#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr6 h ALA 2 N 0.00 0.33 -3.08 0.00 0.00 -2.03 -3.40 119.26 111.08 1fr6 h ALA 2 Ca 0.00 -0.41 -0.61 0.00 0.00 0.00 0.00 54.91 53.89 1fr6 h ALA 2 Cb 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.60 1fr6 h ALA 2 CO 0.00 0.36 -0.43 0.15 0.00 0.00 0.00 179.25 179.33 1fr6 s LYS 3 N -4.17 4.13 0.57 0.00 -0.14 -1.26 -5.08 119.74 113.78 1fr6 s LYS 3 Ca -0.13 -0.15 -0.06 0.00 -1.36 0.00 0.00 55.97 54.27 1fr6 s LYS 3 Cb 0.07 -3.51 -0.01 0.00 -1.68 0.00 0.00 37.83 32.71 1fr6 s LYS 3 CO 0.81 0.10 0.89 0.95 -0.76 0.00 0.00 175.35 177.34 1fr6 s THR 4 N 0.93 4.02 0.30 2.17 -4.23 -1.26 -4.93 115.64 112.65 1fr6 s THR 4 Ca 0.10 0.12 0.06 0.00 -1.18 0.00 0.00 61.69 60.80 1fr6 s THR 4 Cb -0.13 -3.58 0.31 0.00 1.34 0.00 0.00 72.50 70.43 1fr6 s THR 4 CO 0.04 -0.61 1.68 -0.08 -0.54 0.00 0.00 174.62 175.11 1fr6 h GLU 5 N -0.11 0.33 0.00 3.99 4.81 -1.98 0.47 114.58 122.09 1fr6 h GLU 5 Ca -0.46 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 1fr6 h GLU 5 Cb 1.24 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1fr6 h GLU 5 CO 0.61 0.22 -0.24 0.37 -0.73 0.00 0.00 179.01 179.24 1fr6 h GLN 6 N 0.34 0.00 0.00 1.92 4.15 -1.99 -2.35 115.11 117.17 1fr6 h GLN 6 Ca 0.60 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 60.00 1fr6 h GLN 6 Cb 1.22 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 1fr6 h GLN 6 CO -0.58 0.24 -0.56 1.96 -1.93 0.00 0.00 178.83 177.96 1fr6 h GLN 7 N 0.00 0.00 0.10 1.69 4.20 -1.27 -2.31 115.11 117.52 1fr6 h GLN 7 Ca -0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 1fr6 h GLN 7 Cb 0.64 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1fr6 h GLN 7 CO 0.03 0.05 -1.17 0.82 -0.67 0.00 0.00 178.83 177.89 1fr6 h ILE 8 N 0.00 1.52 0.40 2.54 2.04 -1.32 -2.31 117.51 120.39 1fr6 h ILE 8 Ca -0.01 -3.04 -0.02 0.00 1.00 0.00 0.00 64.86 62.79 1fr6 h ILE 8 Cb 1.07 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 40.02 1fr6 h ILE 8 CO 0.01 0.89 -0.19 0.00 0.00 0.00 0.00 178.15 178.85 1fr6 h ALA 9 N 0.66 -0.54 -0.20 1.87 0.00 -1.46 -0.32 119.26 119.27 1fr6 h ALA 9 Ca -0.11 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1fr6 h ALA 9 Cb 1.89 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.83 1fr6 h ALA 9 CO 0.19 -0.63 -0.22 -0.44 0.00 0.00 0.00 179.25 178.15 1fr6 h ASP 10 N -0.90 -0.70 -0.66 0.00 5.19 -1.49 0.59 116.42 118.45 1fr6 h ASP 10 Ca -0.06 0.13 0.05 0.00 -0.62 0.00 0.00 57.03 56.53 1fr6 h ASP 10 Cb 0.55 0.33 -0.05 0.00 0.18 0.00 0.00 39.33 40.34 1fr6 h ASP 10 CO 0.09 -0.26 0.37 0.40 -3.12 0.00 0.00 179.24 176.72 1fr6 h ILE 11 N -0.24 0.98 -0.03 0.35 2.04 -1.42 -1.76 117.51 117.42 1fr6 h ILE 11 Ca 0.12 -0.24 -0.16 0.00 1.00 0.00 0.00 64.86 65.58 1fr6 h ILE 11 Cb 0.43 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1fr6 h ILE 11 CO -0.35 0.13 -0.71 0.58 0.00 0.00 0.00 178.15 177.80 1fr6 h VAL 12 N 0.69 1.44 -0.19 1.67 2.07 -0.40 -3.24 116.25 118.28 1fr6 h VAL 12 Ca 0.29 -2.26 -0.15 0.00 0.82 0.00 0.00 66.70 65.40 1fr6 h VAL 12 Cb 0.16 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1fr6 h VAL 12 CO -0.17 0.66 -0.46 0.78 0.02 0.00 0.00 177.57 178.40 1fr6 h ASN 13 N 0.13 0.74 0.43 0.57 2.35 0.45 -2.48 115.58 117.76 1fr6 h ASN 13 Ca -0.02 -0.57 -0.02 0.00 -0.55 0.00 0.00 56.30 55.14 1fr6 h ASN 13 Cb 1.26 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 1fr6 h ASN 13 CO 0.11 1.17 -0.08 0.03 -1.65 0.00 0.00 177.43 177.01 1fr6 h ARG 14 N 0.33 0.00 0.00 0.81 3.08 -1.41 -1.34 114.38 115.86 1fr6 h ARG 14 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1fr6 h ARG 14 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1fr6 h ARG 14 CO 0.10 0.08 -0.99 1.15 -1.07 0.00 0.00 179.97 179.24 1fr6 h THR 15 N 0.00 0.68 0.28 2.04 2.02 -1.58 -3.39 112.91 112.96 1fr6 h THR 15 Ca -0.00 -1.85 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 1fr6 h THR 15 Cb 0.32 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1fr6 h THR 15 CO 0.01 0.23 -0.14 0.40 0.37 0.00 0.00 175.52 176.40 1fr6 h ILE 16 N -1.00 0.75 -0.04 3.11 1.08 -1.43 -2.94 117.51 117.04 1fr6 h ILE 16 Ca -0.24 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 1fr6 h ILE 16 Cb 1.06 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.65 1fr6 h ILE 16 CO -0.14 0.04 -0.03 0.74 -0.69 0.00 0.00 178.15 178.07 1fr6 h THR 17 N -0.47 0.00 -0.70 -0.27 2.02 -1.49 0.26 112.91 112.26 1fr6 h THR 17 Ca -0.04 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.27 1fr6 h THR 17 Cb 0.35 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.63 1fr6 h THR 17 CO 0.06 0.00 -0.26 -0.65 0.37 0.00 0.00 175.52 175.04 1fr6 h PRO 18 N -0.01 -0.06 -0.40 6.66 0.11 -1.76 -1.40 132.00 135.14 1fr6 h PRO 18 Ca 0.01 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.16 1fr6 h PRO 18 Cb 0.02 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.11 1fr6 h PRO 18 CO -0.04 -0.04 0.16 1.25 -0.21 0.00 0.00 178.00 179.11 1fr6 h LEU 19 N -0.07 0.19 0.30 2.35 5.85 -1.08 -2.18 115.31 120.67 1fr6 h LEU 19 Ca 0.31 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1fr6 h LEU 19 Cb 0.55 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1fr6 h LEU 19 CO -0.75 0.14 -0.15 0.24 -0.34 0.00 0.00 178.44 177.59 1fr6 h MET 20 N 0.33 -0.39 -0.21 1.25 2.86 0.56 -1.11 114.93 118.21 1fr6 h MET 20 Ca 0.18 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1fr6 h MET 20 Cb 0.14 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1fr6 h MET 20 CO -0.17 -0.26 -0.13 0.37 1.06 0.00 0.00 176.91 177.78 1fr6 h GLN 21 N -0.41 -0.00 -0.67 1.72 4.15 -1.31 1.42 115.11 120.01 1fr6 h GLN 21 Ca -0.04 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.51 1fr6 h GLN 21 Cb 0.32 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.91 1fr6 h GLN 21 CO 0.07 -0.00 0.18 1.49 -1.93 0.00 0.00 178.83 178.64 1fr6 h GLU 22 N -0.00 0.30 -0.00 1.69 4.57 -1.33 -1.61 114.58 118.20 1fr6 h GLU 22 Ca 0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1fr6 h GLU 22 Cb 0.09 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1fr6 h GLU 22 CO -0.20 0.20 -0.62 1.04 -1.18 0.00 0.00 179.01 178.25 1fr6 n GLN 23 N -5.10 0.13 -3.22 1.92 1.13 -0.43 -4.99 117.38 106.82 1fr6 n GLN 23 Ca 0.11 -0.09 -0.15 0.00 -1.94 0.00 0.00 57.00 54.94 1fr6 n GLN 23 Cb 0.37 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.30 1fr6 n GLN 23 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fr6 n ALA 24 N -1.35 -1.75 -2.57 -1.58 0.00 0.47 -4.98 120.51 108.74 1fr6 n ALA 24 Ca 0.06 -0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 1fr6 n ALA 24 Cb 0.34 -2.23 -0.11 0.00 0.00 0.00 0.00 19.45 17.46 1fr6 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fr6 s ILE 25 N -3.31 5.28 0.11 0.00 1.01 -0.22 -4.97 121.20 119.09 1fr6 s ILE 25 Ca 0.01 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.46 1fr6 s ILE 25 Cb -0.00 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 1fr6 s ILE 25 CO 0.63 0.12 1.65 -0.65 0.00 0.00 0.00 174.94 176.69 1fr6 h PRO 26 N 8.40 -0.39 -4.10 2.79 0.11 -1.85 -3.45 132.00 133.51 1fr6 h PRO 26 Ca -0.33 0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.55 1fr6 h PRO 26 Cb 1.17 0.09 -0.26 0.00 0.11 0.00 0.00 31.00 32.11 1fr6 h PRO 26 CO 0.60 -0.26 -0.73 0.20 -0.21 0.00 0.00 178.00 177.60 1fr6 s GLY 27 N -2.40 0.21 0.03 -0.55 0.00 -0.84 -1.48 107.32 102.29 1fr6 s GLY 27 Ca -0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 44.72 44.25 1fr6 s GLY 27 CO 0.65 -0.31 0.01 -0.29 0.00 0.00 0.00 173.10 173.17 1fr6 s MET 28 N -0.54 0.43 -0.18 2.90 0.00 0.27 -1.69 119.30 120.48 1fr6 s MET 28 Ca -0.04 -0.73 -0.05 0.00 0.00 0.00 0.00 55.69 54.87 1fr6 s MET 28 Cb -0.04 0.16 0.09 0.00 0.00 0.00 0.00 34.83 35.04 1fr6 s MET 28 CO -0.00 -0.08 0.36 0.00 0.00 0.00 0.00 175.02 175.29 1fr6 s ALA 29 N -2.13 -0.92 -0.07 4.11 0.00 0.16 -0.82 121.76 122.08 1fr6 s ALA 29 Ca -0.09 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.09 1fr6 s ALA 29 Cb -0.05 -1.28 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 1fr6 s ALA 29 CO -0.03 -0.82 -0.21 0.08 0.00 0.00 0.00 175.76 174.78 1fr6 s VAL 30 N 2.53 1.80 -0.11 0.00 1.01 0.29 0.57 120.40 126.48 1fr6 s VAL 30 Ca 0.02 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1fr6 s VAL 30 Cb -0.13 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1fr6 s VAL 30 CO -0.12 0.50 -0.11 0.00 0.00 0.00 0.00 175.10 175.37 1fr6 s ALA 31 N 0.21 1.52 -0.05 5.51 0.00 0.11 0.45 121.76 129.50 1fr6 s ALA 31 Ca -0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1fr6 s ALA 31 Cb -0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1fr6 s ALA 31 CO 0.06 -0.26 0.13 0.42 0.00 0.00 0.00 175.76 176.10 1fr6 s ILE 32 N 1.36 5.22 -0.20 0.00 -1.09 -0.36 0.46 121.20 126.59 1fr6 s ILE 32 Ca -0.00 -0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.34 1fr6 s ILE 32 Cb -0.14 -3.35 0.03 0.00 -1.58 0.00 0.00 42.46 37.42 1fr6 s ILE 32 CO -0.06 0.46 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.31 1fr6 s ILE 33 N -1.15 2.20 -0.22 2.92 1.01 0.21 -0.83 121.20 125.34 1fr6 s ILE 33 Ca 0.21 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1fr6 s ILE 33 Cb -0.12 -2.00 0.06 0.00 0.01 0.00 0.00 42.46 40.40 1fr6 s ILE 33 CO 0.11 0.42 -0.01 -0.47 0.00 0.00 0.00 174.94 174.98 1fr6 s TYR 34 N 1.27 1.79 -1.44 3.97 5.04 0.61 -3.10 117.35 125.49 1fr6 s TYR 34 Ca 0.02 -1.37 -0.11 0.00 -2.44 0.00 0.00 57.07 53.18 1fr6 s TYR 34 Cb -0.14 -1.34 0.04 0.00 0.35 0.00 0.00 41.96 40.86 1fr6 s TYR 34 CO -0.11 -0.70 1.07 1.04 -1.34 0.00 0.00 175.55 175.51 1fr6 n GLN 35 N 4.84 -6.85 0.00 4.97 6.02 -1.09 -2.02 117.38 123.25 1fr6 n GLN 35 Ca -0.10 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.63 1fr6 n GLN 35 Cb 0.45 -5.73 0.00 0.00 1.02 0.00 0.00 30.24 25.99 1fr6 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fr6 n GLY 36 N -1.86 3.13 3.62 1.08 0.00 -1.23 -5.03 105.19 104.91 1fr6 n GLY 36 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1fr6 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr6 s LYS 37 N -0.37 4.03 0.07 1.61 1.02 -0.86 -5.07 119.74 120.16 1fr6 s LYS 37 Ca 0.00 0.75 -0.15 0.00 0.02 0.00 0.00 55.97 56.59 1fr6 s LYS 37 Cb 0.00 -3.71 -0.06 0.00 -0.52 0.00 0.00 37.83 33.54 1fr6 s LYS 37 CO 0.00 -0.68 0.48 -1.25 -0.92 0.00 0.00 175.35 172.98 1fr6 s PRO 38 N 3.05 3.98 -0.06 -1.68 0.04 -1.26 -0.29 135.00 138.78 1fr6 s PRO 38 Ca 0.35 0.48 0.03 0.00 0.04 0.00 0.00 61.00 61.91 1fr6 s PRO 38 Cb -0.14 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.28 1fr6 s PRO 38 CO 0.12 0.61 -0.16 0.71 0.04 0.00 0.00 177.00 178.32 1fr6 s TYR 39 N -1.22 1.70 -0.07 0.56 2.02 -0.01 -4.99 117.35 115.34 1fr6 s TYR 39 Ca 0.30 -0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 1fr6 s TYR 39 Cb -0.17 -1.19 -0.03 0.00 -0.40 0.00 0.00 41.96 40.17 1fr6 s TYR 39 CO 0.17 -0.26 -0.01 0.71 -1.57 0.00 0.00 175.55 174.59 1fr6 s TYR 40 N 0.40 3.11 -0.02 2.71 1.51 -1.26 -1.22 117.35 122.58 1fr6 s TYR 40 Ca -0.12 0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1fr6 s TYR 40 Cb -0.15 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1fr6 s TYR 40 CO 0.04 0.45 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.85 1fr6 s PHE 41 N -0.91 0.34 -0.04 2.71 0.40 0.17 -5.00 117.98 115.65 1fr6 s PHE 41 Ca 0.14 -0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.41 1fr6 s PHE 41 Cb -0.11 -0.34 0.03 0.00 0.51 0.00 0.00 43.02 43.11 1fr6 s PHE 41 CO 0.04 -0.08 0.09 0.95 0.70 0.00 0.00 175.22 176.92 1fr6 s THR 42 N 0.53 -0.04 0.01 0.64 -4.23 -1.26 -0.55 115.64 110.75 1fr6 s THR 42 Ca -0.05 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1fr6 s THR 42 Cb -0.08 -0.15 -0.01 0.00 1.34 0.00 0.00 72.50 73.59 1fr6 s THR 42 CO -0.01 0.06 -0.02 0.26 -0.54 0.00 0.00 174.62 174.37 1fr6 s TRP 43 N 0.82 0.18 0.00 3.99 0.51 0.00 -5.01 118.94 119.43 1fr6 s TRP 43 Ca -0.06 -0.25 0.00 0.00 -2.12 0.00 0.00 56.10 53.66 1fr6 s TRP 43 Cb -0.09 -0.12 0.00 0.00 -0.81 0.00 0.00 33.47 32.45 1fr6 s TRP 43 CO -0.03 -0.08 0.00 0.41 -0.51 0.00 0.00 176.95 176.73 1fr6 n GLY 44 N 2.37 -0.26 3.51 0.98 0.00 -1.26 0.95 105.19 111.49 1fr6 n GLY 44 Ca -0.18 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1fr6 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr6 s LYS 45 N 0.00 2.30 -0.15 1.61 3.01 -0.55 -2.25 