#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfh s ALA 3 N 0.00 3.31 0.34 -0.72 0.00 -1.26 -4.91 121.76 118.51 1jfh s ALA 3 Ca 0.00 0.56 0.34 0.00 0.00 0.00 0.00 51.96 52.86 1jfh s ALA 3 Cb 0.00 -3.41 1.64 0.00 0.00 0.00 0.00 23.12 21.36 1jfh s ALA 3 CO 0.00 -0.43 2.10 -1.00 0.00 0.00 0.00 175.76 176.43 1jfh h PRO 4 N 6.97 0.00 -1.36 0.00 0.13 -1.97 -3.37 132.00 132.39 1jfh h PRO 4 Ca -0.37 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.44 1jfh h PRO 4 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1jfh h PRO 4 CO 0.80 0.05 -0.33 1.04 -0.23 0.00 0.00 178.00 179.33 1jfh n GLN 5 N -3.26 -1.14 -1.66 0.86 1.13 -1.26 -4.73 117.38 107.32 1jfh n GLN 5 Ca -0.01 0.92 -0.30 0.00 -1.94 0.00 0.00 57.00 55.67 1jfh n GLN 5 Cb 0.23 -5.16 0.07 0.00 0.11 0.00 0.00 30.24 25.49 1jfh n GLN 5 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1jfh s THR 6 N -2.66 3.45 0.38 5.09 -4.23 -1.26 -4.97 115.64 111.44 1jfh s THR 6 Ca 0.00 0.47 -0.27 0.00 -1.18 0.00 0.00 61.69 60.71 1jfh s THR 6 Cb 0.00 -3.29 -0.09 0.00 1.34 0.00 0.00 72.50 70.46 1jfh s THR 6 CO 0.00 -0.61 1.28 -1.58 -0.54 0.00 0.00 174.62 173.16 1jfh s GLN 7 N -5.19 4.13 0.17 3.99 0.74 -1.26 -4.88 119.66 117.36 1jfh s GLN 7 Ca 0.59 2.12 -0.33 0.00 0.05 0.00 0.00 55.36 57.79 1jfh s GLN 7 Cb -0.13 -2.87 -0.15 0.00 1.10 0.00 0.00 33.01 30.96 1jfh s GLN 7 CO 0.54 -0.34 1.31 0.45 -0.55 0.00 0.00 175.29 176.70 1jfh n SER 8 N 0.38 1.94 0.00 6.67 2.88 -1.26 -1.95 113.62 122.28 1jfh n SER 8 Ca 0.02 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1jfh n SER 8 Cb 0.43 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1jfh n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jfh n GLY 9 N 2.34 0.56 3.42 0.46 0.00 -1.26 -5.05 105.19 105.65 1jfh n GLY 9 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1jfh n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jfh s ARG 10 N -0.83 3.55 0.00 1.61 0.52 -0.82 -4.66 118.95 118.33 1jfh s ARG 10 Ca 0.00 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 1jfh s ARG 10 Cb 0.00 -2.96 0.01 0.00 0.52 0.00 0.00 34.95 32.52 1jfh s ARG 10 CO 0.00 0.06 0.78 0.25 0.02 0.00 0.00 175.30 176.41 1jfh n THR 11 N 4.07 0.53 -4.12 0.02 -2.24 -1.26 -4.74 114.28 106.54 1jfh n THR 11 Ca -0.18 -0.76 -0.11 0.00 -2.27 0.00 0.00 64.05 60.73 1jfh n THR 11 Cb 0.52 0.74 -0.11 0.00 -2.10 0.00 0.00 70.33 69.39 1jfh n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1jfh s SER 12 N -0.56 0.93 0.15 3.42 0.01 -1.26 -4.08 113.70 112.31 1jfh s SER 12 Ca 0.01 -0.83 0.09 0.00 1.31 0.00 0.00 55.95 56.53 1jfh s SER 12 Cb 0.01 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 1jfh s SER 12 CO 0.01 -0.38 -0.20 0.27 0.41 0.00 0.00 173.24 173.34 1jfh s ILE 13 N -2.79 1.88 -0.05 1.44 -4.36 -0.88 -0.52 121.20 115.92 1jfh s ILE 13 Ca 0.03 -1.81 0.05 0.00 -0.26 0.00 0.00 60.65 58.66 1jfh s ILE 13 Cb -0.00 -1.80 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 1jfh s ILE 13 CO -0.03 -0.18 -0.20 -0.69 0.24 0.00 0.00 174.94 174.07 1jfh s VAL 14 N -1.66 1.64 -0.52 8.37 1.01 -0.12 -0.48 120.40 128.64 1jfh s VAL 14 Ca 0.13 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 1jfh s VAL 14 Cb -0.08 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.95 1jfh s VAL 14 CO 0.06 0.46 0.83 -2.28 0.00 0.00 0.00 175.10 174.18 1jfh s HIS 15 N -0.06 2.89 -1.22 5.22 2.46 -0.09 -1.02 115.29 123.47 1jfh s HIS 15 Ca -0.03 -0.12 -0.10 0.00 0.47 0.00 0.00 55.06 55.29 1jfh s HIS 15 Cb -0.12 -3.87 0.20 0.00 -0.13 0.00 0.00 32.58 28.66 1jfh s HIS 15 CO 0.02 -1.21 1.63 1.28 -2.47 0.00 0.00 174.74 174.00 1jfh n LEU 16 N 7.01 6.15 -4.64 8.88 4.77 -0.99 -2.18 117.00 135.99 1jfh n LEU 16 Ca -0.00 -4.72 -0.50 0.00 -0.03 0.00 0.00 56.01 50.75 1jfh n LEU 16 Cb 0.47 -1.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.02 1jfh n LEU 16 CO 0.60 1.26 1.54 0.33 -1.33 0.00 0.00 177.39 179.79 1jfh n PHE 17 N 3.81 2.14 -0.99 -1.77 7.35 -1.20 -2.47 117.46 124.34 1jfh n PHE 17 Ca 0.35 0.13 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 1jfh n PHE 17 Cb 0.38 -2.61 0.00 0.00 0.35 0.00 0.00 39.48 37.59 1jfh n PHE 17 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1jfh n GLU 18 N 6.83 -1.38 -2.25 -4.13 -0.58 -1.26 -4.83 120.64 113.03 1jfh n GLU 18 Ca 0.27 0.35 -0.36 0.00 -0.42 0.00 0.00 57.16 57.00 1jfh n GLU 18 Cb 0.26 -4.41 -0.00 0.00 -0.57 0.00 0.00 31.44 26.72 1jfh n GLU 18 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1jfh s TRP 19 N -1.30 2.73 0.44 -0.32 0.52 -1.03 -4.90 118.94 115.07 1jfh s TRP 19 Ca 0.00 1.54 -0.20 0.00 0.02 0.00 0.00 56.10 57.46 1jfh s TRP 19 Cb 0.00 -3.33 -0.11 0.00 -1.15 0.00 0.00 33.47 28.89 1jfh s TRP 19 CO 0.00 -1.57 0.96 1.03 0.02 0.00 0.00 176.95 177.38 1jfh s ARG 20 N -3.09 4.19 0.24 4.98 0.52 -1.26 -4.78 118.95 119.74 1jfh s ARG 20 Ca 0.70 1.10 -0.05 0.00 -0.52 0.00 0.00 55.73 56.95 1jfh s ARG 20 Cb -0.26 -2.17 0.36 0.00 0.52 0.00 0.00 34.95 33.40 1jfh s ARG 20 CO 0.30 -0.07 1.82 -1.49 0.02 0.00 0.00 175.30 175.88 1jfh h TRP 21 N 1.77 0.87 -0.45 -0.53 -0.00 -1.43 -1.94 115.95 114.24 1jfh h TRP 21 Ca -0.49 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.38 1jfh h TRP 21 Cb 1.18 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 30.05 1jfh h TRP 21 CO 0.62 0.39 0.07 -0.39 -0.00 0.00 0.00 178.44 179.14 1jfh h VAL 22 N 0.83 1.21 -0.20 1.49 -1.51 -1.83 -1.61 116.25 114.63 1jfh h VAL 22 Ca 0.38 -0.79 -0.17 0.00 -1.23 0.00 0.00 66.70 64.89 1jfh h VAL 22 Cb 0.28 0.79 -0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1jfh h VAL 22 CO -0.22 0.28 -0.55 0.44 -1.23 0.00 0.00 177.57 176.30 1jfh h ASP 23 N 0.66 0.67 -0.44 4.19 3.32 -1.78 -2.65 116.42 120.40 1jfh h ASP 23 Ca 0.15 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 56.69 1jfh h ASP 23 Cb 0.30 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1jfh h ASP 23 CO 0.00 1.09 -0.28 0.40 -1.72 0.00 0.00 179.24 178.73 1jfh h ILE 24 N 0.46 1.27 -0.45 0.35 2.04 -1.11 -0.87 117.51 119.21 1jfh h ILE 24 Ca 0.01 -1.45 0.01 0.00 1.00 0.00 0.00 64.86 64.43 1jfh h ILE 24 Cb 1.11 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 1jfh h ILE 24 CO 0.11 0.49 0.28 0.00 0.00 0.00 0.00 178.15 179.03 1jfh h ALA 25 N 0.85 0.57 -0.44 1.87 0.00 -1.25 -0.19 119.26 120.67 1jfh h ALA 25 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1jfh h ALA 25 Cb 0.86 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1jfh h ALA 25 CO 0.08 -0.02 0.09 -0.07 0.00 0.00 0.00 179.25 179.32 1jfh h LEU 26 N 0.56 0.69 -1.27 0.00 3.38 -1.37 -2.83 115.31 114.47 1jfh h LEU 26 Ca 0.17 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1jfh h LEU 26 Cb -0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1jfh h LEU 26 CO -0.06 0.76 0.50 -0.08 0.09 0.00 0.00 178.44 179.64 1jfh h GLU 27 N 0.59 0.98 -0.38 1.13 4.57 -0.66 -0.28 114.58 120.54 1jfh h GLU 27 Ca 0.14 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1jfh h GLU 27 Cb 0.35 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1jfh h GLU 27 CO 0.01 0.65 0.19 0.00 -1.18 0.00 0.00 179.01 178.67 1jfh h GLU 29 N 0.47 0.46 0.00 0.00 5.08 -1.19 0.93 114.58 120.34 1jfh h GLU 29 Ca 0.13 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1jfh h GLU 29 Cb 0.11 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1jfh h GLU 29 CO -0.02 0.95 -0.55 0.07 -1.00 0.00 0.00 179.01 178.47 1jfh h ARG 30 N 0.06 0.00 0.00 2.33 0.11 -1.11 -3.43 114.38 112.34 1jfh h ARG 30 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1jfh h ARG 30 Cb 0.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 1jfh h ARG 30 CO 0.08 0.00 0.00 0.98 0.10 0.00 0.00 179.97 181.13 1jfh n TYR 31 N -2.22 -2.36 -0.31 4.08 9.36 -0.14 -4.86 117.16 120.71 1jfh n TYR 31 Ca 0.03 0.45 0.03 0.00 3.32 0.00 0.00 57.90 61.73 1jfh n TYR 31 Cb 0.45 0.73 0.17 0.00 -0.63 0.00 0.00 39.34 40.07 1jfh n TYR 31 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1jfh h LEU 32 N 0.00 0.75 0.73 2.98 3.38 -1.05 0.03 115.31 122.13 1jfh h LEU 32 Ca 0.00 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1jfh h LEU 32 Cb 0.00 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1jfh h LEU 32 CO 0.00 0.43 -0.35 1.23 0.09 0.00 0.00 178.44 179.84 1jfh h GLY 33 N 0.86 -1.03 1.72 0.83 0.00 -1.03 -1.50 103.07 102.93 1jfh h GLY 33 Ca 0.41 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 48.10 1jfh h GLY 33 CO -0.24 -0.37 0.08 -2.55 0.00 0.00 0.00 176.54 173.46 1jfh h PRO 34 N -1.21 0.36 -0.15 4.80 0.11 -1.77 -2.83 132.00 131.31 1jfh h PRO 34 Ca -0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1jfh h PRO 34 Cb 0.77 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1jfh h PRO 34 CO 0.17 0.32 0.00 1.63 -0.21 0.00 0.00 178.00 179.91 1jfh n LYS 35 N -4.41 1.47 -1.17 1.05 4.76 -0.01 -4.94 118.16 114.91 1jfh n LYS 35 Ca 0.01 -0.72 -0.04 0.00 -2.87 0.00 0.00 58.31 54.69 1jfh n LYS 35 Cb 0.14 -1.27 -0.01 0.00 -1.84 0.00 0.00 35.03 32.05 1jfh n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jfh n GLY 36 N 0.93 0.63 3.74 0.72 0.00 -1.07 -4.69 105.19 105.45 1jfh n GLY 36 Ca 0.12 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1jfh n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jfh s PHE 37 N -2.14 3.67 0.10 1.61 0.40 -0.58 -4.57 117.98 116.48 1jfh s PHE 37 Ca 0.00 1.69 -0.09 0.00 -0.60 0.00 0.00 56.93 57.93 1jfh s PHE 37 Cb 0.00 -3.21 -0.16 0.00 0.51 0.00 0.00 43.02 40.17 1jfh s PHE 37 CO 0.00 -0.35 1.25 0.78 0.70 0.00 0.00 175.22 177.61 1jfh h GLY 38 N 4.80 0.63 -1.50 4.36 0.00 -1.11 -3.43 103.07 106.82 1jfh h GLY 38 Ca -0.45 -1.09 0.18 0.00 0.00 0.00 0.00 47.33 45.97 1jfh h GLY 38 CO 0.71 0.96 0.62 -0.32 0.00 0.00 0.00 176.54 178.51 1jfh s GLY 39 N -4.34 0.11 -0.05 4.60 0.00 -1.01 -1.52 107.32 105.11 1jfh s GLY 39 Ca -0.08 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.32 1jfh s GLY 39 CO 0.89 2.96 -0.06 0.14 0.00 0.00 0.00 173.10 177.03 1jfh s VAL 40 N -2.09 0.67 -0.24 1.40 1.01 0.26 -0.94 120.40 120.46 1jfh s VAL 40 Ca 0.23 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 1jfh s VAL 40 Cb -0.03 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1jfh s VAL 40 CO 0.05 0.25 0.42 -1.58 0.00 0.00 0.00 175.10 174.24 1jfh s GLN 41 N 0.82 4.09 0.24 2.72 0.74 -0.19 -0.32 119.66 127.76 1jfh s GLN 41 Ca -0.12 0.17 0.05 0.00 0.05 0.00 0.00 55.36 55.50 1jfh s GLN 41 Cb -0.15 -3.61 -0.03 0.00 1.10 0.00 0.00 33.01 30.32 1jfh s GLN 41 CO 0.01 -0.20 0.37 0.14 -0.55 0.00 0.00 175.29 175.05 1jfh s VAL 42 N 1.84 5.25 0.83 1.34 -7.23 -0.53 -2.35 120.40 119.56 1jfh s VAL 42 Ca 0.18 -0.95 -0.11 0.00 -1.81 0.00 0.00 61.98 59.29 1jfh s VAL 42 Cb -0.15 -3.86 0.09 0.00 0.56 0.00 0.00 36.38 33.02 1jfh s VAL 42 CO 0.09 -0.33 1.09 -0.44 -0.31 0.00 0.00 175.10 175.20 1jfh s SER 43 N -3.96 3.97 -0.21 4.85 0.01 -1.26 -3.32 113.70 113.78 1jfh s SER 43 Ca 0.34 1.69 -0.38 0.00 1.31 0.00 0.00 55.95 58.92 1jfh s SER 43 Cb -0.09 -2.37 -0.14 0.00 0.21 0.00 0.00 66.02 63.63 1jfh s SER 43 CO 0.29 -2.36 1.81 -2.65 0.41 0.00 0.00 173.24 170.75 1jfh n PRO 44 N -3.72 1.56 0.00 12.44 -0.02 -1.26 -4.57 135.00 139.43 1jfh n PRO 44 Ca 0.08 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.28 1jfh n PRO 44 Cb 0.54 -2.33 0.62 0.00 -0.02 0.00 0.00 33.50 32.31 1jfh n PRO 44 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1jfh n PRO 45 N 5.96 0.40 -3.10 0.52 -0.04 -1.26 -4.91 135.00 132.58 1jfh n PRO 45 Ca 0.25 -0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 63.31 1jfh n PRO 45 Cb 0.20 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 1jfh n PRO 45 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jfh s ASN 46 N -2.66 6.55 0.22 3.54 4.22 -1.26 -2.95 114.94 122.60 1jfh s ASN 46 Ca 0.24 1.01 -0.32 0.00 -2.14 0.00 0.00 52.86 51.65 1jfh s ASN 46 Cb 0.20 -2.27 -0.13 0.00 1.28 0.00 0.00 41.25 40.32 1jfh s ASN 46 CO 0.51 -0.27 1.47 1.21 -2.04 0.00 0.00 177.10 177.97 1jfh n GLU 47 N -0.92 2.12 -4.45 3.55 2.13 0.04 -4.79 120.64 118.32 1jfh n GLU 47 Ca 0.01 0.76 -0.22 0.00 0.66 0.00 0.00 57.16 58.37 1jfh n GLU 47 Cb 0.54 -2.45 -0.11 0.00 0.27 0.00 0.00 31.44 29.69 1jfh n GLU 47 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1jfh s ASN 48 N 0.46 2.47 0.44 4.31 4.22 -1.26 -1.55 114.94 124.03 1jfh s ASN 48 Ca 0.70 -1.35 -0.21 0.00 -2.14 0.00 0.00 52.86 49.86 1jfh s ASN 48 Cb -0.64 -0.11 -0.10 0.00 1.28 0.00 0.00 41.25 41.68 1jfh s ASN 48 CO 0.47 -0.57 0.99 0.54 -2.04 0.00 0.00 177.10 176.49 1jfh s VAL 49 N -3.24 4.11 -0.29 3.54 0.11 -0.74 -1.42 120.40 122.46 1jfh s VAL 49 Ca 0.35 1.36 -0.19 0.00 -2.93 0.00 0.00 61.98 60.57 1jfh s VAL 49 Cb 0.08 -3.57 -0.02 0.00 -1.53 0.00 0.00 36.38 31.34 1jfh s VAL 49 CO 0.15 -0.24 0.56 -0.69 -3.33 0.00 0.00 175.10 171.55 1jfh s VAL 50 N -2.03 5.01 -0.29 2.04 1.01 -0.30 -4.75 120.40 121.09 1jfh s VAL 50 Ca 0.63 0.79 -0.10 0.00 0.00 0.00 0.00 61.98 63.30 1jfh s VAL 50 Cb -0.13 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1jfh s VAL 50 CO 0.17 -0.05 0.15 -0.69 0.00 0.00 0.00 175.10 174.68 1jfh s VAL 51 N 2.44 4.83 -0.34 2.92 1.01 -1.26 -4.88 120.40 125.13 1jfh s VAL 51 Ca 0.22 -0.13 0.22 0.00 0.00 0.00 0.00 61.98 62.30 1jfh s VAL 51 Cb -0.15 -3.36 -0.21 0.00 0.00 0.00 0.00 36.38 32.66 1jfh s VAL 51 CO 0.11 0.20 0.76 0.35 0.00 0.00 0.00 175.10 176.52 1jfh n THR 52 N 5.01 0.14 -3.67 3.92 -2.24 -1.26 -1.27 114.28 114.90 1jfh n THR 52 Ca -0.14 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 60.96 1jfh n THR 52 Cb 0.51 0.13 -0.15 0.00 -2.10 0.00 0.00 70.33 68.72 1jfh n THR 52 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jfh s ASN 53 N -4.30 3.86 1.04 3.42 2.47 -1.26 -2.73 114.94 117.44 1jfh s ASN 53 Ca -0.02 -1.58 -0.13 0.00 0.42 0.00 0.00 52.86 51.55 1jfh s ASN 53 Cb 0.14 -0.71 0.21 0.00 -1.45 0.00 0.00 41.25 39.44 1jfh s ASN 53 CO 0.86 -0.42 1.09 -2.16 -3.72 0.00 0.00 177.10 172.75 1jfh s PRO 54 N 1.71 0.05 -0.62 0.43 0.04 -1.26 -5.06 135.00 130.29 1jfh s PRO 54 Ca 0.10 0.42 -0.27 0.00 0.04 0.00 0.00 61.00 61.30 1jfh s PRO 54 Cb -0.17 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1jfh s PRO 54 CO -0.27 -2.96 1.79 0.45 0.04 0.00 0.00 177.00 176.04 1jfh s SER 55 N -3.47 5.40 -1.03 6.66 0.15 -1.10 -4.24 113.70 116.06 1jfh s SER 55 Ca 0.66 0.28 -0.16 0.00 0.70 0.00 0.00 55.95 57.43 1jfh s SER 55 Cb -0.18 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1jfh s SER 55 CO 0.58 -2.29 0.73 0.54 1.20 0.00 0.00 173.24 174.00 1jfh n ARG 56 N 9.17 -1.13 -1.40 5.44 5.12 -0.40 -4.67 116.66 128.79 1jfh n ARG 56 Ca 0.18 0.59 -0.31 0.00 -1.93 0.00 0.00 57.85 56.38 1jfh n ARG 56 Cb 0.52 -3.66 0.08 0.00 -1.16 0.00 0.00 32.46 28.23 1jfh n ARG 56 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1jfh s PRO 57 N -5.63 2.44 0.38 5.56 0.04 -1.26 -3.84 135.00 132.68 1jfh s PRO 57 Ca 0.32 1.20 0.06 0.00 0.04 0.00 0.00 61.00 62.62 1jfh s PRO 57 Cb -0.13 -1.92 0.75 0.00 0.04 0.00 0.00 34.50 33.24 1jfh s PRO 57 CO 0.87 -1.51 1.96 0.11 0.04 0.00 0.00 177.00 178.48 1jfh h TRP 58 N -0.83 0.49 0.00 0.56 5.08 -1.70 -2.93 115.95 116.61 1jfh h TRP 58 Ca -0.44 -0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.51 1jfh h TRP 58 Cb 1.23 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 1jfh h TRP 58 CO 0.58 0.42 0.00 -2.67 -1.28 0.00 0.00 178.44 175.48 1jfh n TRP 59 N -4.37 0.00 0.28 0.12 4.27 -1.26 -2.92 117.44 113.55 1jfh n TRP 59 Ca 0.02 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.79 1jfh n TRP 59 Cb 0.16 -0.23 0.75 0.00 -1.36 0.00 0.00 31.31 30.63 1jfh n TRP 59 CO 0.00 0.00 0.00 1.05 -2.29 0.00 0.00 177.69 176.45 1jfh h GLU 60 N 0.00 0.00 0.00 -2.67 4.11 -1.84 -2.00 114.58 112.18 1jfh h GLU 60 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jfh h GLU 60 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1jfh h GLU 60 CO 0.00 0.06 0.00 0.54 0.07 0.00 0.00 179.01 179.68 1jfh n ARG 61 N -3.24 0.33 -0.87 1.06 1.74 -1.15 -2.39 116.66 112.14 1jfh n ARG 61 Ca -0.01 0.08 -0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1jfh n ARG 61 Cb 0.27 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.48 1jfh n ARG 61 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1jfh n TYR 62 N -1.27 1.90 -3.48 -1.55 4.01 -0.75 -4.64 117.16 111.39 1jfh n TYR 62 Ca 0.10 -1.25 -0.27 0.00 -0.16 0.00 0.00 57.90 56.33 1jfh n TYR 62 Cb 0.16 -0.59 -0.10 0.00 -0.31 0.00 0.00 39.34 38.51 1jfh n TYR 62 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1jfh n GLN 63 N -0.49 0.95 -1.81 -0.72 6.02 -1.01 -4.90 117.38 115.43 1jfh n GLN 63 Ca 0.36 -3.67 -0.38 0.00 -0.01 0.00 0.00 57.00 53.30 1jfh n GLN 63 Cb 1.23 -1.80 0.04 0.00 1.02 0.00 0.00 30.24 30.74 1jfh n GLN 63 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1jfh s PRO 64 N -0.83 3.07 0.00 -1.09 0.02 -1.25 -1.79 135.00 133.13 1jfh s PRO 64 Ca 0.32 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1jfh s PRO 64 Cb 0.06 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1jfh s PRO 64 CO -0.16 -1.22 0.00 1.33 -0.33 0.00 0.00 177.00 176.62 1jfh n VAL 65 N -1.16 0.00 -3.76 3.83 0.24 -0.60 -1.70 118.33 115.18 1jfh n VAL 65 Ca 0.11 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.38 1jfh n VAL 65 Cb 0.46 0.33 0.02 0.00 -1.47 0.00 0.00 33.84 33.18 1jfh n VAL 65 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1jfh n SER 66 N -1.18 -1.49 -0.91 -1.34 3.41 -1.22 -4.71 113.62 106.17 1jfh n SER 66 Ca 0.00 -1.85 0.09 0.00 -0.26 0.00 0.00 58.87 56.84 1jfh n SER 66 Cb 0.02 2.44 0.26 0.00 -0.26 0.00 0.00 64.21 66.67 1jfh n SER 66 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1jfh n TYR 67 N -0.54 0.96 -2.62 7.33 4.01 -1.26 -3.63 117.16 121.40 1jfh n TYR 67 Ca -0.03 -0.87 -0.41 0.00 -0.16 0.00 0.00 57.90 56.44 1jfh n TYR 67 Cb 0.47 -0.31 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 1jfh n TYR 67 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1jfh s LYS 68 N -2.78 4.65 -1.23 -0.72 1.02 -1.26 -4.81 119.74 114.61 1jfh s LYS 68 Ca 0.42 1.59 -0.19 0.00 0.02 0.00 0.00 55.97 57.81 1jfh s LYS 68 Cb 0.34 -3.32 0.06 0.00 -0.52 0.00 0.00 37.83 34.39 1jfh s LYS 68 CO 0.09 0.16 1.68 -0.51 -0.92 0.00 0.00 175.35 175.84 1jfh s LEU 69 N -0.23 3.74 -0.29 3.17 1.43 -1.26 -0.78 118.68 124.45 1jfh s LEU 69 Ca 0.48 -2.19 0.03 0.00 -1.03 0.00 0.00 54.13 51.42 1jfh s LEU 69 Cb -0.27 -2.58 0.17 0.00 0.03 0.00 0.00 46.19 43.55 1jfh s LEU 69 CO 0.32 -1.30 0.45 0.00 0.23 0.00 0.00 176.35 176.06 1jfh n THR 71 N 5.33 0.00 0.31 0.00 -2.24 -0.47 -3.89 114.28 113.31 1jfh n THR 71 Ca 0.02 -0.97 0.17 0.00 -2.27 0.00 0.00 64.05 60.99 1jfh n THR 71 Cb 0.50 0.48 0.68 0.00 -2.10 0.00 0.00 70.33 69.89 1jfh n THR 71 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1jfh h ARG 72 N 0.00 0.00 0.00 -0.78 3.08 -1.95 -1.98 114.38 112.75 1jfh h ARG 72 Ca -0.10 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1jfh h ARG 72 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1jfh h ARG 72 CO 0.14 0.00 -0.32 0.77 -1.07 0.00 0.00 179.97 179.49 1jfh h SER 73 N 0.00 0.00 -2.50 7.04 0.02 -1.90 -3.43 113.55 112.78 1jfh h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jfh h SER 73 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1jfh h SER 73 CO 0.00 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.62 1jfh n GLY 74 N 0.79 -0.35 4.03 -3.77 0.00 -0.75 -1.05 105.19 104.09 1jfh n GLY 74 Ca 0.02 -1.