#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fj1 s GLN 3 N 0.00 3.43 -0.49 -2.82 -0.21 -1.26 -4.96 119.66 113.35 3fj1 s GLN 3 Ca 0.00 -0.37 -0.03 0.00 0.02 0.00 0.00 55.36 54.98 3fj1 s GLN 3 Cb 0.00 -3.87 0.16 0.00 1.00 0.00 0.00 33.01 30.29 3fj1 s GLN 3 CO 0.00 -0.75 2.47 0.72 -2.12 0.00 0.00 175.29 175.61 3fj1 n HIS 4 N 5.77 1.87 -4.44 0.91 8.25 -1.26 -4.81 115.22 121.51 3fj1 n HIS 4 Ca -0.05 -2.07 -0.34 0.00 -0.26 0.00 0.00 57.72 55.00 3fj1 n HIS 4 Cb 0.48 -1.28 -0.15 0.00 1.12 0.00 0.00 29.99 30.17 3fj1 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fj1 s ILE 5 N -2.78 2.97 0.64 1.59 1.01 -1.26 -5.11 121.20 118.25 3fj1 s ILE 5 Ca 0.53 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 3fj1 s ILE 5 Cb 0.37 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 3fj1 s ILE 5 CO -0.19 0.50 1.08 0.42 0.00 0.00 0.00 174.94 176.75 3fj1 s THR 6 N 0.82 3.58 0.00 2.92 -4.23 -1.26 -4.86 115.64 112.61 3fj1 s THR 6 Ca -0.04 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 3fj1 s THR 6 Cb -0.15 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.44 3fj1 s THR 6 CO 0.01 -0.48 0.00 0.54 -0.54 0.00 0.00 174.62 174.15 3fj1 n ARG 7 N -2.34 0.00 0.00 3.99 1.74 -1.26 -1.11 116.66 117.68 3fj1 n ARG 7 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3fj1 n ARG 7 Cb 0.53 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3fj1 n ARG 7 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3fj1 n ARG 9 N 1.06 0.00 -0.14 5.56 3.00 -1.26 -1.31 116.66 123.57 3fj1 n ARG 9 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 3fj1 n ARG 9 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.51 3fj1 n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3fj1 h ARG 10 N 0.00 0.31 -0.30 -0.14 2.47 -1.45 -0.35 114.38 114.92 3fj1 h ARG 10 Ca 0.00 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 3fj1 h ARG 10 Cb 0.00 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 3fj1 h ARG 10 CO 0.00 0.20 0.06 1.49 0.56 0.00 0.00 179.97 182.28 3fj1 h GLU 11 N 0.32 0.49 -0.58 0.04 4.81 -1.46 -2.13 114.58 116.06 3fj1 h GLU 11 Ca 0.22 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 3fj1 h GLU 11 Cb 0.22 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 3fj1 h GLU 11 CO -0.23 0.57 0.26 0.82 -0.73 0.00 0.00 179.01 179.70 3fj1 h ILE 12 N 0.32 0.87 -0.01 2.32 2.04 -1.73 -1.32 117.51 119.99 3fj1 h ILE 12 Ca 0.09 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3fj1 h ILE 12 Cb 0.32 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3fj1 h ILE 12 CO 0.00 0.09 0.01 0.44 0.00 0.00 0.00 178.15 178.69 3fj1 h ASP 13 N 0.48 0.00 0.64 1.72 3.32 -0.77 -2.15 116.42 119.67 3fj1 h ASP 13 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3fj1 h ASP 13 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3fj1 h ASP 13 CO -0.23 0.00 -0.23 -0.62 -1.72 0.00 0.00 179.24 176.44 3fj1 n GLU 14 N -4.28 0.18 -0.07 3.56 1.02 -0.52 -4.35 120.64 116.18 3fj1 n GLU 14 Ca -0.03 -0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 56.96 3fj1 n GLU 14 Cb 0.10 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 3fj1 n GLU 14 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3fj1 h ILE 15 N 0.16 0.98 -0.73 -3.67 2.04 -1.09 -1.04 117.51 114.15 3fj1 h ILE 15 Ca 0.00 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3fj1 h ILE 15 Cb 0.47 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3fj1 h ILE 15 CO 0.00 0.05 0.45 -0.65 0.00 0.00 0.00 178.15 178.00 3fj1 h PRO 16 N 0.27 0.83 -0.04 2.37 0.11 -1.78 -1.38 132.00 132.38 3fj1 h PRO 16 Ca 0.12 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.06 3fj1 h PRO 16 Cb 0.05 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3fj1 h PRO 16 CO -0.09 0.55 -0.52 1.05 -0.21 0.00 0.00 178.00 178.78 3fj1 h GLU 17 N 0.86 0.12 -0.47 1.05 4.11 -1.78 -1.52 114.58 116.95 3fj1 h GLU 17 Ca 0.31 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 59.61 3fj1 h GLU 17 Cb 0.08 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3fj1 h GLU 17 CO -0.14 0.62 0.07 0.00 0.07 0.00 0.00 179.01 179.63 3fj1 h ALA 18 N 1.37 0.63 -0.40 1.06 0.00 -0.73 -0.53 119.26 120.66 3fj1 h ALA 18 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3fj1 h ALA 18 Cb 0.96 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3fj1 h ALA 18 CO 0.07 0.37 -0.07 0.28 0.00 0.00 0.00 179.25 179.91 3fj1 h VAL 19 N 0.66 1.24 -0.70 0.00 2.07 -1.12 -1.40 116.25 117.00 3fj1 h VAL 19 Ca 0.14 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 3fj1 h VAL 19 Cb 0.41 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3fj1 h VAL 19 CO 0.01 0.35 0.15 -0.61 0.02 0.00 0.00 177.57 177.50 3fj1 h GLN 20 N 0.62 1.14 -0.52 1.57 5.75 -0.92 -0.49 115.11 122.27 3fj1 h GLN 20 Ca 0.12 -0.28 -0.03 0.00 -0.15 0.00 0.00 58.65 58.31 3fj1 h GLN 20 Cb 0.49 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 3fj1 h GLN 20 CO 0.03 1.01 0.21 0.00 -2.65 0.00 0.00 178.83 177.43 3fj1 h ARG 21 N 1.07 0.77 -0.61 1.69 3.08 -0.71 0.12 114.38 119.79 3fj1 h ARG 21 Ca 0.22 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3fj1 h ARG 21 Cb 0.40 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3fj1 h ARG 21 CO 0.01 0.67 0.29 1.25 -1.07 0.00 0.00 179.97 181.12 3fj1 h LEU 22 N 0.69 0.79 -0.54 3.04 5.85 -1.03 0.31 115.31 124.43 3fj1 h LEU 22 Ca 0.17 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 3fj1 h LEU 22 Cb 0.18 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3fj1 h LEU 22 CO -0.02 0.70 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.64 3fj1 h LEU 23 N 0.83 0.99 0.37 2.25 3.38 -0.87 0.18 115.31 122.44 3fj1 h LEU 23 Ca 0.21 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3fj1 h LEU 23 Cb 0.12 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3fj1 h LEU 23 CO -0.03 1.09 -0.18 0.44 0.09 0.00 0.00 178.44 179.86 3fj1 h ASP 24 N 0.87 -0.42 0.43 -0.43 3.32 -0.51 -3.29 116.42 116.39 3fj1 h ASP 24 Ca 0.14 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3fj1 h ASP 24 Cb 0.63 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3fj1 h ASP 24 CO 0.04 0.02 -0.80 1.41 -1.72 0.00 0.00 179.24 178.20 3fj1 n HIS 25 N -5.12 0.16 0.61 4.55 8.25 0.11 -4.21 115.22 119.56 3fj1 n HIS 25 Ca -0.08 0.05 0.09 0.00 -0.26 0.00 0.00 57.72 57.52 3fj1 n HIS 25 Cb 0.26 -0.33 -0.12 0.00 1.12 0.00 0.00 29.99 30.92 3fj1 n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fj1 n GLY 26 N 1.43 -0.84 0.26 -1.41 0.00 0.64 -4.62 105.19 100.65 3fj1 n GLY 26 Ca 0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.50 3fj1 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fj1 h ALA 27 N 2.43 0.86 -0.33 4.61 0.00 -1.62 -1.32 119.26 123.89 3fj1 h ALA 27 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fj1 h ALA 27 Cb 0.60 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3fj1 h ALA 27 CO 0.00 0.18 0.19 -0.56 0.00 0.00 0.00 179.25 179.06 3fj1 h GLN 28 N 0.82 0.45 -0.46 0.00 -0.00 -1.86 0.96 115.11 115.01 3fj1 h GLN 28 Ca 0.26 -0.05 -0.10 0.00 -0.00 0.00 0.00 58.65 58.77 3fj1 h GLN 28 Cb 0.01 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 27.38 3fj1 h GLN 28 CO -0.10 0.36 -0.09 -0.44 -0.00 0.00 0.00 178.83 178.56 3fj1 h ASP 29 N 0.42 0.88 -0.49 0.06 3.32 -1.77 -1.64 116.42 117.21 3fj1 h ASP 29 Ca 0.12 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 3fj1 h ASP 29 Cb 0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3fj1 h ASP 29 CO -0.02 1.03 0.29 0.58 -1.72 0.00 0.00 179.24 179.40 3fj1 h VAL 30 N 0.72 1.15 -0.75 -1.35 2.07 -1.03 -2.17 116.25 114.89 3fj1 h VAL 30 Ca 0.12 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3fj1 h VAL 30 Cb 0.63 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3fj1 h VAL 30 CO 0.04 0.16 0.38 0.00 0.02 0.00 0.00 177.57 178.17 3fj1 h ALA 31 N 1.14 0.97 -0.13 1.67 0.00 -0.68 -0.68 119.26 121.55 3fj1 h ALA 31 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fj1 h ALA 31 Cb -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3fj1 h ALA 31 CO -0.03 0.51 0.04 0.07 0.00 0.00 0.00 179.25 179.85 3fj1 h ARG 32 N 1.05 0.11 -0.66 0.00 0.11 -1.00 -1.54 114.38 112.45 3fj1 h ARG 32 Ca 0.26 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.27 3fj1 h ARG 32 Cb 0.09 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.12 3fj1 h ARG 32 CO -0.04 0.07 0.16 0.28 0.10 0.00 0.00 179.97 180.54 3fj1 h VAL 33 N 0.11 1.26 -0.88 0.08 2.07 -1.16 -1.99 116.25 115.73 3fj1 h VAL 33 Ca 0.06 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3fj1 h VAL 33 Cb 0.03 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3fj1 h VAL 33 CO -0.06 0.36 0.56 0.00 0.02 0.00 0.00 177.57 178.45 3fj1 h ALA 34 N 1.06 1.12 -0.55 1.67 0.00 -1.01 -0.64 119.26 120.91 3fj1 h ALA 34 Ca 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3fj1 h ALA 34 Cb 0.37 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3fj1 h ALA 34 CO 0.00 0.56 0.21 0.00 0.00 0.00 0.00 179.25 180.02 3fj1 h ALA 35 N 1.30 0.71 -0.51 0.00 0.00 -0.92 -0.08 119.26 119.76 3fj1 h ALA 35 Ca 0.32 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3fj1 h ALA 35 Cb -0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3fj1 h ALA 35 CO -0.06 0.33 0.31 0.28 0.00 0.00 0.00 179.25 180.10 3fj1 h VAL 36 N 0.75 1.05 -0.62 0.00 2.07 -0.98 -2.84 116.25 115.68 3fj1 h VAL 36 Ca 0.18 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 3fj1 h VAL 36 Cb 0.21 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3fj1 h VAL 36 CO -0.01 0.11 0.13 -0.07 0.02 0.00 0.00 177.57 177.74 3fj1 h LEU 37 N 0.61 0.96 -1.16 2.57 3.38 -0.77 0.96 115.31 121.86 3fj1 h LEU 37 Ca 0.21 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3fj1 h LEU 37 Cb 0.02 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 3fj1 h LEU 37 CO -0.09 0.96 0.58 0.03 0.09 0.00 0.00 178.44 180.00 3fj1 h ARG 38 N 0.92 1.02 0.01 1.13 3.08 -0.89 0.11 114.38 119.77 3fj1 h ARG 38 Ca 0.19 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3fj1 h ARG 38 Cb 0.39 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.22 3fj1 h ARG 38 CO 0.01 0.68 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.30 3fj1 h LEU 39 N 1.05 0.17 -0.76 3.04 3.38 -1.22 -3.31 115.31 117.66 3fj1 h LEU 39 Ca 0.36 -0.85 0.02 0.00 0.09 0.00 0.00 57.88 57.51 3fj1 h LEU 39 Cb 0.10 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3fj1 h LEU 39 CO -0.12 0.99 0.49 -0.09 0.09 0.00 0.00 178.44 179.80 3fj1 h ARG 40 N -0.64 0.94 -4.85 1.13 9.65 -0.75 -3.48 114.38 116.39 3fj1 h ARG 40 Ca -0.03 -0.06 -0.24 0.00 -1.10 0.00 0.00 59.98 58.55 3fj1 h ARG 40 Cb 1.04 -0.21 0.14 0.00 -1.39 0.00 0.00 29.97 29.54 3fj1 h ARG 40 CO 0.04 0.62 -0.61 -3.47 2.80 0.00 0.00 179.97 179.35 3fj1 n ASP 41 N -4.60 -2.93 -4.73 -3.80 -0.08 0.37 -4.94 116.55 95.84 3fj1 n ASP 41 Ca 0.08 -0.50 -0.36 0.00 -1.51 0.00 0.00 54.79 52.50 3fj1 n ASP 41 Cb 0.06 -4.11 0.08 0.00 2.34 0.00 0.00 41.12 39.49 3fj1 n ASP 41 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3fj1 s PRO 42 N -4.81 2.39 0.00 -0.67 0.04 -1.26 -4.92 135.00 125.78 3fj1 s PRO 42 Ca 0.09 2.01 0.22 0.00 0.04 0.00 0.00 61.00 63.37 3fj1 s PRO 42 Cb -0.01 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 3fj1 s PRO 42 CO 0.57 -1.71 1.04 -1.13 0.04 0.00 0.00 177.00 175.81 3fj1 n SER 43 N -2.15 0.82 -3.58 6.66 3.41 0.10 -4.97 113.62 113.93 3fj1 n SER 43 Ca 0.15 -0.74 -0.09 0.00 -0.26 0.00 0.00 58.87 57.94 3fj1 n SER 43 Cb 0.48 0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 