119.74 123.73 1fr6 s LYS 45 Ca 0.00 -0.85 0.12 0.00 -1.01 0.00 0.00 55.97 54.22 1fr6 s LYS 45 Cb 0.00 -2.32 -0.23 0.00 -1.01 0.00 0.00 37.83 34.26 1fr6 s LYS 45 CO 0.00 0.57 0.27 0.00 0.51 0.00 0.00 175.35 176.70 1fr6 n ALA 46 N 1.65 1.43 -3.58 5.17 0.00 0.13 -1.99 120.51 123.32 1fr6 n ALA 46 Ca -0.16 -1.03 -0.28 0.00 0.00 0.00 0.00 53.44 51.97 1fr6 n ALA 46 Cb 0.52 -0.45 -0.16 0.00 0.00 0.00 0.00 19.45 19.36 1fr6 n ALA 46 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1fr6 s ASP 47 N -5.99 3.00 0.07 0.00 3.68 -1.10 0.87 116.67 117.20 1fr6 s ASP 47 Ca -0.13 -0.98 -0.20 0.00 2.13 0.00 0.00 52.55 53.38 1fr6 s ASP 47 Cb 0.07 -0.31 -0.11 0.00 -1.45 0.00 0.00 42.92 41.12 1fr6 s ASP 47 CO 0.79 -0.40 1.46 0.40 0.13 0.00 0.00 175.17 177.55 1fr6 h ILE 48 N 6.42 1.29 0.46 4.11 2.04 -1.85 -0.62 117.51 129.34 1fr6 h ILE 48 Ca -0.18 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1fr6 h ILE 48 Cb 1.07 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1fr6 h ILE 48 CO 0.37 0.31 -0.35 0.00 0.00 0.00 0.00 178.15 178.48 1fr6 h ALA 49 N 0.74 -1.10 0.00 1.87 0.00 -1.97 -2.85 119.26 115.95 1fr6 h ALA 49 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1fr6 h ALA 49 Cb 0.49 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1fr6 h ALA 49 CO 0.02 -1.09 0.00 0.09 0.00 0.00 0.00 179.25 178.27 1fr6 n ASN 50 N -4.53 0.00 -3.97 0.00 5.03 -1.25 -4.88 115.26 105.65 1fr6 n ASN 50 Ca -0.09 -0.65 -0.33 0.00 0.87 0.00 0.00 54.58 54.38 1fr6 n ASN 50 Cb 0.34 -0.01 -0.00 0.00 -1.02 0.00 0.00 39.78 39.08 1fr6 n ASN 50 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1fr6 n ASN 51 N -1.01 -2.21 -4.66 6.41 2.04 -0.56 -4.93 115.26 110.34 1fr6 n ASN 51 Ca 0.16 -0.97 -0.39 0.00 -0.44 0.00 0.00 54.58 52.94 1fr6 n ASN 51 Cb 0.08 -1.18 -0.07 0.00 -2.53 0.00 0.00 39.78 36.08 1fr6 n ASN 51 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1fr6 s ARG 52 N -6.74 4.17 0.34 -3.83 0.52 -0.35 -5.00 118.95 108.06 1fr6 s ARG 52 Ca 0.29 0.36 -0.18 0.00 -0.52 0.00 0.00 55.73 55.68 1fr6 s ARG 52 Cb -0.16 -3.57 -0.09 0.00 0.52 0.00 0.00 34.95 31.65 1fr6 s ARG 52 CO 0.73 -0.15 0.80 -1.25 0.02 0.00 0.00 175.30 175.45 1fr6 s PRO 53 N 1.65 4.13 -0.13 3.54 0.04 -1.26 0.20 135.00 143.17 1fr6 s PRO 53 Ca 0.23 0.85 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 1fr6 s PRO 53 Cb -0.15 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.91 1fr6 s PRO 53 CO 0.09 0.15 1.32 0.08 0.04 0.00 0.00 177.00 178.69 1fr6 s VAL 54 N -1.95 4.14 0.32 -0.36 1.01 -0.95 -4.59 120.40 118.02 1fr6 s VAL 54 Ca 0.54 1.40 0.05 0.00 0.00 0.00 0.00 61.98 63.97 1fr6 s VAL 54 Cb -0.11 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1fr6 s VAL 54 CO 0.17 -0.11 0.02 -0.89 0.00 0.00 0.00 175.10 174.30 1fr6 s THR 55 N 3.40 1.36 -1.04 3.92 2.01 -1.26 -4.55 115.64 119.48 1fr6 s THR 55 Ca 0.58 -2.03 0.00 0.00 0.31 0.00 0.00 61.69 60.55 1fr6 s THR 55 Cb -0.24 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1fr6 s THR 55 CO 0.18 -0.10 0.95 0.00 -0.69 0.00 0.00 174.62 174.96 1fr6 n GLN 56 N -0.67 0.00 0.00 4.92 6.02 -1.26 -1.20 117.38 125.19 1fr6 n GLN 56 Ca -0.03 0.45 0.04 0.00 -0.01 0.00 0.00 57.00 57.45 1fr6 n GLN 56 Cb 0.66 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.37 1fr6 n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1fr6 n GLN 57 N -1.45 3.43 -2.22 -1.09 6.02 -1.26 -3.97 117.38 116.84 1fr6 n GLN 57 Ca 0.00 -0.19 -0.42 0.00 -0.01 0.00 0.00 57.00 56.38 1fr6 n GLN 57 Cb 0.01 -0.97 -0.03 0.00 1.02 0.00 0.00 30.24 30.28 1fr6 n GLN 57 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1fr6 s THR 58 N -1.67 3.55 -0.33 5.09 -1.32 -0.34 -4.80 115.64 115.82 1fr6 s THR 58 Ca 0.05 1.06 -0.29 0.00 -1.21 0.00 0.00 61.69 61.29 1fr6 s THR 58 Cb 0.07 -3.68 0.02 0.00 -1.51 0.00 0.00 72.50 67.40 1fr6 s THR 58 CO 0.33 0.05 1.09 -0.76 -2.21 0.00 0.00 174.62 173.11 1fr6 s LEU 59 N 1.65 3.91 -0.10 9.08 1.43 0.55 -4.20 118.68 130.99 1fr6 s LEU 59 Ca 0.64 1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 54.72 1fr6 s LEU 59 Cb -0.34 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 1fr6 s LEU 59 CO 0.29 -0.92 0.01 -0.36 0.23 0.00 0.00 176.35 175.60 1fr6 s PHE 60 N 3.74 3.19 0.08 0.29 0.08 -0.48 -2.15 117.98 122.73 1fr6 s PHE 60 Ca 0.46 0.16 -0.31 0.00 0.12 0.00 0.00 56.93 57.36 1fr6 s PHE 60 Cb -0.12 -1.84 -0.06 0.00 -0.57 0.00 0.00 43.02 40.42 1fr6 s PHE 60 CO 0.17 0.41 1.26 -1.21 -0.10 0.00 0.00 175.22 175.75 1fr6 s GLU 61 N -0.64 4.39 0.01 0.44 2.02 -1.26 -0.83 118.70 122.83 1fr6 s GLU 61 Ca 0.11 1.87 0.25 0.00 0.02 0.00 0.00 54.97 57.22 1fr6 s GLU 61 Cb -0.12 -3.31 0.59 0.00 0.10 0.00 0.00 34.13 31.39 1fr6 s GLU 61 CO 0.02 -0.32 1.47 1.28 0.02 0.00 0.00 175.26 177.74 1fr6 n LEU 62 N 3.94 0.45 0.00 1.80 4.77 0.40 -4.70 117.00 123.66 1fr6 n LEU 62 Ca 0.10 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1fr6 n LEU 62 Cb 0.45 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1fr6 n LEU 62 CO 0.57 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1fr6 n GLY 63 N 1.49 3.20 0.00 -0.72 0.00 -1.21 -1.04 105.19 106.91 1fr6 n GLY 63 Ca 0.06 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.90 1fr6 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fr6 n SER 64 N 3.06 0.00 0.14 1.61 7.64 -1.26 -2.84 113.62 121.97 1fr6 n SER 64 Ca 0.00 0.42 0.11 0.00 1.01 0.00 0.00 58.87 60.42 1fr6 n SER 64 Cb 0.00 -0.46 0.52 0.00 -1.01 0.00 0.00 64.21 63.26 1fr6 n SER 64 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1fr6 n VAL 65 N -1.46 0.94 0.28 0.44 0.31 -0.20 -1.73 118.33 116.90 1fr6 n VAL 65 Ca 0.05 0.45 0.14 0.00 -0.01 0.00 0.00 64.34 64.97 1fr6 n VAL 65 Cb 0.19 -1.41 0.81 0.00 -0.91 0.00 0.00 33.84 32.52 1fr6 n VAL 65 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1fr6 h SER 66 N 0.00 0.00 0.54 4.52 0.02 -1.71 -3.03 113.55 113.88 1fr6 h SER 66 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1fr6 h SER 66 Cb 0.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1fr6 h SER 66 CO 0.00 0.08 -0.13 0.11 -1.14 0.00 0.00 176.83 175.74 1fr6 h LYS 67 N 0.00 0.00 -0.11 3.45 1.57 -1.50 -2.12 116.57 117.85 1fr6 h LYS 67 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1fr6 h LYS 67 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1fr6 h LYS 67 CO 0.01 0.13 -0.09 1.79 -0.57 0.00 0.00 179.45 180.73 1fr6 h THR 68 N 0.00 1.34 0.05 -0.16 1.35 -1.75 -0.86 112.91 112.88 1fr6 h THR 68 Ca -0.00 -1.19 0.01 0.00 -0.55 0.00 0.00 66.41 64.68 1fr6 h THR 68 Cb 0.44 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 1fr6 h THR 68 CO 0.02 0.34 -0.10 -0.26 -0.25 0.00 0.00 175.52 175.27 1fr6 h PHE 69 N -0.12 -0.25 0.14 4.73 -1.00 -1.59 0.15 116.94 119.00 1fr6 h PHE 69 Ca 0.02 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.82 1fr6 h PHE 69 Cb 0.58 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.20 1fr6 h PHE 69 CO 0.08 -0.15 -0.42 -0.97 -1.61 0.00 0.00 178.31 175.24 1fr6 h ASN 70 N -0.19 -1.25 -0.54 2.17 -0.73 -1.35 0.13 115.58 113.82 1fr6 h ASN 70 Ca 0.02 0.14 0.11 0.00 1.87 0.00 0.00 56.30 58.43 1fr6 h ASN 70 Cb 0.21 0.46 -0.09 0.00 0.27 0.00 0.00 38.32 39.18 1fr6 h ASN 70 CO -0.06 -0.50 0.03 1.23 -0.37 0.00 0.00 177.43 177.76 1fr6 h GLY 71 N -0.67 0.60 1.00 1.57 0.00 -0.97 -0.08 103.07 104.52 1fr6 h GLY 71 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1fr6 h GLY 71 CO -0.23 -0.14 0.35 -2.08 0.00 0.00 0.00 176.54 174.43 1fr6 h VAL 72 N 0.15 1.14 -0.50 4.60 2.07 0.06 -2.39 116.25 121.38 1fr6 h VAL 72 Ca 0.28 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1fr6 h VAL 72 Cb 0.42 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1fr6 h VAL 72 CO -0.43 0.14 0.26 0.25 0.02 0.00 0.00 177.57 177.80 1fr6 h LEU 73 N 0.72 0.64 -0.76 2.57 5.85 0.65 -0.58 115.31 124.40 1fr6 h LEU 73 Ca 0.19 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1fr6 h LEU 73 Cb -0.07 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1fr6 h LEU 73 CO -0.04 0.57 0.47 1.23 -0.34 0.00 0.00 178.44 180.32 1fr6 h GLY 74 N 0.66 1.11 0.69 3.75 0.00 -0.87 -2.11 103.07 106.29 1fr6 h GLY 74 Ca 0.17 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.20 1fr6 h GLY 74 CO -0.03 0.27 0.14 -1.33 0.00 0.00 0.00 176.54 175.59 1fr6 h GLY 75 N 0.89 0.49 0.97 4.60 0.00 -0.99 -0.22 103.07 108.80 1fr6 h GLY 75 Ca 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1fr6 h GLY 75 CO -0.14 0.04 -0.10 -1.80 0.00 0.00 0.00 176.54 174.54 1fr6 h ASP 76 N 0.30 -0.24 -1.01 0.19 1.82 -0.48 -0.72 116.42 116.28 1fr6 h ASP 76 Ca 0.17 -0.02 0.30 0.00 -0.39 0.00 0.00 57.03 57.09 1fr6 h ASP 76 Cb 0.14 0.06 -0.14 0.00 0.68 0.00 0.00 39.33 40.08 1fr6 h ASP 76 CO -0.17 -0.14 0.59 0.00 -1.61 0.00 0.00 179.24 177.91 1fr6 h ALA 77 N 0.46 1.94 0.78 -0.78 0.00 -0.88 0.32 119.26 121.11 1fr6 h ALA 77 Ca -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1fr6 h ALA 77 Cb 0.25 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1fr6 h ALA 77 CO 0.05 -0.50 -0.37 0.82 0.00 0.00 0.00 179.25 179.24 1fr6 h ILE 78 N 0.40 0.00 -0.74 0.00 2.04 -0.39 0.88 117.51 119.70 1fr6 h ILE 78 Ca 0.71 -0.09 0.14 0.00 1.00 0.00 0.00 64.86 66.61 1fr6 h ILE 78 Cb 1.56 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.50 1fr6 h ILE 78 CO -0.55 0.00 -0.29 0.00 0.00 0.00 0.00 178.15 177.31 1fr6 h ALA 79 N -1.43 0.23 0.00 1.87 0.00 0.94 0.91 119.26 121.78 1fr6 h ALA 79 Ca -0.11 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1fr6 h ALA 79 Cb 0.80 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1fr6 h ALA 79 CO 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.87 1fr6 h ARG 80 N -0.07 0.00 0.00 0.00 3.08 -0.55 -3.45 114.38 113.39 1fr6 h ARG 80 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1fr6 h ARG 80 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1fr6 h ARG 80 CO -0.79 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 178.52 1fr6 n GLY 81 N -0.85 0.58 0.12 0.04 0.00 0.31 -4.97 105.19 100.42 1fr6 n GLY 81 Ca -0.02 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.24 1fr6 n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fr6 h GLU 82 N 0.00 0.00 -4.03 1.61 5.08 -0.96 -3.48 114.58 112.80 1fr6 h GLU 82 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1fr6 h GLU 82 Cb 0.16 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.25 1fr6 h GLU 82 CO 0.00 0.29 -0.56 0.96 -1.00 0.00 0.00 179.01 178.69 1fr6 s ILE 83 N -3.03 0.18 0.06 3.13 -5.25 -1.06 -4.88 121.20 110.35 1fr6 s ILE 83 Ca 0.00 -1.47 0.07 0.00 -0.99 0.00 0.00 60.65 58.27 1fr6 s ILE 83 Cb 0.08 -1.31 -0.03 0.00 2.95 0.00 0.00 42.46 44.15 1fr6 s ILE 83 CO 0.78 -0.81 -0.20 -0.54 -1.79 0.00 0.00 174.94 172.38 1fr6 s LYS 84 N -3.59 1.27 0.25 0.37 1.02 -1.26 -4.28 119.74 113.52 1fr6 s LYS 84 Ca 0.03 -0.98 0.11 0.00 0.02 0.00 0.00 55.97 55.16 1fr6 s LYS 84 Cb 0.05 -1.41 0.21 0.00 -0.52 0.00 0.00 37.83 36.16 1fr6 s LYS 84 CO -0.09 0.35 1.52 -0.07 -0.92 0.00 0.00 175.35 176.14 1fr6 h LEU 85 N 4.67 0.00 -0.15 3.17 3.38 -1.99 -3.04 115.31 121.35 1fr6 h LEU 85 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1fr6 h LEU 85 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1fr6 h LEU 85 CO 0.43 0.68 0.00 -1.20 0.09 0.00 0.00 178.44 178.43 1fr6 n SER 86 N -3.56 0.40 -4.72 -0.43 7.64 -1.26 -1.82 113.62 109.87 1fr6 n SER 86 Ca -0.00 0.56 -0.34 0.00 1.01 0.00 0.00 58.87 60.09 1fr6 n SER 86 Cb 0.71 -0.66 0.10 0.00 -1.01 0.00 0.00 64.21 63.34 1fr6 n SER 86 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1fr6 s ASP 87 N -3.75 4.11 0.34 6.43 -0.00 -1.15 -4.77 116.67 117.88 1fr6 s ASP 87 Ca 0.10 2.40 -0.25 0.00 -0.00 0.00 0.00 52.55 54.80 1fr6 s ASP 87 Cb 0.13 -2.59 -0.10 0.00 -0.00 0.00 0.00 42.92 40.36 1fr6 s ASP 87 CO 0.47 -2.32 0.94 -2.84 -0.00 0.00 0.00 175.17 171.42 1fr6 s PRO 88 N -3.88 4.48 0.25 8.23 0.02 -1.26 -1.50 135.00 141.33 1fr6 s PRO 88 Ca 0.75 1.26 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1fr6 s PRO 88 Cb -0.30 -2.65 0.30 0.00 0.02 0.00 0.00 34.50 31.86 1fr6 s PRO 88 CO 0.46 0.21 1.65 0.28 -0.33 0.00 0.00 177.00 179.27 1fr6 h VAL 89 N 2.44 1.29 0.00 3.83 2.07 -1.79 -2.11 116.25 121.98 1fr6 h VAL 89 Ca -0.47 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1fr6 h VAL 89 Cb 1.19 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1fr6 h VAL 89 CO 0.64 0.45 0.00 