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 1jfh n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jfh s ASN 75 N -0.82 5.04 0.24 1.61 0.02 -1.26 -1.37 114.94 118.40 1jfh s ASN 75 Ca 0.00 -0.90 -0.05 0.00 -1.02 0.00 0.00 52.86 50.89 1jfh s ASN 75 Cb 0.00 0.39 0.32 0.00 0.02 0.00 0.00 41.25 41.97 1jfh s ASN 75 CO 0.00 -1.38 1.88 -0.08 0.02 0.00 0.00 177.10 177.53 1jfh h GLU 76 N 0.16 1.07 -0.12 -0.60 4.81 -1.50 -1.32 114.58 117.08 1jfh h GLU 76 Ca -0.29 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1jfh h GLU 76 Cb 1.29 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1jfh h GLU 76 CO 0.41 0.70 -0.07 -0.97 -0.73 0.00 0.00 179.01 178.36 1jfh h ASN 77 N 1.10 -0.22 0.26 1.04 -0.00 -1.96 -0.23 115.58 115.57 1jfh h ASN 77 Ca 0.38 0.05 -0.09 0.00 -0.00 0.00 0.00 56.30 56.64 1jfh h ASN 77 Cb 0.08 0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.51 1jfh h ASN 77 CO -0.14 -0.09 -0.38 -0.33 -0.00 0.00 0.00 177.43 176.49 1jfh h GLU 78 N -0.06 0.17 -0.21 6.67 5.08 -1.88 -2.06 114.58 122.28 1jfh h GLU 78 Ca 0.07 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1jfh h GLU 78 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1jfh h GLU 78 CO -0.16 0.53 -0.11 0.35 -1.00 0.00 0.00 179.01 178.62 1jfh h PHE 79 N 0.15 0.52 -0.58 4.33 3.57 -0.79 -1.78 116.94 122.35 1jfh h PHE 79 Ca 0.02 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 1jfh h PHE 79 Cb 0.74 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1jfh h PHE 79 CO 0.01 0.74 0.27 0.00 -2.23 0.00 0.00 178.31 177.09 1jfh h ARG 80 N 0.16 0.85 -0.80 1.11 3.08 -0.92 -1.82 114.38 116.03 1jfh h ARG 80 Ca 0.05 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1jfh h ARG 80 Cb 0.60 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1jfh h ARG 80 CO 0.03 0.70 0.48 0.22 -1.07 0.00 0.00 179.97 180.33 1jfh h ASP 81 N 0.79 0.97 -0.20 7.04 3.58 -1.35 -1.46 116.42 125.79 1jfh h ASP 81 Ca 0.20 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1jfh h ASP 81 Cb 0.14 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1jfh h ASP 81 CO -0.02 0.75 0.07 -0.03 -2.88 0.00 0.00 179.24 177.13 1jfh h MET 82 N 1.10 0.30 -0.44 0.28 4.05 -1.01 -0.64 114.93 118.57 1jfh h MET 82 Ca 0.29 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 1jfh h MET 82 Cb -0.03 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 1jfh h MET 82 CO -0.05 0.38 0.27 0.28 0.23 0.00 0.00 176.91 178.02 1jfh h VAL 83 N 0.15 1.13 0.22 -5.77 2.07 -1.15 -1.12 116.25 111.79 1jfh h VAL 83 Ca 0.06 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1jfh h VAL 83 Cb 0.20 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1jfh h VAL 83 CO -0.00 0.13 -0.11 0.74 0.02 0.00 0.00 177.57 178.35 1jfh h THR 84 N 0.58 0.81 -0.89 2.57 2.02 -1.18 -1.36 112.91 115.46 1jfh h THR 84 Ca 0.16 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1jfh h THR 84 Cb -0.02 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1jfh h THR 84 CO -0.03 0.04 0.52 0.03 0.37 0.00 0.00 175.52 176.45 1jfh h ARG 85 N -0.38 1.22 -0.23 6.66 3.08 -1.00 -1.55 114.38 122.19 1jfh h ARG 85 Ca -0.03 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 1jfh h ARG 85 Cb 0.29 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1jfh h ARG 85 CO 0.05 0.87 -0.27 0.00 -1.07 0.00 0.00 179.97 179.55 1jfh h ASN 87 N 0.28 0.82 0.50 0.00 2.35 -1.05 -0.32 115.58 118.17 1jfh h ASN 87 Ca 0.03 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1jfh h ASN 87 Cb 0.84 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1jfh h ASN 87 CO 0.07 0.66 0.00 0.78 -1.65 0.00 0.00 177.43 177.29 1jfh h ASN 88 N 0.93 0.00 -0.31 5.81 2.35 -1.20 -2.14 115.58 121.01 1jfh h ASN 88 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1jfh h ASN 88 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1jfh h ASN 88 CO -0.04 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.07 1jfh n VAL 89 N -3.05 1.68 -1.00 2.81 0.24 -0.75 -4.97 118.33 113.29 1jfh n VAL 89 Ca -0.01 -1.45 0.00 0.00 -2.04 0.00 0.00 64.34 60.84 1jfh n VAL 89 Cb 0.18 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1jfh n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jfh n GLY 90 N 0.02 0.40 3.30 7.63 0.00 -0.81 -4.61 105.19 111.12 1jfh n GLY 90 Ca 0.17 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 1jfh n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jfh s VAL 91 N -2.00 3.35 0.64 1.61 1.01 -0.20 -4.47 120.40 120.33 1jfh s VAL 91 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1jfh s VAL 91 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1jfh s VAL 91 CO 0.00 0.35 1.04 -0.13 0.00 0.00 0.00 175.10 176.36 1jfh s ARG 92 N 1.46 3.31 -0.09 2.72 1.81 -0.58 -2.88 118.95 124.70 1jfh s ARG 92 Ca 0.05 0.60 0.04 0.00 -1.72 0.00 0.00 55.73 54.70 1jfh s ARG 92 Cb -0.15 -2.08 -0.00 0.00 -0.45 0.00 0.00 34.95 32.27 1jfh s ARG 92 CO -0.03 -0.72 -0.23 0.42 -0.68 0.00 0.00 175.30 174.05 1jfh s ILE 93 N -3.22 1.98 -0.15 1.52 -1.09 -1.26 -0.57 121.20 118.40 1jfh s ILE 93 Ca 0.56 -0.98 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 1jfh s ILE 93 Cb -0.11 -1.71 0.01 0.00 -1.58 0.00 0.00 42.46 39.08 1jfh s ILE 93 CO 0.53 0.54 -0.20 -0.31 -1.23 0.00 0.00 174.94 174.27 1jfh s TYR 94 N 0.28 2.54 0.01 3.97 2.02 0.56 -1.08 117.35 125.65 1jfh s TYR 94 Ca -0.16 -1.35 -0.19 0.00 -0.37 0.00 0.00 57.07 55.00 1jfh s TYR 94 Cb -0.17 -1.76 -0.06 0.00 -0.40 0.00 0.00 41.96 39.57 1jfh s TYR 94 CO 0.08 -0.65 0.54 0.08 -1.57 0.00 0.00 175.55 174.03 1jfh s VAL 95 N 1.03 4.90 -0.64 0.71 1.01 -0.66 -1.45 120.40 125.29 1jfh s VAL 95 Ca -0.03 1.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.83 1jfh s VAL 95 Cb -0.14 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.40 1jfh s VAL 95 CO -0.06 0.48 1.16 -0.62 0.00 0.00 0.00 175.10 176.06 1jfh s ASP 96 N -0.55 6.29 -0.48 3.32 -1.08 -1.21 -0.70 116.67 122.26 1jfh s ASP 96 Ca 0.29 -0.30 -0.20 0.00 -0.52 0.00 0.00 52.55 51.81 1jfh s ASP 96 Cb -0.18 -2.52 0.04 0.00 -1.46 0.00 0.00 42.92 38.80 1jfh s ASP 96 CO 0.16 -1.57 0.66 0.00 0.52 0.00 0.00 175.17 174.95 1jfh s ALA 97 N 4.97 3.34 -0.68 3.66 0.00 0.26 -4.24 121.76 129.07 1jfh s ALA 97 Ca 0.35 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 1jfh s ALA 97 Cb -0.10 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 19.78 1jfh s ALA 97 CO 0.19 -1.94 0.81 0.08 0.00 0.00 0.00 175.76 174.89 1jfh s VAL 98 N 2.84 4.82 0.00 0.00 1.01 -1.26 -1.45 120.40 126.36 1jfh s VAL 98 Ca 0.20 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1jfh s VAL 98 Cb -0.16 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.66 1jfh s VAL 98 CO 0.16 -1.22 0.49 2.30 0.00 0.00 0.00 175.10 176.83 1jfh n ILE 99 N 5.43 0.09 0.08 2.22 -5.35 -1.26 -4.72 119.36 115.84 1jfh n ILE 99 Ca -0.01 -0.49 -0.03 0.00 -0.27 0.00 0.00 62.75 61.95 1jfh n ILE 99 Cb 0.44 1.06 -0.07 0.00 -1.74 0.00 0.00 39.64 39.34 1jfh n ILE 99 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1jfh h ASN 100 N 0.00 0.00 -5.34 7.28 -1.24 -1.88 -3.46 115.58 110.94 1jfh h ASN 100 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.83 1jfh h ASN 100 Cb 0.11 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.10 1jfh h ASN 100 CO 0.00 0.80 -0.04 -1.38 -1.29 0.00 0.00 177.43 175.52 1jfh s HIS 101 N -2.80 0.71 0.00 0.67 -3.43 -1.26 -1.72 115.29 107.46 1jfh s HIS 101 Ca 0.02 -1.08 0.00 0.00 -0.80 0.00 0.00 55.06 53.19 1jfh s HIS 101 Cb 0.09 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.46 1jfh s HIS 101 CO 0.79 -1.25 0.00 -1.33 -2.00 0.00 0.00 174.74 170.95 1jfh n MET 102 N -0.54 3.07 -2.13 -0.38 2.81 -0.65 -4.57 117.12 114.73 1jfh n MET 102 Ca -0.02 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.59 1jfh n MET 102 Cb 0.61 0.00 0.16 0.00 -0.71 0.00 0.00 33.22 33.28 1jfh n MET 102 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jfh s GLY 104 N -4.82 2.27 0.59 0.00 0.00 -1.26 -2.03 107.32 102.07 1jfh s GLY 104 Ca 0.71 1.28 0.31 0.00 0.00 0.00 0.00 44.72 47.02 1jfh s GLY 104 CO 0.50 2.27 2.24 1.48 0.00 0.00 0.00 173.10 179.59 1jfh h SER 105 N 5.31 0.00 -0.64 1.64 4.64 -1.16 -1.98 113.55 121.36 1jfh h SER 105 Ca -0.45 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.76 1jfh h SER 105 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 1jfh h SER 105 CO 0.79 0.02 0.13 0.61 -0.87 0.00 0.00 176.83 177.51 1jfh n GLY 106 N -1.18 3.38 3.88 -0.77 0.00 -1.26 -4.21 105.19 105.04 1jfh n GLY 106 Ca -0.03 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 1jfh n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfh s ALA 107 N -2.89 3.35 0.53 4.61 0.00 -0.75 -5.06 121.76 121.55 1jfh s ALA 107 Ca 0.55 -0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.04 1jfh s ALA 107 Cb 0.43 -2.69 -0.07 0.00 0.00 0.00 0.00 23.12 20.79 1jfh s ALA 107 CO 0.14 -0.13 1.03 0.00 0.00 0.00 0.00 175.76 176.80 1jfh s ALA 108 N -2.51 2.88 0.13 0.00 0.00 -1.26 -4.54 121.76 116.45 1jfh s ALA 108 Ca 0.50 0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.66 1jfh s ALA 108 Cb -0.10 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 1jfh s ALA 108 CO 0.36 -0.44 0.68 0.00 0.00 0.00 0.00 175.76 176.36 1jfh s ALA 109 N -2.31 3.51 0.00 0.00 0.00 -1.26 -4.75 121.76 116.95 1jfh s ALA 109 Ca 0.64 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1jfh s ALA 109 Cb -0.14 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1jfh s ALA 109 CO 0.28 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.79 1jfh n GLY 110 N 1.58 -0.20 1.26 0.00 0.00 -0.95 -4.94 105.19 101.94 1jfh n GLY 110 Ca -0.08 -1.29 -0.04 0.00 0.00 0.00 0.00 46.02 44.61 1jfh n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jfh n THR 111 N 9.00 2.59 -1.70 2.61 -2.24 -1.26 -2.63 114.28 120.66 1jfh n THR 111 Ca 0.00 -2.45 -0.42 0.00 -2.27 0.00 0.00 64.05 58.91 1jfh n THR 111 Cb 0.00 -0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1jfh n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jfh n GLY 112 N -0.98 4.39 3.19 3.38 0.00 -1.26 -4.45 105.19 109.45 1jfh n GLY 112 Ca 0.34 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 1jfh n GLY 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jfh s THR 113 N 3.16 0.78 -0.77 2.61 -4.23 -1.26 -1.14 115.64 114.78 1jfh s THR 113 Ca 0.49 -1.96 0.12 0.00 -1.18 0.00 0.00 61.69 59.15 1jfh s THR 113 Cb 0.14 -1.74 0.11 0.00 1.34 0.00 0.00 72.50 72.36 1jfh s THR 113 CO -0.09 -0.83 1.37 0.35 -0.54 0.00 0.00 174.62 174.89 1jfh n THR 114 N -0.08 1.34 -0.63 3.99 -2.24 -0.51 -2.87 114.28 113.29 1jfh n THR 114 Ca -0.11 0.43 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1jfh n THR 114 Cb 0.61 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1jfh n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jfh n GLY 116 N -0.11 0.77 3.77 0.00 0.00 -1.14 -5.05 105.19 103.44 1jfh n GLY 116 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jfh n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jfh s SER 117 N -2.65 5.51 0.19 1.61 0.01 -1.26 -4.83 113.70 112.27 1jfh s SER 117 Ca 0.00 2.19 -0.05 0.00 1.31 0.00 0.00 55.95 59.40 1jfh s SER 117 Cb 0.00 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.59 1jfh s SER 117 CO 0.00 -1.36 0.44 -0.47 0.41 0.00 0.00 173.24 172.26 1jfh s TYR 118 N -1.83 3.47 -0.06 2.43 5.04 -1.26 -4.42 117.35 120.71 1jfh s TYR 118 Ca 0.73 0.60 -0.28 0.00 -2.44 0.00 0.00 57.07 55.67 1jfh s TYR 118 Cb -0.25 -2.05 0.06 0.00 0.35 0.00 0.00 41.96 40.08 1jfh s TYR 118 CO 0.30 0.35 0.64 0.00 -1.34 0.00 0.00 175.55 175.50 1jfh s ASN 120 N -1.07 3.30 0.28 0.00 3.84 0.04 -2.24 114.94 119.07 1jfh s ASN 120 Ca -0.10 -2.02 0.00 0.00 0.21 0.00 0.00 52.86 50.95 1jfh s ASN 120 Cb -0.01 -0.53 0.53 0.00 -0.55 0.00 0.00 41.25 40.69 1jfh s ASN 120 CO 0.09 -0.34 1.82 -0.65 -2.79 0.00 0.00 177.10 175.23 1jfh h PRO 121 N 7.36 0.89 -0.87 0.43 0.11 -1.82 0.32 132.00 138.42 1jfh h PRO 121 Ca -0.02 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.05 1jfh h PRO 121 Cb 0.98 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.84 1jfh h PRO 121 CO 0.35 0.59 0.58 0.78 -0.21 0.00 0.00 178.00 180.09 1jfh h GLY 122 N 0.91 1.23 -2.25 -0.55 0.00 -1.82 -2.30 103.07 98.30 1jfh h GLY 122 Ca 0.48 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1jfh h GLY 122 CO -0.28 0.43 0.00 1.44 0.00 0.00 0.00 176.54 178.13 1jfh n SER 123 N -4.41 3.44 -3.79 0.19 7.64 -0.89 -4.97 113.62 110.82 1jfh n SER 123 Ca 0.10 -1.98 -0.26 0.00 1.01 0.00 0.00 58.87 57.75 1jfh n SER 123 Cb 0.05 -0.26 0.04 0.00 -1.01 0.00 0.00 64.21 63.03 1jfh n SER 123 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jfh n ARG 124 N 1.44 -5.61 -3.81 1.43 3.00 -0.02 -4.26 116.66 108.84 1jfh n ARG 124 Ca 0.19 0.64 -0.36 0.00 -0.01 0.00 0.00 57.85 58.31 1jfh n ARG 124 Cb 0.59 -5.43 -0.13 0.00 0.00 0.00 0.00 32.46 27.49 1jfh n ARG 124 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1jfh s GLU 125 N -6.32 3.44 -0.54 5.56 2.12 -0.46 -2.79 118.70 119.71 1jfh s GLU 125 Ca 0.40 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 55.17 1jfh s GLU 125 Cb -0.20 -3.23 0.19 0.00 0.26 0.00 0.00 34.13 31.15 1jfh s GLU 125 CO 0.81 -0.25 0.46 1.19 -0.54 0.00 0.00 175.26 176.93 1jfh n PHE 126 N 4.87 1.11 -0.29 5.30 3.01 -0.63 -0.78 117.46 130.04 1jfh n PHE 126 Ca -0.16 -3.79 0.20 0.00 1.01 0.00 0.00 57.45 54.71 1jfh n PHE 126 Cb 0.50 -0.21 0.49 0.00 -0.01 0.00 0.00 39.48 40.25 1jfh n PHE 126 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1jfh h PRO 127 N 5.22 0.44 0.00 -1.08 0.11 -1.78 -0.66 132.00 134.24 1jfh h PRO 127 Ca 0.20 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1jfh h PRO 127 Cb 0.82 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1jfh h PRO 127 CO 0.55 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 1jfh n ALA 128 N -2.48 1.65 -0.04 -0.75 0.00 -1.26 -4.02 120.51 113.61 1jfh n ALA 128 Ca 0.22 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.73 1jfh n ALA 128 Cb 0.75 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 1jfh n ALA 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jfh h VAL 129 N 0.00 0.00 -2.91 0.00 2.07 -1.69 -3.44 116.25 110.28 1jfh h VAL 129 Ca 0.00 -0.61 -0.62 0.00 0.82 0.00 0.00 66.70 66.29 1jfh h VAL 129 Cb 0.35 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 1jfh h VAL 129 CO 0.00 