65.22 3fj1 n SER 43 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3fj1 s PHE 44 N -3.02 0.13 0.02 7.33 -0.71 -1.19 -4.43 117.98 116.12 3fj1 s PHE 44 Ca 0.08 -0.61 0.05 0.00 -1.04 0.00 0.00 56.93 55.41 3fj1 s PHE 44 Cb 0.16 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.51 3fj1 s PHE 44 CO 0.82 -1.27 -0.14 0.08 -1.34 0.00 0.00 175.22 173.37 3fj1 s VAL 45 N -3.42 1.14 -0.08 -2.49 1.01 -0.50 -1.86 120.40 114.20 3fj1 s VAL 45 Ca 0.17 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3fj1 s VAL 45 Cb -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.34 3fj1 s VAL 45 CO 0.10 0.11 -0.17 0.00 0.00 0.00 0.00 175.10 175.14 3fj1 s ALA 46 N -0.69 1.64 0.07 5.51 0.00 0.85 -0.32 121.76 128.81 3fj1 s ALA 46 Ca 0.03 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.38 3fj1 s ALA 46 Cb -0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3fj1 s ALA 46 CO 0.01 0.16 -0.02 0.95 0.00 0.00 0.00 175.76 176.86 3fj1 s THR 47 N 0.58 3.95 -0.15 0.00 -4.23 0.54 -0.38 115.64 115.94 3fj1 s THR 47 Ca -0.15 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.42 3fj1 s THR 47 Cb -0.17 -2.84 0.05 0.00 1.34 0.00 0.00 72.50 70.88 3fj1 s THR 47 CO 0.05 0.19 0.00 -0.69 -0.54 0.00 0.00 174.62 173.64 3fj1 s VAL 48 N -1.23 0.63 0.14 2.29 1.01 -0.32 -1.58 120.40 121.34 3fj1 s VAL 48 Ca 0.23 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 61.57 3fj1 s VAL 48 Cb -0.12 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.37 3fj1 s VAL 48 CO 0.15 0.01 0.91 0.00 0.00 0.00 0.00 175.10 176.17 3fj1 s ALA 49 N 1.83 -1.64 0.09 5.51 0.00 -1.26 -1.31 121.76 124.98 3fj1 s ALA 49 Ca 0.01 0.27 -0.07 0.00 0.00 0.00 0.00 51.96 52.17 3fj1 s ALA 49 Cb -0.15 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 3fj1 s ALA 49 CO -0.07 -0.96 0.15 -0.98 0.00 0.00 0.00 175.76 173.90 3fj1 s ARG 50 N -3.34 0.85 5.31 0.00 1.70 -1.26 -4.70 118.95 117.51 3fj1 s ARG 50 Ca 0.10 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.29 3fj1 s ARG 50 Cb -0.02 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.68 3fj1 s ARG 50 CO -0.00 -0.26 0.00 0.41 -1.08 0.00 0.00 175.30 174.37 3fj1 n GLY 51 N -0.05 2.46 0.30 3.88 0.00 -1.26 -2.53 105.19 107.99 3fj1 n GLY 51 Ca -0.13 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.50 3fj1 n GLY 51 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3fj1 h SER 52 N 9.46 0.46 -0.34 1.61 0.87 -1.99 -0.94 113.55 122.67 3fj1 h SER 52 Ca 0.00 -0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.60 3fj1 h SER 52 Cb 0.00 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3fj1 h SER 52 CO 0.00 0.36 0.24 0.28 -0.53 0.00 0.00 176.83 177.18 3fj1 h SER 53 N 0.53 0.16 0.59 6.23 0.02 -1.82 -0.67 113.55 118.58 3fj1 h SER 53 Ca 0.14 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 3fj1 h SER 53 Cb -0.00 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3fj1 h SER 53 CO -0.03 0.11 -0.52 -0.78 -1.14 0.00 0.00 176.83 174.47 3fj1 h ASP 54 N 0.18 0.00 -0.25 3.07 3.58 -1.01 -1.25 116.42 120.74 3fj1 h ASP 54 Ca 0.15 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.49 3fj1 h ASP 54 Cb 0.38 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 3fj1 h ASP 54 CO -0.02 0.52 -0.23 0.45 -2.88 0.00 0.00 179.24 177.07 3fj1 h HIS 55 N 0.00 0.82 -0.30 0.28 3.86 -1.15 -0.48 115.15 118.18 3fj1 h HIS 55 Ca -0.01 -0.19 0.02 0.00 -1.16 0.00 0.00 60.37 59.04 3fj1 h HIS 55 Cb 0.95 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 3fj1 h HIS 55 CO 0.00 0.89 0.15 0.28 0.86 0.00 0.00 177.93 180.11 3fj1 h VAL 56 N 0.63 1.00 -0.95 2.45 2.07 -1.02 -1.52 116.25 118.90 3fj1 h VAL 56 Ca 0.09 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3fj1 h VAL 56 Cb 0.73 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3fj1 h VAL 56 CO 0.06 0.06 0.63 0.00 0.02 0.00 0.00 177.57 178.33 3fj1 h THR 58 N 1.24 1.07 -0.26 0.00 2.02 -0.72 0.23 112.91 116.49 3fj1 h THR 58 Ca 0.36 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.48 3fj1 h THR 58 Cb -0.06 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 3fj1 h THR 58 CO -0.10 0.06 -0.09 0.22 0.37 0.00 0.00 175.52 175.99 3fj1 h TYR 59 N 0.35 -0.19 0.00 3.16 5.03 -0.79 -2.34 116.97 122.18 3fj1 h TYR 59 Ca 0.09 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 3fj1 h TYR 59 Cb -0.04 0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 3fj1 h TYR 59 CO -0.06 -0.14 -0.21 -0.07 -1.32 0.00 0.00 178.16 176.36 3fj1 h LEU 60 N -0.03 0.00 -0.10 2.82 3.38 -0.70 -2.21 115.31 118.46 3fj1 h LEU 60 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3fj1 h LEU 60 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3fj1 h LEU 60 CO -0.28 0.21 -0.04 0.28 0.09 0.00 0.00 178.44 178.70 3fj1 h SER 61 N 0.00 0.21 -0.43 -0.43 0.02 -0.04 0.14 113.55 113.03 3fj1 h SER 61 Ca -0.00 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 60.59 3fj1 h SER 61 Cb 0.45 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3fj1 h SER 61 CO 0.03 0.55 0.22 1.88 -1.14 0.00 0.00 176.83 178.37 3fj1 h TYR 62 N -0.13 0.41 -0.28 3.45 0.05 -1.27 -1.29 116.97 117.91 3fj1 h TYR 62 Ca 0.03 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 3fj1 h TYR 62 Cb 0.46 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3fj1 h TYR 62 CO 0.06 0.22 0.17 0.00 -1.05 0.00 0.00 178.16 177.56 3fj1 h ALA 63 N 1.22 0.36 -0.51 3.88 0.00 -1.18 0.11 119.26 123.13 3fj1 h ALA 63 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3fj1 h ALA 63 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3fj1 h ALA 63 CO -0.12 -0.14 0.23 0.00 0.00 0.00 0.00 179.25 179.22 3fj1 h ALA 64 N 1.07 0.66 -0.29 0.00 0.00 -0.59 0.91 119.26 121.02 3fj1 h ALA 64 Ca 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3fj1 h ALA 64 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3fj1 h ALA 64 CO -0.02 0.24 0.04 0.93 0.00 0.00 0.00 179.25 180.44 3fj1 h GLU 65 N 0.69 0.49 -0.15 0.00 5.08 -0.97 0.97 114.58 120.68 3fj1 h GLU 65 Ca 0.17 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 3fj1 h GLU 65 Cb 0.15 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3fj1 h GLU 65 CO -0.02 0.60 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.02 3fj1 h LEU 66 N 0.30 0.43 0.12 1.33 3.38 -0.70 -1.38 115.31 118.78 3fj1 h LEU 66 Ca 0.09 -0.21 -0.28 0.00 0.09 0.00 0.00 57.88 57.56 3fj1 h LEU 66 Cb 0.36 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3fj1 h LEU 66 CO 0.01 0.86 -1.43 -0.07 0.09 0.00 0.00 178.44 177.90 3fj1 h LEU 67 N 0.31 0.39 -0.20 1.67 3.38 -0.78 -3.41 115.31 116.67 3fj1 h LEU 67 Ca 0.01 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3fj1 h LEU 67 Cb 0.99 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3fj1 h LEU 67 CO 0.09 1.63 -0.26 0.18 0.09 0.00 0.00 178.44 180.17 3fj1 n LEU 68 N -3.91 0.51 -0.10 1.67 4.77 0.30 -5.00 117.00 115.23 3fj1 n LEU 68 Ca -0.25 -0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 55.14 3fj1 n LEU 68 Cb 0.91 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.99 3fj1 n LEU 68 CO 0.41 0.11 -0.01 0.61 -1.33 0.00 0.00 177.39 177.19 3fj1 n GLY 69 N 1.04 0.43 3.67 -0.72 0.00 -0.52 -4.99 105.19 104.10 3fj1 n GLY 69 Ca 0.02 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3fj1 n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fj1 s LEU 70 N -0.31 4.18 0.43 0.99 1.43 -1.21 -4.92 118.68 119.27 3fj1 s LEU 70 Ca 0.00 0.92 -0.24 0.00 -1.03 0.00 0.00 54.13 53.77 3fj1 s LEU 70 Cb 0.00 -2.94 -0.08 0.00 0.03 0.00 0.00 46.19 43.20 3fj1 s LEU 70 CO 0.00 -0.25 1.19 -2.16 0.23 0.00 0.00 176.35 175.35 3fj1 s PRO 71 N 1.74 3.90 -0.16 1.29 0.04 -1.26 -3.74 135.00 136.80 3fj1 s PRO 71 Ca 0.31 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.21 3fj1 s PRO 71 Cb -0.16 -2.56 0.02 0.00 0.04 0.00 0.00 34.50 31.84 3fj1 s PRO 71 CO 0.11 -0.46 -0.19 0.08 0.04 0.00 0.00 177.00 176.59 3fj1 s VAL 72 N -1.45 1.91 -0.18 -0.36 1.01 -1.26 -1.41 120.40 118.66 3fj1 s VAL 72 Ca 0.60 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 3fj1 s VAL 72 Cb -0.31 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3fj1 s VAL 72 CO 0.38 0.52 0.06 0.00 0.00 0.00 0.00 175.10 176.06 3fj1 s ALA 73 N 1.24 3.37 -0.36 5.51 0.00 0.56 -4.98 121.76 127.10 3fj1 s ALA 73 Ca 0.02 -0.77 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 3fj1 s ALA 73 Cb -0.13 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.09 3fj1 s ALA 73 CO -0.10 0.15 0.73 0.45 0.00 0.00 0.00 175.76 176.99 3fj1 s SER 74 N 0.42 6.51 -0.25 0.00 0.15 -1.26 -0.34 113.70 118.92 3fj1 s SER 74 Ca 0.03 0.29 -0.20 0.00 0.70 0.00 0.00 55.95 56.76 3fj1 s SER 74 Cb -0.13 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 3fj1 s SER 74 CO 0.01 -0.68 0.63 -0.76 1.20 0.00 0.00 173.24 173.63 3fj1 s LEU 75 N 2.95 4.06 -0.08 3.45 1.43 -0.61 -4.93 118.68 124.96 3fj1 s LEU 75 Ca 0.29 0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 53.80 3fj1 s LEU 75 Cb -0.14 -2.85 -0.06 0.00 0.03 0.00 0.00 46.19 43.18 3fj1 s LEU 75 CO 0.16 -0.36 1.77 -0.83 0.23 0.00 0.00 176.35 177.31 3fj1 s GLY 76 N 1.46 1.38 0.62 -3.19 0.00 -1.26 -4.73 107.32 101.59 3fj1 s GLY 76 Ca 0.26 0.93 0.31 0.00 0.00 0.00 0.00 44.72 46.22 3fj1 s GLY 76 CO 0.08 3.20 2.08 -2.55 0.00 0.00 0.00 173.10 175.92 3fj1 h PRO 77 N 10.45 0.00 -0.05 2.90 0.11 -1.92 -0.31 132.00 143.18 3fj1 h PRO 77 Ca -0.41 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.72 3fj1 h PRO 77 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fj1 h PRO 77 CO 0.96 0.00 0.04 0.66 -0.21 0.00 0.00 178.00 179.45 3fj1 h SER 78 N 0.00 0.00 -0.92 -2.05 4.64 -1.90 -1.29 113.55 112.03 3fj1 h SER 78 Ca 0.07 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.57 3fj1 h SER 78 Cb 0.52 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.53 3fj1 h SER 78 CO -0.00 0.00 0.60 0.58 -0.87 0.00 0.00 176.83 177.13 3fj1 h VAL 79 N 0.00 0.72 0.00 0.95 2.07 -1.43 0.28 116.25 118.84 3fj1 h VAL 79 Ca 0.02 -0.19 -0.16 0.00 0.82 0.00 0.00 66.70 67.19 3fj1 h VAL 79 Cb 0.10 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 3fj1 h VAL 79 CO -0.00 0.10 -0.99 0.00 0.02 0.00 0.00 177.57 176.70 3fj1 h ALA 80 N 1.61 0.19 0.00 1.67 0.00 -1.47 -1.11 119.26 120.14 3fj1 h ALA 80 Ca 0.49 -0.99 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 3fj1 h ALA 80 Cb 1.00 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3fj1 h ALA 80 CO -0.22 0.60 -0.36 0.66 0.00 0.00 0.00 179.25 179.92 3fj1 h SER 81 N -1.00 0.00 0.00 0.00 4.64 -1.11 -1.56 113.55 114.52 3fj1 h SER 81 Ca -0.24 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.79 3fj1 h SER 81 Cb 1.