0.71 0.02 0.00 0.00 177.57 179.39 1fr6 h THR 90 N 0.45 0.00 0.00 2.57 1.35 -1.86 0.13 112.91 115.55 1fr6 h THR 90 Ca 0.05 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1fr6 h THR 90 Cb 0.80 0.65 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1fr6 h THR 90 CO 0.06 0.00 -0.01 -0.61 -0.25 0.00 0.00 175.52 174.72 1fr6 h GLN 91 N 0.00 0.00 0.00 4.72 4.15 -1.77 -3.05 115.11 119.15 1fr6 h GLN 91 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1fr6 h GLN 91 Cb 0.02 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1fr6 h GLN 91 CO 0.00 0.01 -1.19 0.66 -1.93 0.00 0.00 178.83 176.38 1fr6 n TYR 92 N -3.10 0.00 -3.83 3.99 4.01 0.23 -4.83 117.16 113.63 1fr6 n TYR 92 Ca 0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.47 1fr6 n TYR 92 Cb 0.36 -0.13 -0.12 0.00 -0.31 0.00 0.00 39.34 39.14 1fr6 n TYR 92 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1fr6 s TRP 93 N -2.07 2.99 0.30 -0.72 -0.00 0.01 -4.93 118.94 114.52 1fr6 s TRP 93 Ca -0.02 -3.07 0.36 0.00 -0.00 0.00 0.00 56.10 53.37 1fr6 s TRP 93 Cb 0.01 -2.41 1.88 0.00 -0.00 0.00 0.00 33.47 32.95 1fr6 s TRP 93 CO 0.10 -0.65 2.10 -1.35 -0.00 0.00 0.00 176.95 177.15 1fr6 h PRO 94 N 5.83 0.00 0.00 5.86 0.11 -1.78 -2.12 132.00 139.90 1fr6 h PRO 94 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1fr6 h PRO 94 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1fr6 h PRO 94 CO 0.64 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 1fr6 n GLU 95 N -2.82 0.82 -2.82 1.05 4.71 -1.26 -4.34 120.64 115.98 1fr6 n GLU 95 Ca -0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.70 1fr6 n GLU 95 Cb 0.10 -1.26 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 1fr6 n GLU 95 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1fr6 n LEU 96 N -0.76 5.70 0.43 -4.62 4.77 -0.80 -4.79 117.00 116.93 1fr6 n LEU 96 Ca 0.10 -4.60 -0.19 0.00 -0.03 0.00 0.00 56.01 51.29 1fr6 n LEU 96 Cb 0.05 -1.55 -0.09 0.00 -2.33 0.00 0.00 43.42 39.49 1fr6 n LEU 96 CO 0.08 1.01 0.61 0.74 -1.33 0.00 0.00 177.39 178.49 1fr6 h THR 97 N 4.25 0.22 0.00 -5.08 2.02 -1.89 -3.47 112.91 108.95 1fr6 h THR 97 Ca 0.32 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1fr6 h THR 97 Cb 0.79 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1fr6 h THR 97 CO 1.33 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.84 1fr6 n GLY 98 N -1.53 0.00 0.10 2.16 0.00 -1.26 -4.89 105.19 99.77 1fr6 n GLY 98 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1fr6 n GLY 98 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fr6 h LYS 99 N 0.00 -0.14 -0.01 1.61 1.63 -1.94 -3.24 116.57 114.48 1fr6 h LYS 99 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1fr6 h LYS 99 Cb 0.00 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1fr6 h LYS 99 CO 0.00 0.13 0.52 -0.56 -3.45 0.00 0.00 179.45 176.09 1fr6 h GLN 100 N -0.39 0.00 -0.01 1.90 -0.00 -1.94 -1.84 115.11 112.83 1fr6 h GLN 100 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1fr6 h GLN 100 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.81 1fr6 h GLN 100 CO 0.02 0.00 -0.18 0.91 -0.00 0.00 0.00 178.83 179.58 1fr6 n TRP 101 N -2.79 0.00 0.00 0.06 7.02 -1.22 -4.70 117.44 115.80 1fr6 n TRP 101 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1fr6 n TRP 101 Cb 0.55 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 1fr6 n TRP 101 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1fr6 n GLN 102 N -0.79 0.00 -0.28 -0.99 1.13 -0.69 -3.32 117.38 112.43 1fr6 n GLN 102 Ca 0.13 0.24 -0.02 0.00 -1.94 0.00 0.00 57.00 55.42 1fr6 n GLN 102 Cb 0.31 -0.76 0.01 0.00 0.11 0.00 0.00 30.24 29.92 1fr6 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fr6 n GLY 103 N -0.50 2.39 3.46 1.08 0.00 -1.26 -4.85 105.19 105.51 1fr6 n GLY 103 Ca 0.00 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1fr6 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fr6 s ILE 104 N -0.24 3.84 0.51 -0.61 1.01 -1.21 -4.84 121.20 119.66 1fr6 s ILE 104 Ca 0.04 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.40 1fr6 s ILE 104 Cb 0.03 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.83 1fr6 s ILE 104 CO 0.00 0.46 0.55 -0.94 0.00 0.00 0.00 174.94 175.02 1fr6 s SER 105 N 0.69 5.02 0.15 3.58 1.04 -1.26 -2.54 113.70 120.38 1fr6 s SER 105 Ca -0.01 -0.89 -0.24 0.00 0.48 0.00 0.00 55.95 55.29 1fr6 s SER 105 Cb -0.14 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1fr6 s SER 105 CO 0.02 -1.03 1.61 -0.07 0.98 0.00 0.00 173.24 174.75 1fr6 h LEU 106 N 0.61 -0.98 -0.88 2.42 3.38 -0.85 0.46 115.31 119.48 1fr6 h LEU 106 Ca -0.36 0.16 0.23 0.00 0.09 0.00 0.00 57.88 58.01 1fr6 h LEU 106 Cb 1.29 0.45 -0.14 0.00 0.09 0.00 0.00 40.66 42.34 1fr6 h LEU 106 CO 0.50 -0.33 0.26 0.25 0.09 0.00 0.00 178.44 179.22 1fr6 h LEU 107 N -0.31 0.05 -0.05 1.67 5.85 -1.65 0.57 115.31 121.44 1fr6 h LEU 107 Ca 0.14 0.19 0.03 0.00 0.84 0.00 0.00 57.88 59.07 1fr6 h LEU 107 Cb 0.52 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1fr6 h LEU 107 CO -0.44 -0.14 -0.13 0.45 -0.34 0.00 0.00 178.44 177.85 1fr6 h HIS 108 N 0.23 -0.32 0.45 1.25 3.86 -1.21 0.70 115.15 120.12 1fr6 h HIS 108 Ca 0.55 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.76 1fr6 h HIS 108 Cb 1.11 0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1fr6 h HIS 108 CO -0.24 -0.19 -0.23 -0.07 0.86 0.00 0.00 177.93 178.06 1fr6 h LEU 109 N -0.19 -0.55 -2.09 2.43 3.38 0.56 0.17 115.31 119.02 1fr6 h LEU 109 Ca 0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1fr6 h LEU 109 Cb 0.27 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1fr6 h LEU 109 CO -0.16 -0.38 -0.01 0.00 0.09 0.00 0.00 178.44 177.97 1fr6 h ALA 110 N -0.08 1.86 -0.53 1.53 0.00 -0.10 -2.84 119.26 119.10 1fr6 h ALA 110 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fr6 h ALA 110 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1fr6 h ALA 110 CO 0.09 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.61 1fr6 n THR 111 N -4.35 1.33 -2.33 0.00 -2.24 0.22 -4.66 114.28 102.25 1fr6 n THR 111 Ca -0.03 -1.13 -0.19 0.00 -2.27 0.00 0.00 64.05 60.43 1fr6 n THR 111 Cb 0.10 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1fr6 n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1fr6 n TYR 112 N 0.92 -0.87 0.25 4.78 4.01 -0.87 -4.73 117.16 120.66 1fr6 n TYR 112 Ca 0.20 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.02 1fr6 n TYR 112 Cb 0.64 -3.69 0.13 0.00 -0.31 0.00 0.00 39.34 36.11 1fr6 n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1fr6 n THR 113 N -3.95 0.43 0.13 -0.72 -2.24 0.54 -1.16 114.28 107.31 1fr6 n THR 113 Ca -0.22 -0.72 0.07 0.00 -2.27 0.00 0.00 64.05 60.91 1fr6 n THR 113 Cb 0.67 0.96 0.36 0.00 -2.10 0.00 0.00 70.33 70.22 1fr6 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fr6 n ALA 114 N 0.86 0.76 0.00 6.98 0.00 -1.10 -1.78 120.51 126.23 1fr6 n ALA 114 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1fr6 n ALA 114 Cb 0.43 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1fr6 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fr6 n GLY 115 N -1.30 1.01 0.32 0.00 0.00 -1.26 -4.28 105.19 99.69 1fr6 n GLY 115 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1fr6 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fr6 n GLY 116 N -0.01 1.26 3.77 -0.02 0.00 -1.26 -1.85 105.19 107.08 1fr6 n GLY 116 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1fr6 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fr6 s LEU 117 N -0.12 4.23 0.76 0.99 1.43 -1.26 -4.74 118.68 119.98 1fr6 s LEU 117 Ca 0.00 2.17 -0.14 0.00 -1.03 0.00 0.00 54.13 55.13 1fr6 s LEU 117 Cb 0.00 -4.03 0.06 0.00 0.03 0.00 0.00 46.19 42.24 1fr6 s LEU 117 CO 0.00 -0.49 1.20 -2.84 0.23 0.00 0.00 176.35 174.45 1fr6 s PRO 118 N -2.24 1.94 0.36 1.29 0.02 -1.26 -4.72 135.00 130.38 1fr6 s PRO 118 Ca 0.55 1.72 0.05 0.00 0.02 0.00 0.00 61.00 63.35 1fr6 s PRO 118 Cb -0.26 -1.81 0.72 0.00 0.02 0.00 0.00 34.50 33.17 1fr6 s PRO 118 CO 0.33 -1.98 1.96 1.25 -0.33 0.00 0.00 177.00 178.23 1fr6 h LEU 119 N -0.59 0.68 -8.03 -5.54 5.85 -1.91 -3.01 115.31 102.76 1fr6 h LEU 119 Ca -0.47 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 57.90 1fr6 h LEU 119 Cb 1.29 -0.14 -0.27 0.00 0.37 0.00 0.00 40.66 41.91 1fr6 h LEU 119 CO 0.48 0.44 -0.77 -1.10 -0.34 0.00 0.00 178.44 177.16 1fr6 s GLN 120 N -5.69 0.61 0.20 1.25 -1.52 -1.26 -2.55 119.66 110.71 1fr6 s GLN 120 Ca -0.10 -0.37 -0.30 0.00 -1.95 0.00 0.00 55.36 52.64 1fr6 s GLN 120 Cb 0.19 -0.57 -0.08 0.00 -0.22 0.00 0.00 33.01 32.33 1fr6 s GLN 120 CO 0.77 0.15 1.19 0.08 -0.25 0.00 0.00 175.29 177.24 1fr6 s VAL 121 N -0.39 3.50 0.05 1.09 1.01 -1.26 -4.87 120.40 119.53 1fr6 s VAL 121 Ca 0.01 1.30 -0.32 0.00 0.00 0.00 0.00 61.98 62.97 1fr6 s VAL 121 Cb -0.04 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 1fr6 s VAL 121 CO -0.00 0.23 1.83 -2.65 0.00 0.00 0.00 175.10 174.50 1fr6 n PRO 122 N 2.26 2.51 -0.33 2.72 -0.02 -1.26 -4.85 135.00 136.02 1fr6 n PRO 122 Ca 0.03 0.91 0.12 0.00 -2.02 0.00 0.00 63.50 62.55 1fr6 n PRO 122 Cb 0.44 -2.78 0.33 0.00 -0.02 0.00 0.00 33.50 31.48 1fr6 n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1fr6 h ASP 123 N 8.59 0.76 -0.85 2.55 3.45 -2.02 -0.57 116.42 128.33 1fr6 h ASP 123 Ca -0.47 0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.06 1fr6 h ASP 123 Cb 1.25 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.90 1fr6 h ASP 123 CO 0.94 0.32 0.53 -2.24 -1.57 0.00 0.00 179.24 177.21 1fr6 h ASP 124 N 0.77 1.01 -3.02 6.45 2.03 -2.03 -3.33 116.42 118.30 1fr6 h ASP 124 Ca 0.53 -0.06 -0.57 0.00 -0.73 0.00 0.00 57.03 56.21 1fr6 h ASP 124 Cb 0.82 -0.25 -0.04 0.00 -0.83 0.00 0.00 39.33 39.03 1fr6 h ASP 124 CO -0.31 0.77 1.06 -0.69 -1.03 0.00 0.00 179.24 179.05 1fr6 s VAL 125 N -6.01 3.90 0.00 4.15 1.01 -0.22 -4.80 120.40 118.42 1fr6 s VAL 125 Ca -0.13 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1fr6 s VAL 125 Cb 0.16 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1fr6 s VAL 125 CO 0.80 -0.47 0.75 0.35 0.00 0.00 0.00 175.10 176.53 1fr6 n THR 126 N 6.54 0.54 -4.00 3.92 -2.24 -1.25 -4.72 114.28 113.06 1fr6 n THR 126 Ca 0.17 -0.72 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 1fr6 n THR 126 Cb 0.46 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 1fr6 n THR 126 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1fr6 s ASP 127 N -0.54 0.61 0.28 3.42 -4.77 -1.26 -4.94 116.67 109.48 1fr6 s ASP 127 Ca 0.00 -1.36 -0.02 0.00 -3.30 0.00 0.00 52.55 47.86 1fr6 s ASP 127 Cb 0.00 0.72 0.40 0.00 -1.09 0.00 0.00 42.92 42.95 1fr6 s ASP 127 CO 0.00 -1.42 1.91 0.50 0.70 0.00 0.00 175.17 176.86 1fr6 h LYS 128 N 2.07 1.03 -0.20 2.11 3.64 -1.98 -0.09 116.57 123.16 1fr6 h LYS 128 Ca -0.29 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.02 1fr6 h LYS 128 Cb 1.24 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1fr6 h LYS 128 CO 0.39 0.76 -0.14 0.00 -2.27 0.00 0.00 179.45 178.19 1fr6 h ALA 129 N 1.41 0.01 0.00 5.00 0.00 -2.01 0.16 119.26 123.84 1fr6 h ALA 129 Ca 0.26 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1fr6 h ALA 129 Cb 0.03 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1fr6 h ALA 129 CO -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 179.25 178.64 1fr6 h ALA 130 N 1.00 1.00 0.13 0.00 0.00 -1.90 -3.18 119.26 116.31 1fr6 h ALA 130 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1fr6 h ALA 130 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1fr6 h ALA 130 CO -0.28 0.00 -0.06 1.25 0.00 0.00 0.00 179.25 180.16 1fr6 h LEU 131 N 0.00 -0.14 -0.69 0.00 5.85 0.12 -1.62 115.31 118.82 1fr6 h LEU 131 Ca 0.00 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1fr6 h LEU 131 Cb 0.70 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 1fr6 h LEU 131 CO 0.00 -0.07 -0.41 -0.11 -0.34 0.00 0.00 178.44 177.51 1fr6 n LEU 132 N -2.62 -0.73 -0.32 2.25 7.94 -0.12 0.14 117.00 123.54 1fr6 n LEU 132 Ca -0.02 1.28 0.15 0.00 -1.11 0.00 0.00 56.01 56.31 1fr6 n LEU 132 Cb 0.07 -0.18 0.39 0.00 0.53 0.00 0.00 43.42 44.22 1fr6 n LEU 132 CO 0.05 -1.03 1.21 -0.09 -1.11 0.00 0.00 177.39 176.42 1fr6 h ARG 133 N 0.00 0.62 0.04 1.96 9.65 -1.62 0.41 114.38 125.45 1fr6 h ARG 133 Ca 0.11 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1fr6 h ARG 133 Cb 0.28 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1fr6 