0.00 -0.46 -2.16 0.02 0.00 0.00 177.57 174.97 1jfh s PRO 130 N -1.50 3.48 0.06 1.57 0.04 -1.26 -5.03 135.00 132.36 1jfh s PRO 130 Ca -0.04 -0.31 0.08 0.00 0.04 0.00 0.00 61.00 60.78 1jfh s PRO 130 Cb 0.00 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 1jfh s PRO 130 CO 0.05 0.62 -0.22 0.71 0.04 0.00 0.00 177.00 178.20 1jfh s TYR 131 N -1.44 1.89 0.45 0.56 2.02 -0.31 -4.99 117.35 115.52 1jfh s TYR 131 Ca 0.32 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.66 1jfh s TYR 131 Cb -0.13 -1.10 -0.02 0.00 -0.40 0.00 0.00 41.96 40.32 1jfh s TYR 131 CO 0.23 0.14 0.10 -1.12 -1.57 0.00 0.00 175.55 173.32 1jfh s SER 132 N -1.41 3.25 0.42 2.29 0.01 -1.25 -1.61 113.70 115.40 1jfh s SER 132 Ca 0.08 -1.70 0.17 0.00 1.31 0.00 0.00 55.95 55.82 1jfh s SER 132 Cb -0.09 0.57 1.08 0.00 0.21 0.00 0.00 66.02 67.79 1jfh s SER 132 CO 0.03 -0.94 1.86 0.00 0.41 0.00 0.00 173.24 174.60 1jfh h ALA 133 N 1.62 2.20 -0.10 1.44 0.00 -1.70 -1.39 119.26 121.33 1jfh h ALA 133 Ca -0.37 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1jfh h ALA 133 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1jfh h ALA 133 CO 0.61 -0.48 0.00 -2.67 0.00 0.00 0.00 179.25 176.71 1jfh n TRP 134 N -4.51 0.13 0.31 0.00 2.14 -1.26 -3.30 117.44 110.96 1jfh n TRP 134 Ca 0.19 -0.07 0.09 0.00 2.07 0.00 0.00 57.50 59.79 1jfh n TRP 134 Cb 0.69 0.00 0.25 0.00 -0.81 0.00 0.00 31.31 31.44 1jfh n TRP 134 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1jfh n ASP 135 N -0.18 2.94 -4.44 -0.67 8.00 -0.52 -4.92 116.55 116.74 1jfh n ASP 135 Ca 0.13 -1.98 -0.23 0.00 0.71 0.00 0.00 54.79 53.43 1jfh n ASP 135 Cb 0.18 -0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.84 1jfh n ASP 135 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jfh s PHE 136 N -1.32 2.12 -0.80 1.24 0.08 -1.21 -0.80 117.98 117.30 1jfh s PHE 136 Ca 0.37 -0.45 0.05 0.00 0.12 0.00 0.00 56.93 57.02 1jfh s PHE 136 Cb 0.20 -1.00 0.29 0.00 -0.57 0.00 0.00 43.02 41.93 1jfh s PHE 136 CO 0.26 0.57 0.95 0.09 -0.10 0.00 0.00 175.22 176.99 1jfh n ASN 137 N -0.58 2.61 -0.22 1.36 3.02 0.33 -4.63 115.26 117.15 1jfh n ASN 137 Ca -0.06 -2.31 -0.04 0.00 -0.03 0.00 0.00 54.58 52.14 1jfh n ASN 137 Cb 0.61 -0.55 0.02 0.00 -0.61 0.00 0.00 39.78 39.25 1jfh n ASN 137 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1jfh h ASP 138 N 1.41 -1.13 0.78 6.41 3.32 -1.87 -0.18 116.42 125.16 1jfh h ASP 138 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1jfh h ASP 138 Cb 0.99 0.58 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1jfh h ASP 138 CO 0.17 -0.30 0.00 0.61 -1.72 0.00 0.00 179.24 178.00 1jfh n GLY 139 N -1.44 -1.33 0.07 2.75 0.00 -1.26 -3.47 105.19 100.52 1jfh n GLY 139 Ca 0.05 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1jfh n GLY 139 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jfh h LYS 140 N 0.00 0.03 -6.61 1.61 3.64 -1.37 -3.46 116.57 110.41 1jfh h LYS 140 Ca 0.00 -0.05 -0.52 0.00 -1.27 0.00 0.00 60.65 58.81 1jfh h LYS 140 Cb 0.39 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1jfh h LYS 140 CO 0.00 0.79 0.51 0.00 -2.27 0.00 0.00 179.45 178.48 1jfh n LYS 142 N 2.78 2.24 -2.41 0.00 5.02 -1.26 -4.98 118.16 119.53 1jfh n LYS 142 Ca 0.04 -2.02 -0.31 0.00 -2.02 0.00 0.00 58.31 54.00 1jfh n LYS 142 Cb 0.46 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1jfh n LYS 142 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jfh s THR 143 N -1.18 4.62 0.31 -0.18 -4.23 -1.26 -4.97 115.64 108.76 1jfh s THR 143 Ca 0.30 1.01 0.03 0.00 -1.18 0.00 0.00 61.69 61.85 1jfh s THR 143 Cb 0.17 -3.75 0.12 0.00 1.34 0.00 0.00 72.50 70.38 1jfh s THR 143 CO 0.23 -0.73 1.81 0.00 -0.54 0.00 0.00 174.62 175.39 1jfh h ALA 144 N 0.77 1.25 0.00 3.99 0.00 -1.94 -2.98 119.26 120.33 1jfh h ALA 144 Ca -0.46 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1jfh h ALA 144 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1jfh h ALA 144 CO 0.62 0.49 -0.80 0.66 0.00 0.00 0.00 179.25 180.22 1jfh h SER 145 N 0.48 0.00 0.00 0.00 4.64 -2.00 -3.47 113.55 113.20 1jfh h SER 145 Ca 0.09 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1jfh h SER 145 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1jfh h SER 145 CO 0.03 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1jfh n GLY 146 N 1.18 1.25 3.80 -0.77 0.00 -1.13 -5.02 105.19 104.49 1jfh n GLY 146 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1jfh n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfh n GLY 147 N -2.00 2.98 3.59 -0.02 0.00 -1.26 -1.80 105.19 106.68 1jfh n GLY 147 Ca 0.00 -2.32 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 1jfh n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jfh s ILE 148 N -2.79 4.02 -0.10 -0.61 1.01 -1.15 -4.73 121.20 116.85 1jfh s ILE 148 Ca 0.22 0.97 0.21 0.00 0.00 0.00 0.00 60.65 62.05 1jfh s ILE 148 Cb -0.02 -4.56 -0.24 0.00 0.01 0.00 0.00 42.46 37.65 1jfh s ILE 148 CO 0.14 -1.13 0.55 -0.62 0.00 0.00 0.00 174.94 173.89 1jfh n GLU 149 N 8.25 0.65 -3.72 2.79 1.02 -1.26 -4.95 120.64 123.42 1jfh n GLU 149 Ca 0.11 -0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 1jfh n GLU 149 Cb 0.49 -1.61 -0.12 0.00 -0.02 0.00 0.00 31.44 30.18 1jfh n GLU 149 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jfh s SER 150 N -4.97 -0.38 -0.01 1.62 0.15 -1.26 -5.02 113.70 103.83 1jfh s SER 150 Ca -0.06 0.69 0.09 0.00 0.70 0.00 0.00 55.95 57.37 1jfh s SER 150 Cb 0.11 0.59 0.28 0.00 -1.71 0.00 0.00 66.02 65.29 1jfh s SER 150 CO 0.86 -0.17 1.21 -1.22 1.20 0.00 0.00 173.24 175.13 1jfh n TYR 151 N 4.11 0.46 0.76 3.44 4.02 -1.26 -3.51 117.16 125.18 1jfh n TYR 151 Ca -0.23 -0.22 0.12 0.00 -0.01 0.00 0.00 57.90 57.56 1jfh n TYR 151 Cb 0.54 -0.02 0.16 0.00 -0.02 0.00 0.00 39.34 40.00 1jfh n TYR 151 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1jfh n ASN 152 N 0.41 3.13 -3.95 7.72 3.02 -1.26 -3.06 115.26 121.26 1jfh n ASN 152 Ca 0.11 -1.98 -0.31 0.00 -0.03 0.00 0.00 54.58 52.37 1jfh n ASN 152 Cb 0.30 -0.10 -0.15 0.00 -0.61 0.00 0.00 39.78 39.22 1jfh n ASN 152 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jfh s ASP 153 N -1.80 4.20 0.54 6.41 2.15 -1.23 -4.64 116.67 122.29 1jfh s ASP 153 Ca 0.32 -1.52 0.21 0.00 0.43 0.00 0.00 52.55 51.99 1jfh s ASP 153 Cb 0.21 -1.31 1.41 0.00 -0.30 0.00 0.00 42.92 42.93 1jfh s ASP 153 CO 0.31 -0.29 2.14 1.55 -0.17 0.00 0.00 175.17 178.70 1jfh h PRO 154 N 7.86 0.00 0.16 4.34 0.13 -1.88 -3.00 132.00 139.62 1jfh h PRO 154 Ca -0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1jfh h PRO 154 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1jfh h PRO 154 CO 0.45 0.00 -0.08 1.88 -0.23 0.00 0.00 178.00 180.03 1jfh h TYR 155 N 0.00 -0.20 0.00 1.56 0.05 -1.95 -2.73 116.97 113.69 1jfh h TYR 155 Ca 0.05 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 1jfh h TYR 155 Cb 0.21 0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1jfh h TYR 155 CO 0.00 0.05 -0.37 -0.56 -1.05 0.00 0.00 178.16 176.23 1jfh h GLN 156 N -0.45 0.00 -0.72 4.88 3.07 -1.87 0.14 115.11 120.16 1jfh h GLN 156 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.65 1jfh h GLN 156 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.88 1jfh h GLN 156 CO 0.04 0.37 0.20 0.28 0.09 0.00 0.00 178.83 179.81 1jfh h VAL 157 N 0.00 1.26 0.00 1.86 2.07 -1.49 -1.65 116.25 118.30 1jfh h VAL 157 Ca -0.00 -0.94 -0.16 0.00 0.82 0.00 0.00 66.70 66.41 1jfh h VAL 157 Cb 0.76 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1jfh h VAL 157 CO 0.05 0.36 -1.64 0.54 0.02 0.00 0.00 177.57 176.90 1jfh n ARG 158 N -4.24 0.64 -0.00 1.57 1.74 -1.04 -4.46 116.66 110.87 1jfh n ARG 158 Ca 0.06 0.11 0.09 0.00 -0.77 0.00 0.00 57.85 57.34 1jfh n ARG 158 Cb 0.24 -1.71 -0.12 0.00 -1.02 0.00 0.00 32.46 29.85 1jfh n ARG 158 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1jfh n ASP 159 N -2.75 0.80 -4.98 0.55 8.00 0.47 -4.62 116.55 114.03 1jfh n ASP 159 Ca -0.12 -0.60 -0.19 0.00 0.71 0.00 0.00 54.79 54.59 1jfh n ASP 159 Cb 0.83 1.31 -0.01 0.00 -0.02 0.00 0.00 41.12 43.23 1jfh n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jfh s GLN 161 N -4.20 4.23 -0.31 0.00 -0.21 -0.74 -4.76 119.66 113.66 1jfh s GLN 161 Ca 0.47 1.95 -0.29 0.00 0.02 0.00 0.00 55.36 57.51 1jfh s GLN 161 Cb -0.09 -3.80 0.01 0.00 1.00 0.00 0.00 33.01 30.13 1jfh s GLN 161 CO 0.31 -0.73 1.15 -1.17 -2.12 0.00 0.00 175.29 172.73 1jfh s LEU 162 N 3.43 3.93 -1.66 2.90 0.20 -1.25 -2.91 118.68 123.32 1jfh s LEU 162 Ca 0.64 1.12 -0.10 0.00 0.69 0.00 0.00 54.13 56.48 1jfh s LEU 162 Cb -0.29 -3.54 0.10 0.00 -0.43 0.00 0.00 46.19 42.03 1jfh s LEU 162 CO 0.23 -0.94 0.36 1.33 -0.29 0.00 0.00 176.35 177.05 1jfh n VAL 163 N 5.96 -1.00 -1.04 1.68 0.24 -1.26 -0.65 118.33 122.26 1jfh n VAL 163 Ca 0.13 -0.28 -0.01 0.00 -2.04 0.00 0.00 64.34 62.14 1jfh n VAL 163 Cb 0.47 -1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 31.64 1jfh n VAL 163 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jfh n GLY 164 N -1.86 0.44 3.74 7.63 0.00 -1.25 -4.96 105.19 108.93 1jfh n GLY 164 Ca -0.13 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1jfh n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jfh s LEU 165 N -0.28 4.39 -0.09 0.99 1.43 0.17 -0.56 118.68 124.74 1jfh s LEU 165 Ca 0.00 1.32 -0.32 0.00 -1.03 0.00 0.00 54.13 54.09 1jfh s LEU 165 Cb 0.00 -3.14 -0.10 0.00 0.03 0.00 0.00 46.19 42.98 1jfh s LEU 165 CO 0.00 -0.02 1.99 0.18 0.23 0.00 0.00 176.35 178.73 1jfh n LEU 166 N 3.17 3.53 -4.62 1.79 4.77 -0.86 -3.90 117.00 120.88 1jfh n LEU 166 Ca -0.02 0.79 -0.42 0.00 -0.03 0.00 0.00 56.01 56.32 1jfh n LEU 166 Cb 0.51 -1.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.12 1jfh n LEU 166 CO 0.47 -0.13 0.65 -0.62 -1.33 0.00 0.00 177.39 176.43 1jfh s ASP 167 N 5.14 6.72 0.30 -1.43 2.15 -1.26 -1.63 116.67 126.65 1jfh s ASP 167 Ca 0.94 0.76 -0.29 0.00 0.43 0.00 0.00 52.55 54.39 1jfh s ASP 167 Cb -0.57 -2.43 -0.10 0.00 -0.30 0.00 0.00 42.92 39.52 1jfh s ASP 167 CO 0.46 -0.65 1.25 -0.76 -0.17 0.00 0.00 175.17 175.30 1jfh s LEU 168 N 3.06 4.46 -1.31 -1.34 1.43 -0.70 -0.51 118.68 123.77 1jfh s LEU 168 Ca 0.35 2.54 -0.16 0.00 -1.03 0.00 0.00 54.13 55.82 1jfh s LEU 168 Cb -0.14 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.53 1jfh s LEU 168 CO 0.12 -0.43 1.78 0.00 0.23 0.00 0.00 176.35 178.05 1jfh n ALA 169 N 1.17 3.99 0.36 4.21 0.00 0.02 -4.63 120.51 125.64 1jfh n ALA 169 Ca 0.01 -3.94 0.03 0.00 0.00 0.00 0.00 53.44 49.54 1jfh n ALA 169 Cb 0.43 -3.48 0.18 0.00 0.00 0.00 0.00 19.45 16.57 1jfh n ALA 169 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jfh n LEU 170 N 7.41 0.00 0.18 0.00 4.32 -1.26 -1.90 117.00 125.75 1jfh n LEU 170 Ca 0.47 0.11 0.11 0.00 -0.02 0.00 0.00 56.01 56.68 1jfh n LEU 170 Cb 0.44 -0.11 0.11 0.00 -1.62 0.00 0.00 43.42 42.24 1jfh n LEU 170 CO 0.77 -0.08 0.53 1.05 -1.22 0.00 0.00 177.39 178.43 1jfh h GLU 171 N 0.00 0.00 -6.61 3.23 9.09 -1.95 -3.43 114.58 114.92 1jfh h GLU 171 Ca 0.00 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.90 1jfh h GLU 171 Cb 0.02 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.10 1jfh h GLU 171 CO 0.00 0.02 0.38 0.15 0.05 0.00 0.00 179.01 179.60 1jfh s LYS 172 N -3.25 4.71 0.40 1.06 1.02 -0.80 -4.96 119.74 117.92 1jfh s LYS 172 Ca 0.04 1.50 0.09 0.00 0.02 0.00 0.00 55.97 57.62 1jfh s LYS 172 Cb 0.07 -3.35 0.81 0.00 -0.52 0.00 0.00 37.83 34.84 1jfh s LYS 172 CO 0.71 0.23 1.94 0.22 -0.92 0.00 0.00 175.35 177.54 1jfh h ASP 173 N 5.31 0.25 -0.13 2.83 3.58 -1.89 -0.60 116.42 125.78 1jfh h ASP 173 Ca -0.43 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.00 1jfh h ASP 173 Cb 1.21 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.17 1jfh h ASP 173 CO 0.71 0.36 -0.05 0.22 -2.88 0.00 0.00 179.24 177.60 1jfh h TYR 174 N 0.26 -0.12 -0.18 0.28 5.03 -1.94 0.16 116.97 120.46 1jfh h TYR 174 Ca 0.06 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.33 1jfh h TYR 174 Cb 0.30 0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.65 1jfh h TYR 174 CO 0.01 -0.09 -0.08 0.28 -1.32 0.00 0.00 178.16 176.96 1jfh h VAL 175 N -0.04 1.31 -0.56 1.81 2.07 -1.72 -1.85 116.25 117.27 1jfh h VAL 175 Ca 0.07 -1.12 0.06 0.00 0.82 0.00 0.00 66.70 66.53 1jfh h VAL 175 Cb 0.14 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1jfh h VAL 175 CO -0.15 0.33 0.26 0.03 0.02 0.00 0.00 177.57 178.07 1jfh h ARG 176 N 0.05 0.48 -0.45 1.57 3.08 -0.94 -1.65 114.38 116.53 1jfh h ARG 176 Ca 0.04 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1jfh h ARG 176 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1jfh h ARG 176 CO 0.02 0.32 -0.26 0.77 -1.07 0.00 0.00 179.97 179.76 1jfh h SER 177 N 0.50 0.99 -0.79 7.04 0.02 -0.68 -0.97 113.55 119.66 1jfh h SER 177 Ca 0.26 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1jfh h SER 177 Cb 0.21 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1jfh h SER 177 CO -0.20 1.18 0.43 -0.03 -1.14 0.00 0.00 176.83 177.07 1jfh h MET 178 N 0.82 1.09 -0.24 3.45 -1.53 -0.94 -0.53 114.93 117.04 1jfh h MET 178 Ca 0.10 -0.13 -0.12 0.00 -3.44 0.00 0.00 59.70 56.11 1jfh h MET 178 Cb 0.83 -0.21 -0.00 0.00 -0.55 0.00 0.00 31.60 31.67 1jfh h MET 178 CO 0.07 0.81 -0.33 0.82 0.14 0.00 0.00 176.91 178.43 1jfh h ILE 179 N 1.09 1.31 -0.63 1.77 2.04 -1.21 -2.93 117.51 118.95 1jfh h ILE 179 Ca 0.28 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 1jfh h ILE 179 Cb 0.03 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1jfh h ILE 179 CO -0.04 0.48 0.27 0.00 0.00 0.00 0.00 178.15 178.85 1jfh h ALA 180 N 0.66 1.29 -0.27 1.87 0.00 -0.92 -1.20 119.26 120.68 1jfh h ALA 180 Ca 0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1jfh h ALA 180 Cb 0.91 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1jfh h ALA 180 CO 0.08 0.54 -0.21 -0.44 0.00 0.00 0.00 179.25 179.22 1jfh h ASP 181 N 0.90 0.49 -0.24 0.00 3.32 -1.09 0.12 116.42 119.92 1jfh h ASP 181 Ca 0.22 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1jfh h ASP 181 Cb 0.15 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1jfh h ASP 181 CO -0.02 0.71 -0.12 0.22 -1.72 0.00 0.00 179.24 178.31 1jfh h TYR 182 N 0.45 0.58 -0.42 4.55 3.20 -1.21 -2.21 116.97 121.90 1jfh h TYR 182 Ca 0.07 -0.15 -0.10 0.00 3.14 0.00 0.00 58.73 61.69 1jfh h TYR 182 Cb 0.61 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1jfh h TYR 182 CO 0.02 0.77 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.10 1jfh h LEU 183 N 0.22 0.79 -1.10 2.82 3.38 -0.99 -2.82 115.31 117.61 1jfh h LEU 183 Ca 0.05 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1jfh h LEU 183 Cb 0.62 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1jfh h LEU 183 CO 0.04 0.94 -0.30 0.78 0.09 0.00 0.00 178.44 179.99 1jfh h ASN 184 N 0.70 0.26 -0.66 -0.43 2.35 -0.73 -1.12 115.58 115.96 1jfh h ASN 184 Ca 0.11 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1jfh h ASN 184 Cb 0.64 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1jfh h ASN 184 CO 0.05 0.56 0.26 0.50 -1.65 0.00 0.00 177.43 177.14 1jfh h LYS 185 N 0.23 0.99 -0.44 0.81 3.64 -1.15 -0.78 116.57 119.86 1jfh h LYS 185 Ca 0.03 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 1jfh h LYS 185 Cb 0.65 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1jfh h LYS 185 CO 0.05 0.83 0.08 -0.07 -2.27 0.00 0.00 179.45 178.07 1jfh h LEU 186 N 0.93 0.69 -0.70 5.20 4.07 -1.22 -2.13 115.31 122.14 1jfh h LEU 186 Ca 0.22 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1jfh h LEU 186 Cb 0.21 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 1jfh h LEU 186 CO -0.02 0.76 0.36 0.40 -1.08 0.00 0.00 178.44 178.87 1jfh h ILE 187 N 0.58 1.23 -0.03 1.22 2.04 -0.96 -2.28 117.51 119.31 1jfh h ILE 187 Ca 0.14 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 1jfh h ILE 187 Cb 0.36 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1jfh h ILE 187 CO 0.01 0.26 -0.27 0.44 0.00 0.00 0.00 178.15 178.58 1jfh h ASP 188 N 0.97 0.05 0.36 1.72 3.32 -0.99 -1.64 116.42 120.22 1jfh h ASP 188 Ca 0.24 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 1jfh h ASP 188 Cb 0.08 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1jfh h ASP 188 CO -0.03 0.33 -0.46 0.40 -1.72 0.00 0.00 179.24 177.76 1jfh h ILE 189 N 0.05 1.33 0.00 0.35 2.04 -0.87 -3.47 117.51 116.95 1jfh h ILE 189 Ca 0.01 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.26 1jfh h ILE 189 Cb 0.51 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1jfh h ILE 189 CO 0.04 0.47 0.00 0.61 0.00 0.00 0.00 178.15 179.27 1jfh n GLY 190 N -0.14 -0.31 3.77 5.37 0.00 -0.62 -4.73 105.19 108.53 1jfh n GLY 190 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1jfh n GLY 190 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jfh s VAL 191 N -0.64 2.46 -0.21 1.61 1.01 -0.91 -4.77 120.40 118.96 1jfh s VAL 191 Ca 0.00 0.46 0.21 0.00 