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 3fj1 h SER 81 CO -0.15 0.36 -1.90 0.52 -0.87 0.00 0.00 176.83 174.79 3fj1 n VAL 82 N -3.44 1.14 0.56 0.95 0.31 0.00 -4.79 118.33 113.06 3fj1 n VAL 82 Ca 0.00 -0.20 0.11 0.00 -0.01 0.00 0.00 64.34 64.24 3fj1 n VAL 82 Cb 0.53 -1.82 0.06 0.00 -0.91 0.00 0.00 33.84 31.70 3fj1 n VAL 82 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3fj1 n TYR 83 N -3.93 0.35 -4.30 3.52 4.01 -0.70 -4.98 117.16 111.13 3fj1 n TYR 83 Ca -0.35 0.10 -0.33 0.00 -0.16 0.00 0.00 57.90 57.16 3fj1 n TYR 83 Cb 0.72 -0.50 -0.07 0.00 -0.31 0.00 0.00 39.34 39.17 3fj1 n TYR 83 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3fj1 n ASP 84 N -2.01 -0.34 -4.78 7.72 2.03 -0.59 -4.90 116.55 113.67 3fj1 n ASP 84 Ca 0.02 -1.20 -0.34 0.00 0.52 0.00 0.00 54.79 53.79 3fj1 n ASP 84 Cb 0.44 -1.96 0.01 0.00 -0.72 0.00 0.00 41.12 38.89 3fj1 n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fj1 s ALA 85 N -3.94 2.67 -0.34 -1.67 0.00 -0.47 -4.99 121.76 113.02 3fj1 s ALA 85 Ca 0.27 0.63 -0.13 0.00 0.00 0.00 0.00 51.96 52.74 3fj1 s ALA 85 Cb -0.16 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 3fj1 s ALA 85 CO 0.98 -0.85 0.24 1.03 0.00 0.00 0.00 175.76 177.16 3fj1 s ARG 86 N -3.65 3.53 0.13 0.00 1.81 -1.26 -4.86 118.95 114.65 3fj1 s ARG 86 Ca 0.69 -0.62 0.04 0.00 -1.72 0.00 0.00 55.73 54.11 3fj1 s ARG 86 Cb -0.20 -3.80 -0.04 0.00 -0.45 0.00 0.00 34.95 30.46 3fj1 s ARG 86 CO 0.32 -0.43 0.14 -0.51 -0.68 0.00 0.00 175.30 174.14 3fj1 s LEU 87 N 1.73 3.90 -0.91 2.53 1.43 -1.26 -5.05 118.68 121.04 3fj1 s LEU 87 Ca 0.06 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.93 3fj1 s LEU 87 Cb -0.17 -2.53 0.10 0.00 0.03 0.00 0.00 46.19 43.61 3fj1 s LEU 87 CO 0.11 0.11 1.19 -0.13 0.23 0.00 0.00 176.35 177.86 3fj1 s ARG 88 N -2.83 3.52 -0.18 1.70 0.52 -1.26 -4.78 118.95 115.64 3fj1 s ARG 88 Ca 0.31 -1.42 0.15 0.00 -0.52 0.00 0.00 55.73 54.25 3fj1 s ARG 88 Cb -0.11 -4.92 0.37 0.00 0.52 0.00 0.00 34.95 30.81 3fj1 s ARG 88 CO 0.24 -1.90 1.22 1.28 0.02 0.00 0.00 175.30 176.15 3fj1 n LEU 89 N 7.40 2.70 0.10 2.53 4.77 -0.89 -4.78 117.00 128.84 3fj1 n LEU 89 Ca 0.22 -3.46 0.05 0.00 -0.03 0.00 0.00 56.01 52.79 3fj1 n LEU 89 Cb 0.49 -0.49 0.50 0.00 -2.33 0.00 0.00 43.42 41.59 3fj1 n LEU 89 CO 0.57 1.02 1.13 0.44 -1.33 0.00 0.00 177.39 179.22 3fj1 h ASP 90 N 0.57 0.30 -0.81 -1.43 3.32 -1.74 -2.23 116.42 114.40 3fj1 h ASP 90 Ca 0.02 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 3fj1 h ASP 90 Cb 1.07 -0.07 -0.20 0.00 0.22 0.00 0.00 39.33 40.35 3fj1 h ASP 90 CO 0.04 0.22 0.40 0.54 -1.72 0.00 0.00 179.24 178.72 3fj1 n ARG 91 N -4.50 3.00 -4.37 3.56 3.00 -1.26 -4.76 116.66 111.33 3fj1 n ARG 91 Ca 0.01 -3.06 -0.29 0.00 -0.01 0.00 0.00 57.85 54.49 3fj1 n ARG 91 Cb 0.07 -2.17 -0.12 0.00 0.00 0.00 0.00 32.46 30.24 3fj1 n ARG 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3fj1 s ALA 92 N -3.14 2.61 -0.13 7.54 0.00 -0.87 0.03 121.76 127.80 3fj1 s ALA 92 Ca 0.55 -1.36 -0.19 0.00 0.00 0.00 0.00 51.96 50.96 3fj1 s ALA 92 Cb 0.45 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3fj1 s ALA 92 CO 0.12 0.58 0.54 -1.17 0.00 0.00 0.00 175.76 175.83 3fj1 s LEU 93 N -2.04 4.24 -0.32 0.00 2.96 -0.77 -1.02 118.68 121.74 3fj1 s LEU 93 Ca 0.17 0.86 -0.08 0.00 -0.22 0.00 0.00 54.13 54.86 3fj1 s LEU 93 Cb -0.10 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 43.80 3fj1 s LEU 93 CO 0.09 -0.09 0.12 0.00 -1.32 0.00 0.00 176.35 175.15 3fj1 s LEU 95 N 1.53 3.96 -0.16 0.00 2.96 0.49 -0.93 118.68 126.53 3fj1 s LEU 95 Ca 0.03 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 3fj1 s LEU 95 Cb -0.18 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3fj1 s LEU 95 CO 0.04 -0.19 0.02 0.00 -1.32 0.00 0.00 176.35 174.90 3fj1 s ALA 96 N 1.56 3.25 -0.14 5.97 0.00 -0.36 -1.17 121.76 130.87 3fj1 s ALA 96 Ca 0.04 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3fj1 s ALA 96 Cb -0.17 -1.73 0.02 0.00 0.00 0.00 0.00 23.12 21.24 3fj1 s ALA 96 CO 0.04 0.26 -0.17 0.08 0.00 0.00 0.00 175.76 175.98 3fj1 s VAL 97 N 0.16 1.71 -0.28 0.00 1.01 -0.43 -0.54 120.40 122.04 3fj1 s VAL 97 Ca 0.02 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 3fj1 s VAL 97 Cb -0.13 -1.56 0.09 0.00 0.00 0.00 0.00 36.38 34.78 3fj1 s VAL 97 CO 0.01 0.48 0.70 -0.55 0.00 0.00 0.00 175.10 175.74 3fj1 s SER 98 N 1.22 -0.96 0.07 3.32 0.15 -0.74 -4.51 113.70 112.25 3fj1 s SER 98 Ca 0.00 1.49 -0.31 0.00 0.70 0.00 0.00 55.95 57.83 3fj1 s SER 98 Cb -0.14 1.53 -0.18 0.00 -1.71 0.00 0.00 66.02 65.52 3fj1 s SER 98 CO -0.07 -0.23 1.60 -0.61 1.20 0.00 0.00 173.24 175.13 3fj1 h GLN 99 N 7.12 -0.75 0.00 5.44 -0.00 -1.95 -3.29 115.11 121.67 3fj1 h GLN 99 Ca -0.28 0.05 -0.08 0.00 -0.00 0.00 0.00 58.65 58.35 3fj1 h GLN 99 Cb 1.21 0.17 -0.01 0.00 0.00 0.00 0.00 27.48 28.85 3fj1 h GLN 99 CO 0.15 -0.49 -1.29 -1.13 0.00 0.00 0.00 178.83 176.07 3fj1 n SER 100 N -5.42 0.76 -1.62 -0.69 3.41 -1.26 -1.06 113.62 107.75 3fj1 n SER 100 Ca -0.13 0.31 -0.16 0.00 -0.26 0.00 0.00 58.87 58.63 3fj1 n SER 100 Cb 0.33 0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.73 3fj1 n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fj1 n GLY 101 N 1.29 0.40 0.07 5.00 0.00 -1.24 -4.71 105.19 105.99 3fj1 n GLY 101 Ca -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 3fj1 n GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fj1 n LYS 102 N -2.54 0.82 -1.50 1.61 5.02 -1.26 -0.96 118.16 119.35 3fj1 n LYS 102 Ca -0.18 -0.06 -0.54 0.00 -2.02 0.00 0.00 58.31 55.51 3fj1 n LYS 102 Cb 0.60 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 34.05 3fj1 n LYS 102 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3fj1 n SER 103 N -2.57 2.05 -0.29 4.39 2.88 -1.26 -4.85 113.62 113.98 3fj1 n SER 103 Ca -0.23 0.64 0.12 0.00 -1.33 0.00 0.00 58.87 58.07 3fj1 n SER 103 Cb 0.96 -1.18 0.36 0.00 -0.75 0.00 0.00 64.21 63.59 3fj1 n SER 103 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3fj1 h PRO 104 N 10.44 0.71 -0.39 -1.46 0.11 -1.98 -0.08 132.00 139.35 3fj1 h PRO 104 Ca -0.30 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 3fj1 h PRO 104 Cb 1.33 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3fj1 h PRO 104 CO 1.01 0.47 0.06 -0.44 -0.21 0.00 0.00 178.00 178.88 3fj1 h ASP 105 N 0.73 0.62 -0.51 -2.05 3.32 -1.95 0.28 116.42 116.86 3fj1 h ASP 105 Ca 0.47 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 3fj1 h ASP 105 Cb 0.73 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3fj1 h ASP 105 CO -0.23 0.73 0.00 0.40 -1.72 0.00 0.00 179.24 178.42 3fj1 h ILE 106 N 0.49 1.26 -0.67 0.35 1.08 -1.77 -2.93 117.51 115.32 3fj1 h ILE 106 Ca 0.12 -1.08 -0.04 0.00 -0.39 0.00 0.00 64.86 63.47 3fj1 h ILE 106 Cb 0.38 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 3fj1 h ILE 106 CO 0.01 0.38 0.28 0.58 -0.69 0.00 0.00 178.15 178.71 3fj1 h VAL 107 N 0.76 1.24 0.00 1.67 2.07 -0.82 -1.95 116.25 119.23 3fj1 h VAL 107 Ca 0.14 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3fj1 h VAL 107 Cb 0.52 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3fj1 h VAL 107 CO 0.03 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.91 3fj1 n ALA 108 N -2.39 1.39 0.00 1.67 0.00 0.95 -0.90 120.51 121.24 3fj1 n ALA 108 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3fj1 n ALA 108 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3fj1 n ALA 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fj1 n THR 110 N 0.45 0.00 0.14 0.00 -1.04 -0.73 -1.14 114.28 111.96 3fj1 n THR 110 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 3fj1 n THR 110 Cb 0.06 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.50 3fj1 n THR 110 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3fj1 h ARG 111 N 0.00 -0.31 -0.86 -2.82 2.43 -1.25 -1.80 114.38 109.76 3fj1 h ARG 111 Ca 0.00 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3fj1 h ARG 111 Cb 0.00 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3fj1 h ARG 111 CO 0.00 -0.21 0.48 -0.91 -1.51 0.00 0.00 179.97 177.82 3fj1 h ASN 112 N -0.32 1.07 -0.70 -3.80 4.21 -1.37 -1.60 115.58 113.06 3fj1 h ASN 112 Ca -0.02 -0.09 0.01 0.00 1.21 0.00 0.00 56.30 57.42 3fj1 h ASN 112 Cb 0.27 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 37.16 3fj1 h ASN 112 CO 0.02 0.85 0.45 0.00 -1.29 0.00 0.00 177.43 177.46 3fj1 h ALA 113 N 1.32 0.89 -0.24 -0.83 0.00 -1.74 -0.10 119.26 118.56 3fj1 h ALA 113 Ca 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3fj1 h ALA 113 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3fj1 h ALA 113 CO -0.05 0.28 0.13 0.78 0.00 0.00 0.00 179.25 180.39 3fj1 h GLY 114 N 0.92 0.36 0.40 0.00 0.00 -0.98 -0.40 103.07 103.37 3fj1 h GLY 114 Ca 0.26 -0.17 0.15 0.00 0.00 0.00 0.00 47.33 47.58 3fj1 h GLY 114 CO -0.07 0.16 0.61 -0.09 0.00 0.00 0.00 176.54 177.14 3fj1 h ARG 115 N 0.28 0.78 -0.57 4.80 2.43 -0.74 -1.76 114.38 119.61 3fj1 h ARG 115 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3fj1 h ARG 115 Cb 0.07 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3fj1 h ARG 115 CO -0.01 0.52 0.00 -0.25 -1.51 0.00 0.00 179.97 178.72 3fj1 n ASP 116 N -4.62 3.14 0.00 -3.80 8.00 -0.10 -4.91 116.55 114.26 3fj1 n ASP 116 Ca 0.19 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.58 3fj1 n ASP 116 Cb 0.46 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3fj1 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fj1 n GLY 117 N 1.21 0.82 3.81 0.44 0.00 -0.66 -2.09 105.19 108.72 3fj1 n GLY 117 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3fj1 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fj1 s ALA 118 N -2.00 2.90 -0.39 4.61 0.00 -0.23 -4.28 121.76 122.38 3fj1 s ALA 118 Ca 0.00 0.46 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 3fj1 s ALA 118 Cb 0.00 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.93 3fj1 s ALA 118 CO 0.00 -0.33 0.83 -1.17 0.00 0.00 0.00 175.76 175.09 3fj1 s LEU 119 N -3.74 4.11 -0.22 0.00 2.96 -0.19 -4.37 118.68 117.23 3fj1 s LEU 119 Ca 0.64 0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 54.69 3fj1 s LEU 119 Cb -0.14 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 3fj1 s LEU 119 CO 0.24 -0.83 0.35 0.00 -1.32 0.00 0.00 176.35 174.79 3fj1 s VAL 121 N 1.45 1.51 -0.13 0.00 1.01 -0.11 -1.03 120.40 123.10 3fj1 s VAL 121 Ca 0.16 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3fj1 s VAL 121 Cb -0.15 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3fj1 s VAL 121 CO 0.08 0.44 0.01 0.00 0.00 0.00 0.00 175.10 175.62 3fj1 s ALA 122 N 0.81 3.23 -0.31 5.51 0.00 0.24 -1.22 121.76 130.02 3fj1 s ALA 122 Ca -0.10 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 3fj1 s ALA 122 Cb -0.16 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.36 3fj1 s ALA 122 CO 0.01 0.37 0.10 -0.51 0.00 0.00 0.00 175.76 175.74 3fj1 s LEU 123 N -0.19 4.04 0.13 0.00 1.43 0.30 -0.43 118.68 123.96 3fj1 s LEU 123 Ca 0.05 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 3fj1 s LEU 123 Cb -0.12 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.21 3fj1 s LEU 123 CO 0.02 -0.24 0.29 0.28 0.23 0.00 0.00 176.35 176.94 3fj1 s THR 124 N 1.49 0.10 -2.34 5.49 -1.32 -0.86 -1.80 115.64 116.40 3fj1 s THR 124 Ca 0.02 -1.05 0.22 0.00 -1.21 0.00 0.00 61.69 59.67 3fj1 s THR 124 Cb -0.18 -1.44 0.45 0.00 -1.51 0.00 0.00 72.50 69.82 3fj1 s THR 124 CO 0.03 -0.43 1.45 -3.20 -2.21 0.00 0.00 174.62 170.25 3fj1 n ASN 125 N -0.16 2.89 -3.58 8.08 5.15 -0.22 -1.06 115.26 126.35 3fj1 n ASN 125 Ca -0.13 -1.92 -0.29 0.00 -0.60 0.00 0.00 54.58 51.64 3fj1 n ASN 125 Cb 0.63 -0.23 -0.15 0.00 -0.53 0.00 0.00 39.78 39.50 3fj1 n ASN 125 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3fj1 s ASP 126 N -1.43 3.62 0.00 1.20 -1.08 -1.22 -4.92 116.67 112.85 3fj1 s ASP 126 Ca 0.37 -1.37 0.18 0.00 -0.52 0.00 0.00 52.55 51.20 3fj1 s ASP 126 Cb 0.21 -0.45 0.88 0.00 -1.46 0.00 0.00 42.92 42.10 3fj1 s ASP 126 CO 0.29 -0.43 1.54 0.00 0.52 0.00 0.00 175.17 177.09 3fj1 n ALA 127 N 5.15 1.95 -0.44 3.66 0.00 -1.26 -2.56 120.51 127.00 3fj1 n ALA 127 Ca -0.05 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.38 3fj1 n ALA 127 Cb 0.42 -1.29 0.21 0.00 0.00 0.00 0.00 19.45 18.79 3fj1 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fj1 n ALA 128 N -1.31 2.48 -1.62 0.00 0.00 -1.26 -4.82 120.51 