h ARG 133 CO -0.65 0.41 -0.02 0.35 2.80 0.00 0.00 179.97 182.86 1fr6 h PHE 134 N 0.64 -0.06 0.02 2.20 3.57 0.23 -2.39 116.94 121.15 1fr6 h PHE 134 Ca 0.55 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.05 1fr6 h PHE 134 Cb 1.01 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1fr6 h PHE 134 CO -0.00 0.15 -0.01 1.88 -2.23 0.00 0.00 178.31 178.10 1fr6 h TYR 135 N -0.26 -0.03 -0.34 0.41 0.05 -0.79 -0.76 116.97 115.26 1fr6 h TYR 135 Ca -0.01 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.87 1fr6 h TYR 135 Cb 0.23 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1fr6 h TYR 135 CO -0.01 0.18 0.66 1.96 -1.05 0.00 0.00 178.16 179.90 1fr6 h GLN 136 N -0.23 0.00 -0.01 4.88 4.20 -0.12 1.38 115.11 125.21 1fr6 h GLN 136 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1fr6 h GLN 136 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1fr6 h GLN 136 CO 0.00 0.00 -0.01 0.09 -0.67 0.00 0.00 178.83 178.25 1fr6 n ASN 137 N -3.16 1.39 -4.65 1.46 5.03 -0.91 -4.76 115.26 109.66 1fr6 n ASN 137 Ca 0.06 -1.20 -0.45 0.00 0.87 0.00 0.00 54.58 53.86 1fr6 n ASN 137 Cb 0.79 0.02 -0.03 0.00 -1.02 0.00 0.00 39.78 39.55 1fr6 n ASN 137 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 1fr6 n TRP 138 N 0.25 1.96 -3.84 3.10 -0.00 0.47 -4.95 117.44 114.43 1fr6 n TRP 138 Ca 0.03 0.50 -0.36 0.00 -0.00 0.00 0.00 57.50 57.67 1fr6 n TRP 138 Cb 0.12 -2.41 -0.13 0.00 -0.00 0.00 0.00 31.31 28.90 1fr6 n TRP 138 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 1fr6 s GLN 139 N -0.56 2.32 0.33 5.87 0.74 -1.26 -4.99 119.66 122.11 1fr6 s GLN 139 Ca 0.68 -1.43 -0.29 0.00 0.05 0.00 0.00 55.36 54.37 1fr6 s GLN 139 Cb -0.69 -3.36 -0.10 0.00 1.10 0.00 0.00 33.01 29.96 1fr6 s GLN 139 CO 0.52 -0.78 1.32 -2.14 -0.55 0.00 0.00 175.29 173.65 1fr6 s PRO 140 N 1.24 4.34 0.06 1.67 0.02 -1.26 -4.92 135.00 136.16 1fr6 s PRO 140 Ca -0.00 2.23 0.18 0.00 0.02 0.00 0.00 61.00 63.43 1fr6 s PRO 140 Cb -0.21 -3.07 -0.13 0.00 0.02 0.00 0.00 34.50 31.11 1fr6 s PRO 140 CO -0.01 -0.21 0.80 1.04 -0.33 0.00 0.00 177.00 178.29 1fr6 n GLN 141 N 0.82 0.62 -4.01 5.54 6.02 -0.77 -4.94 117.38 120.66 1fr6 n GLN 141 Ca 0.00 0.18 -0.09 0.00 -0.01 0.00 0.00 57.00 57.09 1fr6 n GLN 141 Cb 0.42 -1.79 -0.08 0.00 1.02 0.00 0.00 30.24 29.81 1fr6 n GLN 141 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1fr6 s TRP 142 N -2.99 0.46 0.41 1.08 0.51 -1.15 -5.07 118.94 112.21 1fr6 s TRP 142 Ca -0.03 -0.89 -0.23 0.00 -2.12 0.00 0.00 56.10 52.83 1fr6 s TRP 142 Cb 0.09 -0.23 -0.10 0.00 -0.81 0.00 0.00 33.47 32.42 1fr6 s TRP 142 CO 0.81 -0.54 1.00 0.00 -0.51 0.00 0.00 176.95 177.71 1fr6 s ALA 143 N -3.94 3.05 0.48 0.98 0.00 -1.26 -4.38 121.76 116.68 1fr6 s ALA 143 Ca 0.13 0.56 -0.20 0.00 0.00 0.00 0.00 51.96 52.45 1fr6 s ALA 143 Cb 0.06 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 19.85 1fr6 s ALA 143 CO -0.05 -0.07 0.47 -0.35 0.00 0.00 0.00 175.76 175.76 1fr6 n PRO 144 N -0.30 0.50 -1.10 0.00 -0.04 -1.26 -3.27 135.00 129.52 1fr6 n PRO 144 Ca 0.06 0.19 -0.03 0.00 -0.04 0.00 0.00 63.50 63.67 1fr6 n PRO 144 Cb 0.52 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 1fr6 n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fr6 n GLY 145 N 1.86 0.44 0.08 0.55 0.00 -0.73 -4.91 105.19 102.48 1fr6 n GLY 145 Ca 0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1fr6 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fr6 n ALA 146 N 1.06 0.54 -2.46 4.61 0.00 -1.20 -4.71 120.51 118.35 1fr6 n ALA 146 Ca -0.03 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.66 1fr6 n ALA 146 Cb 0.40 -0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.63 1fr6 n ALA 146 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1fr6 s LYS 147 N -2.29 1.68 -0.11 0.00 1.02 -1.26 0.14 119.74 118.91 1fr6 s LYS 147 Ca -0.18 -1.23 -0.04 0.00 0.02 0.00 0.00 55.97 54.54 1fr6 s LYS 147 Cb 0.03 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1fr6 s LYS 147 CO 0.30 0.47 0.02 0.50 -0.92 0.00 0.00 175.35 175.73 1fr6 s ARG 148 N -2.12 3.28 -0.33 1.68 3.52 -0.73 -4.29 118.95 119.95 1fr6 s ARG 148 Ca 0.17 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 1fr6 s ARG 148 Cb -0.10 -2.92 0.14 0.00 -1.56 0.00 0.00 34.95 30.51 1fr6 s ARG 148 CO 0.09 0.59 0.29 -1.17 -0.81 0.00 0.00 175.30 174.28 1fr6 s LEU 149 N -0.54 0.14 -0.44 -0.88 2.96 -0.31 -2.34 118.68 117.26 1fr6 s LEU 149 Ca 0.10 -1.37 -0.39 0.00 -0.22 0.00 0.00 54.13 52.24 1fr6 s LEU 149 Cb -0.12 0.26 -0.17 0.00 0.50 0.00 0.00 46.19 46.66 1fr6 s LEU 149 CO 0.02 -0.33 1.87 0.00 -1.32 0.00 0.00 176.35 176.59 1fr6 n TYR 150 N 4.69 1.06 -3.83 5.38 4.19 -1.26 -4.82 117.16 122.57 1fr6 n TYR 150 Ca 0.05 0.70 -0.12 0.00 3.31 0.00 0.00 57.90 61.83 1fr6 n TYR 150 Cb 0.44 -2.03 -0.13 0.00 0.49 0.00 0.00 39.34 38.11 1fr6 n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1fr6 s ALA 151 N 5.17 -0.29 -0.49 2.98 0.00 -1.26 -4.50 121.76 123.37 1fr6 s ALA 151 Ca 1.06 0.31 0.24 0.00 0.00 0.00 0.00 51.96 53.57 1fr6 s ALA 151 Cb -1.33 -0.18 0.31 0.00 0.00 0.00 0.00 23.12 21.92 1fr6 s ALA 151 CO 0.59 -0.06 1.37 -0.91 0.00 0.00 0.00 175.76 176.75 1fr6 h ASN 152 N 5.90 0.00 -0.40 0.00 2.35 -1.56 -3.15 115.58 118.73 1fr6 h ASN 152 Ca -0.25 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1fr6 h ASN 152 Cb 1.20 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 1fr6 h ASN 152 CO 0.43 0.04 0.25 -1.28 -1.65 0.00 0.00 177.43 175.22 1fr6 h SER 153 N 0.00 0.49 0.00 5.81 0.87 -1.72 -2.05 113.55 116.95 1fr6 h SER 153 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1fr6 h SER 153 Cb 0.87 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1fr6 h SER 153 CO 0.00 0.38 -0.07 -1.28 -0.53 0.00 0.00 176.83 175.33 1fr6 h SER 154 N 0.57 0.00 1.33 6.23 0.87 -1.81 -3.28 113.55 117.46 1fr6 h SER 154 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1fr6 h SER 154 Cb -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1fr6 h SER 154 CO -0.03 0.37 0.00 -0.29 -0.53 0.00 0.00 176.83 176.35 1fr6 h ILE 155 N -0.67 0.00 0.14 2.23 2.10 -1.54 -1.05 117.51 118.72 1fr6 h ILE 155 Ca 0.00 -0.48 -0.28 0.00 1.08 0.00 0.00 64.86 65.18 1fr6 h ILE 155 Cb 0.07 1.41 0.01 0.00 -1.09 0.00 0.00 36.82 37.22 1fr6 h ILE 155 CO 0.00 0.00 -1.29 1.23 -1.08 0.00 0.00 178.15 177.01 1fr6 h GLY 156 N 3.81 0.33 0.96 8.18 0.00 -1.57 -2.93 103.07 111.85 1fr6 h GLY 156 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 47.33 46.31 1fr6 h GLY 156 CO 0.00 0.74 -0.59 -2.00 0.00 0.00 0.00 176.54 174.69 1fr6 h LEU 157 N 0.08 0.71 -0.45 3.11 5.85 -1.54 -2.14 115.31 120.93 1fr6 h LEU 157 Ca -0.16 -0.65 0.09 0.00 0.84 0.00 0.00 57.88 58.01 1fr6 h LEU 157 Cb 1.99 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.73 1fr6 h LEU 157 CO 0.20 1.24 -0.12 0.15 -0.34 0.00 0.00 178.44 179.58 1fr6 h PHE 158 N 0.23 -0.25 -0.74 1.25 3.57 -1.26 0.85 116.94 120.59 1fr6 h PHE 158 Ca -0.04 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1fr6 h PHE 158 Cb 1.23 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.12 1fr6 h PHE 158 CO 0.11 -0.20 0.31 0.78 -2.23 0.00 0.00 178.31 177.08 1fr6 h GLY 159 N -0.01 1.16 1.00 2.40 0.00 -1.50 0.84 103.07 106.97 1fr6 h GLY 159 Ca 0.22 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1fr6 h GLY 159 CO -0.47 0.57 0.37 0.00 0.00 0.00 0.00 176.54 177.02 1fr6 h ALA 160 N 1.27 0.74 0.19 3.60 0.00 -0.23 -3.18 119.26 121.66 1fr6 h ALA 160 Ca 0.25 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.78 1fr6 h ALA 160 Cb 0.18 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1fr6 h ALA 160 CO -0.02 0.20 -1.55 -0.07 0.00 0.00 0.00 179.25 177.80 1fr6 h LEU 161 N 0.79 0.62 -1.52 0.00 3.38 -0.66 -3.34 115.31 114.59 1fr6 h LEU 161 Ca 0.21 -0.78 0.26 0.00 0.09 0.00 0.00 57.88 57.67 1fr6 h LEU 161 Cb -0.06 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.41 1fr6 h LEU 161 CO -0.04 1.63 0.67 0.00 0.09 0.00 0.00 178.44 180.79 1fr6 h ALA 162 N 0.28 2.37 0.00 1.53 0.00 0.71 -2.03 119.26 122.12 1fr6 h ALA 162 Ca -0.27 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1fr6 h ALA 162 Cb 2.09 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 1fr6 h ALA 162 CO 0.21 -0.73 -0.57 0.28 0.00 0.00 0.00 179.25 178.44 1fr6 h VAL 163 N 0.33 1.13 -0.32 0.00 2.07 -1.69 -3.40 116.25 114.37 1fr6 h VAL 163 Ca 0.55 -2.15 0.03 0.00 0.82 0.00 0.00 66.70 65.95 1fr6 h VAL 163 Cb 1.53 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 33.50 1fr6 h VAL 163 CO -0.21 0.55 -0.33 0.11 0.02 0.00 0.00 177.57 177.71 1fr6 h LYS 164 N 0.00 -0.17 -0.26 1.57 1.79 -1.48 -1.84 116.57 116.18 1fr6 h LYS 164 Ca -0.01 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1fr6 h LYS 164 Cb 1.21 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.87 1fr6 h LYS 164 CO 0.07 -0.11 -0.16 -2.30 -1.08 0.00 0.00 179.45 175.87 1fr6 n PRO 165 N -4.27 -0.12 -0.18 3.15 -0.02 -1.26 0.11 135.00 132.42 1fr6 n PRO 165 Ca -0.01 0.60 0.28 0.00 -2.02 0.00 0.00 63.50 62.35 1fr6 n PRO 165 Cb 0.19 -0.88 0.54 0.00 -0.02 0.00 0.00 33.50 33.33 1fr6 n PRO 165 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1fr6 h SER 166 N 0.00 0.00 -2.97 2.55 4.64 -1.63 -3.44 113.55 112.71 1fr6 h SER 166 Ca 0.04 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.94 1fr6 h SER 166 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1fr6 h SER 166 CO -0.25 0.00 -0.53 0.61 -0.87 0.00 0.00 176.83 175.79 1fr6 n GLY 167 N -1.68 -0.44 3.38 -0.77 0.00 0.31 -4.97 105.19 101.02 1fr6 n GLY 167 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1fr6 n GLY 167 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fr6 s MET 168 N -5.02 1.43 0.63 1.61 -1.94 -1.26 -5.12 119.30 109.63 1fr6 s MET 168 Ca 0.00 -1.59 -0.15 0.00 -1.71 0.00 0.00 55.69 52.24 1fr6 s MET 168 Cb 0.00 -1.42 -0.02 0.00 2.01 0.00 0.00 34.83 35.40 1fr6 s MET 168 CO 0.00 0.27 1.08 0.45 -0.01 0.00 0.00 175.02 176.81 1fr6 s SER 169 N -3.16 5.42 0.22 3.03 0.15 -1.26 -4.69 113.70 113.41 1fr6 s SER 169 Ca 0.23 1.90 -0.08 0.00 0.70 0.00 0.00 55.95 58.70 1fr6 s SER 169 Cb -0.04 -2.54 0.34 0.00 -1.71 0.00 0.00 66.02 62.07 1fr6 s SER 169 CO 0.09 -1.41 1.73 0.22 1.20 0.00 0.00 173.24 175.07 1fr6 h TYR 170 N 0.18 0.39 -0.49 3.44 5.03 -1.91 0.86 116.97 124.48 1fr6 h TYR 170 Ca -0.47 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 60.76 1fr6 h TYR 170 Cb 1.23 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.42 1fr6 h TYR 170 CO 0.57 0.06 -0.16 1.49 -1.32 0.00 0.00 178.16 178.80 1fr6 h GLU 171 N 0.39 0.94 -0.09 1.82 4.81 -1.97 0.28 114.58 120.76 1fr6 h GLU 171 Ca 0.34 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1fr6 h GLU 171 Cb 0.47 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1fr6 h GLU 171 CO -0.36 1.02 0.00 1.49 -0.73 0.00 0.00 179.01 180.44 1fr6 h GLU 172 N 0.83 0.16 0.00 1.92 4.81 -1.75 -0.10 114.58 120.44 1fr6 h GLU 172 Ca 0.12 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1fr6 h GLU 172 Cb 0.71 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1fr6 h GLU 172 CO 0.05 0.40 -0.53 0.00 -0.73 0.00 0.00 179.01 178.21 1fr6 h ALA 173 N 0.75 1.12 0.01 2.92 0.00 -0.84 0.29 119.26 123.51 1fr6 h ALA 173 Ca 0.03 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 1fr6 h ALA 173 Cb 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1fr6 h ALA 173 CO 0.00 0.66 -0.94 1.98 0.00 0.00 0.00 179.25 180.96 1fr6 h MET 174 N 0.00 0.03 -0.09 0.00 1.85 -0.35 0.10 114.93 116.46 1fr6 h MET 174 Ca -0.01 -0.04 -0.06 0.00 -0.61 0.00 0.00 59.70 58.99 1fr6 h MET 174 Cb 0.94 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.98 1fr6 h MET 174 CO 0.07 0.94 -0.18 1.03 -0.40 0.00 0.00 176.91 178.37 1fr6 h SER 175 N 0.01 0.32 0.50 1.39 0.87 -0.77 -2.24 113.55 113.63 1fr6 h SER 175 Ca -0.02 -0.55 -0.02 0.00 -1.23 0.00 0.00 61.79 59.96 1fr6 h SER 175 Cb 1.64 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1fr6 h SER 175 CO 0.13 0.81 -0.24 0.11 -0.53 0.00 0.00 176.83 177.11 1fr6 h LYS 176 N -0.17 -0.64 -0.06 2.24 1.57 -0.42 -2.07 116.57 117.01 1fr6 h LYS 176 Ca 0.00 0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 1fr6 h LYS 176 Cb 0.76 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1fr6 h LYS 176 CO 0.04 -0.35 -0.69 0.00 -0.57 0.00 0.00 179.45 177.89 1fr6 h ARG 177 N -1.04 0.27 0.00 3.15 -0.00 -0.92 -3.37 