0.00 0.00 0.00 61.98 62.65 1jfh s VAL 191 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1jfh s VAL 191 CO 0.00 0.11 1.00 0.00 0.00 0.00 0.00 175.10 176.21 1jfh n ALA 192 N 0.61 2.41 -3.36 5.51 0.00 -0.24 -4.59 120.51 120.85 1jfh n ALA 192 Ca 0.01 -0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.22 1jfh n ALA 192 Cb 0.41 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1jfh n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jfh n GLY 193 N 1.22 0.52 3.03 0.00 0.00 -1.23 -1.29 105.19 107.44 1jfh n GLY 193 Ca -0.02 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1jfh n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jfh s PHE 194 N -2.83 0.13 -0.32 1.61 0.08 0.14 -1.66 117.98 115.13 1jfh s PHE 194 Ca 0.11 -0.28 -0.12 0.00 0.12 0.00 0.00 56.93 56.76 1jfh s PHE 194 Cb -0.00 -0.11 -0.03 0.00 -0.57 0.00 0.00 43.02 42.31 1jfh s PHE 194 CO -0.00 -0.21 0.22 0.50 -0.10 0.00 0.00 175.22 175.63 1jfh s ARG 195 N -1.24 3.65 -0.56 0.44 3.52 0.12 -1.64 118.95 123.25 1jfh s ARG 195 Ca -0.13 -0.53 -0.23 0.00 -0.13 0.00 0.00 55.73 54.71 1jfh s ARG 195 Cb -0.08 -3.75 0.05 0.00 -1.56 0.00 0.00 34.95 29.61 1jfh s ARG 195 CO 0.00 -0.35 0.87 0.42 -0.81 0.00 0.00 175.30 175.43 1jfh s ILE 196 N 1.73 4.49 0.42 4.11 -1.09 -0.20 -0.58 121.20 130.09 1jfh s ILE 196 Ca 0.06 -0.03 -0.26 0.00 -2.23 0.00 0.00 60.65 58.20 1jfh s ILE 196 Cb -0.17 -4.51 -0.09 0.00 -1.58 0.00 0.00 42.46 36.11 1jfh s ILE 196 CO 0.11 -1.11 1.37 -0.62 -1.23 0.00 0.00 174.94 173.46 1jfh s ASP 197 N 2.97 6.11 -1.60 3.58 2.15 -0.53 -1.38 116.67 127.97 1jfh s ASP 197 Ca 0.25 2.81 -0.11 0.00 0.43 0.00 0.00 52.55 55.93 1jfh s ASP 197 Cb -0.15 -2.65 0.09 0.00 -0.30 0.00 0.00 42.92 39.92 1jfh s ASP 197 CO 0.16 -1.00 0.58 0.00 -0.17 0.00 0.00 175.17 174.73 1jfh n ALA 198 N 0.01 -1.58 0.27 3.66 0.00 -1.26 -4.59 120.51 117.01 1jfh n ALA 198 Ca 0.04 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.44 1jfh n ALA 198 Cb 0.42 -2.52 0.71 0.00 0.00 0.00 0.00 19.45 18.07 1jfh n ALA 198 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jfh h SER 199 N -1.62 0.00 0.15 0.00 0.02 -1.35 -1.17 113.55 109.58 1jfh h SER 199 Ca -0.61 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.31 1jfh h SER 199 Cb 1.38 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 1jfh h SER 199 CO 0.73 0.05 -0.11 0.50 -1.14 0.00 0.00 176.83 176.85 1jfh h LYS 200 N 0.00 0.00 -0.63 3.45 3.64 -1.87 -2.35 116.57 118.81 1jfh h LYS 200 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jfh h LYS 200 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1jfh h LYS 200 CO 0.01 0.11 0.00 0.72 -2.27 0.00 0.00 179.45 178.02 1jfh n HIS 201 N -4.22 0.95 -4.10 1.91 8.25 -0.44 -4.63 115.22 112.93 1jfh n HIS 201 Ca -0.03 -0.36 -0.14 0.00 -0.26 0.00 0.00 57.72 56.93 1jfh n HIS 201 Cb 0.19 -0.21 -0.11 0.00 1.12 0.00 0.00 29.99 30.98 1jfh n HIS 201 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1jfh s MET 202 N -1.78 0.64 0.15 -0.41 -1.94 -0.89 -4.34 119.30 110.74 1jfh s MET 202 Ca 0.30 -0.88 -0.30 0.00 -1.71 0.00 0.00 55.69 53.09 1jfh s MET 202 Cb 0.20 -0.42 -0.07 0.00 2.01 0.00 0.00 34.83 36.55 1jfh s MET 202 CO 0.13 0.07 1.13 -1.58 -0.01 0.00 0.00 175.02 174.77 1jfh s TRP 203 N -1.64 3.53 0.37 -0.03 0.52 -1.26 -4.93 118.94 115.50 1jfh s TRP 203 Ca -0.05 1.51 0.14 0.00 0.02 0.00 0.00 56.10 57.72 1jfh s TRP 203 Cb -0.08 -3.33 0.98 0.00 -1.15 0.00 0.00 33.47 29.89 1jfh s TRP 203 CO 0.00 -0.82 1.79 -1.35 0.02 0.00 0.00 176.95 176.59 1jfh h PRO 204 N 5.51 0.50 -0.28 4.98 0.11 -1.88 -0.75 132.00 140.19 1jfh h PRO 204 Ca -0.44 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 1jfh h PRO 204 Cb 1.21 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1jfh h PRO 204 CO 0.75 0.33 -0.27 0.78 -0.21 0.00 0.00 178.00 179.38 1jfh h GLY 205 N 0.52 0.59 1.12 -0.55 0.00 -1.92 -1.88 103.07 100.95 1jfh h GLY 205 Ca 0.57 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 47.24 1jfh h GLY 205 CO -0.31 0.46 -0.36 -0.55 0.00 0.00 0.00 176.54 175.78 1jfh h ASP 206 N 0.48 0.99 -0.33 0.19 3.32 -1.46 -2.16 116.42 117.44 1jfh h ASP 206 Ca 0.07 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 1jfh h ASP 206 Cb 0.72 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1jfh h ASP 206 CO 0.06 1.25 0.12 0.40 -1.72 0.00 0.00 179.24 179.35 1jfh h ILE 207 N 0.75 1.19 -0.95 0.35 2.04 -1.37 -2.64 117.51 116.89 1jfh h ILE 207 Ca 0.06 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.39 1jfh h ILE 207 Cb 0.96 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 1jfh h ILE 207 CO 0.09 0.21 0.61 0.50 0.00 0.00 0.00 178.15 179.56 1jfh h LYS 208 N 0.39 1.06 -0.53 2.37 1.63 -1.27 -0.99 116.57 119.23 1jfh h LYS 208 Ca 0.11 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 1jfh h LYS 208 Cb 0.21 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 1jfh h LYS 208 CO -0.01 0.70 0.15 0.00 -3.45 0.00 0.00 179.45 176.84 1jfh h ALA 209 N 1.49 1.26 -0.19 5.00 0.00 -1.05 -0.91 119.26 124.86 1jfh h ALA 209 Ca 0.41 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1jfh h ALA 209 Cb 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jfh h ALA 209 CO -0.15 0.52 -0.25 0.28 0.00 0.00 0.00 179.25 179.65 1jfh h VAL 210 N 0.78 1.34 -0.09 0.00 2.07 -0.99 -3.22 116.25 116.15 1jfh h VAL 210 Ca 0.18 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 1jfh h VAL 210 Cb 0.26 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1jfh h VAL 210 CO -0.01 0.44 -0.10 -0.07 0.02 0.00 0.00 177.57 177.85 1jfh h LEU 211 N 0.15 0.12 -0.72 2.57 4.07 -0.88 -1.60 115.31 119.03 1jfh h LEU 211 Ca 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jfh h LEU 211 Cb 0.81 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.52 1jfh h LEU 211 CO 0.06 0.25 0.00 0.44 -1.08 0.00 0.00 178.44 178.10 1jfh h ASP 212 N 0.13 0.00 0.33 -0.43 3.32 -1.18 -2.68 116.42 115.91 1jfh h ASP 212 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1jfh h ASP 212 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1jfh h ASP 212 CO 0.02 0.00 -0.48 0.29 -1.72 0.00 0.00 179.24 177.35 1jfh n LYS 213 N -2.35 0.33 -2.56 3.56 5.02 -0.60 -4.96 118.16 116.61 1jfh n LYS 213 Ca 0.02 -0.21 -0.39 0.00 -2.02 0.00 0.00 58.31 55.71 1jfh n LYS 213 Cb 0.26 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 1jfh n LYS 213 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jfh s LEU 214 N -2.81 4.40 0.84 -0.35 1.43 -1.01 -4.99 118.68 116.19 1jfh s LEU 214 Ca 0.15 2.11 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 1jfh s LEU 214 Cb 0.18 -3.86 0.10 0.00 0.03 0.00 0.00 46.19 42.64 1jfh s LEU 214 CO 0.65 -0.23 1.15 -1.00 0.23 0.00 0.00 176.35 177.15 1jfh s HIS 215 N -1.38 2.79 0.72 0.29 3.76 -1.26 -5.05 115.29 115.16 1jfh s HIS 215 Ca 0.49 0.86 -0.11 0.00 -0.15 0.00 0.00 55.06 56.15 1jfh s HIS 215 Cb -0.27 -3.37 0.02 0.00 1.11 0.00 0.00 32.58 30.07 1jfh s HIS 215 CO 0.34 -1.97 1.07 -0.80 -0.85 0.00 0.00 174.74 172.53 1jfh s ASN 216 N -4.26 5.19 0.83 1.40 0.01 -1.26 -4.65 114.94 112.20 1jfh s ASN 216 Ca 0.62 1.44 -0.11 0.00 -0.71 0.00 0.00 52.86 54.11 1jfh s ASN 216 Cb -0.13 -2.28 0.09 0.00 0.41 0.00 0.00 41.25 39.34 1jfh s ASN 216 CO 0.52 -1.54 1.10 -0.76 -1.51 0.00 0.00 177.10 174.90 1jfh s LEU 217 N -5.56 2.82 0.07 0.60 1.43 0.08 -4.90 118.68 113.22 1jfh s LEU 217 Ca 0.59 1.85 -0.30 0.00 -1.03 0.00 0.00 54.13 55.23 1jfh s LEU 217 Cb -0.13 -4.41 -0.09 0.00 0.03 0.00 0.00 46.19 41.58 1jfh s LEU 217 CO 0.54 -2.42 1.90 0.21 0.23 0.00 0.00 176.35 176.81 1jfh s ASN 218 N -3.22 6.45 0.00 2.29 3.84 -1.26 -4.83 114.94 118.22 1jfh s ASN 218 Ca 0.63 2.69 0.10 0.00 0.21 0.00 0.00 52.86 56.49 1jfh s ASN 218 Cb -0.19 -2.55 0.46 0.00 -0.55 0.00 0.00 41.25 38.43 1jfh s ASN 218 CO 0.57 -1.03 1.31 0.35 -2.79 0.00 0.00 177.10 175.51 1jfh n THR 219 N 5.21 1.18 0.32 -5.21 -2.24 -1.26 -1.23 114.28 111.05 1jfh n THR 219 Ca 0.19 0.30 0.14 0.00 -2.27 0.00 0.00 64.05 62.41 1jfh n THR 219 Cb 0.40 -1.12 0.44 0.00 -2.10 0.00 0.00 70.33 67.95 1jfh n THR 219 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1jfh h ASN 220 N 0.00 0.00 0.00 3.42 2.35 -1.98 -3.36 115.58 116.00 1jfh h ASN 220 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jfh h ASN 220 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1jfh h ASN 220 CO 0.00 0.00 -0.36 0.79 -1.65 0.00 0.00 177.43 176.21 1jfh n TRP 221 N -2.86 0.00 -4.37 1.19 8.01 -1.02 -5.10 117.44 113.29 1jfh n TRP 221 Ca 0.03 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.93 1jfh n TRP 221 Cb 0.39 0.00 -0.12 0.00 -2.01 0.00 0.00 31.31 29.57 1jfh n TRP 221 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 1jfh s PHE 222 N -0.74 2.38 0.78 -5.99 0.08 -0.37 -5.09 117.98 109.04 1jfh s PHE 222 Ca 0.00 -0.34 -0.13 0.00 0.12 0.00 0.00 56.93 56.58 1jfh s PHE 222 Cb 0.00 -1.26 0.07 0.00 -0.57 0.00 0.00 43.02 41.26 1jfh s PHE 222 CO 0.00 0.38 1.17 -2.14 -0.10 0.00 0.00 175.22 174.53 1jfh s PRO 223 N -2.18 1.86 0.54 0.24 0.02 -1.26 -4.23 135.00 129.99 1jfh s PRO 223 Ca 0.16 1.61 -0.22 0.00 0.02 0.00 0.00 61.00 62.57 1jfh s PRO 223 Cb -0.10 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 1jfh s PRO 223 CO 0.08 -2.01 1.32 0.00 -0.33 0.00 0.00 177.00 176.06 1jfh s ALA 224 N -2.31 2.81 -0.67 -1.55 0.00 -1.26 -2.92 121.76 115.86 1jfh s ALA 224 Ca 0.70 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1jfh s ALA 224 Cb -0.25 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1jfh s ALA 224 CO 0.50 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1jfh n GLY 225 N 0.68 0.85 3.71 0.00 0.00 -1.26 -4.99 105.19 104.17 1jfh n GLY 225 Ca 0.10 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1jfh n GLY 225 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jfh s SER 226 N -2.70 7.31 0.03 1.61 0.01 -1.15 -4.97 113.70 113.85 1jfh s SER 226 Ca 0.00 1.68 -0.08 0.00 1.31 0.00 0.00 55.95 58.85 1jfh s SER 226 Cb 0.00 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 1jfh s SER 226 CO 0.00 -0.32 0.33 -0.13 0.41 0.00 0.00 173.24 173.53 1jfh s ARG 227 N 1.23 3.67 0.44 12.44 1.81 -1.26 -0.74 118.95 136.54 1jfh s ARG 227 Ca 0.52 0.06 -0.25 0.00 -1.72 0.00 0.00 55.73 54.34 1jfh s ARG 227 Cb -0.21 -3.06 -0.08 0.00 -0.45 0.00 0.00 34.95 31.15 1jfh s ARG 227 CO 0.26 0.62 1.33 -1.25 -0.68 0.00 0.00 175.30 175.58 1jfh s PRO 228 N -1.77 3.76 0.17 3.54 0.04 -1.26 -4.89 135.00 134.60 1jfh s PRO 228 Ca 0.29 2.21 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 1jfh s PRO 228 Cb -0.14 -2.64 -0.08 0.00 0.04 0.00 0.00 34.50 31.69 1jfh s PRO 228 CO 0.16 -0.68 1.24 0.12 0.04 0.00 0.00 177.00 177.89 1jfh s PHE 229 N -1.27 3.36 -0.10 0.56 5.36 -0.41 -4.75 117.98 120.73 1jfh s PHE 229 Ca 0.60 1.32 0.01 0.00 -0.96 0.00 0.00 56.93 57.91 1jfh s PHE 229 Cb -0.39 -3.50 0.02 0.00 -0.34 0.00 0.00 43.02 38.81 1jfh s PHE 229 CO 0.50 -1.49 -0.13 0.42 -1.46 0.00 0.00 175.22 173.06 1jfh s ILE 230 N 0.19 1.31 -0.11 3.12 -1.09 -1.26 -0.69 121.20 122.66 1jfh s ILE 230 Ca 0.55 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 58.44 1jfh s ILE 230 Cb -0.34 -1.22 0.03 0.00 -1.58 0.00 0.00 42.46 39.35 1jfh s ILE 230 CO 0.36 0.40 -0.02 0.72 -1.23 0.00 0.00 174.94 175.17 1jfh s PHE 231 N 1.13 1.07 -0.09 3.97 -0.71 -0.65 -0.42 117.98 122.27 1jfh s PHE 231 Ca -0.05 -0.54 -0.17 0.00 -1.04 0.00 0.00 56.93 55.13 1jfh s PHE 231 Cb -0.14 -1.01 -0.05 0.00 -1.21 0.00 0.00 43.02 40.61 1jfh s PHE 231 CO -0.03 -0.46 0.45 -0.65 -1.34 0.00 0.00 175.22 173.19 1jfh s GLN 232 N 1.84 4.24 -0.66 1.99 -0.21 -0.01 -1.04 119.66 125.82 1jfh s GLN 232 Ca 0.03 0.42 -0.26 0.00 0.02 0.00 0.00 55.36 55.58 1jfh s GLN 232 Cb -0.14 -3.38 0.04 0.00 1.00 0.00 0.00 33.01 30.53 1jfh s GLN 232 CO -0.07 0.29 1.13 -2.00 -2.12 0.00 0.00 175.29 172.53 1jfh s GLU 233 N 0.19 3.26 -0.22 2.91 2.12 -0.48 -1.69 118.70 124.78 1jfh s GLU 233 Ca 0.25 -0.29 -0.00 0.00 0.36 0.00 0.00 54.97 55.29 1jfh s GLU 233 Cb -0.15 -4.14 0.06 0.00 0.26 0.00 0.00 34.13 30.16 1jfh s GLU 233 CO 0.11 -1.87 -0.04 0.08 -0.54 0.00 0.00 175.26 173.00 1jfh s VAL 234 N 4.90 1.30 -0.56 3.70 1.01 -1.26 -1.60 120.40 127.90 1jfh s VAL 234 Ca 0.33 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 1jfh s VAL 234 Cb -0.11 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1jfh s VAL 234 CO 0.17 -0.11 1.11 -0.63 0.00 0.00 0.00 175.10 175.64 1jfh s ILE 235 N 1.50 4.14 -0.32 2.22 1.01 -1.26 -4.64 121.20 123.85 1jfh s ILE 235 Ca -0.05 0.75 -0.02 0.00 0.00 0.00 0.00 60.65 61.34 1jfh s ILE 235 Cb -0.18 -4.66 0.11 0.00 0.01 0.00 0.00 42.46 37.74 1jfh s ILE 235 CO -0.07 -1.24 0.15 -0.62 0.00 0.00 0.00 174.94 173.16 1jfh s ASP 236 N 2.87 3.59 0.00 3.58 2.15 -1.26 -4.93 116.67 122.67 1jfh s ASP 236 Ca 0.40 -1.70 0.22 0.00 0.43 0.00 0.00 52.55 51.90 1jfh s ASP 236 Cb -0.09 -0.58 0.54 0.00 -0.30 0.00 0.00 42.92 42.49 1jfh s ASP 236 CO 0.24 -0.39 1.47 0.18 -0.17 0.00 0.00 175.17 176.50 1jfh n LEU 237 N 4.72 3.72 0.00 -1.34 7.99 -1.26 -4.55 117.00 126.28 1jfh n LEU 237 Ca 0.00 -1.79 0.00 0.00 -0.01 0.00 0.00 56.01 54.21 1jfh n LEU 237 Cb 0.40 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 1jfh n LEU 237 CO 0.10 0.88 0.00 0.61 -1.51 0.00 0.00 177.39 177.47 1jfh n GLY 238 N 1.55 -0.01 2.61 -0.72 0.00 -1.26 -5.00 105.19 102.36 1jfh n GLY 238 Ca 0.22 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1jfh n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfh n GLY 239 N 0.13 0.87 3.60 -0.02 0.00 -1.26 -5.02 105.19 103.49 1jfh n GLY 239 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1jfh n GLY 239 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jfh s GLU 240 N -0.06 1.93 0.22 1.61 2.02 -1.26 -4.98 118.70 118.18 1jfh s GLU 240 Ca 0.00 -2.10 -0.02 0.00 0.02 0.00 0.00 54.97 52.87 1jfh s GLU 240 Cb 0.00 -1.52 0.22 0.00 0.10 0.00 0.00 34.13 32.93 1jfh s GLU 240 CO 0.00 -0.09 1.60 0.00 0.02 0.00 0.00 175.26 176.80 1jfh h ALA 241 N 1.80 0.87 -2.77 5.21 0.00 -1.80 -3.44 119.26 119.12 1jfh h ALA 241 Ca -0.43 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 53.48 1jfh h ALA 241 Cb 1.24 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1jfh h ALA 241 CO 0.79 0.63 -0.04 0.42 0.00 0.00 0.00 179.25 181.05 1jfh s ILE 242 N -4.34 4.97 0.13 0.00 1.01 -1.26 -4.98 121.20 116.74 1jfh s ILE 242 Ca -0.08 1.17 0.11 0.00 0.00 0.00 0.00 60.65 61.85 1jfh s ILE 242 Cb 0.13 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1jfh s ILE 242 CO 0.83 0.41 -0.26 -0.54 0.00 0.00 0.00 174.94 175.37 1jfh s LYS 243 N -0.07 1.42 0.40 2.79 1.02 -1.26 -4.92 119.74 119.13 1jfh s LYS 243 Ca 0.30 -1.35 0.10 0.00 0.02 0.00 0.00 55.97 55.04 1jfh s LYS 243 Cb -0.18 -1.91 0.90 0.00 -0.52 0.00 0.00 37.83 36.12 1jfh s LYS 243 CO 0.16 0.45 1.98 0.77 -0.92 0.00 0.00 175.35 177.79 1jfh h SER 244 N 3.85 0.50 -0.04 2.83 0.02 -1.92 -2.39 113.55 116.40 1jfh h SER 244 Ca -0.51 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1jfh h SER 244 Cb 1.17 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 1jfh h SER 244 CO 0.40 0.31 0.05 0.77 -1.14 0.00 0.00 176.83 177.22 1jfh h SER 245 N 0.56 0.00 0.38 3.07 4.64 -2.01 -1.87 113.55 118.32 1jfh h SER 245 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1jfh h SER 245 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1jfh h SER 245 CO -0.09 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.54 1jfh h GLU 246 N 0.00 0.00 -0.02 4.77 5.08 -1.86 -2.63 114.58 119.92 1jfh h GLU 246 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1jfh h GLU 246 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1jfh h GLU 246 CO -0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 1jfh n TYR 247 N -2.88 0.00 0.12 4.33 4.02 -0.70 -4.59 117.16 117.46 1jfh n TYR 247 Ca -0.01 -0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.04 1jfh n TYR 247 Cb 0.15 -0.00 0.71 0.00 -0.02 0.00 0.00 39.34 40.18 1jfh n TYR 247 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1jfh h PHE 248 N 3.27 0.00 0.00 -0.72 0.04 -1.53 -2.10 116.94 115.90 1jfh h PHE 248 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jfh h PHE 248 Cb 0.