113.98 3fj1 n ALA 128 Ca 0.08 -1.50 -0.30 0.00 0.00 0.00 0.00 53.44 51.72 3fj1 n ALA 128 Cb 0.15 -0.58 0.07 0.00 0.00 0.00 0.00 19.45 19.08 3fj1 n ALA 128 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fj1 s SER 129 N -1.23 5.01 0.27 0.00 1.04 -1.06 -4.88 113.70 112.85 3fj1 s SER 129 Ca 0.32 1.40 -0.00 0.00 0.48 0.00 0.00 55.95 58.14 3fj1 s SER 129 Cb 0.20 -2.20 0.57 0.00 0.10 0.00 0.00 66.02 64.68 3fj1 s SER 129 CO 0.16 -1.65 1.75 -0.65 0.98 0.00 0.00 173.24 173.83 3fj1 h PRO 130 N -0.86 0.56 -0.52 4.02 0.11 -1.85 -1.86 132.00 131.60 3fj1 h PRO 130 Ca -0.45 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3fj1 h PRO 130 Cb 1.24 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3fj1 h PRO 130 CO 0.59 0.37 0.29 1.25 -0.21 0.00 0.00 178.00 180.29 3fj1 h LEU 131 N 0.57 0.45 -1.18 2.35 5.85 -1.40 -1.34 115.31 120.61 3fj1 h LEU 131 Ca 0.48 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.23 3fj1 h LEU 131 Cb 0.73 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3fj1 h LEU 131 CO -0.39 0.31 0.55 0.00 -0.34 0.00 0.00 178.44 178.57 3fj1 h ALA 132 N 1.25 1.43 0.00 1.25 0.00 -1.63 -2.20 119.26 119.36 3fj1 h ALA 132 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3fj1 h ALA 132 Cb 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3fj1 h ALA 132 CO -0.12 0.51 0.00 0.78 0.00 0.00 0.00 179.25 180.42 3fj1 h GLY 133 N 1.10 0.00 -1.32 0.00 0.00 -0.50 -2.28 103.07 100.07 3fj1 h GLY 133 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3fj1 h GLY 133 CO -0.08 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.79 3fj1 n VAL 134 N -3.07 1.06 -4.39 4.60 0.24 -0.85 -4.99 118.33 110.93 3fj1 n VAL 134 Ca -0.02 -1.04 -0.32 0.00 -2.04 0.00 0.00 64.34 60.92 3fj1 n VAL 134 Cb 0.11 0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 32.85 3fj1 n VAL 134 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3fj1 s SER 135 N -1.04 4.72 0.21 -1.34 0.01 -0.86 -4.52 113.70 110.87 3fj1 s SER 135 Ca 0.25 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.35 3fj1 s SER 135 Cb 0.13 -1.12 0.16 0.00 0.21 0.00 0.00 66.02 65.41 3fj1 s SER 135 CO 0.16 0.27 1.53 0.00 0.41 0.00 0.00 173.24 175.61 3fj1 h ALA 136 N 4.37 0.76 -3.71 1.44 0.00 -1.37 -3.45 119.26 117.30 3fj1 h ALA 136 Ca -0.48 -0.50 -0.28 0.00 0.00 0.00 0.00 54.91 53.65 3fj1 h ALA 136 Cb 1.17 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.60 3fj1 h ALA 136 CO 0.55 0.68 -0.74 -1.01 0.00 0.00 0.00 179.25 178.73 3fj1 s HIS 137 N -4.03 0.35 -0.08 0.00 3.76 -0.85 -5.04 115.29 109.40 3fj1 s HIS 137 Ca -0.07 -0.14 0.03 0.00 -0.15 0.00 0.00 55.06 54.73 3fj1 s HIS 137 Cb 0.12 -0.22 0.01 0.00 1.11 0.00 0.00 32.58 33.59 3fj1 s HIS 137 CO 0.83 -0.03 -0.16 0.99 -0.85 0.00 0.00 174.74 175.52 3fj1 s THR 138 N -0.32 1.43 -0.33 1.30 2.01 -1.26 -0.59 115.64 117.88 3fj1 s THR 138 Ca -0.01 -0.65 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 3fj1 s THR 138 Cb -0.03 -1.28 0.04 0.00 0.01 0.00 0.00 72.50 71.24 3fj1 s THR 138 CO -0.00 0.42 0.08 -0.63 -0.69 0.00 0.00 174.62 173.80 3fj1 s ILE 139 N 0.58 3.62 0.03 1.82 1.01 0.43 -4.95 121.20 123.75 3fj1 s ILE 139 Ca -0.16 -1.16 -0.30 0.00 0.00 0.00 0.00 60.65 59.03 3fj1 s ILE 139 Cb -0.16 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.20 3fj1 s ILE 139 CO 0.05 -0.15 1.33 -0.62 0.00 0.00 0.00 174.94 175.56 3fj1 s ASP 140 N 1.38 6.92 0.00 3.58 -1.08 -1.26 -2.02 116.67 124.19 3fj1 s ASP 140 Ca -0.02 2.11 0.28 0.00 -0.52 0.00 0.00 52.55 54.39 3fj1 s ASP 140 Cb -0.19 -2.57 0.98 0.00 -1.46 0.00 0.00 42.92 39.68 3fj1 s ASP 140 CO 0.02 -0.63 1.75 2.30 0.52 0.00 0.00 175.17 179.12 3fj1 n ILE 141 N 4.33 0.00 -3.78 4.11 -5.35 -0.23 -4.89 119.36 113.56 3fj1 n ILE 141 Ca 0.12 -0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.33 3fj1 n ILE 141 Cb 0.44 -0.23 0.04 0.00 -1.74 0.00 0.00 39.64 38.15 3fj1 n ILE 141 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3fj1 n HIS 142 N -1.50 -2.41 0.09 4.28 8.25 -1.26 -4.66 115.22 118.02 3fj1 n HIS 142 Ca 0.07 0.93 -0.09 0.00 -0.26 0.00 0.00 57.72 58.37 3fj1 n HIS 142 Cb 0.34 -4.38 -0.03 0.00 1.12 0.00 0.00 29.99 27.04 3fj1 n HIS 142 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fj1 h ALA 143 N 0.96 0.47 0.00 -1.41 0.00 -1.88 -3.42 119.26 113.98 3fj1 h ALA 143 Ca -0.58 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.56 3fj1 h ALA 143 Cb 1.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3fj1 h ALA 143 CO 0.62 0.97 0.00 0.41 0.00 0.00 0.00 179.25 181.25 3fj1 n GLY 144 N 0.99 -2.40 3.83 0.00 0.00 -1.26 -4.88 105.19 101.47 3fj1 n GLY 144 Ca -0.03 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 3fj1 n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fj1 s PRO 145 N -0.38 4.01 -0.63 1.61 0.04 -1.26 -4.98 135.00 133.42 3fj1 s PRO 145 Ca 0.00 1.03 -0.23 0.00 0.04 0.00 0.00 61.00 61.84 3fj1 s PRO 145 Cb 0.00 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.45 3fj1 s PRO 145 CO 0.00 -0.22 0.98 -1.21 0.04 0.00 0.00 177.00 176.59 3fj1 s GLU 146 N -3.75 3.19 0.00 4.56 2.02 -1.26 -4.92 118.70 118.54 3fj1 s GLU 146 Ca 0.60 -0.60 0.25 0.00 0.02 0.00 0.00 54.97 55.25 3fj1 s GLU 146 Cb -0.10 -4.16 0.69 0.00 0.10 0.00 0.00 34.13 30.65 3fj1 s GLU 146 CO 0.25 -1.73 1.54 1.28 0.02 0.00 0.00 175.26 176.62 3fj1 n LEU 147 N 7.75 2.17 -4.00 1.80 4.32 -1.26 -4.88 117.00 122.90 3fj1 n LEU 147 Ca -0.01 -0.79 -0.10 0.00 -0.02 0.00 0.00 56.01 55.08 3fj1 n LEU 147 Cb 0.46 -0.05 -0.11 0.00 -1.62 0.00 0.00 43.42 42.10 3fj1 n LEU 147 CO 0.64 0.40 -0.37 -0.55 -1.22 0.00 0.00 177.39 176.29 3fj1 s SER 148 N -1.85 0.42 0.57 -1.43 0.15 -1.26 -4.84 113.70 105.46 3fj1 s SER 148 Ca 0.34 -0.52 0.33 0.00 0.70 0.00 0.00 55.95 56.81 3fj1 s SER 148 Cb 0.20 0.08 1.70 0.00 -1.71 0.00 0.00 66.02 66.30 3fj1 s SER 148 CO 0.31 -0.27 2.14 -0.37 1.20 0.00 0.00 173.24 176.25 3fj1 h VAL 149 N 4.60 0.33 -0.23 4.45 -1.51 -1.89 -1.75 116.25 120.24 3fj1 h VAL 149 Ca -0.33 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3fj1 h VAL 149 Cb 1.21 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 3fj1 h VAL 149 CO 0.41 0.06 0.15 0.00 -1.23 0.00 0.00 177.57 176.96 3fj1 h ALA 150 N 1.94 1.85 -6.58 5.19 0.00 -1.93 -3.46 119.26 116.27 3fj1 h ALA 150 Ca -0.00 -0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 3fj1 h ALA 150 Cb 0.26 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 3fj1 h ALA 150 CO 0.01 0.14 -0.87 0.00 0.00 0.00 0.00 179.25 178.53 3fj1 n ALA 151 N -2.51 -1.74 0.03 0.00 0.00 -0.66 -4.87 120.51 110.76 3fj1 n ALA 151 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 3fj1 n ALA 151 Cb 0.08 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.29 3fj1 n ALA 151 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3fj1 h THR 152 N -1.75 1.35 -0.50 0.00 1.35 -1.89 -2.89 112.91 108.58 3fj1 h THR 152 Ca -0.62 -2.13 -0.11 0.00 -0.55 0.00 0.00 66.41 63.00 3fj1 h THR 152 Cb 1.38 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 69.89 3fj1 h THR 152 CO 0.68 0.65 -0.13 0.11 -0.25 0.00 0.00 175.52 176.57 3fj1 h LYS 153 N 0.34 0.95 -0.06 4.72 1.57 -1.89 -2.10 116.57 120.10 3fj1 h LYS 153 Ca -0.04 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.40 3fj1 h LYS 153 Cb 1.36 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 3fj1 h LYS 153 CO 0.14 1.02 -0.04 1.15 -0.57 0.00 0.00 179.45 181.15 3fj1 h THR 154 N 0.85 0.88 0.18 -0.16 2.02 -1.89 0.10 112.91 114.89 3fj1 h THR 154 Ca 0.13 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.31 3fj1 h THR 154 Cb 0.68 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3fj1 h THR 154 CO 0.05 0.00 -0.19 0.15 0.37 0.00 0.00 175.52 175.90 3fj1 h PHE 155 N -0.05 -0.49 -0.04 3.16 3.57 -1.39 -1.51 116.94 120.19 3fj1 h PHE 155 Ca 0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3fj1 h PHE 155 Cb 0.10 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3fj1 h PHE 155 CO -0.14 -0.28 0.01 0.28 -2.23 0.00 0.00 178.31 175.96 3fj1 h VAL 156 N -0.40 1.16 -0.34 1.41 2.07 -1.27 -2.04 116.25 116.84 3fj1 h VAL 156 Ca 0.00 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 3fj1 h VAL 156 Cb 0.38 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3fj1 h VAL 156 CO -0.05 0.13 -0.16 0.71 0.02 0.00 0.00 177.57 178.22 3fj1 h THR 157 N -0.11 1.25 -0.19 2.57 1.35 -1.01 0.74 112.91 117.51 3fj1 h THR 157 Ca 0.01 -1.16 -0.00 0.00 -0.55 0.00 0.00 66.41 64.71 3fj1 h THR 157 Cb 0.19 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 3fj1 h THR 157 CO -0.00 0.38 0.11 0.28 -0.25 0.00 0.00 175.52 176.04 3fj1 h SER 158 N 0.56 0.24 -0.42 5.36 0.02 -1.21 0.66 113.55 118.75 3fj1 h SER 158 Ca 0.09 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3fj1 h SER 158 Cb 0.59 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3fj1 h SER 158 CO 0.04 0.25 0.06 0.00 -1.14 0.00 0.00 176.83 176.04 3fj1 h ALA 159 N 1.00 0.56 -0.52 3.77 0.00 -1.06 -2.07 119.26 120.96 3fj1 h ALA 159 Ca 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3fj1 h ALA 159 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3fj1 h ALA 159 CO -0.01 0.29 0.33 0.28 0.00 0.00 0.00 179.25 180.14 3fj1 h VAL 160 N 0.56 1.11 -0.84 0.00 2.07 -0.69 0.48 116.25 118.94 3fj1 h VAL 160 Ca 0.13 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.49 3fj1 h VAL 160 Cb 0.39 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 3fj1 h VAL 160 CO 0.01 0.12 0.51 0.00 0.02 0.00 0.00 177.57 178.23 3fj1 h ALA 161 N 1.20 1.16 -0.29 1.67 0.00 -0.74 -2.42 119.26 119.85 3fj1 h ALA 161 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3fj1 h ALA 161 Cb -0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3fj1 h ALA 161 CO -0.06 0.21 -0.28 0.78 0.00 0.00 0.00 179.25 179.91 3fj1 h GLY 162 N 0.90 0.76 -2.31 0.00 0.00 -0.84 -2.19 103.07 99.38 3fj1 h GLY 162 Ca 0.38 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3fj1 h GLY 162 CO -0.19 0.69 0.00 1.04 0.00 0.00 0.00 176.54 178.08 3fj1 n LEU 163 N -4.28 1.26 0.00 3.11 4.77 0.11 -1.56 117.00 120.42 3fj1 n LEU 163 Ca -0.04 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3fj1 n LEU 163 Cb 0.46 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3fj1 n LEU 163 CO 0.45 0.22 0.00 -0.11 -1.33 0.00 0.00 177.39 176.61 3fj1 n LEU 165 N 1.01 0.00 -0.20 2.23 7.94 -0.82 -0.31 117.00 126.85 3fj1 n LEU 165 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 3fj1 n LEU 165 Cb 0.18 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.27 3fj1 n LEU 165 CO 0.00 0.00 1.02 -0.07 -1.11 0.00 0.00 177.39 177.23 3fj1 h LEU 166 N 0.00 0.92 -0.54 -1.96 3.38 -1.57 0.27 115.31 115.81 3fj1 h LEU 166 Ca 0.00 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3fj1 h LEU 166 Cb 0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3fj1 h LEU 166 CO 0.00 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.38 3fj1 h ALA 167 N 1.27 0.73 -0.18 1.53 0.00 -0.92 0.15 119.26 121.84 3fj1 h ALA 167 Ca 0.22 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3fj1 h ALA 167 Cb 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3fj1 h ALA 167 CO -0.01 0.55 -0.11 -0.44 0.00 0.00 0.00 179.25 179.24 3fj1 h ASP 168 N 0.83 0.40 -0.42 0.00 3.32 -1.75 0.16 116.42 118.97 3fj1 h ASP 168 Ca 0.15 -0.43 0.07 0.00 0.02 0.00 0.00 57.03 56.84 3fj1 h ASP 168 Cb 0.53 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 3fj1 h ASP 168 CO 0.03 0.75 0.05 -0.25 -1.72 0.00 0.00 179.24 178.10 3fj1 h TRP 169 N 0.06 0.08 0.00 4.55 2.91 -0.79 -1.74 115.95 121.02 3fj1 h TRP 169 Ca 0.04 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.08 3fj1 h TRP 169 Cb 0.60 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 3fj1 h TRP 169 CO 0.07 -0.03 0.00 0.00 -1.03 0.00 0.00 178.44 177.45 3fj1 h ALA 170 N 1.34 1.00 -5.86 2.65 0.00 -0.67 -3.47 119.26 114.25 3fj1 h ALA 170 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.73 3fj1 h ALA 170 Cb 0.27 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.18 3fj1 h ALA 170 CO -0.30 0.00 -0.76 0.39 0.00 0.00 0.00 179.25 178.59 3fj1 n GLU 171 N -2.44 -6.52 -3.22 0.00 1.02 0.39 -4.96 120.64 104.91 3fj1 n GLU 171 Ca 0.04 0.77 -0.45 0.00 -0.02 0.00 0.00 57.16 57.50 3fj1 n GLU 171 Cb 0.37 -5.70 -0.05 0.00 -0.02 0.00 0.00 31.44 26.04 3fj1 n GLU 171 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3fj1 s ASP 172 N -3.99 6.19 0.32 1.62 -1.08 -0.24 -4.93 116.67 114.55 3fj1 s ASP 172 Ca 0.22 -1.50 0.07 0.00 -0.52 0.00 0.00 52.55 50.82 3fj1 s ASP 172 Cb -0.10 -2.25 0.53 0.00 -1.46 0.00 0.00 42.92 39.64 3fj1 s ASP 172 CO 0.76 -0.94 1.76 0.44 0.52 0.00 0.00 175.17 177.70 3fj1 h ASP 173 N 9.01 0.28 -0.41 -0.34 3.32 -1.93 -1.40 116.42 124.95 3fj1 h ASP 173 Ca -0.29 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 3fj1 h ASP 173 Cb 1.10 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 3fj1 h ASP 173 CO 1.04 0.59 0.06 1.23 -1.72 0.00 0.00 179.24 180.44 3fj1 h GLY 174 N 1.07 0.74 1.01 2.75 0.00 -1.98 0.34 103.07 107.00 3fj1 h GLY 174 Ca 0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 3fj1 h GLY 174 CO 0.05 0.46 -0.14 -2.00 0.00 0.00 0.00 176.54 174.91 3fj1 h LEU 175 N 0.54 0.84 -0.82 3.11 5.85 -1.88 -2.23 115.31 120.72 3fj1 h LEU 175 Ca 0.12 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.50 3fj1 h LEU 175 Cb 0.38 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3fj1 h LEU 175 CO 0.01 1.03 0.52 0.03 -0.34 0.00 0.00 178.44 179.69 3fj1 h ARG 176 N 0.64 0.97 -0.56 1.25 3.08 -1.08 -0.52 114.38 118.17 3fj1 h ARG 176 Ca 0.10 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 3fj1 h ARG 176 Cb 0.69 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3fj1 h ARG 176 CO 0.05 0.64 -0.08 0.00 -1.07 0.00 0.00 179.97 179.51 3fj1 h ALA 177 N 1.35 0.79 -0.41 0.04 0.00 -0.76 -1.91 119.26 118.36 3fj1 h ALA 177 Ca 0.34 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3fj1 h ALA 177 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3fj1 h ALA 177 CO -0.13 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.81 3fj1 h ALA 178 N 0.96 0.55 -0.64 0.00 0.00 -1.01 -2.53 119.26 116.60 3fj1 h ALA 178 Ca 0.15 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3fj1 h ALA 178 Cb 0.65 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3fj1 h ALA 178 CO 0.04 0.32 0.35 -0.07 0.00 0.00 0.00 179.25 179.90 3fj1 h LEU 179 N 0.56 0.52 -1.88 0.00 3.38 -0.96 -2.27 115.31 114.66 3fj1 h LEU 179 Ca 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3fj1 h LEU 179 Cb 0.46 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3fj1 h LEU 179 CO 0.02 0.34 -0.05 1.23 0.09 0.00 0.00 178.44 180.07 3fj1 h GLY 180 N 0.66 0.01 -0.87 0.83 0.00 -1.08 -1.57 103.07 101.04 3fj1 h GLY 180 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3fj1 h GLY 180 CO -0.17 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.07 3fj1 n ASN 181 N -4.47 1.78 -0.35 0.19 3.02 -0.89 -4.53 115.26 110.01 3fj1 n ASN 181 Ca -0.03 -1.70 -0.03 0.00 -0.03 0.00 0.00 54.58 52.80 3fj1 n ASN 181 Cb 0.14 -0.09 0.10 0.00 -0.61 0.00 0.00 39.78 39.31 3fj1 n ASN 181 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3fj1 h LEU 182 N 2.44 1.11 -0.68 3.41 3.38 -0.93 -2.25 115.31 121.80 3fj1 h LEU 182 Ca 0.00 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.06 3fj1 h LEU 182 Cb 0.53 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 3fj1 h LEU 182 CO 0.00 0.83 0.15 -0.65 0.09 0.00 0.00 178.44 178.86 3fj1 h PRO 183 N 1.30 0.26 -0.28 1.13 0.11 -1.80 0.24 132.00 132.95 3fj1 h PRO 183 Ca 0.34 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.25 3fj1 h PRO 183 Cb -0.11 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3fj1 h PRO 183 CO -0.07 0.17 -0.56 0.93 -0.21 0.00 0.00 178.00 178.26 3fj1 h GLU 184 N 0.27 0.85 0.06 1.05 3.07 -1.85 -1.46 114.58 116.58 3fj1 h GLU 184 Ca 0.37 -0.55 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 3fj1 h GLU 184 Cb 0.60 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 3fj1 h GLU 184 CO -0.47 1.18 -0.06 1.15 -1.40 0.00 0.00 179.01 179.41 3fj1 h THR 185 N 0.65 0.86 -0.05 1.13 2.02 -0.87 -2.57 112.91 114.09 3fj1 h THR 185 Ca 0.01 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.08 3fj1 h THR 185 Cb 1.16 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3fj1 h THR 185 CO 0.12 0.00 -0.49 -0.07 0.37 0.00 0.00 175.52 175.45 3fj1 h LEU 186 N -0.14 0.14 -0.10 2.58 3.38 -0.56 -0.95 115.31 119.66 3fj1 h LEU 186 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3fj1 h LEU 186 Cb 0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3fj1 h LEU 186 CO -0.02 0.61 0.06 0.00 0.09 0.00 0.00 178.44 179.18 3fj1 h ALA 187 N 1.40 0.12 -0.44 1.53 0.00 -1.19 -0.02 119.26 120.66 3fj1 h ALA 187 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fj1 h ALA 187 Cb 0.91 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3fj1 h ALA 187 CO 0.07 -0.38 0.26 0.00 0.00 0.00 0.00 179.25 179.20 3fj1 h ALA 188 N 1.02 0.56 -0.67 0.00 0.00 -1.21 -2.63 119.26 116.32 3fj1 h ALA 188 Ca 0.04 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3fj1 h ALA 188 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3fj1 h ALA 188 CO -0.01 0.06 0.44 0.00 0.00 0.00 0.00 179.25 179.74 3fj1 h ALA 189 N 1.11 1.65 0.00 0.00 0.00 -1.01 -0.97 119.26 120.04 3fj1 h ALA 189 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fj1 h ALA 189 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3fj1 h ALA 189 CO -0.03 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 3fj1 n SER 190 N -4.46 0.50 -1.02 0.00 3.41 -0.04 -2.39 113.62 109.62 3fj1 n SER 190 Ca 0.09 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 3fj1 n SER 190 Cb 0.15 -0.71 0.26 0.00 -0.26 0.00 0.00 64.21 63.65 3fj1 n SER 190 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fj1 n ARG 191 N -2.02 2.30 -3.89 4.33 1.74 -0.37 -4.80 116.66 113.95 3fj1 n ARG 191 Ca 0.04 -2.00 -0.37 0.00 -0.77 0.00 0.00 57.85 54.75 3fj1 n ARG 191 Cb 0.27 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.46 30.18 3fj1 n ARG 191 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fj1 s ILE 192 N -1.37 5.41 -0.00 0.55 1.01 -1.00 -5.00 121.20 120.80 3fj1 s ILE 192 Ca 0.38 0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.21 3fj1 s ILE 192 Cb 0.20 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 39.31 3fj1 s ILE 192 CO 0.28 0.59 0.83 -0.90 0.00 0.00 0.00 174.94 175.74 3fj1 n ASP 193 N 2.25 0.11 -3.61 3.58 5.68 -1.26 -4.69 116.55 118.60 3fj1 n ASP 193 Ca -0.19 -1.69 -0.22 0.00 -0.50 0.00 0.00 54.79 52.19 3fj1 n ASP 193 Cb 0.54 -0.13 0.01 0.00 -1.14 0.00 0.00 41.12 40.40 3fj1 n ASP 193 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3fj1 n TRP 194 N -0.05 -2.19 -0.26 2.11 8.01 -1.26 -4.74 117.44 119.06 3fj1 n TRP 194 Ca 0.00 0.75 0.07 0.00 -1.31 0.00 0.00 57.50 57.02 3fj1 n TRP 194 Cb 0.62 -3.26 0.30 0.00 -2.01 0.00 0.00 31.31 26.96 3fj1 n TRP 194 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3fj1 h PRO 195 N -0.68 0.85 -1.44 -0.99 0.13 -2.02 -1.83 132.00 126.01 3fj1 h PRO 195 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3fj1 h PRO 195 Cb 1.29 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3fj1 h PRO 195 CO 0.39 0.56 0.00 0.39 -0.23 0.00 0.00 178.00 179.11 3fj1 n GLU 196 N -4.51 0.45 0.00 0.86 1.02 -1.26 -1.63 120.64 115.57 3fj1 n GLU 196 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3fj1 n GLU 196 Cb 0.28 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3fj1 n GLU 196 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3fj1 n ARG 198 N 0.73 0.00 0.03 3.49 1.74 -0.69 -1.93 116.66 120.03 3fj1 n ARG 198 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 3fj1 n ARG 198 Cb 0.22 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.58 3fj1 n ARG 198 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3fj1 h VAL 199 N 0.00 1.06 -0.58 1.55 2.07 -1.59 -1.15 116.25 117.61 3fj1 h VAL 199 Ca 0.00 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3fj1 h VAL 199 Cb 0.00 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3fj1 h VAL 199 CO 0.00 0.04 0.33 0.00 0.02 0.00 0.00 177.57 177.97 3fj1 h ALA 200 N 0.94 0.75 -0.58 1.67 0.00 -1.68 -1.20 119.26 119.16 3fj1 h ALA 200 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3fj1 h ALA 200 Cb 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fj1 h ALA 200 CO -0.00 0.03 -0.02 0.82 0.00 0.00 0.00 179.25 180.08 3fj1 h ILE 201 N 0.65 1.27 -0.81 0.00 2.04 -1.77 -2.15 117.51 116.73 3fj1 h ILE 201 Ca 0.24 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 64.95 3fj1 h ILE 201 Cb 0.08 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 3fj1 h ILE 201 CO -0.13 0.42 0.53 1.23 0.00 0.00 0.00 178.15 180.21 3fj1 h GLY 202 N 0.93 1.14 0.91 5.37 0.00 -0.74 -0.25 103.07 110.43 3fj1 h GLY 202 Ca 0.16 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3fj1 h GLY 202 CO 0.03 0.38 -0.03 0.00 0.00 0.00 0.00 176.54 176.93 3fj1 h ALA 203 N 1.51 0.45 -2.64 3.60 0.00 -1.00 -3.39 119.26 117.79 3fj1 h ALA 203 Ca 0.31 -0.26 -0.59 0.00 0.00 0.00 0.00 54.91 54.36 3fj1 h ALA 203 Cb -0.06 -0.12 -0.39 0.00 0.00 0.00 0.00 17.79 17.22 3fj1 h ALA 203 CO -0.08 0.24 -0.85 1.03 0.00 0.00 0.00 179.25 179.60 3fj1 s ARG 204 N -4.91 0.92 -1.13 0.00 0.52 -0.83 -5.07 118.95 108.44 3fj1 s ARG 204 Ca -0.13 -1.81 -0.23 0.00 -0.52 0.00 0.00 55.73 53.04 3fj1 s ARG 204 Cb 0.09 -1.68 -0.06 0.00 0.52 0.00 0.00 34.95 33.82 3fj1 s ARG 204 CO 0.78 -1.25 1.90 -2.14 0.02 0.00 0.00 175.30 174.60 3fj1 s PRO 205 N 0.48 2.72 0.11 3.54 0.02 -0.14 -4.50 135.00 137.24 3fj1 s PRO 205 Ca 0.23 -1.08 -0.26 0.00 0.02 0.00 0.00 61.00 59.90 3fj1 s PRO 205 Cb -0.15 -5.25 0.08 0.00 0.02 0.00 0.00 34.50 29.21 3fj1 s PRO 205 CO -0.06 -3.59 1.04 0.45 -0.33 0.00 0.00 177.00 174.51 3fj1 s SER 206 N 6.49 -0.14 -0.20 2.53 0.15 -1.26 -4.54 113.70 116.73 3fj1 s SER 206 Ca 0.66 -0.35 -0.17 0.00 0.70 0.00 0.00 55.95 56.80 3fj1 s SER 206 Cb -0.01 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.76 3fj1 s SER 206 CO 0.09 -0.75 0.52 -0.22 1.20 0.00 0.00 173.24 174.08 3fj1 s LEU 207 N -2.97 -0.09 -0.14 3.45 2.96 -0.85 -4.23 118.68 116.81 3fj1 s LEU 207 Ca 0.13 1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 55.09 3fj1 s LEU 207 Cb 0.00 1.79 -0.03 0.00 0.50 0.00 0.00 46.19 48.45 3fj1 s LEU 207 CO 0.01 -0.19 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.44 3fj1 s PHE 208 N 0.54 2.99 0.03 5.38 0.08 -0.46 -2.04 117.98 124.49 3fj1 s PHE 208 Ca -0.02 -0.28 0.06 0.00 0.12 0.00 0.00 56.93 56.81 3fj1 s PHE 208 Cb -0.04 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 3fj1 s PHE 208 CO -0.03 0.01 -0.15 0.95 -0.10 0.00 0.00 175.22 175.91 3fj1 s THR 209 N 0.16 3.04 0.10 0.64 -4.23 -0.59 -0.24 115.64 114.53 3fj1 s THR 209 Ca -0.02 -1.05 0.08 0.00 -1.18 0.00 0.00 61.69 59.52 3fj1 s THR 209 Cb -0.14 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 3fj1 s THR 209 CO 0.03 0.37 