114.38 112.48 1fr6 h ARG 177 Ca -0.07 -0.22 0.00 0.00 -0.50 0.00 0.00 59.98 59.20 1fr6 h ARG 177 Cb 0.60 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.61 1fr6 h ARG 177 CO 0.11 0.86 -0.35 0.28 0.00 0.00 0.00 179.97 180.87 1fr6 n VAL 178 N -3.82 0.73 -0.21 2.04 0.31 -0.89 -4.55 118.33 111.93 1fr6 n VAL 178 Ca -0.03 0.28 -0.05 0.00 -0.01 0.00 0.00 64.34 64.53 1fr6 n VAL 178 Cb 0.68 -1.73 0.05 0.00 -0.91 0.00 0.00 33.84 31.92 1fr6 n VAL 178 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1fr6 h LEU 179 N -0.35 0.67 0.62 7.52 3.38 -1.52 -2.30 115.31 123.32 1fr6 h LEU 179 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1fr6 h LEU 179 Cb 0.35 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1fr6 h LEU 179 CO 0.00 0.47 -0.30 0.45 0.09 0.00 0.00 178.44 179.16 1fr6 h HIS 180 N 0.79 -0.77 -0.88 1.13 3.86 -1.55 0.22 115.15 117.96 1fr6 h HIS 180 Ca 0.23 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.51 1fr6 h HIS 180 Cb -0.05 0.25 -0.11 0.00 1.06 0.00 0.00 27.41 28.57 1fr6 h HIS 180 CO -0.04 -0.48 -0.51 -2.30 0.86 0.00 0.00 177.93 175.46 1fr6 n PRO 181 N -5.14 -0.38 0.00 2.45 -0.02 -1.21 -0.29 135.00 130.41 1fr6 n PRO 181 Ca -0.10 1.32 0.09 0.00 -2.02 0.00 0.00 63.50 62.80 1fr6 n PRO 181 Cb 0.33 -1.95 0.55 0.00 -0.02 0.00 0.00 33.50 32.41 1fr6 n PRO 181 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1fr6 n LEU 182 N -5.10 0.00 -3.55 2.45 4.77 -0.87 -4.94 117.00 109.76 1fr6 n LEU 182 Ca 0.02 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.80 1fr6 n LEU 182 Cb 0.23 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 1fr6 n LEU 182 CO -0.14 0.00 -0.01 0.29 -1.33 0.00 0.00 177.39 176.20 1fr6 n LYS 183 N -0.87 -4.40 -3.31 3.23 5.02 0.60 -4.93 118.16 113.50 1fr6 n LYS 183 Ca 0.14 0.70 -0.43 0.00 -2.02 0.00 0.00 58.31 56.70 1fr6 n LYS 183 Cb 0.06 -5.34 -0.01 0.00 -0.02 0.00 0.00 35.03 29.72 1fr6 n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1fr6 n LEU 184 N -4.03 5.50 0.24 -0.35 4.77 0.69 -4.87 117.00 118.95 1fr6 n LEU 184 Ca -0.23 -5.10 0.10 0.00 -0.03 0.00 0.00 56.01 50.75 1fr6 n LEU 184 Cb 0.66 -1.37 0.59 0.00 -2.33 0.00 0.00 43.42 40.97 1fr6 n LEU 184 CO 0.65 1.47 0.89 0.00 -1.33 0.00 0.00 177.39 179.06 1fr6 h ALA 185 N 6.24 1.29 -0.46 -1.18 0.00 -1.92 -3.20 119.26 120.03 1fr6 h ALA 185 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1fr6 h ALA 185 Cb 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1fr6 h ALA 185 CO 1.06 0.24 0.02 0.72 0.00 0.00 0.00 179.25 181.29 1fr6 n HIS 186 N -3.74 1.65 -3.84 0.00 8.25 -1.26 -4.97 115.22 111.30 1fr6 n HIS 186 Ca -0.02 -0.84 -0.36 0.00 -0.26 0.00 0.00 57.72 56.25 1fr6 n HIS 186 Cb 0.30 -0.45 -0.12 0.00 1.12 0.00 0.00 29.99 30.85 1fr6 n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1fr6 s THR 187 N -2.82 4.51 0.04 1.59 2.01 -1.21 -4.08 115.64 115.68 1fr6 s THR 187 Ca 0.50 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.42 1fr6 s THR 187 Cb 0.39 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 1fr6 s THR 187 CO 0.13 0.37 -0.11 0.26 -0.69 0.00 0.00 174.62 174.58 1fr6 s TRP 188 N 1.24 0.94 -0.20 4.92 0.52 0.18 -4.98 118.94 121.57 1fr6 s TRP 188 Ca 0.05 -0.41 -0.16 0.00 0.02 0.00 0.00 56.10 55.60 1fr6 s TRP 188 Cb -0.14 -0.55 -0.11 0.00 -1.15 0.00 0.00 33.47 31.52 1fr6 s TRP 188 CO 0.04 -0.01 -0.12 -0.89 0.02 0.00 0.00 176.95 175.98 1fr6 n ILE 189 N 1.67 1.49 -3.91 2.03 5.41 -1.26 -0.78 119.36 124.02 1fr6 n ILE 189 Ca -0.20 -0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.19 1fr6 n ILE 189 Cb 0.55 -2.17 -0.11 0.00 -0.71 0.00 0.00 39.64 37.20 1fr6 n ILE 189 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1fr6 s THR 190 N -2.46 4.47 -0.16 1.39 2.01 -1.26 -4.81 115.64 114.82 1fr6 s THR 190 Ca -0.27 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 1fr6 s THR 190 Cb 0.06 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1fr6 s THR 190 CO 0.43 0.39 0.57 0.54 -0.69 0.00 0.00 174.62 175.86 1fr6 s VAL 191 N 1.07 5.09 0.53 3.82 0.11 -1.26 -5.03 120.40 124.74 1fr6 s VAL 191 Ca 0.04 1.09 -0.22 0.00 -2.93 0.00 0.00 61.98 59.96 1fr6 s VAL 191 Cb -0.14 -3.89 -0.05 0.00 -1.53 0.00 0.00 36.38 30.76 1fr6 s VAL 191 CO 0.03 0.21 1.32 -2.84 -3.33 0.00 0.00 175.10 170.49 1fr6 s PRO 192 N 1.33 3.26 0.47 1.54 0.02 -1.26 -4.80 135.00 135.55 1fr6 s PRO 192 Ca 0.28 2.16 0.23 0.00 0.02 0.00 0.00 61.00 63.68 1fr6 s PRO 192 Cb -0.16 -2.29 1.26 0.00 0.02 0.00 0.00 34.50 33.33 1fr6 s PRO 192 CO 0.11 -1.07 1.89 0.37 -0.33 0.00 0.00 177.00 177.97 1fr6 h GLN 193 N 1.57 0.21 -0.04 5.54 -0.00 -2.01 0.18 115.11 120.57 1fr6 h GLN 193 Ca -0.51 -0.01 -0.10 0.00 -0.00 0.00 0.00 58.65 58.03 1fr6 h GLN 193 Cb 1.29 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.71 1fr6 h GLN 193 CO 0.58 0.14 -0.44 0.66 0.00 0.00 0.00 178.83 179.77 1fr6 h SER 194 N 0.22 0.09 1.14 -0.69 4.64 -2.04 -3.12 113.55 113.79 1fr6 h SER 194 Ca 0.41 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1fr6 h SER 194 Cb 1.29 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1fr6 h SER 194 CO -0.09 0.52 -0.57 -0.33 -0.87 0.00 0.00 176.83 175.49 1fr6 h GLU 195 N 0.07 0.00 -0.99 4.77 4.39 -1.01 -3.40 114.58 118.41 1fr6 h GLU 195 Ca 0.00 0.00 0.30 0.00 0.34 0.00 0.00 59.36 60.01 1fr6 h GLU 195 Cb 0.81 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.32 1fr6 h GLU 195 CO 0.06 0.00 0.54 0.37 -1.16 0.00 0.00 179.01 178.82 1fr6 h GLN 196 N 0.00 0.34 -0.45 2.33 5.75 -1.36 -1.66 115.11 120.06 1fr6 h GLN 196 Ca 0.00 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1fr6 h GLN 196 Cb 0.86 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 1fr6 h GLN 196 CO 0.00 0.22 0.27 1.57 -2.65 0.00 0.00 178.83 178.25 1fr6 h LYS 197 N 0.35 0.60 0.00 1.69 2.10 -1.80 -2.51 116.57 117.00 1fr6 h LYS 197 Ca 0.71 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.31 1fr6 h LYS 197 Cb 1.57 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.77 1fr6 h LYS 197 CO -0.60 0.42 -0.34 -0.25 -2.00 0.00 0.00 179.45 176.69 1fr6 n ASP 198 N -4.45 0.52 -4.56 7.07 8.00 -0.63 -4.76 116.55 117.74 1fr6 n ASP 198 Ca 0.04 0.20 -0.34 0.00 0.71 0.00 0.00 54.79 55.39 1fr6 n ASP 198 Cb 0.07 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 1fr6 n ASP 198 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1fr6 s TYR 199 N -3.08 2.21 1.00 1.24 5.04 -0.95 -0.33 117.35 122.49 1fr6 s TYR 199 Ca 0.10 -0.21 -0.21 0.00 -2.44 0.00 0.00 57.07 54.31 1fr6 s TYR 199 Cb 0.15 -4.37 -0.15 0.00 0.35 0.00 0.00 41.96 37.95 1fr6 s TYR 199 CO 0.65 -1.76 -0.98 0.00 -1.34 0.00 0.00 175.55 172.13 1fr6 n ALA 200 N 11.45 -5.42 -2.71 3.97 0.00 -0.91 -4.90 120.51 121.99 1fr6 n ALA 200 Ca 0.39 -0.95 -0.35 0.00 0.00 0.00 0.00 53.44 52.53 1fr6 n ALA 200 Cb 0.48 -1.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 1fr6 n ALA 200 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1fr6 s TRP 201 N -2.03 3.22 0.05 0.00 0.52 0.25 -4.95 118.94 116.00 1fr6 s TRP 201 Ca 0.40 0.23 -0.19 0.00 0.02 0.00 0.00 56.10 56.55 1fr6 s TRP 201 Cb -0.08 -1.79 -0.06 0.00 -1.15 0.00 0.00 33.47 30.39 1fr6 s TRP 201 CO 0.76 0.51 0.56 0.20 0.02 0.00 0.00 176.95 178.99 1fr6 s GLY 202 N -1.02 2.64 -0.23 0.98 0.00 -0.91 -4.76 107.32 104.02 1fr6 s GLY 202 Ca 0.15 0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.90 1fr6 s GLY 202 CO 0.04 0.51 -0.13 -0.19 0.00 0.00 0.00 173.10 173.33 1fr6 s TYR 203 N -0.87 3.06 -0.10 1.90 1.51 -0.61 0.63 117.35 122.87 1fr6 s TYR 203 Ca 0.29 -2.09 0.04 0.00 -1.01 0.00 0.00 57.07 54.30 1fr6 s TYR 203 Cb -0.19 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 1fr6 s TYR 203 CO 0.18 -0.85 -0.22 0.50 -1.11 0.00 0.00 175.55 174.05 1fr6 s ARG 204 N 1.18 2.83 -0.50 -0.62 3.52 0.84 -4.22 118.95 121.98 1fr6 s ARG 204 Ca -0.05 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.75 1fr6 s ARG 204 Cb -0.18 -2.16 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 1fr6 s ARG 204 CO -0.07 0.15 0.00 0.39 -0.81 0.00 0.00 175.30 174.95 1fr6 n GLU 205 N 3.59 -2.45 -0.71 5.12 -0.58 -1.26 0.66 120.64 125.01 1fr6 n GLU 205 Ca -0.20 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1fr6 n GLU 205 Cb 0.53 -4.78 0.00 0.00 -0.57 0.00 0.00 31.44 26.62 1fr6 n GLU 205 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fr6 n GLY 206 N -0.57 0.59 3.33 0.62 0.00 -1.26 -5.06 105.19 102.83 1fr6 n GLY 206 Ca -0.07 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1fr6 n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr6 s LYS 207 N -1.02 1.29 -0.08 1.61 1.02 0.21 -5.09 119.74 117.70 1fr6 s LYS 207 Ca 0.00 -1.22 -0.25 0.00 0.02 0.00 0.00 55.97 54.52 1fr6 s LYS 207 Cb 0.00 -1.64 -0.03 0.00 -0.52 0.00 0.00 37.83 35.64 1fr6 s LYS 207 CO 0.00 0.39 0.77 -1.25 -0.92 0.00 0.00 175.35 174.34 1fr6 s PRO 208 N -1.87 4.43 0.13 -1.68 0.04 -1.24 -0.11 135.00 134.70 1fr6 s PRO 208 Ca 0.10 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.14 1fr6 s PRO 208 Cb -0.10 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1fr6 s PRO 208 CO 0.05 -0.03 0.00 0.14 0.04 0.00 0.00 177.00 177.20 1fr6 s VAL 209 N 1.10 0.44 0.02 -0.36 -7.23 0.21 -4.94 120.40 109.63 1fr6 s VAL 209 Ca 0.40 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1fr6 s VAL 209 Cb -0.18 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 1fr6 s VAL 209 CO 0.19 -0.60 -0.06 -1.00 -0.31 0.00 0.00 175.10 173.32 1fr6 s HIS 210 N -3.81 0.49 0.55 2.82 3.76 -1.26 -2.13 115.29 115.71 1fr6 s HIS 210 Ca 0.20 -0.29 -0.21 0.00 -0.15 0.00 0.00 55.06 54.61 1fr6 s HIS 210 Cb 0.07 -0.31 -0.05 0.00 1.11 0.00 0.00 32.58 33.40 1fr6 s HIS 210 CO 0.00 -0.05 1.20 1.55 -0.85 0.00 0.00 174.74 176.58 1fr6 n VAL 211 N 2.24 3.69 -4.02 -0.90 3.14 -1.26 -4.99 118.33 116.23 1fr6 n VAL 211 Ca -0.18 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.45 1fr6 n VAL 211 Cb 0.57 -1.44 -0.04 0.00 -1.06 0.00 0.00 33.84 31.86 1fr6 n VAL 211 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1fr6 s SER 212 N -1.01 5.91 0.67 6.55 0.15 -1.26 -5.08 113.70 119.63 1fr6 s SER 212 Ca 0.72 0.00 -0.17 0.00 0.70 0.00 0.00 55.95 57.21 1fr6 s SER 212 Cb -0.43 -1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 62.17 1fr6 s SER 212 CO 0.49 0.05 0.66 -2.65 1.20 0.00 0.00 173.24 172.98 1fr6 n PRO 213 N -0.55 0.47 -3.55 5.44 -0.02 -1.26 -5.00 135.00 130.53 1fr6 n PRO 213 Ca -0.08 0.20 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 1fr6 n PRO 213 Cb 0.55 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1fr6 n PRO 213 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1fr6 s GLY 214 N -1.39 -0.44 -0.19 -1.23 0.00 -1.26 -5.09 107.32 97.72 1fr6 s GLY 214 Ca 0.69 0.55 -0.17 0.00 0.00 0.00 0.00 44.72 45.79 1fr6 s GLY 214 CO 0.54 0.18 0.47 1.20 0.00 0.00 0.00 173.10 175.48 1fr6 s GLN 215 N -3.45 4.20 -0.14 2.90 -1.52 -1.26 -3.63 119.66 116.75 1fr6 s GLN 215 Ca 0.05 0.33 -0.01 0.00 -1.95 0.00 0.00 55.36 53.79 1fr6 s GLN 215 Cb -0.02 -3.54 0.00 0.00 -0.22 0.00 0.00 33.01 29.24 1fr6 s GLN 215 CO -0.07 -0.07 0.12 1.28 -0.25 0.00 0.00 175.29 176.31 1fr6 n LEU 216 N 4.53 -2.16 -0.03 2.90 4.77 -1.26 -4.85 117.00 120.90 1fr6 n LEU 216 Ca -0.06 -0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 1fr6 n LEU 216 Cb 0.51 -0.77 -0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1fr6 n LEU 216 CO 0.41 0.07 -0.05 -2.24 -1.33 0.00 0.00 177.39 174.25 1fr6 h ASP 217 N -0.28 0.00 -1.11 -1.43 -0.00 -1.95 -3.18 116.42 108.47 1fr6 h ASP 217 Ca -0.06 0.00 0.31 0.00 -0.00 0.00 0.00 57.03 57.28 1fr6 h ASP 217 Cb 1.04 0.00 -0.09 0.00 -0.00 0.00 0.00 39.33 40.28 1fr6 h ASP 217 CO 0.06 0.31 0.73 0.00 -0.00 0.00 0.00 179.24 180.34 1fr6 h ALA 218 N -1.46 2.47 0.13 4.15 0.00 -1.90 0.45 119.26 123.11 1fr6 h ALA 218 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.67 1fr6 h ALA 218 Cb 0.08 0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1fr6 h ALA 218 CO 0.00 -0.90 -1.25 0.93 0.00 0.00 0.00 179.25 178.03 1fr6 h GLU 219 N 0.27 0.51 0.01 0.00 3.07 -1.88 -3.37 114.58 113.19 1fr6 h GLU 219 Ca 0.63 -0.72 -0.32 0.00 -0.50 0.00 0.00 59.36 58.44 1fr6 h GLU 219 Cb 1.82 0.25 -0.05 0.00 -0.84 0.00 0.00 28.75 29.93 1fr6 h GLU 219 CO -0.26 1.32 -1.76 0.00 -1.40 0.00 0.00 179.01 176.91 1fr6 n ALA 220 N -2.64 0.94 -1.90 3.43 0.00 -0.77 -4.48 120.51 115.09 1fr6 n ALA 220 Ca -0.12 