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1jfh h PHE 248 CO 0.00 0.00 0.00 0.78 -0.60 0.00 0.00 178.31 178.49 1jfh h GLY 249 N 0.00 0.00 0.83 -1.45 0.00 -1.81 -3.22 103.07 97.42 1jfh h GLY 249 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.28 1jfh h GLY 249 CO -0.00 0.00 -1.59 0.70 0.00 0.00 0.00 176.54 175.65 1jfh n ASN 250 N -2.89 0.73 0.00 0.19 3.02 -0.79 -5.08 115.26 110.44 1jfh n ASN 250 Ca 0.01 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 1jfh n ASN 250 Cb 0.31 0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1jfh n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jfh n GLY 251 N 1.45 -0.23 3.77 7.41 0.00 -1.22 -4.85 105.19 111.52 1jfh n GLY 251 Ca -0.13 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 1jfh n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jfh s ARG 252 N -2.00 2.03 0.04 1.61 0.52 0.44 -4.48 118.95 117.11 1jfh s ARG 252 Ca 0.00 0.87 0.03 0.00 -0.52 0.00 0.00 55.73 56.11 1jfh s ARG 252 Cb 0.00 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.56 1jfh s ARG 252 CO 0.00 -1.72 -0.10 0.08 0.02 0.00 0.00 175.30 173.58 1jfh s VAL 253 N -3.02 0.77 0.03 3.52 1.01 0.50 -0.83 120.40 122.38 1jfh s VAL 253 Ca 0.61 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1jfh s VAL 253 Cb -0.16 -0.75 -0.06 0.00 0.00 0.00 0.00 36.38 35.41 1jfh s VAL 253 CO 0.56 -0.17 1.33 0.42 0.00 0.00 0.00 175.10 177.23 1jfh s THR 254 N -1.01 3.77 -0.83 3.92 -4.23 -0.68 -1.74 115.64 114.84 1jfh s THR 254 Ca -0.04 1.21 -0.15 0.00 -1.18 0.00 0.00 61.69 61.54 1jfh s THR 254 Cb -0.08 -3.78 0.21 0.00 1.34 0.00 0.00 72.50 70.19 1jfh s THR 254 CO 0.01 0.04 0.79 -0.70 -0.54 0.00 0.00 174.62 174.22 1jfh s GLU 255 N 1.81 3.58 0.38 3.99 2.56 -0.91 -4.58 118.70 125.54 1jfh s GLU 255 Ca 0.62 -2.36 0.28 0.00 0.00 0.00 0.00 54.97 53.50 1jfh s GLU 255 Cb -0.31 -4.47 1.11 0.00 2.00 0.00 0.00 34.13 32.46 1jfh s GLU 255 CO 0.27 -1.34 1.82 0.74 -0.56 0.00 0.00 175.26 176.20 1jfh h PHE 256 N 7.93 0.00 0.00 5.30 -1.00 -1.85 -2.82 116.94 124.50 1jfh h PHE 256 Ca 0.10 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 1jfh h PHE 256 Cb 1.04 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 1jfh h PHE 256 CO 1.04 0.00 -0.43 0.87 -1.61 0.00 0.00 178.31 178.18 1jfh h LYS 257 N 0.00 0.00 0.41 1.51 1.57 -1.90 -3.12 116.57 115.04 1jfh h LYS 257 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1jfh h LYS 257 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1jfh h LYS 257 CO 0.00 0.43 -0.50 -0.92 -0.57 0.00 0.00 179.45 177.89 1jfh h TYR 258 N 0.00 -1.39 -0.21 -1.35 5.03 -1.84 -0.88 116.97 116.33 1jfh h TYR 258 Ca -0.00 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.23 1jfh h TYR 258 Cb 0.78 0.55 -0.01 0.00 1.55 0.00 0.00 36.73 39.60 1jfh h TYR 258 CO 0.00 -0.64 -0.26 0.78 -1.32 0.00 0.00 178.16 176.72 1jfh h GLY 259 N -0.93 0.43 0.93 1.82 0.00 -1.63 -0.91 103.07 102.78 1jfh h GLY 259 Ca -0.05 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1jfh h GLY 259 CO -0.11 0.31 0.01 0.00 0.00 0.00 0.00 176.54 176.76 1jfh h ALA 260 N 1.38 0.51 0.09 3.60 0.00 -1.46 -1.49 119.26 121.88 1jfh h ALA 260 Ca 0.05 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 1jfh h ALA 260 Cb 0.65 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jfh h ALA 260 CO 0.05 0.27 -1.15 0.87 0.00 0.00 0.00 179.25 179.29 1jfh h LYS 261 N 0.49 0.43 -0.51 0.00 1.57 -1.09 -2.89 116.57 114.57 1jfh h LYS 261 Ca 0.11 -0.58 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 1jfh h LYS 261 Cb 0.45 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1jfh h LYS 261 CO 0.02 1.24 0.15 1.25 -0.57 0.00 0.00 179.45 181.53 1jfh h LEU 262 N 0.19 0.75 -0.55 2.94 6.46 -1.19 -1.75 115.31 122.17 1jfh h LEU 262 Ca -0.14 -0.21 0.02 0.00 -0.12 0.00 0.00 57.88 57.43 1jfh h LEU 262 Cb 1.82 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 41.52 1jfh h LEU 262 CO 0.20 0.77 0.34 1.23 -0.62 0.00 0.00 178.44 180.37 1jfh h GLY 263 N 0.70 0.78 1.02 3.75 0.00 -1.32 -1.00 103.07 107.00 1jfh h GLY 263 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1jfh h GLY 263 CO -0.00 0.24 0.40 -0.84 0.00 0.00 0.00 176.54 176.33 1jfh h THR 264 N 0.69 1.24 -0.04 4.70 2.02 -1.27 -1.41 112.91 118.84 1jfh h THR 264 Ca 0.21 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1jfh h THR 264 Cb -0.02 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1jfh h THR 264 CO -0.08 0.27 0.00 0.58 0.37 0.00 0.00 175.52 176.67 1jfh h VAL 265 N 1.07 1.24 -0.39 3.16 2.07 -0.97 -1.82 116.25 120.62 1jfh h VAL 265 Ca 0.27 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 1jfh h VAL 265 Cb 0.07 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1jfh h VAL 265 CO -0.04 0.20 -0.04 0.58 0.02 0.00 0.00 177.57 178.29 1jfh h VAL 266 N -0.22 1.23 0.00 2.57 2.07 -1.10 -1.72 116.25 119.07 1jfh h VAL 266 Ca 0.01 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1jfh h VAL 266 Cb 0.31 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1jfh h VAL 266 CO 0.00 0.33 0.00 0.54 0.02 0.00 0.00 177.57 178.46 1jfh n ARG 267 N -4.22 0.09 -3.42 1.57 1.74 -0.54 -4.90 116.66 106.97 1jfh n ARG 267 Ca 0.02 0.20 -0.20 0.00 -0.77 0.00 0.00 57.85 57.09 1jfh n ARG 267 Cb 0.30 -1.64 0.07 0.00 -1.02 0.00 0.00 32.46 30.17 1jfh n ARG 267 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1jfh n LYS 268 N -1.81 -6.76 -3.38 5.56 5.02 -0.65 -5.02 118.16 111.12 1jfh n LYS 268 Ca 0.05 0.72 -0.23 0.00 -2.02 0.00 0.00 58.31 56.82 1jfh n LYS 268 Cb 0.29 -5.41 -0.01 0.00 -0.02 0.00 0.00 35.03 29.88 1jfh n LYS 268 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1jfh s TRP 269 N -3.28 3.45 -1.30 2.13 0.51 -0.73 -4.54 118.94 115.18 1jfh s TRP 269 Ca 0.45 0.29 -0.10 0.00 -2.12 0.00 0.00 56.10 54.62 1jfh s TRP 269 Cb -0.20 -1.92 0.08 0.00 -0.81 0.00 0.00 33.47 30.62 1jfh s TRP 269 CO 0.63 0.08 0.50 0.43 -0.51 0.00 0.00 176.95 178.08 1jfh n SER 270 N -1.79 -3.58 0.00 2.95 7.64 -1.26 -1.55 113.62 116.02 1jfh n SER 270 Ca -0.04 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1jfh n SER 270 Cb 0.56 -2.97 0.00 0.00 -1.01 0.00 0.00 64.21 60.80 1jfh n SER 270 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jfh n GLY 271 N -1.17 0.37 3.78 0.23 0.00 -1.26 -5.01 105.19 102.13 1jfh n GLY 271 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1jfh n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jfh s GLU 272 N -0.68 4.19 0.09 1.61 0.41 -0.60 -5.06 118.70 118.67 1jfh s GLU 272 Ca 0.00 1.52 0.04 0.00 -0.41 0.00 0.00 54.97 56.11 1jfh s GLU 272 Cb 0.00 -2.57 -0.03 0.00 -1.78 0.00 0.00 34.13 29.74 1jfh s GLU 272 CO 0.00 -0.12 -0.10 0.15 -0.49 0.00 0.00 175.26 174.70 1jfh s LYS 273 N -2.45 0.82 0.47 1.61 1.02 -1.26 -4.53 119.74 115.42 1jfh s LYS 273 Ca 0.57 -1.11 0.25 0.00 0.02 0.00 0.00 55.97 55.70 1jfh s LYS 273 Cb -0.22 -0.54 1.11 0.00 -0.52 0.00 0.00 37.83 37.65 1jfh s LYS 273 CO 0.28 0.09 1.91 0.52 -0.92 0.00 0.00 175.35 177.23 1jfh h MET 274 N 3.70 0.00 0.00 1.68 2.86 -1.80 -2.43 114.93 118.95 1jfh h MET 274 Ca -0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1jfh h MET 274 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1jfh h MET 274 CO 0.51 0.20 0.00 0.66 1.06 0.00 0.00 176.91 179.34 1jfh h SER 275 N 0.00 0.00 1.07 1.22 4.64 -1.79 -1.82 113.55 116.87 1jfh h SER 275 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jfh h SER 275 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1jfh h SER 275 CO 0.03 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.77 1jfh n TYR 276 N -2.94 0.91 1.61 4.77 4.01 -0.91 -3.34 117.16 121.27 1jfh n TYR 276 Ca -0.01 0.31 0.06 0.00 -0.16 0.00 0.00 57.90 58.11 1jfh n TYR 276 Cb 0.19 -1.01 0.34 0.00 -0.31 0.00 0.00 39.34 38.56 1jfh n TYR 276 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1jfh n LEU 277 N -2.29 0.00 -0.32 7.72 4.77 -0.68 -3.99 117.00 122.21 1jfh n LEU 277 Ca 0.04 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1jfh n LEU 277 Cb 0.32 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.58 1jfh n LEU 277 CO 0.25 0.00 1.19 0.50 -1.33 0.00 0.00 177.39 178.00 1jfh h LYS 278 N 0.00 0.92 -0.85 3.23 3.64 -1.78 -1.49 116.57 120.24 1jfh h LYS 278 Ca 0.00 -0.06 -0.38 0.00 -1.27 0.00 0.00 60.65 58.95 1jfh h LYS 278 Cb 0.00 -0.21 -0.22 0.00 -0.41 0.00 0.00 32.23 31.39 1jfh h LYS 278 CO 0.00 0.61 0.46 0.27 -2.27 0.00 0.00 179.45 178.51 1jfh n ASN 279 N -4.64 4.12 -4.65 4.20 2.04 -1.26 -5.01 115.26 110.06 1jfh n ASN 279 Ca 0.14 -3.46 -0.44 0.00 -0.44 0.00 0.00 54.58 50.38 1jfh n ASN 279 Cb 0.24 -0.79 -0.02 0.00 -2.53 0.00 0.00 39.78 36.68 1jfh n ASN 279 CO 0.00 0.00 0.00 1.87 -0.44 0.00 0.00 177.26 178.69 1jfh n TRP 280 N -0.75 1.88 0.00 -2.53 -0.00 -0.56 -3.50 117.44 111.98 1jfh n TRP 280 Ca 0.51 0.58 0.00 0.00 -0.00 0.00 0.00 57.50 58.59 1jfh n TRP 280 Cb 1.52 -2.37 0.00 0.00 -0.00 0.00 0.00 31.31 30.47 1jfh n TRP 280 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1jfh n GLY 281 N 1.30 0.06 0.29 5.87 0.00 -1.26 -4.65 105.19 106.80 1jfh n GLY 281 Ca 0.08 -1.64 0.16 0.00 0.00 0.00 0.00 46.02 44.62 1jfh n GLY 281 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jfh h GLU 282 N 0.00 0.00 0.00 1.61 5.08 -1.80 -1.12 114.58 118.35 1jfh h GLU 282 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1jfh h GLU 282 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jfh h GLU 282 CO 0.00 0.04 -0.06 0.78 -1.00 0.00 0.00 179.01 178.78 1jfh h GLY 283 N 0.40 0.00 -1.96 -3.84 0.00 -1.82 -1.87 103.07 93.99 1jfh h GLY 283 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jfh h GLY 283 CO 0.01 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.34 1jfh n TRP 284 N -3.30 0.69 -0.53 5.60 7.02 -0.43 -4.91 117.44 121.57 1jfh n TRP 284 Ca -0.01 -0.34 0.00 0.00 -1.02 0.00 0.00 57.50 56.12 1jfh n TRP 284 Cb 0.23 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.12 1jfh n TRP 284 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1jfh n GLY 285 N 1.36 0.70 3.89 6.99 0.00 -0.70 -5.02 105.19 112.41 1jfh n GLY 285 Ca 0.18 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1jfh n GLY 285 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jfh s PHE 286 N -2.00 3.57 1.13 1.61 0.08 -1.22 -5.03 117.98 116.12 1jfh s PHE 286 Ca 0.00 1.06 -0.14 0.00 0.12 0.00 0.00 56.93 57.97 1jfh s PHE 286 Cb 0.00 -2.58 0.26 0.00 -0.57 0.00 0.00 43.02 40.13 1jfh s PHE 286 CO 0.00 -0.56 1.05 0.00 -0.10 0.00 0.00 175.22 175.61 1jfh s MET 287 N -5.01 -0.65 0.52 0.44 0.23 -1.26 -4.49 119.30 109.09 1jfh s MET 287 Ca 0.52 0.55 -0.22 0.00 -1.03 0.00 0.00 55.69 55.51 1jfh s MET 287 Cb -0.11 -1.61 -0.06 0.00 -1.53 0.00 0.00 34.83 31.52 1jfh s MET 287 CO 0.50 -3.47 1.31 -2.30 -2.03 0.00 0.00 175.02 169.04 1jfh n PRO 288 N -4.69 1.71 -0.24 3.16 -0.02 -1.26 -4.63 135.00 129.02 1jfh n PRO 288 Ca 0.05 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1jfh n PRO 288 Cb 0.56 -2.51 0.12 0.00 -0.02 0.00 0.00 33.50 31.66 1jfh n PRO 288 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jfh h SER 289 N 1.53 0.50 0.00 2.55 0.87 -1.95 -1.74 113.55 115.30 1jfh h SER 289 Ca -0.50 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1jfh h SER 289 Cb 1.31 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1jfh h SER 289 CO 0.57 0.30 0.00 -0.90 -0.53 0.00 0.00 176.83 176.28 1jfh n ASP 290 N -4.83 0.00 -0.03 6.23 5.68 -1.26 -2.44 116.55 119.90 1jfh n ASP 290 Ca 0.10 -0.65 0.02 0.00 -0.50 0.00 0.00 54.79 53.76 1jfh n ASP 290 Cb 0.23 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.19 1jfh n ASP 290 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jfh n ARG 291 N -0.97 4.73 -3.87 0.11 5.12 -0.68 -4.91 116.66 116.19 1jfh n ARG 291 Ca 0.14 -0.10 -0.34 0.00 -1.93 0.00 0.00 57.85 55.62 1jfh n ARG 291 Cb 0.06 -0.77 -0.05 0.00 -1.16 0.00 0.00 32.46 30.54 1jfh n ARG 291 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jfh s ALA 292 N -1.33 3.93 -0.22 7.54 0.00 -1.02 -0.37 121.76 130.29 1jfh s ALA 292 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1jfh s ALA 292 Cb 0.04 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.26 1jfh s ALA 292 CO 0.18 0.72 -0.12 -1.17 0.00 0.00 0.00 175.76 175.36 1jfh s LEU 293 N -1.83 2.80 0.24 0.00 2.96 -0.71 -1.82 118.68 120.31 1jfh s LEU 293 Ca 0.26 -0.85 0.07 0.00 -0.22 0.00 0.00 54.13 53.39 1jfh s LEU 293 Cb -0.13 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1jfh s LEU 293 CO 0.17 -0.08 0.13 0.68 -1.32 0.00 0.00 176.35 175.93 1jfh s VAL 294 N 1.28 4.20 -0.09 1.68 -7.23 0.09 -2.14 120.40 118.20 1jfh s VAL 294 Ca 0.01 -1.46 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 1jfh s VAL 294 Cb -0.16 -3.24 0.12 0.00 0.56 0.00 0.00 36.38 33.66 1jfh s VAL 294 CO -0.08 -0.30 0.98 0.72 -0.31 0.00 0.00 175.10 176.11 1jfh s PHE 295 N -2.08 -0.32 -0.14 2.82 -0.71 -1.26 -1.07 117.98 115.22 1jfh s PHE 295 Ca 0.32 0.35 -0.24 0.00 -1.04 0.00 0.00 56.93 56.32 1jfh s PHE 295 Cb -0.08 0.50 -0.21 0.00 -1.21 0.00 0.00 43.02 42.02 1jfh s PHE 295 CO 0.23 -0.41 0.61 0.28 -1.34 0.00 0.00 175.22 174.58 1jfh h VAL 296 N 2.21 1.44 -4.19 -2.49 2.07 -1.93 -3.28 116.25 110.07 1jfh h VAL 296 Ca -0.19 -2.10 -0.15 0.00 0.82 0.00 0.00 66.70 65.09 1jfh h VAL 296 Cb 1.20 2.74 -0.15 0.00 -1.52 0.00 0.00 31.29 33.56 1jfh h VAL 296 CO 0.30 0.49 -0.68 1.51 0.02 0.00 0.00 177.57 179.21 1jfh s ASP 297 N -6.13 0.57 0.41 0.57 -4.77 -1.26 -4.49 116.67 101.56 1jfh s ASP 297 Ca -0.16 -1.03 0.04 0.00 -3.30 0.00 0.00 52.55 48.10 1jfh s ASP 297 Cb -0.02 0.20 -0.03 0.00 -1.09 0.00 0.00 42.92 41.98 1jfh s ASP 297 CO 0.57 -0.60 0.12 0.54 0.70 0.00 0.00 175.17 176.50 1jfh s ASN 298 N -2.96 2.82 0.54 2.11 4.22 -1.26 -4.68 114.94 115.72 1jfh s ASN 298 Ca 0.10 -1.66 0.20 0.00 -2.14 0.00 0.00 52.86 49.35 1jfh s ASN 298 Cb 0.08 0.48 1.40 0.00 1.28 0.00 0.00 41.25 44.48 1jfh s ASN 298 CO -0.08 -0.92 2.16 1.12 -2.04 0.00 0.00 177.10 177.35 1jfh h HIS 299 N 1.79 0.00 0.06 1.54 2.07 -1.99 -2.66 115.15 115.95 1jfh h HIS 299 Ca -0.36 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.16 1jfh h HIS 299 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 1jfh h HIS 299 CO 1.46 0.00 -0.03 -0.44 -3.07 0.00 0.00 177.93 175.86 1jfh h ASP 300 N 0.00 -0.06 0.41 3.10 3.32 -1.96 -3.39 116.42 117.83 1jfh h ASP 300 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1jfh h ASP 300 Cb 0.06 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1jfh h ASP 300 CO -0.00 0.13 0.00 -0.46 -1.72 0.00 0.00 179.24 177.19 1jfh n ASN 301 N -3.17 0.19 0.12 6.45 0.23 -1.16 -1.39 115.26 116.53 1jfh n ASN 301 Ca -0.01 0.56 0.12 0.00 -0.53 0.00 0.00 54.58 54.72 1jfh n ASN 301 Cb 0.03 -0.59 0.46 0.00 -2.08 0.00 0.00 39.78 37.59 1jfh n ASN 301 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jfh n GLN 302 N -1.72 0.23 -0.50 -3.83 10.64 -1.00 -3.16 117.38 118.03 1jfh n GLN 302 Ca 0.02 0.34 0.06 0.00 -1.83 0.00 0.00 57.00 55.59 1jfh n GLN 302 Cb 0.14 -1.85 0.12 0.00 -0.86 0.00 0.00 30.24 27.78 1jfh n GLN 302 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1jfh n ARG 303 N -2.26 0.94 -0.98 2.61 1.85 -0.89 -4.99 116.66 112.94 1jfh n ARG 303 Ca 0.04 -2.40 0.00 0.00 -1.00 0.00 0.00 57.85 54.48 1jfh n ARG 303 Cb 0.32 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 30.59 1jfh n ARG 303 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jfh n GLY 304 N -0.81 0.56 3.98 2.89 0.00 -1.19 -4.83 105.19 105.79 1jfh n GLY 304 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1jfh n GLY 304 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jfh s HIS 305 N -2.36 2.28 0.00 1.61 3.76 -0.49 -4.46 115.29 115.64 1jfh s HIS 305 Ca 0.00 -0.