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.52 3fj1 s LEU 210 N -1.39 2.31 0.24 4.79 1.43 -0.14 -0.48 118.68 125.44 3fj1 s LEU 210 Ca 0.15 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.47 3fj1 s LEU 210 Cb -0.11 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 3fj1 s LEU 210 CO 0.06 0.02 0.38 -0.83 0.23 0.00 0.00 176.35 176.21 3fj1 s GLY 211 N -1.96 0.88 -0.18 -3.19 0.00 -0.74 -0.27 107.32 101.86 3fj1 s GLY 211 Ca 0.06 -1.17 -0.07 0.00 0.00 0.00 0.00 44.72 43.54 3fj1 s GLY 211 CO 0.04 -0.88 0.39 -1.60 0.00 0.00 0.00 173.10 171.05 3fj1 s ARG 212 N -3.97 0.31 5.48 2.90 6.06 -1.26 -0.69 118.95 127.78 3fj1 s ARG 212 Ca 0.28 0.91 0.00 0.00 -2.50 0.00 0.00 55.73 54.42 3fj1 s ARG 212 Cb 0.02 0.17 0.00 0.00 0.06 0.00 0.00 34.95 35.20 3fj1 s ARG 212 CO 0.11 -0.23 0.00 0.41 -2.50 0.00 0.00 175.30 173.09 3fj1 n GLY 213 N 5.05 1.90 0.34 8.12 0.00 -1.26 -3.72 105.19 115.63 3fj1 n GLY 213 Ca -0.13 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.40 3fj1 n GLY 213 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fj1 h THR 214 N 0.00 0.84 0.00 2.61 2.02 -1.96 -1.11 112.91 115.32 3fj1 h THR 214 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3fj1 h THR 214 Cb 0.00 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.35 3fj1 h THR 214 CO 0.00 0.15 0.00 0.28 0.37 0.00 0.00 175.52 176.32 3fj1 h SER 215 N 0.83 0.00 -0.30 4.18 0.02 -1.88 -2.11 113.55 114.30 3fj1 h SER 215 Ca 0.48 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.44 3fj1 h SER 215 Cb 0.55 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3fj1 h SER 215 CO -0.30 0.00 0.20 0.25 -1.14 0.00 0.00 176.83 175.84 3fj1 h LEU 216 N 0.00 0.32 -0.26 5.07 5.85 -1.40 -0.77 115.31 124.13 3fj1 h LEU 216 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3fj1 h LEU 216 Cb 0.15 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3fj1 h LEU 216 CO 0.00 0.23 0.13 0.00 -0.34 0.00 0.00 178.44 178.46 3fj1 h ALA 217 N 1.82 0.33 -0.02 1.25 0.00 -1.57 -1.02 119.26 120.05 3fj1 h ALA 217 Ca 0.11 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3fj1 h ALA 217 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3fj1 h ALA 217 CO -0.02 -0.13 -0.62 -0.39 0.00 0.00 0.00 179.25 178.09 3fj1 h VAL 218 N 0.29 1.43 -0.94 0.00 -1.51 -1.64 -1.68 116.25 112.20 3fj1 h VAL 218 Ca 0.09 -2.08 -0.00 0.00 -1.23 0.00 0.00 66.70 63.47 3fj1 h VAL 218 Cb 0.09 2.11 -0.05 0.00 -2.13 0.00 0.00 31.29 31.31 3fj1 h VAL 218 CO -0.01 0.60 0.58 -1.28 -1.23 0.00 0.00 177.57 176.22 3fj1 h SER 219 N 0.04 1.12 -0.26 4.19 0.87 -0.89 0.75 113.55 119.38 3fj1 h SER 219 Ca -0.01 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.44 3fj1 h SER 219 Cb 1.10 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 3fj1 h SER 219 CO 0.08 0.85 -0.06 0.78 -0.53 0.00 0.00 176.83 177.96 3fj1 h ASN 220 N 1.30 0.49 -0.61 6.23 2.35 -0.88 -2.36 115.58 122.10 3fj1 h ASN 220 Ca 0.34 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3fj1 h ASN 220 Cb -0.07 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 3fj1 h ASN 220 CO -0.07 0.74 0.38 -0.08 -1.65 0.00 0.00 177.43 176.75 3fj1 h GLU 221 N 0.24 0.73 -0.23 0.81 4.57 -1.13 -1.69 114.58 117.88 3fj1 h GLU 221 Ca 0.07 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3fj1 h GLU 221 Cb 0.52 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 3fj1 h GLU 221 CO 0.02 0.49 0.15 0.00 -1.18 0.00 0.00 179.01 178.49 3fj1 h ALA 222 N 1.26 0.29 -0.35 2.92 0.00 -0.72 0.11 119.26 122.77 3fj1 h ALA 222 Ca 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3fj1 h ALA 222 Cb -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3fj1 h ALA 222 CO -0.09 -0.24 0.21 0.00 0.00 0.00 0.00 179.25 179.13 3fj1 h ALA 223 N 1.08 0.45 -0.19 0.00 0.00 -1.28 -0.66 119.26 118.66 3fj1 h ALA 223 Ca 0.08 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3fj1 h ALA 223 Cb -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3fj1 h ALA 223 CO -0.02 -0.05 0.02 1.25 0.00 0.00 0.00 179.25 180.46 3fj1 h LEU 224 N 0.45 -0.03 -0.64 0.00 5.85 -0.90 -2.39 115.31 117.65 3fj1 h LEU 224 Ca 0.13 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3fj1 h LEU 224 Cb 0.02 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3fj1 h LEU 224 CO -0.02 0.01 -0.38 0.11 -0.34 0.00 0.00 178.44 177.82 3fj1 h LYS 225 N 0.09 0.00 -0.41 1.25 1.79 -0.81 -1.23 116.57 117.25 3fj1 h LYS 225 Ca 0.09 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.51 3fj1 h LYS 225 Cb 0.10 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 3fj1 h LYS 225 CO -0.13 0.38 0.05 0.35 -1.08 0.00 0.00 179.45 179.02 3fj1 h PHE 226 N 0.00 0.74 -0.22 -1.35 3.57 -0.97 -0.30 116.94 118.41 3fj1 h PHE 226 Ca -0.00 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 3fj1 h PHE 226 Cb 1.03 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 3fj1 h PHE 226 CO 0.00 0.73 0.14 0.87 -2.23 0.00 0.00 178.31 177.81 3fj1 h LYS 227 N 0.54 0.30 -0.09 1.11 1.57 -1.17 -0.97 116.57 117.85 3fj1 h LYS 227 Ca 0.12 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3fj1 h LYS 227 Cb 0.40 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3fj1 h LYS 227 CO 0.01 0.24 0.05 1.49 -0.57 0.00 0.00 179.45 180.67 3fj1 h GLU 228 N 0.28 0.13 0.16 3.15 4.57 -1.09 -0.89 114.58 120.89 3fj1 h GLU 228 Ca 0.08 -0.01 -0.30 0.00 -1.18 0.00 0.00 59.36 57.95 3fj1 h GLU 228 Cb 0.01 -0.03 0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3fj1 h GLU 228 CO -0.02 0.16 -1.29 1.79 -1.18 0.00 0.00 179.01 178.47 3fj1 h THR 229 N 0.07 1.36 0.00 0.32 1.35 -1.05 -3.38 112.91 111.59 3fj1 h THR 229 Ca 0.03 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 3fj1 h THR 229 Cb 0.07 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 3fj1 h THR 229 CO -0.01 0.81 -1.05 0.00 -0.25 0.00 0.00 175.52 175.03 3fj1 n GLN 231 N -1.59 -7.00 -4.31 0.00 1.13 -0.34 -5.00 117.38 100.28 3fj1 n GLN 231 Ca 0.01 0.75 -0.17 0.00 -1.94 0.00 0.00 57.00 55.65 3fj1 n GLN 231 Cb 0.29 -5.73 -0.10 0.00 0.11 0.00 0.00 30.24 24.81 3fj1 n GLN 231 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3fj1 s LEU 232 N -7.19 2.55 0.23 1.08 1.43 -1.26 -5.07 118.68 110.44 3fj1 s LEU 232 Ca 0.53 -1.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.35 3fj1 s LEU 232 Cb -0.25 -0.57 -0.09 0.00 0.03 0.00 0.00 46.19 45.31 3fj1 s LEU 232 CO 0.76 -0.22 0.86 -2.28 0.23 0.00 0.00 176.35 175.70 3fj1 s HIS 233 N -3.07 3.87 0.01 0.29 5.65 -1.26 -3.91 115.29 116.87 3fj1 s HIS 233 Ca 0.21 1.74 -0.12 0.00 0.25 0.00 0.00 55.06 57.13 3fj1 s HIS 233 Cb 0.00 -2.85 0.02 0.00 -1.18 0.00 0.00 32.58 28.56 3fj1 s HIS 233 CO 0.05 0.42 0.26 0.00 -0.65 0.00 0.00 174.74 174.82 3fj1 s ALA 234 N -1.28 -0.62 -0.03 1.58 0.00 -1.26 -2.00 121.76 118.15 3fj1 s ALA 234 Ca 0.41 0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 3fj1 s ALA 234 Cb -0.23 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3fj1 s ALA 234 CO 0.27 -0.30 0.09 -2.00 0.00 0.00 0.00 175.76 173.82 3fj1 s GLU 235 N -1.80 0.11 -0.13 0.00 2.12 -0.87 -4.92 118.70 113.21 3fj1 s GLU 235 Ca -0.11 0.12 -0.05 0.00 0.36 0.00 0.00 54.97 55.29 3fj1 s GLU 235 Cb -0.04 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.37 3fj1 s GLU 235 CO 0.01 -0.01 0.04 0.45 -0.54 0.00 0.00 175.26 175.21 3fj1 s SER 236 N 0.03 5.53 0.09 -1.70 0.15 -1.26 -1.54 113.70 115.00 3fj1 s SER 236 Ca -0.00 0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.84 3fj1 s SER 236 Cb -0.01 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.49 3fj1 s SER 236 CO 0.00 0.29 -0.11 -0.31 1.20 0.00 0.00 173.24 174.31 3fj1 s TYR 237 N -0.33 1.10 0.27 3.44 2.02 0.36 -4.97 117.35 119.25 3fj1 s TYR 237 Ca 0.08 -0.57 -0.29 0.00 -0.37 0.00 0.00 57.07 55.92 3fj1 s TYR 237 Cb -0.12 -0.61 -0.10 0.00 -0.40 0.00 0.00 41.96 40.74 3fj1 s TYR 237 CO 0.02 0.03 1.27 0.45 -1.57 0.00 0.00 175.55 175.74 3fj1 s SER 238 N -2.16 6.91 0.58 2.29 0.15 -1.26 -1.80 113.70 118.41 3fj1 s SER 238 Ca 0.02 2.50 0.30 0.00 0.70 0.00 0.00 55.95 59.48 3fj1 s SER 238 Cb -0.06 -2.63 1.77 0.00 -1.71 0.00 0.00 66.02 63.39 3fj1 s SER 238 CO 0.01 -0.46 2.22 0.77 1.20 0.00 0.00 173.24 176.98 3fj1 h SER 239 N 4.21 0.00 0.91 5.45 4.64 -1.26 -1.05 113.55 126.45 3fj1 h SER 239 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3fj1 h SER 239 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3fj1 h SER 239 CO 0.70 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.69 3fj1 n ALA 240 N -2.30 2.17 0.01 5.18 0.00 -1.26 -3.81 120.51 120.50 3fj1 n ALA 240 Ca -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.34 3fj1 n ALA 240 Cb 0.12 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 3fj1 n ALA 240 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fj1 n GLU 241 N -1.55 0.57 0.20 0.00 -0.58 -0.50 -4.79 120.64 113.98 3fj1 n GLU 241 Ca 0.06 -0.02 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 3fj1 n GLU 241 Cb 0.31 -1.03 0.61 0.00 -0.57 0.00 0.00 31.44 30.76 3fj1 n GLU 241 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 3fj1 h VAL 242 N 0.00 1.00 -0.06 2.62 3.04 -1.38 0.34 116.25 121.81 3fj1 h VAL 242 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 3fj1 h VAL 242 Cb 0.12 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 3fj1 h VAL 242 CO 0.00 0.02 0.00 0.18 -1.01 0.00 0.00 177.57 176.76 3fj1 n LEU 243 N -4.52 1.02 0.00 3.16 4.77 -1.26 -3.93 117.00 116.24 3fj1 n LEU 243 Ca -0.01 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3fj1 n LEU 243 Cb 0.12 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3fj1 n LEU 243 CO 0.34 0.19 0.38 1.41 -1.33 0.00 0.00 177.39 178.39 3fj1 n HIS 244 N -0.16 0.00 -2.02 -1.77 8.25 0.10 -5.07 115.22 114.55 3fj1 n HIS 244 Ca 0.18 -0.28 -0.23 0.00 -0.26 0.00 0.00 57.72 57.13 3fj1 n HIS 244 Cb 0.25 -0.03 0.15 0.00 1.12 0.00 0.00 29.99 31.49 3fj1 n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fj1 n GLY 245 N -0.28 -0.81 0.23 -1.41 0.00 -1.16 -4.98 105.19 96.79 3fj1 n GLY 245 Ca 0.00 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.34 3fj1 n GLY 245 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fj1 h PRO 246 N 0.00 0.00 -5.71 1.61 0.13 -1.95 -3.44 132.00 122.65 3fj1 h PRO 246 Ca -0.34 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.13 3fj1 h PRO 246 Cb 1.02 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.95 3fj1 h PRO 246 CO 0.27 0.17 -0.67 0.14 -0.23 0.00 0.00 178.00 177.69 3fj1 s VAL 247 N -3.66 3.91 -0.50 1.56 -7.23 -1.26 -5.08 120.40 108.15 3fj1 s VAL 247 Ca 0.01 -0.38 -0.28 0.00 -1.81 0.00 0.00 61.98 59.52 3fj1 s VAL 247 Cb 0.10 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.41 3fj1 s VAL 247 CO 0.62 0.55 1.10 -0.55 -0.31 0.00 0.00 175.10 176.50 3fj1 s SER 248 N -0.27 6.56 0.21 4.85 0.15 -1.26 -4.90 113.70 119.03 3fj1 s SER 248 Ca 0.05 0.29 -0.10 0.00 0.70 0.00 0.00 55.95 56.88 3fj1 s SER 248 Cb -0.13 -2.52 0.27 0.00 -1.71 0.00 0.00 66.02 61.93 3fj1 s SER 248 CO 0.02 -1.26 1.73 0.40 1.20 0.00 0.00 173.24 175.33 3fj1 h ILE 249 N 6.18 0.72 0.04 6.45 5.03 -1.97 0.44 117.51 134.40 3fj1 h ILE 249 Ca -0.24 -0.12 -0.00 0.00 -0.12 0.00 0.00 64.86 64.39 3fj1 h ILE 249 Cb 1.06 0.35 0.00 0.00 -3.03 0.00 0.00 36.82 35.21 3fj1 h ILE 249 CO 1.12 0.06 -0.02 0.58 -0.68 0.00 0.00 178.15 179.21 3fj1 h VAL 250 N 0.34 0.97 -0.10 1.67 2.07 -1.94 -2.50 116.25 116.76 3fj1 h VAL 250 Ca 0.30 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 3fj1 h VAL 250 Cb 0.41 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3fj1 