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1fr6 n ALA 220 Cb 1.00 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1fr6 n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1fr6 n TYR 221 N -4.29 0.00 0.10 0.00 4.11 0.15 -4.18 117.16 113.05 1fr6 n TYR 221 Ca -0.40 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 57.59 1fr6 n TYR 221 Cb 0.78 0.06 0.26 0.00 -0.00 0.00 0.00 39.34 40.44 1fr6 n TYR 221 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1fr6 n GLY 222 N 0.00 1.80 3.79 -7.48 0.00 -0.87 -3.35 105.19 99.07 1fr6 n GLY 222 Ca 0.00 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 1fr6 n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fr6 s VAL 223 N -1.32 4.40 -0.13 1.61 1.01 -1.26 -4.47 120.40 120.24 1fr6 s VAL 223 Ca 0.39 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.98 1fr6 s VAL 223 Cb 0.21 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1fr6 s VAL 223 CO 0.25 0.35 -0.17 -0.54 0.00 0.00 0.00 175.10 175.00 1fr6 s LYS 224 N -1.58 2.48 0.17 2.72 3.01 0.04 -0.45 119.74 126.13 1fr6 s LYS 224 Ca 0.41 -0.65 -0.05 0.00 -1.01 0.00 0.00 55.97 54.67 1fr6 s LYS 224 Cb -0.20 -2.14 -0.03 0.00 -1.01 0.00 0.00 37.83 34.46 1fr6 s LYS 224 CO 0.24 -0.12 0.19 0.45 0.51 0.00 0.00 175.35 176.62 1fr6 s SER 225 N 1.14 0.14 0.30 2.83 0.15 -0.01 -0.65 113.70 117.61 1fr6 s SER 225 Ca -0.02 -1.10 0.05 0.00 0.70 0.00 0.00 55.95 55.59 1fr6 s SER 225 Cb -0.14 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1fr6 s SER 225 CO -0.06 -0.85 0.44 -0.94 1.20 0.00 0.00 173.24 173.03 1fr6 s SER 226 N -3.04 6.12 0.32 5.45 1.04 -1.26 -1.39 113.70 120.94 1fr6 s SER 226 Ca 0.25 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.65 1fr6 s SER 226 Cb 0.05 -1.53 0.56 0.00 0.10 0.00 0.00 66.02 65.20 1fr6 s SER 226 CO 0.04 -0.30 1.96 1.62 0.98 0.00 0.00 173.24 177.54 1fr6 h VAL 227 N 0.97 1.13 -0.06 5.02 3.04 -1.80 0.42 116.25 124.97 1fr6 h VAL 227 Ca -0.48 -0.34 -0.01 0.00 -1.01 0.00 0.00 66.70 64.86 1fr6 h VAL 227 Cb 1.24 0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1fr6 h VAL 227 CO 0.57 0.18 -0.01 0.40 -1.01 0.00 0.00 177.57 177.69 1fr6 h ILE 228 N 0.98 1.29 -0.45 3.17 2.04 -1.96 -0.95 117.51 121.63 1fr6 h ILE 228 Ca 0.31 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1fr6 h ILE 228 Cb 0.03 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1fr6 h ILE 228 CO -0.09 0.25 0.22 0.44 0.00 0.00 0.00 178.15 178.97 1fr6 h ASP 229 N -0.23 0.60 -0.47 1.72 3.45 -1.79 -2.29 116.42 117.41 1fr6 h ASP 229 Ca 0.02 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.33 1fr6 h ASP 229 Cb 0.40 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 1fr6 h ASP 229 CO 0.01 0.56 0.24 0.24 -1.57 0.00 0.00 179.24 178.72 1fr6 h MET 230 N 0.59 0.70 -0.44 3.56 2.86 -0.86 -0.95 114.93 120.39 1fr6 h MET 230 Ca 0.16 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 1fr6 h MET 230 Cb 0.13 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1fr6 h MET 230 CO -0.02 0.54 0.02 1.15 1.06 0.00 0.00 176.91 179.67 1fr6 h THR 231 N 0.70 1.23 -0.22 2.22 2.02 -0.72 -2.29 112.91 115.85 1fr6 h THR 231 Ca 0.18 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1fr6 h THR 231 Cb 0.08 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1fr6 h THR 231 CO -0.02 0.32 0.14 0.03 0.37 0.00 0.00 175.52 176.35 1fr6 h ARG 232 N 0.67 0.29 0.01 6.66 3.08 -0.71 -0.69 114.38 123.70 1fr6 h ARG 232 Ca 0.14 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1fr6 h ARG 232 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1fr6 h ARG 232 CO 0.01 0.21 -0.10 2.35 -1.07 0.00 0.00 179.97 181.37 1fr6 h TRP 233 N 0.29 -0.25 -0.57 3.04 2.91 -0.79 0.20 115.95 120.77 1fr6 h TRP 233 Ca 0.08 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 1fr6 h TRP 233 Cb -0.01 0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 28.72 1fr6 h TRP 233 CO -0.06 -0.15 0.31 0.28 -1.03 0.00 0.00 178.44 177.79 1fr6 h VAL 234 N -0.17 1.19 -0.67 2.65 2.07 -1.36 -1.85 116.25 118.10 1fr6 h VAL 234 Ca 0.04 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1fr6 h VAL 234 Cb 0.22 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1fr6 h VAL 234 CO -0.10 0.21 0.38 1.56 0.02 0.00 0.00 177.57 179.64 1fr6 h GLN 235 N 0.77 0.93 -0.30 1.57 4.20 -0.64 0.69 115.11 122.32 1fr6 h GLN 235 Ca 0.20 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1fr6 h GLN 235 Cb 0.06 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1fr6 h GLN 235 CO -0.03 0.69 0.13 0.00 -0.67 0.00 0.00 178.83 178.94 1fr6 h ALA 236 N 1.19 0.39 -0.21 3.87 0.00 -0.73 -3.06 119.26 120.71 1fr6 h ALA 236 Ca 0.24 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1fr6 h ALA 236 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1fr6 h ALA 236 CO -0.04 -0.02 -0.39 -0.91 0.00 0.00 0.00 179.25 177.89 1fr6 h ASN 237 N 0.34 0.50 0.26 0.00 2.35 -0.95 -2.14 115.58 115.94 1fr6 h ASN 237 Ca 0.10 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.53 1fr6 h ASN 237 Cb 0.16 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1fr6 h ASN 237 CO -0.01 0.84 -0.44 -0.03 -1.65 0.00 0.00 177.43 176.14 1fr6 h MET 238 N 0.40 0.23 -1.70 0.81 4.05 0.43 -3.40 114.93 115.75 1fr6 h MET 238 Ca 0.04 -0.11 -0.25 0.00 -0.28 0.00 0.00 59.70 59.10 1fr6 h MET 238 Cb 0.85 0.00 -0.28 0.00 -0.80 0.00 0.00 31.60 31.37 1fr6 h MET 238 CO 0.07 0.63 -0.59 0.34 0.23 0.00 0.00 176.91 177.59 1fr6 s ASP 239 N -6.88 0.41 0.00 1.39 2.15 -1.16 -4.75 116.67 107.83 1fr6 s ASP 239 Ca -0.04 -0.98 0.13 0.00 0.43 0.00 0.00 52.55 52.09 1fr6 s ASP 239 Cb 0.13 1.01 0.67 0.00 -0.30 0.00 0.00 42.92 44.43 1fr6 s ASP 239 CO 0.77 -0.28 1.27 0.00 -0.17 0.00 0.00 175.17 176.77 1fr6 n ALA 240 N 4.71 1.81 -0.31 3.66 0.00 -0.81 -3.75 120.51 125.82 1fr6 n ALA 240 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1fr6 n ALA 240 Cb 0.49 -1.20 0.19 0.00 0.00 0.00 0.00 19.45 18.92 1fr6 n ALA 240 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1fr6 h SER 241 N 0.00 0.99 0.00 0.00 0.02 -1.95 -2.40 113.55 110.21 1fr6 h SER 241 Ca 0.00 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1fr6 h SER 241 Cb 0.08 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1fr6 h SER 241 CO 0.00 0.69 -0.04 0.06 -1.14 0.00 0.00 176.83 176.41 1fr6 h GLN 242 N 1.16 0.11 -6.67 3.45 3.07 -1.92 -3.42 115.11 110.89 1fr6 h GLN 242 Ca 0.35 -0.01 -0.52 0.00 0.09 0.00 0.00 58.65 58.55 1fr6 h GLN 242 Cb -0.04 -0.02 0.02 0.00 0.08 0.00 0.00 27.48 27.53 1fr6 h GLN 242 CO -0.09 0.16 0.59 0.54 0.09 0.00 0.00 178.83 180.11 1fr6 s VAL 243 N -4.95 3.44 -0.40 1.86 0.11 -0.91 -4.89 120.40 114.67 1fr6 s VAL 243 Ca -0.05 1.21 0.23 0.00 -2.93 0.00 0.00 61.98 60.43 1fr6 s VAL 243 Cb 0.16 -3.77 -0.14 0.00 -1.53 0.00 0.00 36.38 31.10 1fr6 s VAL 243 CO 0.70 0.19 0.90 0.00 -3.33 0.00 0.00 175.10 173.56 1fr6 n GLN 244 N 2.50 0.44 -2.35 1.54 6.02 -1.26 -4.81 117.38 119.47 1fr6 n GLN 244 Ca 0.05 -0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.64 1fr6 n GLN 244 Cb 0.44 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 30.03 1fr6 n GLN 244 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1fr6 s GLU 245 N -3.31 3.06 0.18 -1.09 -6.30 -1.26 -4.92 118.70 105.06 1fr6 s GLU 245 Ca 0.00 -0.32 -0.23 0.00 -2.50 0.00 0.00 54.97 51.92 1fr6 s GLU 245 Cb 0.13 -4.72 0.07 0.00 0.00 0.00 0.00 34.13 29.61 1fr6 s GLU 245 CO 0.82 -2.52 1.45 1.17 0.02 0.00 0.00 175.26 176.20 1fr6 n LYS 246 N 9.10 -0.32 0.16 4.30 4.81 -1.26 -0.91 118.16 134.04 1fr6 n LYS 246 Ca 0.22 1.43 0.01 0.00 -0.87 0.00 0.00 58.31 59.10 1fr6 n LYS 246 Cb 0.50 -2.11 0.31 0.00 0.02 0.00 0.00 35.03 33.75 1fr6 n LYS 246 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1fr6 h THR 247 N 0.00 1.30 -0.24 3.15 1.35 -1.94 -2.96 112.91 113.58 1fr6 h THR 247 Ca 0.23 -1.44 -0.02 0.00 -0.55 0.00 0.00 66.41 64.64 1fr6 h THR 247 Cb 0.47 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 1fr6 h THR 247 CO -0.90 0.41 0.07 0.25 -0.25 0.00 0.00 175.52 175.10 1fr6 h LEU 248 N 0.03 0.34 -0.95 3.87 5.85 -1.38 -1.94 115.31 121.14 1fr6 h LEU 248 Ca -0.00 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1fr6 h LEU 248 Cb 0.75 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1fr6 h LEU 248 CO 0.06 0.45 0.41 -0.61 -0.34 0.00 0.00 178.44 178.41 1fr6 h GLN 249 N 0.21 1.16 0.20 1.25 4.15 -1.30 0.51 115.11 121.29 1fr6 h GLN 249 Ca 0.08 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1fr6 h GLN 249 Cb 0.23 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1fr6 h GLN 249 CO -0.00 0.88 -0.09 1.96 -1.93 0.00 0.00 178.83 179.64 1fr6 h GLN 250 N 1.16 -0.26 -0.65 1.69 4.20 -1.44 0.12 115.11 119.93 1fr6 h GLN 250 Ca 0.28 0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.11 1fr6 h GLN 250 Cb 0.08 0.06 -0.11 0.00 0.30 0.00 0.00 27.48 27.81 1fr6 h GLN 250 CO -0.04 0.13 -0.43 0.78 -0.67 0.00 0.00 178.83 178.60 1fr6 h GLY 251 N -0.75 -0.40 -0.15 3.46 0.00 -1.10 0.43 103.07 104.56 1fr6 h GLY 251 Ca -0.03 0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.89 1fr6 h GLY 251 CO 0.04 -0.16 -0.29 -2.22 0.00 0.00 0.00 176.54 173.92 1fr6 h ILE 252 N -0.18 0.00 -1.00 2.60 2.04 0.14 -0.98 117.51 120.12 1fr6 h ILE 252 Ca 0.20 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.27 1fr6 h ILE 252 Cb 0.56 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.53 1fr6 h ILE 252 CO -0.73 0.00 0.61 -0.33 0.00 0.00 0.00 178.15 177.70 1fr6 h GLU 253 N -0.26 0.64 -0.36 2.37 3.07 0.21 -2.14 114.58 118.11 1fr6 h GLU 253 Ca 0.03 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 1fr6 h GLU 253 Cb 0.33 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1fr6 h GLU 253 CO -0.28 0.43 -0.05 -0.07 -1.40 0.00 0.00 179.01 177.64 1fr6 h LEU 254 N 0.66 0.67 -1.92 1.33 3.38 0.17 -3.14 115.31 116.48 1fr6 h LEU 254 Ca 0.60 -0.34 0.27 0.00 0.09 0.00 0.00 57.88 58.49 1fr6 h LEU 254 Cb 1.06 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1fr6 h LEU 254 CO -0.40 0.86 0.74 0.00 0.09 0.00 0.00 178.44 179.74 1fr6 h ALA 255 N 0.84 2.83 -0.71 1.53 0.00 -0.49 0.20 119.26 123.45 1fr6 h ALA 255 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1fr6 h ALA 255 Cb 0.55 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1fr6 h ALA 255 CO 0.03 -1.23 0.00 1.04 0.00 0.00 0.00 179.25 179.09 1fr6 n GLN 256 N -4.02 2.74 -2.64 0.00 6.02 -1.19 0.57 117.38 118.87 1fr6 n GLN 256 Ca 0.20 -2.59 -0.28 0.00 -0.01 0.00 0.00 57.00 54.32 1fr6 n GLN 256 Cb 1.06 -1.58 -0.01 0.00 1.02 0.00 0.00 30.24 30.74 1fr6 n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1fr6 s SER 257 N -0.99 6.31 -0.33 1.08 0.01 0.69 -4.23 113.70 116.24 1fr6 s SER 257 Ca 0.48 0.99 -0.16 0.00 1.31 0.00 0.00 55.95 58.57 1fr6 s SER 257 Cb 0.25 -2.27 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 1fr6 s SER 257 CO 0.32 -0.56 0.41 -0.13 0.41 0.00 0.00 173.24 173.69 1fr6 s ARG 258 N -4.59 3.68 -0.01 12.44 0.52 0.28 -4.22 118.95 127.04 1fr6 s ARG 258 Ca 0.48 -0.23 0.19 0.00 -0.52 0.00 0.00 55.73 55.66 1fr6 s ARG 258 Cb -0.10 -3.77 -0.26 0.00 0.52 0.00 0.00 34.95 31.33 1fr6 s ARG 258 CO 0.43 -0.51 0.61 0.66 0.02 0.00 0.00 175.30 176.51 1fr6 n TYR 259 N 5.49 0.00 -3.50 -0.53 4.02 -0.16 -0.97 117.16 121.50 1fr6 n TYR 259 Ca -0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.65 1fr6 n TYR 259 Cb 0.49 -0.25 -0.05 0.00 -0.02 0.00 0.00 39.34 39.52 1fr6 n TYR 259 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1fr6 s TRP 260 N -3.12 -0.63 -0.09 -0.72 0.52 -1.25 -2.29 118.94 111.37 1fr6 s TRP 260 Ca -0.01 0.94 0.03 0.00 0.02 0.00 0.00 56.10 57.08 1fr6 s TRP 260 Cb 0.13 0.44 0.01 0.00 -1.15 0.00 0.00 33.47 32.90 1fr6 s TRP 260 CO 0.81 -0.66 -0.17 0.50 0.02 0.00 0.00 176.95 177.44 1fr6 s ARG 261 N -1.77 2.32 -0.55 4.98 3.52 0.72 -1.27 118.95 126.90 1fr6 s ARG 261 Ca -0.08 -0.62 0.06 0.00 -0.13 0.00 0.00 55.73 54.96 1fr6 s ARG 261 Cb -0.00 -1.85 0.23 0.00 -1.56 0.00 0.00 34.95 31.77 1fr6 s ARG 261 CO 0.05 0.06 0.60 -0.89 -0.81 0.00 0.00 175.30 174.31 1fr6 n ILE 262 N 3.80 0.97 0.00 4.11 -0.00 -0.07 -0.93 119.36 127.24 1fr6 n ILE 262 Ca -0.21 -4.62 0.00 0.00 -0.00 0.00 0.00 62.75 57.92 1fr6 n ILE 262 Cb 0.52 -2.02 0.00 0.00 -0.00 0.00 0.00 39.64 38.14 1fr6 n ILE 262 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1fr6 n GLY 263 N 1.40 1.68 0.07 7.39 0.00 -1.26 -3.14 105.19 111.33 1fr6 