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 1jfh s HIS 305 Cb 0.00 -2.87 0.00 0.00 1.11 0.00 0.00 32.58 30.82 1jfh s HIS 305 CO 0.00 -1.27 0.00 0.41 -0.85 0.00 0.00 174.74 173.03 1jfh n GLY 306 N -2.59 2.00 0.09 -2.22 0.00 -1.26 -1.76 105.19 99.46 1jfh n GLY 306 Ca 0.11 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1jfh n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfh h ALA 307 N -0.52 0.78 -0.87 4.61 0.00 -1.95 -3.49 119.26 117.82 1jfh h ALA 307 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jfh h ALA 307 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jfh h ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1jfh n GLY 308 N 1.32 3.14 0.00 0.00 0.00 -0.72 -4.99 105.19 103.93 1jfh n GLY 308 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1jfh n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfh n GLY 309 N 0.00 2.87 0.19 -0.02 0.00 -1.26 -4.85 105.19 102.12 1jfh n GLY 309 Ca 0.00 -1.28 0.06 0.00 0.00 0.00 0.00 46.02 44.79 1jfh n GLY 309 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jfh h SER 310 N 0.00 0.00 1.32 1.61 0.02 -1.96 -3.16 113.55 111.37 1jfh h SER 310 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jfh h SER 310 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jfh h SER 310 CO 0.00 0.36 0.00 -1.54 -1.14 0.00 0.00 176.83 174.51 1jfh n SER 311 N -3.59 0.80 -4.68 3.07 3.41 -1.26 -4.87 113.62 106.50 1jfh n SER 311 Ca -0.00 0.60 -0.46 0.00 -0.26 0.00 0.00 58.87 58.74 1jfh n SER 311 Cb 0.48 -0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 63.59 1jfh n SER 311 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1jfh n ILE 312 N -2.27 0.31 -3.41 -1.33 2.08 -1.20 -4.21 119.36 109.33 1jfh n ILE 312 Ca 0.05 -0.06 -0.38 0.00 0.56 0.00 0.00 62.75 62.92 1jfh n ILE 312 Cb 0.39 -1.81 -0.06 0.00 -0.75 0.00 0.00 39.64 37.40 1jfh n ILE 312 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1jfh s LEU 313 N 2.56 4.44 0.00 1.39 1.43 -1.26 -5.06 118.68 122.17 1jfh s LEU 313 Ca 0.85 0.98 0.05 0.00 -1.03 0.00 0.00 54.13 54.98 1jfh s LEU 313 Cb -0.63 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 1jfh s LEU 313 CO 0.43 0.24 0.18 0.35 0.23 0.00 0.00 176.35 177.78 1jfh n THR 314 N 2.25 0.00 0.31 5.49 -2.24 -1.26 -4.34 114.28 114.49 1jfh n THR 314 Ca -0.12 -2.12 0.19 0.00 -2.27 0.00 0.00 64.05 59.74 1jfh n THR 314 Cb 0.52 0.89 1.02 0.00 -2.10 0.00 0.00 70.33 70.66 1jfh n THR 314 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1jfh h PHE 315 N 1.75 0.00 0.00 4.78 -5.15 -1.97 -1.55 116.94 114.81 1jfh h PHE 315 Ca -0.25 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.50 1jfh h PHE 315 Cb 1.06 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.23 1jfh h PHE 315 CO 0.00 0.02 -0.09 -1.49 -2.00 0.00 0.00 178.31 174.74 1jfh h TRP 316 N 0.00 0.00 -2.17 6.09 4.06 -1.98 -2.52 115.95 119.42 1jfh h TRP 316 Ca -0.00 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 60.31 1jfh h TRP 316 Cb 0.14 0.00 -0.38 0.00 -1.00 0.00 0.00 29.16 27.92 1jfh h TRP 316 CO 0.00 0.09 -0.26 -0.25 -3.56 0.00 0.00 178.44 174.47 1jfh n ASP 317 N -4.07 5.21 -0.36 -3.49 8.00 -0.58 -4.96 116.55 116.29 1jfh n ASP 317 Ca -0.03 -3.70 -0.02 0.00 0.71 0.00 0.00 54.79 51.76 1jfh n ASP 317 Cb 0.18 -0.69 0.03 0.00 -0.02 0.00 0.00 41.12 40.62 1jfh n ASP 317 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jfh n ALA 318 N -0.25 -0.16 -0.06 2.24 0.00 -0.95 -1.10 120.51 120.23 1jfh n ALA 318 Ca 0.36 0.92 -0.08 0.00 0.00 0.00 0.00 53.44 54.64 1jfh n ALA 318 Cb 0.39 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.43 1jfh n ALA 318 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1jfh h ARG 319 N 0.00 0.10 -0.08 0.00 2.43 -1.91 -1.45 114.38 113.47 1jfh h ARG 319 Ca 0.31 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.31 1jfh h ARG 319 Cb 0.55 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1jfh h ARG 319 CO -0.93 0.07 -0.65 -0.07 -1.51 0.00 0.00 179.97 176.88 1jfh h LEU 320 N 0.10 0.38 -0.60 3.80 4.07 -1.85 -3.14 115.31 118.07 1jfh h LEU 320 Ca 0.11 -0.23 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 1jfh h LEU 320 Cb 0.13 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 1jfh h LEU 320 CO -0.17 0.93 0.36 0.22 -1.08 0.00 0.00 178.44 178.69 1jfh h TYR 321 N 0.24 0.79 -0.26 1.13 3.20 -0.81 -1.15 116.97 120.11 1jfh h TYR 321 Ca -0.01 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1jfh h TYR 321 Cb 1.19 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1jfh h TYR 321 CO 0.03 0.54 -0.11 0.87 -1.64 0.00 0.00 178.16 177.85 1jfh h LYS 322 N 0.81 0.42 -0.19 1.82 1.57 -1.27 -0.17 116.57 119.55 1jfh h LYS 322 Ca 0.21 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1jfh h LYS 322 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1jfh h LYS 322 CO -0.04 0.54 -0.07 0.82 -0.57 0.00 0.00 179.45 180.13 1jfh h ILE 323 N 0.39 1.30 -0.43 1.86 2.04 -1.37 0.20 117.51 121.50 1jfh h ILE 323 Ca 0.08 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.79 1jfh h ILE 323 Cb 0.44 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1jfh h ILE 323 CO 0.02 0.33 0.05 0.00 0.00 0.00 0.00 178.15 178.55 1jfh h ALA 324 N 0.71 0.58 -0.51 1.87 0.00 -1.00 -0.72 119.26 120.19 1jfh h ALA 324 Ca 0.05 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1jfh h ALA 324 Cb 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1jfh h ALA 324 CO 0.02 0.32 -0.10 0.28 0.00 0.00 0.00 179.25 179.78 1jfh h VAL 325 N 0.58 1.26 -0.70 0.00 2.07 -1.05 -1.54 116.25 116.88 1jfh h VAL 325 Ca 0.13 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 1jfh h VAL 325 Cb 0.42 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1jfh h VAL 325 CO 0.01 0.43 0.23 1.23 0.02 0.00 0.00 177.57 179.49 1jfh h GLY 326 N 0.96 1.15 0.91 2.17 0.00 -0.75 -1.13 103.07 106.38 1jfh h GLY 326 Ca 0.14 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1jfh h GLY 326 CO 0.04 0.63 0.05 -2.75 0.00 0.00 0.00 176.54 174.51 1jfh h PHE 327 N 1.02 0.62 -0.22 5.60 3.57 -0.90 -2.15 116.94 124.47 1jfh h PHE 327 Ca 0.23 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1jfh h PHE 327 Cb 0.28 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1jfh h PHE 327 CO 0.02 0.65 0.11 1.98 -2.23 0.00 0.00 178.31 178.83 1jfh h MET 328 N 0.41 0.22 -0.06 1.11 4.05 -1.03 -0.85 114.93 118.78 1jfh h MET 328 Ca 0.11 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.46 1jfh h MET 328 Cb 0.36 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1jfh h MET 328 CO 0.01 0.15 -0.18 -0.07 0.23 0.00 0.00 176.91 177.04 1jfh h LEU 329 N 0.23 0.10 0.00 3.39 4.07 -1.17 -2.95 115.31 118.98 1jfh h LEU 329 Ca 0.09 -0.02 -0.21 0.00 0.08 0.00 0.00 57.88 57.82 1jfh h LEU 329 Cb 0.02 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 1jfh h LEU 329 CO -0.06 0.29 -1.11 0.00 -1.08 0.00 0.00 178.44 176.47 1jfh h ALA 330 N 1.72 0.52 -2.61 1.53 0.00 -1.05 -3.39 119.26 115.98 1jfh h ALA 330 Ca 0.02 -0.96 -0.52 0.00 0.00 0.00 0.00 54.91 53.45 1jfh h ALA 330 Cb 0.38 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1jfh h ALA 330 CO 0.03 1.21 0.32 -1.58 0.00 0.00 0.00 179.25 179.22 1jfh s HIS 331 N -2.74 3.83 -0.45 0.00 5.65 -0.35 -4.95 115.29 116.27 1jfh s HIS 331 Ca -0.00 1.75 0.20 0.00 0.25 0.00 0.00 55.06 57.26 1jfh s HIS 331 Cb 0.09 -2.99 0.95 0.00 -1.18 0.00 0.00 32.58 29.45 1jfh s HIS 331 CO 0.81 0.27 1.61 -0.35 -0.65 0.00 0.00 174.74 176.43 1jfh n PRO 332 N 2.57 0.14 -2.06 2.88 -0.04 -1.26 -4.83 135.00 132.40 1jfh n PRO 332 Ca 0.01 0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 1jfh n PRO 332 Cb 0.49 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 1jfh n PRO 332 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1jfh s TYR 333 N -3.36 3.15 0.30 0.54 5.04 -1.26 -4.89 117.35 116.87 1jfh s TYR 333 Ca 0.01 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.47 1jfh s TYR 333 Cb 0.07 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.59 1jfh s TYR 333 CO 0.27 -2.82 0.00 0.41 -1.34 0.00 0.00 175.55 172.07 1jfh n GLY 334 N 3.48 -1.87 3.64 8.97 0.00 -1.25 -4.80 105.19 113.35 1jfh n GLY 334 Ca 0.12 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1jfh n GLY 334 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jfh s PHE 335 N -2.04 3.28 0.03 1.61 5.36 -0.75 -4.92 117.98 120.55 1jfh s PHE 335 Ca 0.00 0.13 -0.21 0.00 -0.96 0.00 0.00 56.93 55.88 1jfh s PHE 335 Cb 0.00 -2.21 -0.06 0.00 -0.34 0.00 0.00 43.02 40.41 1jfh s PHE 335 CO 0.00 0.06 0.64 0.95 -1.46 0.00 0.00 175.22 175.40 1jfh s THR 336 N 0.91 4.79 -0.13 0.12 -4.23 -1.26 -0.73 115.64 115.11 1jfh s THR 336 Ca 0.06 1.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.94 1jfh s THR 336 Cb -0.13 -3.98 0.01 0.00 1.34 0.00 0.00 72.50 69.75 1jfh s THR 336 CO 0.03 0.45 -0.19 -0.60 -0.54 0.00 0.00 174.62 173.77 1jfh s ARG 337 N -0.44 2.69 -0.06 3.99 3.52 -0.23 -2.07 118.95 126.36 1jfh s ARG 337 Ca 0.32 -0.73 -0.11 0.00 -0.13 0.00 0.00 55.73 55.08 1jfh s ARG 337 Cb -0.19 -2.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.91 1jfh s ARG 337 CO 0.19 -0.07 0.28 0.08 -0.81 0.00 0.00 175.30 174.97 1jfh s VAL 338 N 0.98 5.26 0.11 7.11 1.01 0.37 -4.47 120.40 130.77 1jfh s VAL 338 Ca -0.04 0.54 -0.10 0.00 0.00 0.00 0.00 61.98 62.37 1jfh s VAL 338 Cb -0.15 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1jfh s VAL 338 CO -0.04 0.60 0.44 -0.32 0.00 0.00 0.00 175.10 175.78 1jfh s MET 339 N -1.03 3.79 -0.09 2.72 1.75 -1.26 -0.92 119.30 124.26 1jfh s MET 339 Ca 0.20 0.22 -0.03 0.00 -1.25 0.00 0.00 55.69 54.82 1jfh s MET 339 Cb -0.14 -2.93 0.04 0.00 2.84 0.00 0.00 34.83 34.63 1jfh s MET 339 CO 0.09 0.51 0.07 0.45 -0.65 0.00 0.00 175.02 175.49 1jfh s SER 340 N -1.88 1.56 0.17 1.11 0.15 -0.93 -4.28 113.70 109.60 1jfh s SER 340 Ca 0.36 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.85 1jfh s SER 340 Cb -0.14 -0.17 -0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1jfh s SER 340 CO 0.19 -0.29 0.03 -1.54 1.20 0.00 0.00 173.24 172.83 1jfh n SER 341 N 5.29 1.78 -4.39 5.45 3.41 -1.26 -3.22 113.62 120.69 1jfh n SER 341 Ca -0.04 -1.79 -0.24 0.00 -0.26 0.00 0.00 58.87 56.53 1jfh n SER 341 Cb 0.50 0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 64.59 1jfh n SER 341 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1jfh s TYR 342 N -1.88 2.07 0.05 7.33 -0.85 -1.26 -0.54 117.35 122.28 1jfh s TYR 342 Ca 0.04 -0.41 -0.11 0.00 -0.52 0.00 0.00 57.07 56.06 1jfh s TYR 342 Cb 0.00 -1.00 -0.06 0.00 0.38 0.00 0.00 41.96 41.28 1jfh s TYR 342 CO 0.03 0.46 0.40 0.50 -1.52 0.00 0.00 175.55 175.41 1jfh s ARG 343 N -2.91 3.80 0.06 -3.49 3.52 -0.26 -4.84 118.95 114.83 1jfh s ARG 343 Ca 0.20 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 1jfh s ARG 343 Cb -0.06 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1jfh s ARG 343 CO 0.09 0.60 -0.05 1.67 -0.81 0.00 0.00 175.30 176.80 1jfh s TRP 344 N -1.31 0.61 -0.32 5.12 -2.14 -1.26 -4.89 118.94 114.76 1jfh s TRP 344 Ca 0.30 -0.89 -0.29 0.00 2.66 0.00 0.00 56.10 57.89 1jfh s TRP 344 Cb -0.15 -0.40 0.00 0.00 -3.10 0.00 0.00 33.47 29.83 1jfh s TRP 344 CO 0.16 -0.25 1.27 0.00 -2.66 0.00 0.00 176.95 175.47 1jfh s ALA 345 N -3.21 3.35 0.25 2.67 0.00 -1.26 -5.01 121.76 118.55 1jfh s ALA 345 Ca 0.03 0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.90 1jfh s ALA 345 Cb 0.03 -3.78 -0.08 0.00 0.00 0.00 0.00 23.12 19.29 1jfh s ALA 345 CO -0.06 -1.79 0.65 1.03 0.00 0.00 0.00 175.76 175.58 1jfh s ARG 346 N 4.16 3.97 -0.29 0.00 0.52 -1.26 -4.73 118.95 121.33 1jfh s ARG 346 Ca 0.55 0.55 -0.03 0.00 -0.52 0.00 0.00 55.73 56.27 1jfh s ARG 346 Cb -0.15 -2.64 0.11 0.00 0.52 0.00 0.00 34.95 32.78 1jfh s ARG 346 CO 0.23 0.29 0.17 1.21 0.02 0.00 0.00 175.30 177.22 1jfh s ASN 347 N -2.13 3.10 -0.26 0.23 2.47 -1.26 -5.00 114.94 112.09 1jfh s ASN 347 Ca 0.48 -1.16 -0.24 0.00 0.42 0.00 0.00 52.86 52.36 1jfh s ASN 347 Cb -0.12 -0.16 -0.00 0.00 -1.45 0.00 0.00 41.25 39.52 1jfh s ASN 347 CO 0.19 -0.43 0.83 -0.36 -3.72 0.00 0.00 177.10 173.61 1jfh s PHE 348 N 2.16 3.27 -0.15 0.43 0.40 -1.26 -1.40 117.98 121.44 1jfh s PHE 348 Ca 0.09 1.04 0.01 0.00 -0.60 0.00 0.00 56.93 57.47 1jfh s PHE 348 Cb -0.16 -3.13 0.02 0.00 0.51 0.00 0.00 43.02 40.27 1jfh s PHE 348 CO -0.36 -0.46 -0.18 0.14 0.70 0.00 0.00 175.22 175.06 1jfh s VAL 349 N 2.91 1.82 -1.37 -0.44 -7.23 0.11 -4.70 120.40 111.50 1jfh s VAL 349 Ca 0.34 -0.81 -0.06 0.00 -1.81 0.00 0.00 61.98 59.65 1jfh s VAL 349 Cb -0.15 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.17 1jfh s VAL 349 CO 0.09 0.50 0.91 0.59 -0.31 0.00 0.00 175.10 176.88 1jfh n ASN 350 N 4.45 -3.21 -1.06 4.85 5.03 -1.26 -1.91 115.26 122.13 1jfh n ASN 350 Ca -0.19 -0.73 -0.14 0.00 0.87 0.00 0.00 54.58 54.39 1jfh n ASN 350 Cb 0.51 -4.34 -0.06 0.00 -1.02 0.00 0.00 39.78 34.87 1jfh n ASN 350 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jfh n GLY 351 N -1.61 1.39 2.88 7.41 0.00 -1.26 -5.00 105.19 108.99 1jfh n GLY 351 Ca -0.15 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1jfh n GLY 351 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jfh s GLU 352 N -3.20 0.10 -0.31 1.61 -1.05 -0.80 -5.08 118.70 109.95 1jfh s GLU 352 Ca 0.00 -0.02 -0.29 0.00 -0.15 0.00 0.00 54.97 54.51 1jfh s GLU 352 Cb 0.00 -0.12 0.01 0.00 -0.44 0.00 0.00 34.13 33.58 1jfh s GLU 352 CO 0.00 0.01 1.12 0.34 0.95 0.00 0.00 175.26 177.67 1jfh s ASP 353 N 0.09 6.89 0.00 0.83 2.15 -1.26 -0.72 116.67 124.66 1jfh s ASP 353 Ca -0.01 1.09 0.28 0.00 0.43 0.00 0.00 52.55 54.35 1jfh s ASP 353 Cb -0.02 -2.54 1.10 0.00 -0.30 0.00 0.00 42.92 41.16 1jfh s ASP 353 CO -0.00 -0.91 1.77 1.33 -0.17 0.00 0.00 175.17 177.19 1jfh n VAL 354 N 5.92 0.00 -0.77 1.11 0.24 -0.49 -3.61 118.33 120.73 1jfh n VAL 354 Ca 0.12 -0.18 0.08 0.00 -2.04 0.00 0.00 64.34 62.33 1jfh n VAL 354 Cb 0.47 0.30 0.34 0.00 -1.47 0.00 0.00 33.84 33.48 1jfh n VAL 354 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1jfh n ASN 355 N -0.26 4.82 0.00 -1.34 3.02 -1.26 -4.58 115.26 115.66 1jfh n ASN 355 Ca 0.18 -2.70 0.06 0.00 -0.03 0.00 0.00 54.58 52.08 1jfh n ASN 355 Cb 0.32 -0.59 0.35 0.00 -0.61 0.00 0.00 39.78 39.26 1jfh n ASN 355 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1jfh n ASP 356 N 0.58 0.00 0.05 6.41 5.68 -1.24 -2.28 116.55 125.75 1jfh n ASP 356 Ca 0.25 -0.25 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 1jfh n ASP 356 Cb 0.97 -0.08 -0.07 0.00 -1.14 0.00 0.00 41.12 40.80 1jfh n ASP 356 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 1jfh h TRP 357 N 0.00 0.00 -1.21 2.11 5.08 -1.91 -3.48 115.95 116.55 1jfh h TRP 357 Ca 0.00 0.00 -0.79 0.00 1.08 0.00 0.00 58.89 59.18 1jfh h TRP 357 Cb 0.03 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.23 1jfh h TRP 357 CO 0.00 0.61 0.45 -0.89 -1.28 0.00 0.00 178.44 177.34 1jfh n ILE 358 N -2.99 0.05 -2.05 0.12 5.41 -0.97 -2.71 119.36 116.22 1jfh n ILE 358 Ca -0.07 -0.01 -0.22 0.00 1.00 0.00 0.00 62.75 63.45 1jfh n ILE 358 Cb 0.84 -0.49 0.14 0.00 -0.71 0.00 0.00 39.64 39.42 1jfh n ILE 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jfh n GLY 359 N 2.86 -0.65 3.70 7.39 0.00 -1.25 -4.31 105.19 112.93 1jfh n GLY 359 Ca 0.24 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 1jfh n GLY 359 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jfh s PRO 360 N -5.10 1.57 0.15 1.61 0.04 -1.26 -4.89 135.00 127.11 1jfh s PRO 360 Ca 0.59 1.67 -0.34 0.00 0.04 0.00 0.00 61.00 62.97 1jfh s PRO 360 Cb -0.02 -1.78 -0.16 0.00 0.04 0.00 0.00 34.50 32.58 1jfh s PRO 360 CO 0.41 -2.24 1.19 -2.30 0.04 0.00 0.00 177.00 174.09 1jfh n PRO 361 N -3.48 1.09 -3.69 0.56 -0.02 -1.26 -4.87 135.00 123.33 1jfh n PRO 361 Ca 0.13 0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1jfh n PRO 361 Cb 0.51 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1jfh n PRO 361 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jfh s ASN 362 N 0.09 -0.25 -0.51 2.55 2.20 -1.26 -0.91 114.94 116.84 1jfh s ASN 362 Ca 0.76 -0.41 0.02 0.00 -0.94 0.00 0.00 52.86 52.29 1jfh s ASN 362 Cb -0.89 0.54 0.13 0.00 -2.00 0.00 0.00 41.25 39.02 1jfh s ASN 362 CO 0.51 -0.97 0.27 0.20 -2.94 0.00 0.00 177.10 174.17 1jfh s ASN 363 N -2.85 4.59 -1.34 3.54 0.01 0.18 -4.74 114.94 114.33 1jfh s ASN 363 Ca 0.07 -2.84 -0.07 0.00 -0.71 0.00 0.00 52.86 49.31 1jfh s ASN 363 Cb 0.00 -1.69 0.02 0.00 0.41 0.00 0.00 41.25 39.99 1jfh s ASN 363 CO -0.07 -0.29 1.10 0.59 -1.51 0.00 0.00 177.10 176.93 1jfh n ASN 364 N 3.38 -4.98 0.00 -1.22 3.02 -1.26 -2.51 115.26 111.69 1jfh n ASN 364 Ca 0.05 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 1jfh n ASN 364 Cb 0.35 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.64 1jfh n ASN 364 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jfh n GLY 365 N -1.76 3.17 3.62 7.41 0.00 -1.26 -5.04 105.19 111.33 1jfh n GLY 365 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1jfh n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jfh s VAL 366 N -2.92 4.87 0.20 1.61 1.01 -1.05 -5.00 120.40 119.12 1jfh s VAL 366 Ca 0.00 1.26 -0.32 0.00 0.00 0.00 0.00 61.98 62.92 1jfh s VAL 366 Cb 0.00 -4.07 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 1jfh s VAL 366 CO 0.00 -0.12 1.59 -0.38 0.00 0.00 0.00 175.10 176.19 1jfh n ILE 367 N 5.35 0.30 -2.41 2.22 5.41 -1.26 -0.65 119.36 128.32 1jfh n ILE 367 Ca 0.03 -0.07 -0.35 0.00 1.00 0.00 0.00 62.75 63.35 1jfh n ILE 367 Cb 0.48 -1.70 -0.02 0.00 -0.71 0.00 0.00 39.64 37.70 1jfh n ILE 367 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1jfh s LYS 368 N 0.56 3.69 0.63 0.38 1.02 -0.08 -4.86 119.74 121.08 1jfh s LYS 368 Ca 0.74 1.52 -0.15 0.00 0.02 0.00 0.00 55.97 58.10 1jfh s LYS 368 Cb -0.61 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 1jfh s LYS 368 CO 0.40 -0.55 1.08 -1.83 -0.92 0.00 0.00 175.35 173.52 1jfh s GLU 369 N -3.08 3.07 -0.48 1.68 -1.05 -1.26 -4.91 118.70 112.66 1jfh s GLU 369 Ca 0.67 1.26 -0.23 0.00 -0.15 0.00 0.00 54.97 56.53 1jfh s GLU 369 Cb -0.21 -1.99 0.03 0.00 -0.44 0.00 0.00 34.13 31.52 1jfh s GLU 369 CO 0.25 -1.02 0.80 0.08 0.95 0.00 0.00 175.26 176.33 1jfh s VAL 370 N -2.45 4.61 0.12 1.83 1.01 -1.26 -4.81 120.40 119.45 1jfh s VAL 370 Ca 0.65 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 1jfh s VAL 370 Cb -0.18 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.77 1jfh s VAL 370 CO 0.40 -0.83 0.48 0.42 0.00 0.00 0.00 175.10 175.58 1jfh s THR 371 N 3.37 4.96 -0.18 3.92 -4.23 -1.26 -4.96 115.64 117.25 1jfh s THR 371 Ca 0.28 0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 61.41 1jfh s THR 371 Cb -0.13 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 1jfh s THR 371 CO 0.20 0.25 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.85 1jfh s ILE 372 N -1.45 3.49 0.72 2.99 -1.09 -1.26 -0.92 121.20 123.69 1jfh s ILE 372 Ca 0.36 -0.48 -0.09 0.00 -2.23 0.00 0.00 60.65 58.22 1jfh s ILE 372 Cb -0.14 -2.55 0.06 0.00 -1.58 0.00 0.00 42.46 38.24 1jfh s ILE 372 CO 0.19 0.46 1.06 0.20 -1.23 0.00 0.00 174.94 175.61 1jfh s ASN 373 N 0.94 4.88 0.43 3.58 0.02 -0.04 -4.97 114.94 119.78 1jfh s ASN 373 Ca -0.01 0.65 0.10 0.00 -1.02 0.00 0.00 52.86 52.58 1jfh s ASN 373 Cb -0.15 -1.31 0.96 0.00 0.02 0.00 0.00 41.25 40.78 1jfh s ASN 373 CO 0.01 -1.60 2.04 0.00 0.02 0.00 0.00 177.10 177.57 1jfh h ALA 374 N -0.69 1.85 -0.20 0.60 0.00 -2.00 -1.71 119.26 117.12 1jfh h ALA 374 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jfh h ALA 374 Cb 1.