h VAL 250 CO -0.34 0.01 -0.13 -0.33 0.02 0.00 0.00 177.57 176.80 3fj1 h GLU 251 N -0.06 0.16 -0.22 1.57 3.07 -1.82 -2.20 114.58 115.08 3fj1 h GLU 251 Ca -0.01 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.73 3fj1 h GLU 251 Cb 0.05 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3fj1 h GLU 251 CO 0.01 0.29 -0.26 0.93 -1.40 0.00 0.00 179.01 178.58 3fj1 h GLU 252 N 0.15 0.42 0.00 2.33 4.39 -0.58 -3.47 114.58 117.82 3fj1 h GLU 252 Ca 0.03 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3fj1 h GLU 252 Cb 0.33 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3fj1 h GLU 252 CO 0.02 0.65 0.00 0.41 -1.16 0.00 0.00 179.01 178.93 3fj1 n GLY 253 N -0.40 0.67 3.79 -3.84 0.00 -0.83 -5.03 105.19 99.55 3fj1 n GLY 253 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3fj1 n GLY 253 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fj1 s PHE 254 N -2.74 2.91 0.62 1.61 0.08 -1.26 -4.89 117.98 114.30 3fj1 s PHE 254 Ca 0.00 1.56 -0.18 0.00 0.12 0.00 0.00 56.93 58.43 3fj1 s PHE 254 Cb 0.00 -3.11 -0.02 0.00 -0.57 0.00 0.00 43.02 39.32 3fj1 s PHE 254 CO 0.00 -1.08 1.18 -1.25 -0.10 0.00 0.00 175.22 173.97 3fj1 s PRO 255 N -3.40 2.85 -0.09 0.24 0.04 -1.26 -4.73 135.00 128.65 3fj1 s PRO 255 Ca 0.68 1.71 0.04 0.00 0.04 0.00 0.00 61.00 63.47 3fj1 s PRO 255 Cb -0.18 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 3fj1 s PRO 255 CO 0.25 -1.27 -0.24 0.08 0.04 0.00 0.00 177.00 175.86 3fj1 s VAL 256 N -1.81 2.12 -0.27 -0.36 1.01 -0.00 -1.36 120.40 119.73 3fj1 s VAL 256 Ca 0.74 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3fj1 s VAL 256 Cb -0.28 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.37 3fj1 s VAL 256 CO 0.36 0.56 -0.09 -0.22 0.00 0.00 0.00 175.10 175.71 3fj1 s LEU 257 N 0.20 3.53 -0.38 3.92 0.20 0.67 -1.00 118.68 125.82 3fj1 s LEU 257 Ca -0.14 -1.47 -0.21 0.00 0.69 0.00 0.00 54.13 53.00 3fj1 s LEU 257 Cb -0.17 -1.53 0.01 0.00 -0.43 0.00 0.00 46.19 44.07 3fj1 s LEU 257 CO 0.07 -0.22 0.67 -0.83 -0.29 0.00 0.00 176.35 175.76 3fj1 s GLY 258 N 1.10 1.71 -0.45 7.98 0.00 0.68 -0.96 107.32 117.38 3fj1 s GLY 258 Ca -0.06 -0.91 -0.26 0.00 0.00 0.00 0.00 44.72 43.49 3fj1 s GLY 258 CO -0.05 1.56 0.93 -1.36 0.00 0.00 0.00 173.10 174.18 3fj1 s PHE 259 N 2.84 2.94 -0.16 1.90 0.08 0.63 -1.17 117.98 125.04 3fj1 s PHE 259 Ca 0.26 0.44 0.01 0.00 0.12 0.00 0.00 56.93 57.75 3fj1 s PHE 259 Cb -0.14 -3.95 0.02 0.00 -0.57 0.00 0.00 43.02 38.39 3fj1 s PHE 259 CO 0.17 -1.07 -0.15 0.00 -0.10 0.00 0.00 175.22 174.06 3fj1 s ALA 260 N 3.74 1.97 0.69 5.36 0.00 -1.26 -4.35 121.76 127.91 3fj1 s ALA 260 Ca 0.37 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 3fj1 s ALA 260 Cb -0.10 -1.09 0.06 0.00 0.00 0.00 0.00 23.12 21.98 3fj1 s ALA 260 CO 0.26 -0.39 1.00 0.00 0.00 0.00 0.00 175.76 176.62 3fj1 s ALA 261 N 1.44 3.20 -1.43 0.00 0.00 -1.26 -4.67 121.76 119.04 3fj1 s ALA 261 Ca 0.05 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 3fj1 s ALA 261 Cb -0.13 -2.58 0.05 0.00 0.00 0.00 0.00 23.12 20.46 3fj1 s ALA 261 CO -0.11 -1.24 2.44 0.41 0.00 0.00 0.00 175.76 177.26 3fj1 n GLY 262 N -2.87 4.72 0.68 0.00 0.00 -1.26 -4.18 105.19 102.29 3fj1 n GLY 262 Ca 0.08 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 3fj1 n GLY 262 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fj1 n ASP 263 N 3.36 0.93 0.28 1.61 5.75 -1.26 -4.50 116.55 122.72 3fj1 n ASP 263 Ca 0.61 -1.44 0.19 0.00 -0.01 0.00 0.00 54.79 54.14 3fj1 n ASP 263 Cb 0.29 0.22 0.98 0.00 -1.03 0.00 0.00 41.12 41.58 3fj1 n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fj1 h ALA 264 N 1.14 1.00 -0.00 2.12 0.00 -1.99 -2.39 119.26 119.15 3fj1 h ALA 264 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fj1 h ALA 264 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fj1 h ALA 264 CO 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.15 3fj1 n ALA 265 N -2.00 2.85 0.14 0.00 0.00 -1.26 -4.34 120.51 115.90 3fj1 n ALA 265 Ca -0.02 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 3fj1 n ALA 265 Cb 0.10 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.17 3fj1 n ALA 265 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fj1 h GLU 266 N 0.12 -0.38 0.23 0.00 4.81 -1.59 -1.74 114.58 116.02 3fj1 h GLU 266 Ca 0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3fj1 h GLU 266 Cb 0.47 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3fj1 h GLU 266 CO 0.00 -0.26 -0.14 0.00 -0.73 0.00 0.00 179.01 177.89 3fj1 h ALA 267 N 0.37 -0.34 -0.13 2.92 0.00 -1.81 -1.63 119.26 118.63 3fj1 h ALA 267 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3fj1 h ALA 267 Cb 0.37 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3fj1 h ALA 267 CO -0.04 -0.70 -0.20 -1.00 0.00 0.00 0.00 179.25 177.31 3fj1 h PRO 268 N -0.35 0.23 -0.08 0.00 0.13 -1.79 -1.32 132.00 128.82 3fj1 h PRO 268 Ca -0.02 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3fj1 h PRO 268 Cb 0.29 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 3fj1 h PRO 268 CO 0.03 0.43 0.03 1.25 -0.23 0.00 0.00 178.00 179.51 3fj1 h LEU 269 N 0.21 0.11 -0.76 1.56 7.12 -1.22 -2.62 115.31 119.71 3fj1 h LEU 269 Ca 0.04 -0.16 0.08 0.00 0.13 0.00 0.00 57.88 57.96 3fj1 h LEU 269 Cb 0.49 -0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 40.53 3fj1 h LEU 269 CO 0.03 0.24 0.43 0.00 -0.13 0.00 0.00 178.44 179.01 3fj1 h ALA 270 N 0.87 1.04 -0.41 1.25 0.00 -1.08 -1.02 119.26 119.92 3fj1 h ALA 270 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3fj1 h ALA 270 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3fj1 h ALA 270 CO -0.00 0.09 0.26 1.49 0.00 0.00 0.00 179.25 181.09 3fj1 h GLU 271 N 0.76 0.52 -0.41 0.00 4.57 -1.14 0.46 114.58 119.34 3fj1 h GLU 271 Ca 0.35 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.41 3fj1 h GLU 271 Cb 0.27 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3fj1 h GLU 271 CO -0.21 0.35 -0.09 0.82 -1.18 0.00 0.00 179.01 178.69 3fj1 h ILE 272 N 0.54 1.27 -0.63 2.32 1.08 -1.21 -0.93 117.51 119.95 3fj1 h ILE 272 Ca 0.16 -1.18 0.10 0.00 -0.39 0.00 0.00 64.86 63.54 3fj1 h ILE 272 Cb -0.04 1.21 -0.07 0.00 -3.07 0.00 0.00 36.82 34.84 3fj1 h ILE 272 CO -0.05 0.40 0.25 0.00 -0.69 0.00 0.00 178.15 178.06 3fj1 h ALA 273 N 0.85 0.83 -0.62 1.87 0.00 -0.88 -0.87 119.26 120.44 3fj1 h ALA 273 Ca 0.10 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3fj1 h ALA 273 Cb 0.62 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3fj1 h ALA 273 CO 0.04 -0.17 0.12 -0.44 0.00 0.00 0.00 179.25 178.80 3fj1 h ASP 274 N 0.44 0.94 -0.68 0.00 3.32 -0.68 -0.77 116.42 119.00 3fj1 h ASP 274 Ca 0.32 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3fj1 h ASP 274 Cb 0.39 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3fj1 h ASP 274 CO -0.30 0.92 0.20 1.56 -1.72 0.00 0.00 179.24 179.91 3fj1 h GLN 275 N 0.94 1.06 -0.39 3.56 4.20 -0.34 0.90 115.11 125.02 3fj1 h GLN 275 Ca 0.19 -0.23 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 3fj1 h GLN 275 Cb 0.38 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3fj1 h GLN 275 CO 0.01 0.92 -0.36 0.82 -0.67 0.00 0.00 178.83 179.54 3fj1 h ILE 276 N 0.99 1.27 -0.72 2.54 2.04 -1.00 -2.91 117.51 119.72 3fj1 h ILE 276 Ca 0.22 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.51 3fj1 h ILE 276 Cb 0.31 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3fj1 h ILE 276 CO -0.01 0.52 0.31 0.00 0.00 0.00 0.00 178.15 178.98 3fj1 h ALA 277 N 0.78 1.19 -0.27 1.87 0.00 -0.95 -2.86 119.26 119.02 3fj1 h ALA 277 Ca 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3fj1 h ALA 277 Cb 0.96 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3fj1 h ALA 277 CO 0.09 0.60 0.18 0.00 0.00 0.00 0.00 179.25 180.12 3fj1 h ALA 278 N 1.31 1.84 0.00 0.00 0.00 -0.63 -0.64 119.26 121.14 3fj1 h ALA 278 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3fj1 h ALA 278 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3fj1 h ALA 278 CO -0.03 0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.99 3fj1 n LYS 279 N -4.50 0.17 0.00 0.00 5.02 -1.09 -4.91 118.16 112.85 3fj1 n LYS 279 Ca 0.01 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3fj1 n LYS 279 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3fj1 n LYS 279 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fj1 n GLY 280 N 1.11 0.79 3.82 0.72 0.00 -0.25 -5.11 105.19 106.28 3fj1 n GLY 280 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3fj1 n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fj1 s ALA 281 N -2.00 2.79 -0.43 4.61 0.00 -1.11 -5.01 121.76 120.60 3fj1 s ALA 281 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 51.96 51.93 3fj1 s ALA 281 Cb 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3fj1 s ALA 281 CO 0.00 -0.92 0.65 0.99 0.00 0.00 0.00 175.76 176.48 3fj1 s THR 282 N -2.81 4.82 -0.02 0.00 2.01 -1.26 -4.39 115.64 113.98 3fj1 s THR 282 Ca 0.60 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.76 3fj1 s THR 282 Cb -0.14 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.17 3fj1 s THR 282 CO 0.46 -0.59 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.05 3fj1 s VAL 283 N 2.84 0.54 0.10 3.82 1.01 -1.26 -0.82 120.40 126.62 3fj1 s VAL 283 Ca 0.23 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.04 3fj1 s VAL 283 Cb -0.14 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3fj1 s VAL 283 CO 0.19 0.18 -0.14 -0.36 0.00 0.00 0.00 175.10 174.98 3fj1 s PHE 284 N 0.29 1.29 -0.10 5.22 0.40 -0.17 -1.14 117.98 123.77 3fj1 s PHE 284 Ca -0.04 -0.52 -0.17 0.00 -0.60 0.00 0.00 56.93 55.59 3fj1 s PHE 284 Cb -0.08 -0.70 0.04 0.00 0.51 0.00 0.00 43.02 42.79 3fj1 s PHE 284 CO -0.00 0.09 0.43 0.00 0.70 0.00 0.00 175.22 176.44 3fj1 s ALA 285 N -1.79 -1.09 -1.40 5.36 0.00 -0.21 -0.23 121.76 122.41 3fj1 s ALA 285 Ca 0.04 0.94 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 3fj1 s ALA 285 Cb -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3fj1 s ALA 285 CO 0.02 -0.25 2.80 0.25 0.00 0.00 0.00 175.76 178.58 3fj1 n THR 286 N 2.01 4.54 -3.60 0.00 -2.24 -0.31 -1.23 114.28 113.45 3fj1 n THR 286 Ca -0.17 -3.14 -0.13 0.00 -2.27 0.00 0.00 64.05 58.34 3fj1 n THR 286 Cb 0.57 -2.36 -0.07 0.00 -2.10 0.00 0.00 70.33 66.37 3fj1 n THR 286 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3fj1 s THR 287 N 0.81 0.00 -1.60 4.28 -1.32 -1.26 -4.34 115.64 112.21 3fj1 s THR 287 Ca 0.64 0.00 0.31 0.00 -1.21 0.00 0.00 61.69 61.43 3fj1 s THR 287 Cb 0.20 -1.00 0.64 0.00 -1.51 0.00 0.00 72.50 70.83 3fj1 s THR 287 CO -0.07 0.00 2.11 0.61 -2.21 0.00 0.00 174.62 175.05 3fj1 n GLY 288 N 1.99 -1.20 0.00 6.08 0.00 -1.26 -3.82 105.19 106.98 3fj1 n GLY 288 Ca -0.14 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.82 3fj1 n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fj1 n ARG 289 N -1.20 0.06 -2.47 1.61 1.74 -1.26 -4.78 116.66 110.37 3fj1 n ARG 289 Ca 0.17 0.10 -0.40 0.00 -0.77 0.00 0.00 57.85 56.95 3fj1 n ARG 289 Cb 0.20 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 3fj1 n ARG 289 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3fj1 s VAL 290 N -2.92 3.49 -0.29 1.55 -7.23 -1.25 -4.87 120.40 108.89 3fj1 s VAL 290 Ca 0.13 1.48 0.10 0.00 -1.81 0.00 0.00 61.98 61.89 3fj1 s VAL 290 Cb 0.15 -3.94 -0.13 0.00 0.56 0.00 0.00 36.38 33.01 3fj1 s VAL 290 CO 0.40 0.35 0.35 0.35 -0.31 0.00 0.00 175.10 176.24 3fj1 n THR 291 N 1.29 0.00 0.00 5.32 -2.24 -1.26 -4.83 114.28 112.55 3fj1 n THR 291 