n GLY 263 Ca 0.26 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1fr6 n GLY 263 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fr6 n ASP 264 N 7.89 1.04 -4.80 1.61 10.43 -1.26 -4.93 116.55 126.53 1fr6 n ASP 264 Ca 0.00 -0.92 -0.30 0.00 2.57 0.00 0.00 54.79 56.13 1fr6 n ASP 264 Cb 0.00 0.76 -0.06 0.00 1.84 0.00 0.00 41.12 43.66 1fr6 n ASP 264 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1fr6 s MET 265 N -2.91 2.96 -0.07 -1.24 1.75 -1.19 -4.30 119.30 114.31 1fr6 s MET 265 Ca 0.11 -0.66 0.04 0.00 -1.25 0.00 0.00 55.69 53.92 1fr6 s MET 265 Cb 0.17 -2.77 0.00 0.00 2.84 0.00 0.00 34.83 35.07 1fr6 s MET 265 CO 0.79 0.57 -0.19 0.71 -0.65 0.00 0.00 175.02 176.25 1fr6 s TYR 266 N -1.42 1.95 -0.16 4.11 1.51 0.60 -0.89 117.35 123.05 1fr6 s TYR 266 Ca 0.30 -0.67 -0.22 0.00 -1.01 0.00 0.00 57.07 55.47 1fr6 s TYR 266 Cb -0.12 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.37 1fr6 s TYR 266 CO 0.23 -0.27 0.66 -1.14 -1.11 0.00 0.00 175.55 173.92 1fr6 s GLN 267 N 0.25 4.28 0.00 -0.62 2.00 -0.40 -1.91 119.66 123.26 1fr6 s GLN 267 Ca -0.10 0.71 0.00 0.00 -2.00 0.00 0.00 55.36 53.96 1fr6 s GLN 267 Cb -0.15 -3.54 0.00 0.00 0.80 0.00 0.00 33.01 30.13 1fr6 s GLN 267 CO 0.04 -0.16 0.00 0.41 -0.50 0.00 0.00 175.29 175.09 1fr6 n GLY 268 N 3.57 3.12 3.32 2.59 0.00 -1.02 -0.99 105.19 115.78 1fr6 n GLY 268 Ca -0.01 -2.01 -0.46 0.00 0.00 0.00 0.00 46.02 43.54 1fr6 n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fr6 s LEU 269 N 0.00 6.36 0.00 0.99 1.43 0.19 -4.66 118.68 123.00 1fr6 s LEU 269 Ca 0.00 -2.13 0.00 0.00 -1.03 0.00 0.00 54.13 50.97 1fr6 s LEU 269 Cb 0.00 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1fr6 s LEU 269 CO 0.00 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.43 1fr6 n GLY 270 N 4.76 2.06 3.38 -3.19 0.00 -1.26 -4.38 105.19 106.56 1fr6 n GLY 270 Ca -0.03 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1fr6 n GLY 270 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fr6 n TRP 271 N 0.00 -1.40 -4.00 1.61 7.02 -1.26 -4.76 117.44 114.65 1fr6 n TRP 271 Ca 0.00 0.20 -0.10 0.00 -1.02 0.00 0.00 57.50 56.58 1fr6 n TRP 271 Cb 0.00 -1.72 -0.11 0.00 -2.42 0.00 0.00 31.31 27.06 1fr6 n TRP 271 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1fr6 s GLU 272 N -3.61 0.37 -0.01 -0.99 2.02 -1.06 -2.42 118.70 113.00 1fr6 s GLU 272 Ca 0.57 -0.66 -0.14 0.00 0.02 0.00 0.00 54.97 54.76 1fr6 s GLU 272 Cb -0.18 0.02 0.02 0.00 0.10 0.00 0.00 34.13 34.09 1fr6 s GLU 272 CO 0.67 -0.03 0.29 -1.64 0.02 0.00 0.00 175.26 174.57 1fr6 s MET 273 N -1.57 0.66 0.09 1.61 -1.94 -0.80 -0.99 119.30 116.36 1fr6 s MET 273 Ca -0.14 -0.25 0.03 0.00 -1.71 0.00 0.00 55.69 53.61 1fr6 s MET 273 Cb -0.09 0.29 -0.04 0.00 2.01 0.00 0.00 34.83 37.00 1fr6 s MET 273 CO -0.01 -0.18 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.22 1fr6 s LEU 274 N -1.42 2.41 0.27 -0.03 1.02 -0.73 -0.29 118.68 119.91 1fr6 s LEU 274 Ca -0.13 -0.83 -0.29 0.00 0.02 0.00 0.00 54.13 52.90 1fr6 s LEU 274 Cb -0.05 -0.18 -0.10 0.00 0.02 0.00 0.00 46.19 45.88 1fr6 s LEU 274 CO 0.03 -0.33 1.26 0.20 0.02 0.00 0.00 176.35 177.53 1fr6 s ASN 275 N -2.49 6.93 -0.15 2.29 0.02 -1.26 0.49 114.94 120.77 1fr6 s ASN 275 Ca 0.05 2.49 -0.06 0.00 -1.02 0.00 0.00 52.86 54.31 1fr6 s ASN 275 Cb -0.01 -2.63 -0.04 0.00 0.02 0.00 0.00 41.25 38.59 1fr6 s ASN 275 CO -0.02 -0.45 0.08 0.86 0.02 0.00 0.00 177.10 177.59 1fr6 s TRP 276 N -0.67 3.35 0.73 2.20 -0.00 -0.68 -3.45 118.94 120.41 1fr6 s TRP 276 Ca 0.51 0.26 -0.11 0.00 -0.00 0.00 0.00 56.10 56.76 1fr6 s TRP 276 Cb -0.37 -1.99 0.03 0.00 -0.00 0.00 0.00 33.47 31.14 1fr6 s TRP 276 CO 0.45 0.41 1.07 -1.25 -0.00 0.00 0.00 176.95 177.63 1fr6 s PRO 277 N -0.31 2.66 0.06 5.86 0.04 -1.26 -4.61 135.00 137.44 1fr6 s PRO 277 Ca 0.09 0.96 0.07 0.00 0.04 0.00 0.00 61.00 62.17 1fr6 s PRO 277 Cb -0.12 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1fr6 s PRO 277 CO 0.01 -1.30 -0.20 0.54 0.04 0.00 0.00 177.00 176.09 1fr6 s VAL 278 N -3.03 1.66 -0.07 -0.36 0.11 -1.22 -5.07 120.40 112.41 1fr6 s VAL 278 Ca 0.59 -1.30 -0.26 0.00 -2.93 0.00 0.00 61.98 58.09 1fr6 s VAL 278 Cb -0.15 -1.46 -0.03 0.00 -1.53 0.00 0.00 36.38 33.21 1fr6 s VAL 278 CO 0.55 0.11 0.82 -0.75 -3.33 0.00 0.00 175.10 172.50 1fr6 s LYS 279 N -1.40 4.44 0.13 1.54 2.47 -1.26 -5.01 119.74 120.65 1fr6 s LYS 279 Ca 0.07 1.07 -0.28 0.00 -1.56 0.00 0.00 55.97 55.28 1fr6 s LYS 279 Cb -0.09 -3.48 -0.04 0.00 -1.46 0.00 0.00 37.83 32.76 1fr6 s LYS 279 CO 0.03 -0.07 1.59 0.00 0.16 0.00 0.00 175.35 177.05 1fr6 h ALA 280 N 6.92 -0.50 -0.98 3.13 0.00 -2.01 -1.12 119.26 124.70 1fr6 h ALA 280 Ca -0.38 0.00 0.33 0.00 0.00 0.00 0.00 54.91 54.87 1fr6 h ALA 280 Cb 1.19 0.72 -0.16 0.00 0.00 0.00 0.00 17.79 19.53 1fr6 h ALA 280 CO 0.78 -0.87 0.44 0.22 0.00 0.00 0.00 179.25 179.81 1fr6 h ASP 281 N -0.45 0.26 0.25 0.00 1.82 -1.98 0.35 116.42 116.67 1fr6 h ASP 281 Ca 0.09 0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 56.95 1fr6 h ASP 281 Cb 0.60 0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.82 1fr6 h ASP 281 CO -0.38 -0.25 -0.44 0.28 -1.61 0.00 0.00 179.24 176.84 1fr6 h SER 282 N 0.18 -1.26 0.21 2.28 0.02 -1.61 0.11 113.55 113.47 1fr6 h SER 282 Ca 0.72 0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 61.67 1fr6 h SER 282 Cb 1.69 0.44 -0.01 0.00 0.14 0.00 0.00 62.40 64.66 1fr6 h SER 282 CO -0.70 -0.51 -0.46 0.16 -1.14 0.00 0.00 176.83 174.17 1fr6 h ILE 283 N -0.74 1.33 0.09 3.27 3.07 -1.34 -1.22 117.51 121.98 1fr6 h ILE 283 Ca -0.03 -1.66 -0.00 0.00 1.55 0.00 0.00 64.86 64.72 1fr6 h ILE 283 Cb 0.68 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 1fr6 h ILE 283 CO -0.15 0.50 -0.04 0.40 -1.05 0.00 0.00 178.15 177.80 1fr6 h ILE 284 N 0.25 1.14 -0.92 0.16 2.04 -0.14 -3.03 117.51 117.00 1fr6 h ILE 284 Ca 0.02 -1.26 0.15 0.00 1.00 0.00 0.00 64.86 64.76 1fr6 h ILE 284 Cb 0.92 1.89 -0.08 0.00 -0.74 0.00 0.00 36.82 38.82 1fr6 h ILE 284 CO 0.08 0.29 0.59 0.28 0.00 0.00 0.00 178.15 179.38 1fr6 h SER 285 N -0.75 0.70 0.59 1.72 0.02 -0.84 -2.80 113.55 112.20 1fr6 h SER 285 Ca -0.01 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 1fr6 h SER 285 Cb 0.57 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1fr6 h SER 285 CO 0.02 0.35 -0.45 1.23 -1.14 0.00 0.00 176.83 176.84 1fr6 h GLY 286 N 0.74 0.00 1.34 -3.77 0.00 -1.26 -3.14 103.07 96.98 1fr6 h GLY 286 Ca 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.67 1fr6 h GLY 286 CO -0.23 0.00 -0.31 1.76 0.00 0.00 0.00 176.54 177.76 1fr6 h SER 287 N 0.00 0.77 -2.68 0.19 0.02 -1.37 -3.01 113.55 107.48 1fr6 h SER 287 Ca -0.00 -0.31 -0.52 0.00 -0.84 0.00 0.00 61.79 60.11 1fr6 h SER 287 Cb 0.87 -0.21 0.05 0.00 0.14 0.00 0.00 62.40 63.25 1fr6 h SER 287 CO 0.06 1.02 1.00 -0.62 -1.14 0.00 0.00 176.83 177.15 1fr6 s ASP 288 N -6.80 6.43 0.50 3.07 2.15 -1.19 -4.54 116.67 116.29 1fr6 s ASP 288 Ca -0.09 2.80 0.33 0.00 0.43 0.00 0.00 52.55 56.02 1fr6 s ASP 288 Cb 0.12 -2.59 1.45 0.00 -0.30 0.00 0.00 42.92 41.60 1fr6 s ASP 288 CO 0.84 -0.95 1.77 0.77 -0.17 0.00 0.00 175.17 177.43 1fr6 h SER 289 N 7.07 0.13 -0.92 -0.34 4.64 -1.87 0.56 113.55 122.81 1fr6 h SER 289 Ca -0.43 0.03 0.16 0.00 -0.47 0.00 0.00 61.79 61.08 1fr6 h SER 289 Cb 1.20 0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 63.21 1fr6 h SER 289 CO 0.95 0.01 0.52 0.50 -0.87 0.00 0.00 176.83 177.93 1fr6 h LYS 290 N 0.10 0.69 0.00 4.77 3.64 -1.90 -1.10 116.57 122.77 1fr6 h LYS 290 Ca 0.62 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.65 1fr6 h LYS 290 Cb 2.21 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 33.83 1fr6 h LYS 290 CO -0.11 0.45 -2.00 0.28 -2.27 0.00 0.00 179.45 175.81 1fr6 n VAL 291 N -4.81 1.34 -0.34 2.00 0.31 0.25 -4.31 118.33 112.77 1fr6 n VAL 291 Ca 0.20 -0.22 0.13 0.00 -0.01 0.00 0.00 64.34 64.43 1fr6 n VAL 291 Cb 0.48 -1.92 0.25 0.00 -0.91 0.00 0.00 33.84 31.75 1fr6 n VAL 291 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fr6 n ALA 292 N -4.12 0.44 0.70 3.52 0.00 0.17 -1.20 120.51 120.01 1fr6 n ALA 292 Ca -0.39 1.04 0.12 0.00 0.00 0.00 0.00 53.44 54.21 1fr6 n ALA 292 Cb 0.74 -0.73 0.24 0.00 0.00 0.00 0.00 19.45 19.70 1fr6 n ALA 292 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fr6 n LEU 293 N -5.47 2.93 -4.90 0.00 4.32 -0.42 -4.70 117.00 108.76 1fr6 n LEU 293 Ca 0.21 -1.19 -0.28 0.00 -0.02 0.00 0.00 56.01 54.73 1fr6 n LEU 293 Cb 0.69 -0.16 -0.02 0.00 -1.62 0.00 0.00 43.42 42.31 1fr6 n LEU 293 CO -0.08 0.59 0.33 0.00 -1.22 0.00 0.00 177.39 177.01 1fr6 s ALA 294 N -1.69 3.50 -0.38 -1.18 0.00 -0.34 -4.81 121.76 116.86 1fr6 s ALA 294 Ca 0.35 -0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.56 1fr6 s ALA 294 Cb 0.21 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.88 1fr6 s ALA 294 CO 0.30 0.01 1.16 0.00 0.00 0.00 0.00 175.76 177.23 1fr6 s ALA 295 N -2.33 3.33 -0.04 0.00 0.00 -1.26 -4.69 121.76 116.77 1fr6 s ALA 295 Ca 0.47 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.30 1fr6 s ALA 295 Cb -0.10 -3.78 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 1fr6 s ALA 295 CO 0.34 -1.86 -0.20 -0.51 0.00 0.00 0.00 175.76 173.53 1fr6 s LEU 296 N 4.16 1.99 0.23 0.00 1.43 -0.99 -4.98 118.68 120.52 1fr6 s LEU 296 Ca 0.49 -0.41 -0.31 0.00 -1.03 0.00 0.00 54.13 52.87 1fr6 s LEU 296 Cb -0.11 -1.11 -0.12 0.00 0.03 0.00 0.00 46.19 44.88 1fr6 s LEU 296 CO 0.23 0.21 1.68 -2.16 0.23 0.00 0.00 176.35 176.54 1fr6 s PRO 297 N -0.16 4.13 -0.22 1.29 0.04 -1.26 -1.78 135.00 137.04 1fr6 s PRO 297 Ca -0.01 2.58 -0.10 0.00 0.04 0.00 0.00 61.00 63.51 1fr6 s PRO 297 Cb -0.11 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 1fr6 s PRO 297 CO 0.02 -0.71 0.15 0.00 0.04 0.00 0.00 177.00 176.50 1fr6 s ALA 298 N 0.88 3.64 -0.24 8.56 0.00 0.37 -4.66 121.76 130.32 1fr6 s ALA 298 Ca 0.71 -0.80 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 1fr6 s ALA 298 Cb -0.49 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 1fr6 s ALA 298 CO 0.36 -0.05 0.01 0.08 0.00 0.00 0.00 175.76 176.16 1fr6 s VAL 299 N 0.78 3.83 0.57 0.00 1.01 -0.11 -4.61 120.40 121.86 1fr6 s VAL 299 Ca 0.08 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 1fr6 s VAL 299 Cb -0.13 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1fr6 s VAL 299 CO 0.02 0.37 1.31 -0.70 0.00 0.00 0.00 175.10 176.09 1fr6 s GLU 300 N 1.54 3.04 -0.32 2.72 2.12 -1.26 -0.20 118.70 126.34 1fr6 s GLU 300 Ca 0.06 2.10 0.02 0.00 0.36 0.00 0.00 54.97 57.51 1fr6 s GLU 300 Cb -0.15 -2.14 0.10 0.00 0.26 0.00 0.00 34.13 32.21 1fr6 s GLU 300 CO 0.00 -1.22 0.07 0.08 -0.54 0.00 0.00 175.26 173.65 1fr6 s VAL 301 N -1.38 1.58 -0.09 3.70 1.01 -0.97 -4.80 120.40 119.45 1fr6 s VAL 301 Ca 0.74 -1.86 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 1fr6 s VAL 301 Cb -0.37 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 33.87 1fr6 s VAL 301 CO 0.43 -0.62 0.05 0.21 0.00 0.00 0.00 175.10 175.16 1fr6 s ASN 302 N 1.26 1.70 0.68 3.32 3.04 -1.26 -2.61 114.94 121.06 1fr6 s ASN 302 Ca 0.10 -0.20 -0.16 0.00 0.04 0.00 0.00 52.86 52.64 1fr6 s ASN 302 Cb -0.18 -0.29 0.01 0.00 -1.54 0.00 0.00 41.25 39.25 1fr6 s ASN 302 CO -0.16 -0.26 1.18 -2.16 -3.04 0.00 0.00 177.10 172.66 1fr6 s PRO 303 N 2.07 2.50 0.34 0.43 0.04 -1.26 -5.07 135.00 134.05 1fr6 s PRO 303 Ca 0.04 1.67 -0.25 0.00 0.04 0.00 0.00 61.00 62.49 1fr6 s PRO 303 Cb -0.13 -1.89 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 1fr6 s PRO 303 CO -0.05 -1.53 0.72 -2.30 0.04 0.00 0.00 177.00 173.88 1fr6 n PRO 304 N -2.39 0.78 -2.69 0.56 -0.02 -1.07 -4.91 135.00 125.25 1fr6 n PRO 304 Ca 0.13 0.28 -0.39 0.00 -2.02 0.00 0.00 63.50 61.49 1fr6 n PRO 304 Cb 0.51 -1.56 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 1fr6 n PRO 304 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fr6 s ALA 305 N -1.23 3.30 1.16 3.55 0.00 -0.15 -4.82 121.76 123.57 1fr6 s ALA 305 Ca 0.62 0.66 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 1fr6 s ALA 305 Cb -0.69 -3.23 0.27 0.00 0.00 0.00 0.00 23.12 19.47 1fr6 s ALA 305 CO 0.58 0.10 1.04 -2.14 0.00 0.00 0.00 175.76 175.34 1fr6 s PRO 306 N -1.53 -0.87 0.39 0.00 0.02 -1.26 -0.56 135.00 131.19 1fr6 s PRO 306 Ca 0.45 0.60 -0.24 0.00 0.02 0.00 0.00 61.00 61.84 1fr6 s PRO 306 Cb -0.25 -1.58 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 1fr6 s PRO 306 CO 