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1jfh h ALA 374 CO 0.62 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 1jfh n ASP 375 N -4.48 1.33 0.00 0.00 5.75 -1.26 -4.89 116.55 113.00 1jfh n ASP 375 Ca 0.05 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1jfh n ASP 375 Cb 0.18 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1jfh n ASP 375 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1jfh n THR 376 N 0.11 0.00 -2.29 2.12 -2.24 -0.64 -5.04 114.28 106.30 1jfh n THR 376 Ca 0.07 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.59 1jfh n THR 376 Cb 0.24 -0.14 0.10 0.00 -2.10 0.00 0.00 70.33 68.44 1jfh n THR 376 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jfh s THR 377 N -2.64 2.20 0.20 4.28 -4.23 -1.26 -4.80 115.64 109.39 1jfh s THR 377 Ca 0.00 -0.34 0.05 0.00 -1.18 0.00 0.00 61.69 60.22 1jfh s THR 377 Cb 0.00 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 1jfh s THR 377 CO 0.00 0.00 0.19 0.00 -0.54 0.00 0.00 174.62 174.27 1jfh n GLY 379 N -0.71 3.05 2.41 0.00 0.00 -0.10 -4.69 105.19 105.15 1jfh n GLY 379 Ca -0.08 -2.19 -0.20 0.00 0.00 0.00 0.00 46.02 43.55 1jfh n GLY 379 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jfh n ASN 380 N -1.96 -5.63 -1.04 1.61 3.02 -1.26 -2.58 115.26 107.42 1jfh n ASN 380 Ca -0.00 0.03 -0.13 0.00 -0.03 0.00 0.00 54.58 54.44 1jfh n ASN 380 Cb 0.08 -4.71 -0.05 0.00 -0.61 0.00 0.00 39.78 34.49 1jfh n ASN 380 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jfh n ASP 381 N -1.96 -4.55 -4.63 6.41 8.00 -1.26 -4.75 116.55 113.81 1jfh n ASP 381 Ca -0.23 0.30 -0.40 0.00 0.71 0.00 0.00 54.79 55.17 1jfh n ASP 381 Cb 0.68 -3.24 -0.07 0.00 -0.02 0.00 0.00 41.12 38.47 1jfh n ASP 381 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1jfh s TRP 382 N -2.50 3.28 0.19 1.24 0.52 -1.06 -1.10 118.94 119.51 1jfh s TRP 382 Ca 0.00 0.75 -0.07 0.00 0.02 0.00 0.00 56.10 56.79 1jfh s TRP 382 Cb 0.00 -2.78 0.11 0.00 -1.15 0.00 0.00 33.47 29.65 1jfh s TRP 382 CO 0.00 -0.29 1.63 0.28 0.02 0.00 0.00 176.95 178.59 1jfh h VAL 383 N 5.39 1.27 -6.29 4.03 2.07 -1.14 -3.41 116.25 118.16 1jfh h VAL 383 Ca -0.28 -1.24 -0.44 0.00 0.82 0.00 0.00 66.70 65.56 1jfh h VAL 383 Cb 1.13 0.98 0.07 0.00 -1.52 0.00 0.00 31.29 31.95 1jfh h VAL 383 CO 0.75 0.43 -0.93 0.00 0.02 0.00 0.00 177.57 177.84 1jfh h GLU 385 N -1.86 0.04 0.00 0.00 3.07 -1.89 -1.24 114.58 112.70 1jfh h GLU 385 Ca -0.65 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.20 1jfh h GLU 385 Cb 1.36 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 1jfh h GLU 385 CO 0.48 0.13 0.00 -2.39 -1.40 0.00 0.00 179.01 175.82 1jfh n HIS 386 N -4.42 0.62 1.01 4.33 1.44 -1.26 -1.75 115.22 115.19 1jfh n HIS 386 Ca -0.02 0.28 0.10 0.00 -2.01 0.00 0.00 57.72 56.07 1jfh n HIS 386 Cb 0.17 -0.94 -0.05 0.00 0.12 0.00 0.00 29.99 29.29 1jfh n HIS 386 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1jfh n ARG 387 N -2.09 0.24 -1.99 -1.40 1.74 -0.47 -4.14 116.66 108.55 1jfh n ARG 387 Ca 0.01 -0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 56.48 1jfh n ARG 387 Cb 0.14 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 1jfh n ARG 387 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1jfh s TRP 388 N -2.89 3.03 0.22 -1.55 0.52 -0.71 -4.83 118.94 112.72 1jfh s TRP 388 Ca 0.11 0.90 -0.09 0.00 0.02 0.00 0.00 56.10 57.04 1jfh s TRP 388 Cb 0.17 -3.85 0.34 0.00 -1.15 0.00 0.00 33.47 28.97 1jfh s TRP 388 CO 0.79 -2.90 1.69 -0.09 0.02 0.00 0.00 176.95 176.47 1jfh h ARG 389 N 5.59 0.23 -0.43 4.98 2.43 -1.91 -0.59 114.38 124.69 1jfh h ARG 389 Ca -0.45 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.75 1jfh h ARG 389 Cb 1.21 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1jfh h ARG 389 CO 0.82 0.15 0.29 0.93 -1.51 0.00 0.00 179.97 180.65 1jfh h GLU 390 N 0.24 0.38 0.09 0.20 3.07 -1.83 -0.63 114.58 116.10 1jfh h GLU 390 Ca 0.34 -0.02 -0.26 0.00 -0.50 0.00 0.00 59.36 58.92 1jfh h GLU 390 Cb 0.54 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1jfh h GLU 390 CO -0.45 0.25 -1.36 0.82 -1.40 0.00 0.00 179.01 176.87 1jfh h ILE 391 N 0.39 1.01 -0.67 3.13 2.04 -1.55 -3.23 117.51 118.63 1jfh h ILE 391 Ca 0.18 -2.35 -0.03 0.00 1.00 0.00 0.00 64.86 63.67 1jfh h ILE 391 Cb 0.23 2.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1jfh h ILE 391 CO -0.04 0.64 0.30 0.08 0.00 0.00 0.00 178.15 179.12 1jfh h ARG 392 N -0.45 0.96 0.00 2.37 0.11 -1.03 -1.58 114.38 114.76 1jfh h ARG 392 Ca -0.31 -0.14 -0.07 0.00 0.10 0.00 0.00 59.98 59.56 1jfh h ARG 392 Cb 1.65 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 32.55 1jfh h ARG 392 CO 0.00 0.76 -0.33 -0.91 0.10 0.00 0.00 179.97 179.60 1jfh h ASN 393 N 0.95 0.00 1.71 0.08 2.35 -1.28 -2.26 115.58 117.14 1jfh h ASN 393 Ca 0.23 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 1jfh h ASN 393 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1jfh h ASN 393 CO -0.03 0.33 -0.29 0.24 -1.65 0.00 0.00 177.43 176.03 1jfh h MET 394 N 0.00 0.00 -0.28 0.81 2.86 -1.43 -0.95 114.93 115.94 1jfh h MET 394 Ca -0.00 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 1jfh h MET 394 Cb 0.88 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.54 1jfh h MET 394 CO 0.04 0.22 -0.54 0.28 1.06 0.00 0.00 176.91 177.96 1jfh h VAL 395 N 0.00 1.28 -0.36 -2.22 2.07 -0.90 -1.91 116.25 114.20 1jfh h VAL 395 Ca -0.01 -1.73 -0.11 0.00 0.82 0.00 0.00 66.70 65.67 1jfh h VAL 395 Cb 1.18 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1jfh h VAL 395 CO 0.03 0.56 -0.21 -0.25 0.02 0.00 0.00 177.57 177.73 1jfh h TRP 396 N 0.65 0.90 -0.53 1.57 2.91 -1.30 -2.93 115.95 117.23 1jfh h TRP 396 Ca 0.01 -0.23 0.09 0.00 1.13 0.00 0.00 58.89 59.89 1jfh h TRP 396 Cb 1.15 -0.21 -0.07 0.00 -0.51 0.00 0.00 29.16 29.52 1jfh h TRP 396 CO 0.07 0.98 0.14 0.35 -1.03 0.00 0.00 178.44 178.95 1jfh h PHE 397 N 0.57 0.23 -0.57 2.65 3.04 -1.06 -1.17 116.94 120.63 1jfh h PHE 397 Ca 0.08 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 1jfh h PHE 397 Cb 0.76 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.22 1jfh h PHE 397 CO 0.06 0.03 0.34 -0.09 -2.02 0.00 0.00 178.31 176.63 1jfh h ARG 398 N 0.29 0.76 -0.24 1.11 2.43 -1.18 -1.79 114.38 115.76 1jfh h ARG 398 Ca 0.26 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1jfh h ARG 398 Cb 0.34 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1jfh h ARG 398 CO -0.32 0.53 -0.05 -0.91 -1.51 0.00 0.00 179.97 177.72 1jfh h ASN 399 N 0.78 0.45 -0.97 -3.80 -0.26 -1.08 -2.27 115.58 108.43 1jfh h ASN 399 Ca 0.20 -0.36 0.03 0.00 -0.56 0.00 0.00 56.30 55.61 1jfh h ASN 399 Cb -0.03 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 37.05 1jfh h ASN 399 CO -0.04 0.70 0.64 0.58 -1.06 0.00 0.00 177.43 178.25 1jfh h VAL 400 N 0.19 1.20 -0.62 2.81 2.07 -0.68 -2.83 116.25 118.39 1jfh h VAL 400 Ca 0.06 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1jfh h VAL 400 Cb 0.50 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1jfh h VAL 400 CO 0.02 0.23 0.00 1.33 0.02 0.00 0.00 177.57 179.17 1jfh n VAL 401 N -4.44 0.82 -1.65 2.57 0.24 -0.73 -4.99 118.33 110.14 1jfh n VAL 401 Ca 0.12 -0.84 -0.52 0.00 -2.04 0.00 0.00 64.34 61.06 1jfh n VAL 401 Cb 0.06 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 32.85 1jfh n VAL 401 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1jfh n ASP 402 N 1.39 2.38 0.00 -1.34 2.03 -0.86 -1.05 116.55 119.09 1jfh n ASP 402 Ca 0.21 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.60 1jfh n ASP 402 Cb 0.55 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 1jfh n ASP 402 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jfh n GLY 403 N 3.45 1.48 3.79 0.27 0.00 -1.26 -5.04 105.19 107.88 1jfh n GLY 403 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1jfh n GLY 403 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jfh s GLU 404 N -0.26 4.52 0.55 1.61 0.41 -0.22 -5.04 118.70 120.26 1jfh s GLU 404 Ca 0.00 1.17 -0.19 0.00 -0.41 0.00 0.00 54.97 55.54 1jfh s GLU 404 Cb 0.00 -2.99 -0.06 0.00 -1.78 0.00 0.00 34.13 29.30 1jfh s GLU 404 CO 0.00 0.41 1.09 -1.25 -0.49 0.00 0.00 175.26 175.03 1jfh s PRO 405 N -1.71 3.41 0.05 0.39 0.04 -1.26 -4.62 135.00 131.31 1jfh s PRO 405 Ca 0.43 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 1jfh s PRO 405 Cb -0.20 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 1jfh s PRO 405 CO 0.25 -0.77 1.53 0.12 0.04 0.00 0.00 177.00 178.16 1jfh s PHE 406 N -1.98 2.69 0.22 0.56 5.36 -1.26 -1.12 117.98 122.46 1jfh s PHE 406 Ca 0.69 0.58 -0.09 0.00 -0.96 0.00 0.00 56.93 57.16 1jfh s PHE 406 Cb -0.20 -3.83 -0.02 0.00 -0.34 0.00 0.00 43.02 38.63 1jfh s PHE 406 CO 0.28 -3.19 0.35 0.00 -1.46 0.00 0.00 175.22 171.19 1jfh s ALA 407 N 2.33 0.25 -1.43 11.12 0.00 -0.43 -4.89 121.76 128.72 1jfh s ALA 407 Ca 0.69 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1jfh s ALA 407 Cb -0.37 1.16 0.01 0.00 0.00 0.00 0.00 23.12 23.92 1jfh s ALA 407 CO 0.30 -0.75 0.29 0.09 0.00 0.00 0.00 175.76 175.69 1jfh n ASN 408 N -0.33 -0.55 -4.77 0.00 4.13 -1.26 -0.38 115.26 112.09 1jfh n ASN 408 Ca -0.01 -1.17 -0.38 0.00 1.68 0.00 0.00 54.58 54.70 1jfh n ASN 408 Cb 0.63 -2.25 -0.02 0.00 -1.54 0.00 0.00 39.78 36.60 1jfh n ASN 408 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 1jfh s TRP 409 N -4.07 3.12 -0.05 3.10 -0.11 -1.26 -4.19 118.94 115.48 1jfh s TRP 409 Ca 0.09 1.57 -0.14 0.00 1.22 0.00 0.00 56.10 58.85 1jfh s TRP 409 Cb -0.05 -3.36 0.03 0.00 -1.50 0.00 0.00 33.47 28.59 1jfh s TRP 409 CO 0.95 -1.20 0.32 -0.46 -4.62 0.00 0.00 176.95 171.93 1jfh s TRP 410 N -1.43 -0.24 0.11 5.86 -0.00 0.01 -4.98 118.94 118.27 1jfh s TRP 410 Ca 0.56 0.46 -0.18 0.00 -0.00 0.00 0.00 56.10 56.94 1jfh s TRP 410 Cb -0.30 0.10 0.04 0.00 -0.00 0.00 0.00 33.47 33.32 1jfh s TRP 410 CO 0.37 -0.32 0.46 0.16 -0.00 0.00 0.00 176.95 177.62 1jfh s ASP 411 N -0.85 -0.33 -0.10 5.86 1.47 -1.26 -0.85 116.67 120.61 1jfh s ASP 411 Ca -0.09 -0.16 0.18 0.00 1.18 0.00 0.00 52.55 53.66 1jfh s ASP 411 Cb -0.04 0.50 0.69 0.00 -0.34 0.00 0.00 42.92 43.72 1jfh s ASP 411 CO 0.03 -0.84 1.60 -0.46 0.68 0.00 0.00 175.17 176.18 1jfh n ASN 412 N -0.10 4.59 0.00 2.11 6.94 -0.67 -4.91 115.26 123.22 1jfh n ASN 412 Ca -0.17 -2.41 0.00 0.00 -0.02 0.00 0.00 54.58 51.98 1jfh n ASN 412 Cb 0.63 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 1jfh n ASN 412 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jfh n GLY 413 N 1.08 0.76 0.00 4.83 0.00 -1.26 -4.87 105.19 105.72 1jfh n GLY 413 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1jfh n GLY 413 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfh n SER 414 N -0.00 0.00 -0.39 1.61 2.88 -1.26 -4.95 113.62 111.50 1jfh n SER 414 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1jfh n SER 414 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 1jfh n SER 414 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1jfh n ASN 415 N 0.00 1.62 -4.23 -3.46 3.02 -1.26 -2.35 115.26 108.60 1jfh n ASN 415 Ca 0.00 -2.95 -0.34 0.00 -0.03 0.00 0.00 54.58 51.25 1jfh n ASN 415 Cb 0.00 -0.39 -0.15 0.00 -0.61 0.00 0.00 39.78 38.63 1jfh n ASN 415 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jfh s GLN 416 N -2.13 3.08 0.11 3.52 -0.21 -1.26 -0.71 119.66 122.05 1jfh s GLN 416 Ca 0.27 -0.81 0.01 0.00 0.02 0.00 0.00 55.36 54.85 1jfh s GLN 416 Cb 0.25 -2.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.31 1jfh s GLN 416 CO -0.01 -0.28 -0.05 0.14 -2.12 0.00 0.00 175.29 172.96 1jfh s VAL 417 N 1.38 0.62 -0.06 1.09 -7.23 -0.89 -1.66 120.40 113.65 1jfh s VAL 417 Ca 0.03 -1.93 -0.24 0.00 -1.81 0.00 0.00 61.98 58.04 1jfh s VAL 417 Cb -0.15 -1.75 0.05 0.00 0.56 0.00 0.00 36.38 35.10 1jfh s VAL 417 CO -0.06 -0.81 0.53 0.00 -0.31 0.00 0.00 175.10 174.45 1jfh s ALA 418 N -3.68 -1.37 0.04 1.32 0.00 -0.03 -0.26 121.76 117.79 1jfh s ALA 418 Ca 0.14 1.00 -0.27 0.00 0.00 0.00 0.00 51.96 52.83 1jfh s ALA 418 Cb 0.06 -0.10 0.09 0.00 0.00 0.00 0.00 23.12 23.17 1jfh s ALA 418 CO -0.04 -0.32 0.74 -0.59 0.00 0.00 0.00 175.76 175.56 1jfh s PHE 419 N -1.04 -0.49 0.47 0.00 -0.71 -0.68 -0.81 117.98 114.72 1jfh s PHE 419 Ca -0.10 0.47 0.03 0.00 -1.04 0.00 0.00 56.93 56.29 1jfh s PHE 419 Cb -0.02 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.27 1jfh s PHE 419 CO 0.07 -0.66 0.01 0.20 -1.34 0.00 0.00 175.22 173.50 1jfh s GLY 420 N -2.21 2.84 -0.32 1.99 0.00 0.49 -1.26 107.32 108.84 1jfh s GLY 420 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1jfh s GLY 420 CO -0.06 -2.14 0.09 0.50 0.00 0.00 0.00 173.10 171.49 1jfh s ARG 421 N -3.82 0.85 6.27 2.90 1.81 0.03 -1.31 118.95 125.67 1jfh s ARG 421 Ca 0.16 -1.23 0.00 0.00 -1.72 0.00 0.00 55.73 52.94 1jfh s ARG 421 Cb 0.04 -2.19 0.00 0.00 -0.45 0.00 0.00 34.95 32.35 1jfh s ARG 421 CO 0.08 -0.98 0.00 0.41 -0.68 0.00 0.00 175.30 174.13 1jfh n GLY 422 N 4.72 3.12 1.03 -3.53 0.00 -0.28 -2.07 105.19 108.19 1jfh n GLY 422 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1jfh n GLY 422 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jfh n ASN 423 N 2.04 2.31 0.00 1.61 6.94 -1.26 -4.63 115.26 122.27 1jfh n ASN 423 Ca 0.00 -3.80 0.00 0.00 -0.02 0.00 0.00 54.58 50.76 1jfh n ASN 423 Cb 0.00 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 36.81 1jfh n ASN 423 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1jfh n ARG 424 N -1.12 4.84 -3.53 -3.83 1.74 -0.88 -4.57 116.66 109.31 1jfh n ARG 424 Ca 0.30 -0.12 -0.14 0.00 -0.77 0.00 0.00 57.85 57.11 1jfh n ARG 424 Cb 0.96 -0.61 -0.05 0.00 -1.02 0.00 0.00 32.46 31.73 1jfh n ARG 424 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1jfh s GLY 425 N -0.73 -0.48 -0.12 -0.13 0.00 -1.16 -1.07 107.32 103.63 1jfh s GLY 425 Ca 0.00 1.44 -0.16 0.00 0.00 0.00 0.00 44.72 46.00 1jfh s GLY 425 CO 0.00 0.86 0.42 -0.12 0.00 0.00 0.00 173.10 174.26 1jfh s PHE 426 N -1.54 -0.42 -0.01 1.90 5.36 -0.23 -0.79 117.98 122.25 1jfh s PHE 426 Ca -0.06 0.97 -0.01 0.00 -0.96 0.00 0.00 56.93 56.87 1jfh s PHE 426 Cb -0.00 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 1jfh s PHE 426 CO 0.04 -0.29 0.02 -1.50 -1.46 0.00 0.00 175.22 172.03 1jfh s ILE 427 N -0.19 0.00 -0.06 3.12 2.07 -0.39 -1.43 121.20 124.33 1jfh s ILE 427 Ca -0.04 -0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.21 1jfh s ILE 427 Cb -0.03 -0.04 0.01 0.00 0.13 0.00 0.00 42.46 42.53 1jfh s ILE 427 CO 0.02 -0.01 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.24 1jfh s VAL 428 N -0.02 1.04 0.08 4.00 1.01 0.01 -1.69 120.40 124.84 1jfh s VAL 428 Ca -0.00 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.63 1jfh s VAL 428 Cb -0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1jfh s VAL 428 CO 0.00 0.33 -0.23 -0.36 0.00 0.00 0.00 175.10 174.84 1jfh s PHE 429 N 0.62 2.41 -0.37 5.22 0.40 0.64 -1.16 117.98 125.74 1jfh s PHE 429 Ca -0.13 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 1jfh s PHE 429 Cb -0.15 -1.36 0.12 0.00 0.51 0.00 0.00 43.02 42.14 1jfh s PHE 429 CO 0.03 0.26 0.17 1.21 0.70 0.00 0.00 175.22 177.58 1jfh s ASN 430 N -1.67 3.80 -0.22 1.36 2.47 -0.20 -2.09 114.94 118.39 1jfh s ASN 430 Ca 0.14 -2.12 0.15 0.00 0.42 0.00 0.00 52.86 51.45 1jfh s ASN 430 Cb -0.10 -0.92 0.62 0.00 -1.45 0.00 0.00 41.25 39.40 1jfh s ASN 430 CO 0.05 -0.34 1.55 -3.20 -3.72 0.00 0.00 177.10 171.44 1jfh n ASN 431 N 4.21 4.32 -4.95 -4.21 5.15 0.11 -4.80 115.26 115.10 1jfh n ASN 431 Ca 0.04 -3.08 -0.23 0.00 -0.60 0.00 0.00 54.58 50.70 1jfh n ASN 431 Cb 0.38 -0.61 -0.01 0.00 -0.53 0.00 0.00 39.78 39.01 1jfh n ASN 431 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1jfh s ASP 432 N -1.62 6.26 -0.05 1.20 1.01 -1.25 -4.83 116.67 117.39 1jfh s ASP 432 Ca 0.47 0.39 0.02 0.00 0.71 0.00 0.00 52.55 54.14 1jfh s ASP 432 Cb 0.38 -1.96 0.16 0.00 1.01 0.00 0.00 42.92 42.50 1jfh s ASP 432 CO 0.10 -0.31 0.83 0.47 0.21 0.00 0.00 175.17 176.48 1jfh n ASP 433 N -1.77 2.17 -3.94 0.27 8.00 -1.26 -4.73 116.55 115.29 1jfh n ASP 433 Ca -0.05 -2.21 -0.11 0.00 0.71 0.00 0.00 54.79 53.13 1jfh n ASP 433 Cb 0.56 -0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 1jfh n ASP 433 