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3fj1 n THR 291 Cb 0.45 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 3fj1 n THR 291 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fj1 n ARG 292 N -1.50 0.00 -0.90 -0.78 5.12 -1.26 -5.04 116.66 112.30 3fj1 n ARG 292 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.62 3fj1 n ARG 292 Cb 0.21 -0.50 0.15 0.00 -1.16 0.00 0.00 32.46 31.16 3fj1 n ARG 292 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fj1 s ALA 293 N -1.98 1.52 0.22 7.54 0.00 -1.26 -4.93 121.76 122.87 3fj1 s ALA 293 Ca 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.22 3fj1 s ALA 293 Cb 0.00 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 3fj1 s ALA 293 CO 0.00 -2.53 0.55 1.03 0.00 0.00 0.00 175.76 174.80 3fj1 s ARG 294 N -4.74 3.82 -0.04 0.00 0.52 -0.29 -4.85 118.95 113.37 3fj1 s ARG 294 Ca 0.65 0.30 -0.20 0.00 -0.52 0.00 0.00 55.73 55.95 3fj1 s ARG 294 Cb -0.21 -2.68 -0.05 0.00 0.52 0.00 0.00 34.95 32.53 3fj1 s ARG 294 CO 0.58 0.34 0.58 0.08 0.02 0.00 0.00 175.30 176.90 3fj1 s VAL 295 N -1.77 4.99 -0.20 3.52 1.01 -1.26 -1.04 120.40 125.65 3fj1 s VAL 295 Ca 0.46 1.20 -0.10 0.00 0.00 0.00 0.00 61.98 63.55 3fj1 s VAL 295 Cb -0.12 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3fj1 s VAL 295 CO 0.21 0.38 0.12 -0.76 0.00 0.00 0.00 175.10 175.05 3fj1 s LEU 296 N 0.09 4.18 0.43 3.92 1.43 -0.37 -4.87 118.68 123.49 3fj1 s LEU 296 Ca 0.31 0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 53.37 3fj1 s LEU 296 Cb -0.17 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 43.87 3fj1 s LEU 296 CO 0.16 0.19 1.39 1.21 0.23 0.00 0.00 176.35 179.53 3fj1 n GLU 297 N 3.48 2.24 -3.69 1.70 2.13 -1.26 -4.32 120.64 120.92 3fj1 n GLU 297 Ca -0.16 0.79 -0.12 0.00 0.66 0.00 0.00 57.16 58.33 3fj1 n GLU 297 Cb 0.52 -2.56 -0.06 0.00 0.27 0.00 0.00 31.44 29.61 3fj1 n GLU 297 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 3fj1 s HIS 298 N -1.18 -0.20 -0.23 4.31 -3.43 -1.26 -4.98 115.29 108.32 3fj1 s HIS 298 Ca 0.59 0.06 -0.04 0.00 -0.80 0.00 0.00 55.06 54.88 3fj1 s HIS 298 Cb -0.47 0.19 -0.01 0.00 -1.43 0.00 0.00 32.58 30.85 3fj1 s HIS 298 CO 0.59 -0.58 -0.02 0.08 -2.00 0.00 0.00 174.74 172.80 3fj1 s VAL 299 N -2.82 3.50 0.59 -5.38 1.01 -1.26 -5.11 120.40 110.92 3fj1 s VAL 299 Ca -0.03 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 3fj1 s VAL 299 Cb -0.00 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 3fj1 s VAL 299 CO -0.05 0.39 1.02 -0.13 0.00 0.00 0.00 175.10 176.33 3fj1 s ARG 300 N 1.49 3.67 -0.00 2.72 1.81 -1.26 -4.72 118.95 122.65 3fj1 s ARG 300 Ca 0.05 0.85 0.10 0.00 -1.72 0.00 0.00 55.73 55.01 3fj1 s ARG 300 Cb -0.15 -2.09 -0.12 0.00 -0.45 0.00 0.00 34.95 32.15 3fj1 s ARG 300 CO -0.02 -0.51 0.38 -1.13 -0.68 0.00 0.00 175.30 173.33 3fj1 n SER 301 N -2.36 0.91 0.00 0.23 3.41 -1.26 -5.00 113.62 109.55 3fj1 n SER 301 Ca 0.06 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 3fj1 n SER 301 Cb 0.54 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 3fj1 n SER 301 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fj1 n GLY 302 N 1.37 1.81 3.33 5.00 0.00 -1.26 -4.73 105.19 110.72 3fj1 n GLY 302 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3fj1 n GLY 302 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fj1 s HIS 303 N -2.36 -0.48 0.29 1.61 5.65 -1.26 -4.82 115.29 113.91 3fj1 s HIS 303 Ca 0.00 1.17 0.03 0.00 0.25 0.00 0.00 55.06 56.51 3fj1 s HIS 303 Cb 0.00 0.16 0.68 0.00 -1.18 0.00 0.00 32.58 32.24 3fj1 s HIS 303 CO 0.00 -0.23 1.73 0.00 -0.65 0.00 0.00 174.74 175.59 3fj1 h ALA 304 N 5.44 1.45 0.00 1.58 0.00 -1.97 -2.26 119.26 123.50 3fj1 h ALA 304 Ca -0.27 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3fj1 h ALA 304 Cb 1.18 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3fj1 h ALA 304 CO 0.23 -0.20 -0.00 -0.07 0.00 0.00 0.00 179.25 179.21 3fj1 h LEU 305 N 0.55 0.00 0.00 0.00 3.38 -1.97 -2.53 115.31 114.75 3fj1 h LEU 305 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3fj1 h LEU 305 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3fj1 h LEU 305 CO -0.44 0.00 -1.02 0.35 0.09 0.00 0.00 178.44 177.42 3fj1 n THR 306 N -3.09 0.05 -0.22 0.22 -2.24 -0.89 -4.48 114.28 103.62 3fj1 n THR 306 Ca 0.01 -0.12 -0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3fj1 n THR 306 Cb 0.36 0.54 0.11 0.00 -2.10 0.00 0.00 70.33 69.24 3fj1 n THR 306 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fj1 h ASP 307 N 0.00 0.44 -0.63 3.42 3.32 -0.99 -2.32 116.42 119.65 3fj1 h ASP 307 Ca 0.00 0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.20 3fj1 h ASP 307 Cb 0.62 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 3fj1 h ASP 307 CO 0.00 0.27 0.42 -0.65 -1.72 0.00 0.00 179.24 177.56 3fj1 h PRO 308 N 0.58 0.42 -0.79 3.56 0.11 -1.79 -2.28 132.00 131.81 3fj1 h PRO 308 Ca 0.31 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3fj1 h PRO 308 Cb 0.29 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 3fj1 h PRO 308 CO -0.24 0.28 0.46 -0.07 -0.21 0.00 0.00 178.00 178.22 3fj1 h LEU 309 N 0.43 0.98 -0.02 2.35 3.38 -1.72 -0.40 115.31 120.31 3fj1 h LEU 309 Ca 0.29 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3fj1 h LEU 309 Cb 0.56 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3fj1 h LEU 309 CO -0.08 0.78 -0.07 -1.28 0.09 0.00 0.00 178.44 177.88 3fj1 h SER 310 N 1.10 -0.20 -0.65 -0.43 0.87 -1.45 -2.32 113.55 110.48 3fj1 h SER 310 Ca 0.28 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.90 3fj1 h SER 310 Cb -0.00 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3fj1 h SER 310 CO -0.05 -0.10 0.40 -0.07 -0.53 0.00 0.00 176.83 176.48 3fj1 h LEU 311 N -0.11 0.65 -0.83 2.23 3.38 -1.15 -2.30 115.31 117.19 3fj1 h LEU 311 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3fj1 h LEU 311 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3fj1 h LEU 311 CO -0.09 0.45 -0.29 -0.29 0.09 0.00 0.00 178.44 178.32 3fj1 h ILE 312 N 0.79 1.28 -0.42 1.22 6.09 -0.97 -0.71 117.51 124.78 3fj1 h ILE 312 Ca 0.26 -1.36 -0.00 0.00 -1.37 0.00 0.00 64.86 62.38 3fj1 h ILE 312 Cb 0.02 1.38 -0.02 0.00 0.47 0.00 0.00 36.82 38.67 3fj1 h ILE 312 CO -0.10 0.44 0.25 0.58 -3.07 0.00 0.00 178.15 176.24 3fj1 h VAL 313 N 0.48 1.14 -0.84 2.19 2.07 -1.11 0.17 116.25 120.34 3fj1 h VAL 313 Ca 0.06 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3fj1 h VAL 313 Cb 0.74 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3fj1 h VAL 313 CO 0.06 0.14 0.56 0.28 0.02 0.00 0.00 177.57 178.63 3fj1 h SER 314 N 0.55 0.96 -0.17 0.57 0.02 -1.21 -1.16 113.55 113.11 3fj1 h SER 314 Ca 0.15 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3fj1 h SER 314 Cb 0.01 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3fj1 h SER 314 CO -0.03 0.69 0.11 0.15 -1.14 0.00 0.00 176.83 176.61 3fj1 h PHE 315 N 1.13 0.21 -0.88 3.45 3.57 -0.61 -2.80 116.94 121.00 3fj1 h PHE 315 Ca 0.31 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.88 3fj1 h PHE 315 Cb -0.11 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.49 3fj1 h PHE 315 CO -0.01 0.13 0.55 1.88 -2.23 0.00 0.00 178.31 178.63 3fj1 h TYR 316 N 0.22 1.02 0.00 0.41 0.05 -0.30 -0.10 116.97 118.27 3fj1 h TYR 316 Ca 0.06 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3fj1 h TYR 316 Cb -0.02 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.38 3fj1 h TYR 316 CO -0.07 0.53 0.00 0.45 -1.05 0.00 0.00 178.16 178.02 3fj1 n SER 317 N -4.60 0.41 0.00 3.88 2.88 -0.47 -1.04 113.62 114.68 3fj1 n SER 317 Ca 0.13 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 3fj1 n SER 317 Cb 0.17 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 3fj1 n SER 317 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3fj1 n VAL 319 N 0.68 0.00 -0.08 2.46 0.31 -0.05 -1.62 118.33 120.04 3fj1 n VAL 319 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3fj1 n VAL 319 Cb 0.07 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.98 3fj1 n VAL 319 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3fj1 h GLU 320 N 0.00 0.37 -0.81 5.55 4.22 -1.34 -1.09 114.58 121.49 3fj1 h GLU 320 Ca 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.39 3fj1 h GLU 320 Cb 0.00 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3fj1 h GLU 320 CO 0.00 0.29 0.44 0.00 -2.18 0.00 0.00 179.01 177.56 3fj1 h ALA 321 N 1.06 1.03 -0.03 2.92 0.00 -1.56 -0.58 119.26 122.09 3fj1 h ALA 321 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fj1 h ALA 321 Cb 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3fj1 h ALA 321 CO -0.02 0.55 0.02 0.35 0.00 0.00 0.00 179.25 180.15 3fj1 h PHE 322 N 1.12 0.04 -0.15 0.00 3.57 -1.75 -1.74 116.94 118.03 3fj1 h PHE 322 Ca 0.28 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 3fj1 h PHE 322 Cb 0.04 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3fj1 h PHE 322 CO 0.00 0.05 0.09 0.00 -2.23 0.00 0.00 178.31 176.22 3fj1 h ALA 323 N 0.98 0.19 -0.71 2.41 0.00 -0.97 -2.69 119.26 118.48 3fj1 h ALA 323 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3fj1 h ALA 323 Cb 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3fj1 h ALA 323 CO -0.00 -0.29 0.46 0.77 0.00 0.00 0.00 179.25 180.19 3fj1 h SER 324 N 0.16 0.78 -0.40 0.00 0.02 -1.05 -0.20 113.55 112.86 3fj1 h SER 324 Ca 0.05 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3fj1 h SER 324 Cb 0.05 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3fj1 h SER 324 CO -0.01 0.56 0.27 -0.33 -1.14 0.00 0.00 176.83 176.18 3fj1 h GLU 325 N 0.93 0.47 -0.62 3.45 5.08 -1.26 -2.71 114.58 119.91 3fj1 h GLU 325 Ca 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3fj1 h GLU 325 Cb -0.07 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3fj1 h GLU 325 CO -0.07 0.31 0.00 0.54 -1.00 0.00 0.00 179.01 178.78 3fj1 n ARG 326 N -4.48 4.30 -0.82 2.33 1.74 -0.82 -4.93 116.66 113.99 3fj1 n ARG 326 Ca 0.04 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 54.08 3fj1 n ARG 326 Cb 0.11 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 3fj1 n ARG 326 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fj1 n GLY 327 N 0.92 0.76 3.68 -0.13 0.00 -0.95 -4.99 105.19 104.48 3fj1 n GLY 327 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 3fj1 n GLY 327 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fj1 s ILE 328 N -3.09 4.68 -0.35 -0.61 1.01 -0.15 -4.99 121.20 117.71 3fj1 s ILE 328 Ca 0.00 1.96 -0.11 0.00 0.00 0.00 0.00 60.65 62.50 3fj1 s ILE 328 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.22 3fj1 s ILE 328 CO 0.00 -0.02 0.20 -0.62 0.00 0.00 0.00 174.94 174.50 3fj1 s ASP 329 N 1.19 5.74 0.57 3.58 -1.08 -1.26 -3.66 116.67 121.75 3fj1 s ASP 329 Ca 0.49 -0.73 0.28 0.00 -0.52 0.00 0.00 52.55 52.08 3fj1 s ASP 329 Cb -0.19 -2.04 1.50 0.00 -1.46 0.00 0.00 42.92 40.73 3fj1 s ASP 329 CO 0.17 -0.30 1.96 -0.65 0.52 0.00 0.00 175.17 176.88 3fj1 h PRO 330 N 8.43 0.00 -0.57 4.34 0.11 -1.94 -0.91 132.00 141.46 3fj1 h PRO 330 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3fj1 h PRO 330 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3fj1 h PRO 330 CO 0.65 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 3fj1 n ASP 331 N -3.91 3.53 -0.56 -2.05 8.00 -1.26 -4.83 116.55 115.45 3fj1 n ASP 331 Ca 0.08 -1.99 0.07 0.00 0.71 0.00 0.00 54.79 53.66 3fj1 n ASP 331 Cb 0.60 -0.38 0.06 0.00 -0.02 0.00 0.00 41.12 41.38 3fj1 n ASP 331 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81