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1jfh s TRP 434 N -1.21 0.83 0.67 1.24 -2.14 -1.26 -4.96 118.94 112.11 1jfh s TRP 434 Ca 0.11 -1.10 -0.16 0.00 2.66 0.00 0.00 56.10 57.61 1jfh s TRP 434 Cb 0.08 -0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.28 1jfh s TRP 434 CO 0.03 -0.87 1.16 -1.14 -2.66 0.00 0.00 176.95 173.47 1jfh s GLN 435 N -3.91 2.62 -0.13 3.25 0.74 -1.26 -4.21 119.66 116.74 1jfh s GLN 435 Ca 0.31 1.62 0.00 0.00 0.05 0.00 0.00 55.36 57.35 1jfh s GLN 435 Cb 0.02 -1.91 -0.01 0.00 1.10 0.00 0.00 33.01 32.22 1jfh s GLN 435 CO 0.13 -1.44 -0.15 -1.17 -0.55 0.00 0.00 175.29 172.11 1jfh s LEU 436 N -4.75 2.57 -0.29 3.68 0.20 -0.25 -4.99 118.68 114.85 1jfh s LEU 436 Ca 0.72 -0.40 0.02 0.00 0.69 0.00 0.00 54.13 55.16 1jfh s LEU 436 Cb -0.26 -1.57 0.16 0.00 -0.43 0.00 0.00 46.19 44.09 1jfh s LEU 436 CO 0.40 0.14 0.40 -0.55 -0.29 0.00 0.00 176.35 176.45 1jfh s SER 437 N 0.50 0.54 0.09 3.68 0.15 -1.25 -1.48 113.70 115.92 1jfh s SER 437 Ca -0.10 -0.47 -0.09 0.00 0.70 0.00 0.00 55.95 55.99 1jfh s SER 437 Cb -0.16 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1jfh s SER 437 CO 0.04 -0.35 0.21 -0.44 1.20 0.00 0.00 173.24 173.90 1jfh s SER 438 N 2.49 0.08 -0.49 5.45 0.01 -1.00 -5.00 113.70 115.24 1jfh s SER 438 Ca 0.10 -0.60 -0.07 0.00 1.31 0.00 0.00 55.95 56.68 1jfh s SER 438 Cb -0.13 0.35 0.13 0.00 0.21 0.00 0.00 66.02 66.58 1jfh s SER 438 CO -0.30 -0.73 0.34 -0.89 0.41 0.00 0.00 173.24 172.07 1jfh s THR 439 N -3.79 4.03 0.07 1.44 2.01 -1.26 -0.99 115.64 117.14 1jfh s THR 439 Ca 0.04 -1.99 -0.01 0.00 0.31 0.00 0.00 61.69 60.05 1jfh s THR 439 Cb 0.04 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1jfh s THR 439 CO -0.11 -0.78 0.24 -0.76 -0.69 0.00 0.00 174.62 172.52 1jfh s LEU 440 N 1.13 4.35 -0.29 4.42 2.01 -0.55 -4.81 118.68 124.94 1jfh s LEU 440 Ca 0.08 0.33 -0.27 0.00 0.01 0.00 0.00 54.13 54.28 1jfh s LEU 440 Cb -0.24 -2.99 0.01 0.00 0.01 0.00 0.00 46.19 42.98 1jfh s LEU 440 CO -0.02 0.16 0.98 -1.58 1.01 0.00 0.00 176.35 176.90 1jfh s GLN 441 N -2.47 4.09 0.05 1.70 2.00 -1.26 -1.34 119.66 122.43 1jfh s GLN 441 Ca 0.35 1.01 0.16 0.00 -2.00 0.00 0.00 55.36 54.88 1jfh s GLN 441 Cb -0.13 -3.71 -0.15 0.00 0.80 0.00 0.00 33.01 29.82 1jfh s GLN 441 CO 0.27 -0.76 0.82 1.79 -0.50 0.00 0.00 175.29 176.90 1jfh h THR 442 N 5.61 0.61 0.00 -0.34 1.35 -1.52 -3.47 112.91 115.15 1jfh h THR 442 Ca -0.21 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 1jfh h THR 442 Cb 1.07 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1jfh h THR 442 CO 0.97 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 177.20 1jfh n GLY 443 N 1.42 0.77 3.94 5.82 0.00 -1.25 -4.76 105.19 111.13 1jfh n GLY 443 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1jfh n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jfh s LEU 444 N 0.00 4.27 0.68 0.99 1.02 -1.26 -4.33 118.68 120.05 1jfh s LEU 444 Ca 0.00 0.26 -0.16 0.00 0.02 0.00 0.00 54.13 54.25 1jfh s LEU 444 Cb 0.00 -3.03 0.01 0.00 0.02 0.00 0.00 46.19 43.19 1jfh s LEU 444 CO 0.00 -0.04 1.18 -2.84 0.02 0.00 0.00 176.35 174.68 1jfh s PRO 445 N -3.51 2.51 0.46 1.29 0.02 -1.26 -4.44 135.00 130.07 1jfh s PRO 445 Ca 0.36 1.69 -0.24 0.00 0.02 0.00 0.00 61.00 62.83 1jfh s PRO 445 Cb -0.10 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 1jfh s PRO 445 CO 0.29 -1.53 1.28 0.20 -0.33 0.00 0.00 177.00 176.91 1jfh s GLY 446 N -2.05 2.87 0.00 0.52 0.00 -1.26 -4.86 107.32 102.54 1jfh s GLY 446 Ca 0.73 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.64 1jfh s GLY 446 CO 0.41 1.72 0.00 0.61 0.00 0.00 0.00 173.10 175.84 1jfh n GLY 447 N 0.62 -0.74 3.56 0.20 0.00 -0.09 -4.98 105.19 103.76 1jfh n GLY 447 Ca 0.06 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 1jfh n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jfh s THR 448 N -1.92 4.77 0.10 2.61 2.01 -1.26 -0.50 115.64 121.44 1jfh s THR 448 Ca 0.00 -0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1jfh s THR 448 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1jfh s THR 448 CO 0.00 0.37 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.89 1jfh s TYR 449 N 1.09 2.73 -0.06 4.92 1.51 0.16 -0.54 117.35 127.16 1jfh s TYR 449 Ca 0.05 -0.16 -0.18 0.00 -1.01 0.00 0.00 57.07 55.78 1jfh s TYR 449 Cb -0.14 -1.44 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 1jfh s TYR 449 CO 0.04 0.42 0.48 0.00 -1.11 0.00 0.00 175.55 175.37 1jfh s ASP 451 N 0.02 6.96 0.00 0.00 2.15 -0.20 -4.62 116.67 120.97 1jfh s ASP 451 Ca 0.26 1.82 0.24 0.00 0.43 0.00 0.00 52.55 55.30 1jfh s ASP 451 Cb -0.16 -2.55 1.10 0.00 -0.30 0.00 0.00 42.92 41.01 1jfh s ASP 451 CO 0.12 -0.69 1.74 1.33 -0.17 0.00 0.00 175.17 177.51 1jfh n VAL 452 N 4.97 0.07 -0.07 1.11 0.24 -0.24 -2.55 118.33 121.86 1jfh n VAL 452 Ca 0.13 -0.18 -0.22 0.00 -2.04 0.00 0.00 64.34 62.03 1jfh n VAL 452 Cb 0.45 0.09 -0.12 0.00 -1.47 0.00 0.00 33.84 32.79 1jfh n VAL 452 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1jfh n ILE 453 N -0.21 1.62 0.16 1.34 2.08 -1.26 -4.33 119.36 118.76 1jfh n ILE 453 Ca 0.17 -0.27 0.11 0.00 0.56 0.00 0.00 62.75 63.33 1jfh n ILE 453 Cb 0.23 -1.92 0.08 0.00 -0.75 0.00 0.00 39.64 37.28 1jfh n ILE 453 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1jfh h SER 454 N -0.61 0.00 0.00 4.38 4.64 -1.87 -3.40 113.55 116.69 1jfh h SER 454 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1jfh h SER 454 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1jfh h SER 454 CO -0.11 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.49 1jfh n GLY 455 N 1.15 3.26 3.10 -0.77 0.00 -1.06 -4.50 105.19 106.38 1jfh n GLY 455 Ca 0.02 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 1jfh n GLY 455 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jfh s ASP 456 N 1.97 0.39 -0.26 1.61 1.01 -1.26 -4.24 116.67 115.90 1jfh s ASP 456 Ca 0.00 -0.88 -0.19 0.00 0.71 0.00 0.00 52.55 52.18 1jfh s ASP 456 Cb 0.00 0.22 -0.02 0.00 1.01 0.00 0.00 42.92 44.13 1jfh s ASP 456 CO 0.00 -0.60 0.59 -0.75 0.21 0.00 0.00 175.17 174.62 1jfh s LYS 457 N -3.68 4.07 -0.27 8.23 2.20 -1.26 -1.45 119.74 127.58 1jfh s LYS 457 Ca 0.04 0.44 0.02 0.00 -0.36 0.00 0.00 55.97 56.11 1jfh s LYS 457 Cb 0.06 -3.66 0.07 0.00 -1.51 0.00 0.00 37.83 32.79 1jfh s LYS 457 CO -0.09 -0.41 -0.04 0.08 -0.36 0.00 0.00 175.35 174.53 1jfh s VAL 458 N 2.45 1.83 0.00 4.02 1.01 0.07 -5.01 120.40 124.77 1jfh s VAL 458 Ca 0.24 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1jfh s VAL 458 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1jfh s VAL 458 CO 0.09 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1jfh n GLY 459 N 4.52 2.90 1.83 4.51 0.00 -1.26 -2.28 105.19 115.41 1jfh n GLY 459 Ca -0.09 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 1jfh n GLY 459 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jfh n ASN 460 N 7.15 3.67 -4.01 1.61 6.94 -1.26 -4.97 115.26 124.39 1jfh n ASN 460 Ca 0.00 -3.71 -0.10 0.00 -0.02 0.00 0.00 54.58 50.76 1jfh n ASN 460 Cb 0.00 -0.76 -0.07 0.00 -2.36 0.00 0.00 39.78 36.60 1jfh n ASN 460 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1jfh s SER 461 N -1.91 -0.01 0.02 0.53 1.04 -0.97 -5.03 113.70 107.38 1jfh s SER 461 Ca 0.53 -0.96 0.06 0.00 0.48 0.00 0.00 55.95 56.05 1jfh s SER 461 Cb 0.45 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 67.04 1jfh s SER 461 CO 0.05 -1.00 -0.14 0.00 0.98 0.00 0.00 173.24 173.13 1jfh n THR 463 N 1.58 0.02 -0.48 0.00 -2.24 -0.53 -4.93 114.28 107.70 1jfh n THR 463 Ca -0.16 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1jfh n THR 463 Cb 0.52 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1jfh n THR 463 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jfh n GLY 464 N 1.49 5.32 3.77 3.38 0.00 -1.26 -4.82 105.19 113.07 1jfh n GLY 464 Ca 0.05 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1jfh n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jfh s ILE 465 N 2.96 2.98 -0.12 -0.61 1.01 -1.26 -4.90 121.20 121.26 1jfh s ILE 465 Ca 0.00 0.97 -0.02 0.00 0.00 0.00 0.00 60.65 61.60 1jfh s ILE 465 Cb 0.00 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1jfh s ILE 465 CO 0.00 0.22 -0.05 -0.54 0.00 0.00 0.00 174.94 174.56 1jfh s LYS 466 N -1.75 3.31 -0.13 2.79 1.02 -1.26 -1.04 119.74 122.68 1jfh s LYS 466 Ca 0.49 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 55.95 1jfh s LYS 466 Cb -0.37 -2.78 -0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1jfh s LYS 466 CO 0.48 0.40 -0.17 0.08 -0.92 0.00 0.00 175.35 175.22 1jfh s VAL 467 N -0.09 2.57 -0.26 3.17 1.01 -0.11 -4.96 120.40 121.73 1jfh s VAL 467 Ca 0.01 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1jfh s VAL 467 Cb -0.13 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1jfh s VAL 467 CO 0.03 0.53 0.15 -0.47 0.00 0.00 0.00 175.10 175.34 1jfh s TYR 468 N 0.55 3.21 -0.32 5.22 5.04 -1.26 -0.66 117.35 129.12 1jfh s TYR 468 Ca -0.11 0.01 -0.11 0.00 -2.44 0.00 0.00 57.07 54.42 1jfh s TYR 468 Cb -0.16 -2.31 -0.02 0.00 0.35 0.00 0.00 41.96 39.82 1jfh s TYR 468 CO 0.04 -0.15 0.20 0.08 -1.34 0.00 0.00 175.55 174.38 1jfh s VAL 469 N 1.52 5.02 1.04 3.14 1.01 0.34 -4.41 120.40 128.06 1jfh s VAL 469 Ca 0.07 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1jfh s VAL 469 Cb -0.15 -3.54 0.21 0.00 0.00 0.00 0.00 36.38 32.90 1jfh s VAL 469 CO 0.08 0.06 1.08 -0.94 0.00 0.00 0.00 175.10 175.37 1jfh s SER 470 N 1.69 2.20 0.59 3.32 1.04 -0.36 -0.92 113.70 121.26 1jfh s SER 470 Ca 0.06 1.30 0.29 0.00 0.48 0.00 0.00 55.95 58.07 1jfh s SER 470 Cb -0.17 -1.99 1.58 0.00 0.10 0.00 0.00 66.02 65.54 1jfh s SER 470 CO 0.09 -3.41 2.01 0.77 0.98 0.00 0.00 173.24 173.68 1jfh h SER 471 N -2.08 0.00 0.49 7.02 4.64 -1.94 -1.25 113.55 120.43 1jfh h SER 471 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1jfh h SER 471 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1jfh h SER 471 CO 0.55 0.00 -0.40 -0.90 -0.87 0.00 0.00 176.83 175.22 1jfh n ASP 472 N -3.72 0.54 0.00 4.97 5.75 -1.26 -4.64 116.55 118.19 1jfh n ASP 472 Ca 0.04 -0.30 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 1jfh n ASP 472 Cb 0.47 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1jfh n ASP 472 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jfh n GLY 473 N 1.46 0.84 3.86 6.12 0.00 -0.47 -4.93 105.19 112.07 1jfh n GLY 473 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1jfh n GLY 473 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jfh s THR 474 N -2.05 4.70 -0.11 2.61 -4.23 -1.26 -1.21 115.64 114.09 1jfh s THR 474 Ca 0.00 0.85 -0.14 0.00 -1.18 0.00 0.00 61.69 61.22 1jfh s THR 474 Cb 0.00 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.19 1jfh s THR 474 CO 0.00 -0.42 0.36 0.00 -0.54 0.00 0.00 174.62 174.02 1jfh s ALA 475 N -2.27 -0.91 -0.13 3.99 0.00 -0.45 -1.23 121.76 120.77 1jfh s ALA 475 Ca 0.54 0.90 -0.22 0.00 0.00 0.00 0.00 51.96 53.18 1jfh s ALA 475 Cb -0.10 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1jfh s ALA 475 CO 0.26 -0.20 0.67 -1.14 0.00 0.00 0.00 175.76 175.35 1jfh s GLN 476 N -0.14 4.33 -0.07 0.00 2.00 -1.26 -1.48 119.66 123.03 1jfh s GLN 476 Ca -0.03 0.76 0.04 0.00 -2.00 0.00 0.00 55.36 54.13 1jfh s GLN 476 Cb -0.03 -3.51 -0.02 0.00 0.80 0.00 0.00 33.01 30.25 1jfh s GLN 476 CO 0.01 -0.09 -0.20 -0.06 -0.50 0.00 0.00 175.29 174.46 1jfh s PHE 477 N 1.36 2.58 -0.20 1.67 0.08 -0.16 -4.86 117.98 118.44 1jfh s PHE 477 Ca 0.33 -0.55 -0.02 0.00 0.12 0.00 0.00 56.93 56.81 1jfh s PHE 477 Cb -0.17 -1.65 0.06 0.00 -0.57 0.00 0.00 43.02 40.69 1jfh s PHE 477 CO 0.14 -0.10 0.03 -1.12 -0.10 0.00 0.00 175.22 174.06 1jfh s SER 478 N -0.23 3.03 -0.13 1.36 0.01 -1.26 -2.36 113.70 114.11 1jfh s SER 478 Ca -0.01 -0.88 -0.00 0.00 1.31 0.00 0.00 55.95 56.38 1jfh s SER 478 Cb -0.13 -0.65 0.02 0.00 0.21 0.00 0.00 66.02 65.47 1jfh s SER 478 CO 0.03 -0.30 -0.11 -0.63 0.41 0.00 0.00 173.24 172.64 1jfh s ILE 479 N 1.81 1.27 0.35 1.44 1.01 -0.55 -5.00 121.20 121.53 1jfh s ILE 479 Ca -0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 1jfh s ILE 479 Cb -0.17 -1.23 -0.10 0.00 0.01 0.00 0.00 42.46 40.96 1jfh s ILE 479 CO -0.08 0.41 0.92 -0.55 0.00 0.00 0.00 174.94 175.63 1jfh s SER 480 N 1.58 7.16 0.36 3.58 0.15 -1.26 -1.09 113.70 124.19 1jfh s SER 480 Ca 0.04 1.73 0.27 0.00 0.70 0.00 0.00 55.95 58.69 1jfh s SER 480 Cb -0.13 -2.54 1.11 0.00 -1.71 0.00 0.00 66.02 62.75 1jfh s SER 480 CO -0.09 -0.16 1.81 -0.55 1.20 0.00 0.00 173.24 175.45 1jfh h ASN 481 N 2.74 0.00 -0.33 5.45 -1.07 -1.85 -2.52 115.58 118.00 1jfh h ASN 481 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.89 1jfh h ASN 481 Cb 1.19 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 1jfh h ASN 481 CO 0.64 0.00 0.00 -1.54 0.07 0.00 0.00 177.43 176.60 1jfh n SER 482 N -2.55 2.95 -4.77 6.14 3.41 -1.26 -4.96 113.62 112.58 1jfh n SER 482 Ca 0.02 -1.92 -0.40 0.00 -0.26 0.00 0.00 58.87 56.31 1jfh n SER 482 Cb 0.27 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 1jfh n SER 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jfh s ALA 483 N -1.58 3.36 0.21 7.33 0.00 -0.95 -4.92 121.76 125.21 1jfh s ALA 483 Ca 0.37 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 1jfh s ALA 483 Cb 0.21 -3.49 0.29 0.00 0.00 0.00 0.00 23.12 20.13 1jfh s ALA 483 CO 0.30 -0.77 1.65 1.05 0.00 0.00 0.00 175.76 178.00 1jfh h GLU 484 N 2.95 0.09 -3.98 0.00 9.09 -1.93 -3.32 114.58 117.49 1jfh h GLU 484 Ca -0.49 -0.01 -0.60 0.00 0.05 0.00 0.00 59.36 58.31 1jfh h GLU 484 Cb 1.24 -0.02 -0.40 0.00 -1.65 0.00 0.00 28.75 27.92 1jfh h GLU 484 CO 0.64 0.06 -0.76 -0.51 0.05 0.00 0.00 179.01 178.49 1jfh s ASP 485 N -5.23 4.05 0.00 3.06 1.01 -1.26 -4.91 116.67 113.38 1jfh s ASP 485 Ca -0.14 -1.57 -0.00 0.00 0.71 0.00 0.00 52.55 51.55 1jfh s ASP 485 Cb 0.19 -1.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.03 1jfh s ASP 485 CO 0.74 -0.36 1.70 -0.81 0.21 0.00 0.00 175.17 176.65 1jfh n PRO 486 N 4.70 0.86 -3.65 8.23 -0.04 -1.25 -4.80 135.00 139.05 1jfh n PRO 486 Ca -0.04 -0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.21 1jfh n PRO 486 Cb 0.43 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.65 1jfh n PRO 486 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1jfh s PHE 487 N 0.48 -0.48 0.01 0.54 -0.71 -1.26 -1.04 117.98 115.52 1jfh s PHE 487 Ca 0.04 0.94 0.07 0.00 -1.04 0.00 0.00 56.93 56.94 1jfh s PHE 487 Cb 0.02 0.25 -0.02 0.00 -1.21 0.00 0.00 43.02 42.05 1jfh s PHE 487 CO 0.00 -0.44 -0.22 0.42 -1.34 0.00 0.00 175.22 173.64 1jfh s ILE 488 N -0.79 1.77 -0.02 -4.49 1.01 -0.31 -4.80 121.20 113.57 1jfh s ILE 488 Ca -0.09 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1jfh s ILE 488 Cb -0.03 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 40.98 1jfh s ILE 488 CO 0.05 0.40 0.02 0.00 0.00 0.00 0.00 174.94 175.41 1jfh s ALA 489 N -0.63 0.15 0.04 9.38 0.00 -1.26 -0.81 121.76 128.63 1jfh s ALA 489 Ca 0.09 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1jfh s ALA 489 Cb -0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1jfh s ALA 489 CO 0.00 -0.10 -0.11 0.96 0.00 0.00 0.00 175.76 176.52 1jfh s ILE 490 N 1.06 0.81 0.23 0.00 -4.36 -0.51 -1.08 121.20 117.35 1jfh s ILE 490 Ca -0.09 -0.94 -0.08 0.00 -0.26 0.00 0.00 60.65 59.28 1jfh s ILE 490 Cb -0.13 -0.78 -0.02 0.00 1.25 0.00 0.00 42.46 42.78 1jfh s ILE 490 CO -0.03 -0.13 0.33 -1.38 0.24 0.00 0.00 174.94 173.97 1jfh s HIS 491 N -0.96 0.71 0.45 1.37 -3.43 -1.26 -1.07 115.29 111.10 1jfh s HIS 491 Ca -0.03 -1.01 0.26 0.00 -0.80 0.00 0.00 55.06 53.48 1jfh s HIS 491 Cb -0.08 -0.14 1.29 0.00 -1.43 0.00 0.00 32.58 32.22 1jfh s HIS 491 CO 0.01 -0.84 1.76 0.00 -2.00 0.00 0.00 174.74 173.67 1jfh h ALA 492 N 2.41 2.58 -0.12 -1.38 0.00 -1.43 0.10 119.26 121.42 1jfh h ALA 492 Ca -0.30 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1jfh h ALA 492 Cb 1.25 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1jfh h ALA 492 CO 0.43 -0.99 0.00 0.39 0.00 0.00 0.00 179.25 179.08 1jfh n GLU 493 N -4.49 1.75 -0.17 0.00 1.02 -1.26 -3.61 120.64 113.88 1jfh n GLU 493 Ca 0.27 -1.12 0.06 0.00 -0.02 0.00 0.00 57.16 56.35 1jfh n GLU 493 Cb 1.07 -1.43 0.16 0.00 -0.02 0.00 0.00 31.44 31.21 1jfh n GLU 493 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1jfh n SER 494 N 0.34 2.91 -4.72 1.62 3.41 0.02 -4.98 113.62 112.22 1jfh n SER 494 Ca 0.17 -1.93 -0.41 0.00 -0.26 0.00 0.00 58.87 56.44 1jfh n SER 494 Cb 0.35 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 1jfh n SER 494 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1jfh s LYS 495 N -1.01 4.63 0.00 4.33 2.20 -1.21 -0.19 119.74 128.50 1jfh s LYS 495 Ca 0.25 1.40 0.21 0.00 -0.36 0.00 0.00 55.97 57.46 1jfh s LYS 495 Cb 0.13 -3.40 1.23 0.00 -1.51 0.00 0.00 37.83 34.28 1jfh s LYS 495 CO 0.18 0.13 1.62 1.28 -0.36 0.00 0.00 175.35 178.19