0.32 -3.63 0.98 0.00 -0.33 0.00 0.00 177.00 174.34 1fr6 s ALA 307 N -2.61 3.10 0.03 -1.55 0.00 -1.26 -4.45 121.76 115.02 1fr6 s ALA 307 Ca 0.68 0.54 0.06 0.00 0.00 0.00 0.00 51.96 53.24 1fr6 s ALA 307 Cb -0.21 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1fr6 s ALA 307 CO 0.62 0.02 -0.18 0.14 0.00 0.00 0.00 175.76 176.36 1fr6 s VAL 308 N -1.81 1.43 0.15 0.00 -7.23 -1.26 -5.07 120.40 106.61 1fr6 s VAL 308 Ca 0.57 -1.03 -0.16 0.00 -1.81 0.00 0.00 61.98 59.54 1fr6 s VAL 308 Cb -0.17 -1.24 0.01 0.00 0.56 0.00 0.00 36.38 35.54 1fr6 s VAL 308 CO 0.21 0.19 1.77 0.11 -0.31 0.00 0.00 175.10 177.07 1fr6 h LYS 309 N 5.08 0.33 -5.61 4.82 1.79 -1.98 -3.34 116.57 117.66 1fr6 h LYS 309 Ca -0.40 -0.02 -0.69 0.00 -2.18 0.00 0.00 60.65 57.36 1fr6 h LYS 309 Cb 1.16 -0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 31.64 1fr6 h LYS 309 CO 0.45 0.22 2.01 0.00 -1.08 0.00 0.00 179.45 181.05 1fr6 s ALA 310 N -6.16 3.47 -0.00 3.86 0.00 -1.26 0.80 121.76 122.46 1fr6 s ALA 310 Ca -0.13 -3.02 -0.13 0.00 0.00 0.00 0.00 51.96 48.68 1fr6 s ALA 310 Cb 0.11 -4.53 0.02 0.00 0.00 0.00 0.00 23.12 18.72 1fr6 s ALA 310 CO 0.71 -3.18 0.27 -1.12 0.00 0.00 0.00 175.76 172.44 1fr6 s SER 311 N 3.92 -0.14 -0.37 0.00 0.01 -1.26 -1.69 113.70 114.18 1fr6 s SER 311 Ca 0.51 -0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.75 1fr6 s SER 311 Cb 0.02 0.29 0.09 0.00 0.21 0.00 0.00 66.02 66.64 1fr6 s SER 311 CO 0.06 -0.45 0.12 0.86 0.41 0.00 0.00 173.24 174.24 1fr6 s TRP 312 N -1.48 3.52 -0.21 2.43 -0.11 0.18 -3.99 118.94 119.28 1fr6 s TRP 312 Ca -0.13 -2.34 -0.09 0.00 1.22 0.00 0.00 56.10 54.76 1fr6 s TRP 312 Cb -0.05 -2.85 -0.05 0.00 -1.50 0.00 0.00 33.47 29.03 1fr6 s TRP 312 CO 0.03 -0.92 0.11 0.08 -4.62 0.00 0.00 176.95 171.63 1fr6 s VAL 313 N 1.14 5.09 0.36 5.86 1.01 0.69 -1.77 120.40 132.78 1fr6 s VAL 313 Ca 0.05 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.95 1fr6 s VAL 313 Cb -0.21 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.87 1fr6 s VAL 313 CO -0.04 0.40 0.74 -1.38 0.00 0.00 0.00 175.10 174.83 1fr6 s HIS 314 N 0.71 0.13 -0.28 5.22 -3.43 -0.16 0.66 115.29 118.13 1fr6 s HIS 314 Ca 0.06 -0.72 -0.16 0.00 -0.80 0.00 0.00 55.06 53.45 1fr6 s HIS 314 Cb -0.13 0.73 0.09 0.00 -1.43 0.00 0.00 32.58 31.84 1fr6 s HIS 314 CO 0.02 -1.45 0.73 0.21 -2.00 0.00 0.00 174.74 172.24 1fr6 s LYS 315 N -2.76 0.66 0.47 -0.38 2.47 0.32 -2.57 119.74 117.94 1fr6 s LYS 315 Ca 0.16 1.17 0.02 0.00 -1.56 0.00 0.00 55.97 55.76 1fr6 s LYS 315 Cb -0.05 0.18 0.01 0.00 -1.46 0.00 0.00 37.83 36.51 1fr6 s LYS 315 CO 0.11 -0.14 0.67 0.95 0.16 0.00 0.00 175.35 177.09 1fr6 s THR 316 N 1.68 3.41 -0.13 3.43 -4.23 -1.26 -2.89 115.64 115.66 1fr6 s THR 316 Ca -0.10 -0.69 -0.29 0.00 -1.18 0.00 0.00 61.69 59.43 1fr6 s THR 316 Cb -0.05 -3.24 0.09 0.00 1.34 0.00 0.00 72.50 70.63 1fr6 s THR 316 CO -0.19 -0.15 0.78 -0.83 -0.54 0.00 0.00 174.62 173.69 1fr6 s GLY 317 N -4.30 -0.47 0.25 3.99 0.00 -1.08 -3.88 107.32 101.82 1fr6 s GLY 317 Ca 0.52 1.70 -0.05 0.00 0.00 0.00 0.00 44.72 46.89 1fr6 s GLY 317 CO 0.36 1.18 0.31 -0.56 0.00 0.00 0.00 173.10 174.39 1fr6 s SER 318 N -0.80 0.29 0.00 1.64 0.01 -1.26 -1.64 113.70 111.94 1fr6 s SER 318 Ca -0.06 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 55.93 1fr6 s SER 318 Cb -0.01 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1fr6 s SER 318 CO 0.05 -1.03 0.00 0.35 0.41 0.00 0.00 173.24 173.03 1fr6 n THR 319 N -0.38 0.00 0.26 1.44 -2.24 -0.78 -4.26 114.28 108.32 1fr6 n THR 319 Ca 0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1fr6 n THR 319 Cb 0.64 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.80 1fr6 n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1fr6 h GLY 320 N 0.00 -0.73 -0.72 3.38 0.00 -1.98 -3.36 103.07 99.66 1fr6 h GLY 320 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1fr6 h GLY 320 CO 0.00 -0.26 -0.38 0.61 0.00 0.00 0.00 176.54 176.50 1fr6 n GLY 321 N -0.30 -0.08 3.19 4.60 0.00 -1.26 -4.42 105.19 106.92 1fr6 n GLY 321 Ca -0.10 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 1fr6 n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fr6 s PHE 322 N -2.45 1.00 -0.10 1.61 0.08 -1.26 -2.21 117.98 114.66 1fr6 s PHE 322 Ca 0.21 -1.15 -0.04 0.00 0.12 0.00 0.00 56.93 56.07 1fr6 s PHE 322 Cb 0.19 -0.57 0.05 0.00 -0.57 0.00 0.00 43.02 42.12 1fr6 s PHE 322 CO 0.54 -0.40 0.20 0.20 -0.10 0.00 0.00 175.22 175.66 1fr6 s GLY 323 N -3.10 -0.06 0.23 4.36 0.00 -0.96 -1.87 107.32 105.92 1fr6 s GLY 323 Ca 0.24 0.80 0.07 0.00 0.00 0.00 0.00 44.72 45.83 1fr6 s GLY 323 CO 0.03 1.48 -0.11 -1.35 0.00 0.00 0.00 173.10 173.15 1fr6 s SER 324 N 1.79 2.59 -0.23 1.64 1.04 -0.65 -2.09 113.70 117.79 1fr6 s SER 324 Ca -0.04 -1.09 -0.17 0.00 0.48 0.00 0.00 55.95 55.14 1fr6 s SER 324 Cb -0.11 -0.14 0.06 0.00 0.10 0.00 0.00 66.02 65.93 1fr6 s SER 324 CO -0.07 -0.25 0.58 -0.47 0.98 0.00 0.00 173.24 174.01 1fr6 s TYR 325 N -3.01 -0.75 -0.11 5.02 6.04 0.65 -2.62 117.35 122.56 1fr6 s TYR 325 Ca 0.25 1.67 -0.04 0.00 0.04 0.00 0.00 57.07 58.99 1fr6 s TYR 325 Cb 0.01 0.34 0.06 0.00 -1.04 0.00 0.00 41.96 41.33 1fr6 s TYR 325 CO 0.09 -0.38 0.19 0.08 -1.54 0.00 0.00 175.55 173.99 1fr6 s VAL 326 N 0.88 -0.31 0.03 3.14 1.01 -1.14 0.29 120.40 124.30 1fr6 s VAL 326 Ca -0.05 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1fr6 s VAL 326 Cb -0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1fr6 s VAL 326 CO -0.07 0.10 -0.06 0.00 0.00 0.00 0.00 175.10 175.07 1fr6 s ALA 327 N 2.33 0.42 -0.04 5.51 0.00 -0.91 -0.52 121.76 128.55 1fr6 s ALA 327 Ca 0.03 -0.56 -0.21 0.00 0.00 0.00 0.00 51.96 51.22 1fr6 s ALA 327 Cb -0.12 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.06 1fr6 s ALA 327 CO -0.07 -0.02 0.45 -0.59 0.00 0.00 0.00 175.76 175.54 1fr6 s PHE 328 N -1.02 -0.38 -0.52 0.00 -0.71 0.21 -0.62 117.98 114.94 1fr6 s PHE 328 Ca -0.08 0.66 0.03 0.00 -1.04 0.00 0.00 56.93 56.50 1fr6 s PHE 328 Cb -0.08 0.21 0.15 0.00 -1.21 0.00 0.00 43.02 42.10 1fr6 s PHE 328 CO -0.00 -0.46 0.32 0.08 -1.34 0.00 0.00 175.22 173.83 1fr6 s VAL 329 N -1.14 1.85 0.31 -2.49 1.01 0.31 -0.22 120.40 120.03 1fr6 s VAL 329 Ca -0.12 -3.16 0.06 0.00 0.00 0.00 0.00 61.98 58.77 1fr6 s VAL 329 Cb -0.03 -2.26 0.35 0.00 0.00 0.00 0.00 36.38 34.43 1fr6 s VAL 329 CO 0.06 -0.96 1.61 -0.65 0.00 0.00 0.00 175.10 175.17 1fr6 h PRO 330 N 6.18 0.12 -0.53 2.72 0.11 -1.69 -0.47 132.00 138.44 1fr6 h PRO 330 Ca 0.06 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.26 1fr6 h PRO 330 Cb 0.87 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 31.85 1fr6 h PRO 330 CO 0.56 0.08 -0.30 1.49 -0.21 0.00 0.00 178.00 179.62 1fr6 h GLU 331 N 0.12 -0.16 -0.35 1.05 4.57 0.10 -2.23 114.58 117.68 1fr6 h GLU 331 Ca 0.63 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.83 1fr6 h GLU 331 Cb 1.40 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.02 1fr6 h GLU 331 CO -0.75 -0.10 0.00 1.63 -1.18 0.00 0.00 179.01 178.60 1fr6 n LYS 332 N -5.43 2.26 -3.39 1.92 4.76 -0.27 -4.96 118.16 113.05 1fr6 n LYS 332 Ca 0.04 -1.91 -0.21 0.00 -2.87 0.00 0.00 58.31 53.36 1fr6 n LYS 332 Cb 0.34 -1.47 0.06 0.00 -1.84 0.00 0.00 35.03 32.13 1fr6 n LYS 332 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1fr6 n ASN 333 N 1.12 -6.19 -3.85 4.39 5.15 -0.71 -4.45 115.26 110.70 1fr6 n ASN 333 Ca 0.18 -0.81 -0.12 0.00 -0.60 0.00 0.00 54.58 53.23 1fr6 n ASN 333 Cb 0.51 -4.60 -0.13 0.00 -0.53 0.00 0.00 39.78 35.02 1fr6 n ASN 333 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1fr6 s LEU 334 N -5.76 1.76 0.20 1.20 2.96 -1.11 -2.66 118.68 115.27 1fr6 s LEU 334 Ca 0.46 0.10 -0.23 0.00 -0.22 0.00 0.00 54.13 54.24 1fr6 s LEU 334 Cb -0.10 0.24 0.05 0.00 0.50 0.00 0.00 46.19 46.89 1fr6 s LEU 334 CO 0.78 -0.05 0.89 -0.83 -1.32 0.00 0.00 176.35 175.82 1fr6 s GLY 335 N -0.08 -0.14 -0.12 7.98 0.00 -1.18 0.11 107.32 113.90 1fr6 s GLY 335 Ca -0.01 -0.08 -0.16 0.00 0.00 0.00 0.00 44.72 44.47 1fr6 s GLY 335 CO 0.00 0.11 0.41 -1.50 0.00 0.00 0.00 173.10 172.13 1fr6 s ILE 336 N -3.34 0.01 -0.17 0.90 2.07 0.21 0.65 121.20 121.52 1fr6 s ILE 336 Ca 0.13 -0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.28 1fr6 s ILE 336 Cb -0.03 -0.62 0.02 0.00 0.13 0.00 0.00 42.46 41.96 1fr6 s ILE 336 CO 0.04 -0.06 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.13 1fr6 s VAL 337 N -0.19 2.02 -0.21 4.00 1.01 0.17 -2.13 120.40 125.07 1fr6 s VAL 337 Ca -0.04 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1fr6 s VAL 337 Cb -0.03 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1fr6 s VAL 337 CO 0.02 0.53 -0.16 -0.04 0.00 0.00 0.00 175.10 175.46 1fr6 s MET 338 N 1.24 2.61 -0.14 2.72 -1.94 0.84 0.04 119.30 124.67 1fr6 s MET 338 Ca 0.03 -1.04 0.02 0.00 -1.71 0.00 0.00 55.69 52.99 1fr6 s MET 338 Cb -0.13 -2.68 0.01 0.00 2.01 0.00 0.00 34.83 34.04 1fr6 s MET 338 CO -0.11 -0.37 -0.20 -0.51 -0.01 0.00 0.00 175.02 173.81 1fr6 s LEU 339 N 1.22 2.00 -0.01 -0.03 1.43 0.19 -0.26 118.68 123.24 1fr6 s LEU 339 Ca -0.01 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1fr6 s LEU 339 Cb -0.16 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.71 1fr6 s LEU 339 CO -0.09 0.05 -0.00 0.00 0.23 0.00 0.00 176.35 176.53 1fr6 s ALA 340 N 0.93 0.11 -0.48 4.21 0.00 -0.89 0.36 121.76 126.00 1fr6 s ALA 340 Ca -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 1fr6 s ALA 340 Cb -0.15 -0.08 0.36 0.00 0.00 0.00 0.00 23.12 23.25 1fr6 s ALA 340 CO -0.03 -0.00 1.98 0.27 0.00 0.00 0.00 175.76 177.97 1fr6 n ASN 341 N 3.31 6.61 -3.69 0.00 6.94 -0.69 -2.28 115.26 125.46 1fr6 n ASN 341 Ca -0.16 -3.40 -0.13 0.00 -0.02 0.00 0.00 54.58 50.87 1fr6 n ASN 341 Cb 0.57 -0.98 -0.13 0.00 -2.36 0.00 0.00 39.78 36.88 1fr6 n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1fr6 s LYS 342 N -2.79 0.17 -0.94 -3.83 2.20 -0.94 -1.57 119.74 112.04 1fr6 s LYS 342 Ca 0.48 0.65 -0.24 0.00 -0.36 0.00 0.00 55.97 56.50 1fr6 s LYS 342 Cb 0.38 -0.08 0.05 0.00 -1.51 0.00 0.00 37.83 36.66 1fr6 s LYS 342 CO 0.01 -0.23 1.39 0.45 -0.36 0.00 0.00 175.35 176.61 1fr6 s SER 343 N 1.90 6.41 0.39 1.43 0.15 -1.25 -3.66 113.70 119.07 1fr6 s SER 343 Ca -0.03 -1.19 0.08 0.00 0.70 0.00 0.00 55.95 55.50 1fr6 s SER 343 Cb -0.11 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1fr6 s SER 343 CO -0.09 -1.59 0.31 -0.72 1.20 0.00 0.00 173.24 172.35 1fr6 s TYR 344 N 5.13 2.74 0.25 3.44 -0.00 -1.26 -4.99 117.35 122.67 1fr6 s TYR 344 Ca 0.43 -0.44 -0.31 0.00 -0.00 0.00 0.00 57.07 56.74 1fr6 s TYR 344 Cb -0.02 -1.99 -0.14 0.00 -0.00 0.00 0.00 41.96 39.81 1fr6 s TYR 344 CO -0.03 0.04 1.36 -2.30 -0.00 0.00 0.00 175.55 174.62 1fr6 n PRO 345 N -1.42 1.94 -0.18 -3.49 -0.02 -1.26 -4.91 135.00 125.66 1fr6 n PRO 345 Ca 0.01 0.69 -0.04 0.00 -2.02 0.00 0.00 63.50 62.14 1fr6 n PRO 345 Cb 0.62 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1fr6 n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1fr6 h ASN 346 N 3.88 -0.88 0.04 2.55 -0.26 -1.98 0.08 115.58 119.01 1fr6 h ASN 346 Ca -0.45 0.20 -0.00 0.00 -0.56 0.00 0.00 56.30 55.49 1fr6 h ASN 346 Cb 1.29 0.47 -0.00 0.00 -1.06 0.00 0.00 38.32 39.02 1fr6 h ASN 346 CO 0.73 -0.27 -0.01 1.55 -1.06 0.00 0.00 177.43 178.37 1fr6 h PRO 347 N -0.12 0.00 -0.47 0.81 0.13 -1.80 -0.63 132.00 129.93 1fr6 h PRO 347 Ca 0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.36 1fr6 h PRO 347 Cb 0.51 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1fr6 h PRO 347 CO -0.63 0.01 0.22 0.28 -0.23 0.00 0.00 178.00 177.65 1fr6 h VAL 348 N 0.00 1.19 0.11 1.56 2.07 -1.34 -0.19 116.25 119.64 1fr6 h VAL 348 Ca -0.00 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1fr6 h VAL 348 Cb 0.03 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1fr6 h VAL 348 CO 0.00 0.21 -0.05 0.03 0.02 0.00 0.00 177.57 177.78 1fr6 h ARG 349 N 0.61 -0.14 -0.62 1.57 -0.00 -0.94 -2.91 114.38 111.95 1fr6 h ARG 349 Ca 0.16 0.01 0.07 0.00 -0.50 0.00 0.00 59.98 59.72 1fr6 h ARG 349 Cb 0.14 0.03 -0.06 0.00 0.00 0.00 0.00 29.97 30.08 1fr6 h ARG 349 CO -0.02 0.26 0.29 0.28 0.00 0.00 0.00 179.97 180.78 1fr6 h VAL 350 N -0.57 0.87 -0.55 2.04 2.07 -1.48 0.19 116.25 118.82 1fr6 h VAL 350 Ca -0.01 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 1fr6 h VAL 350 Cb 0.46 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1fr6 h VAL 350 CO 0.02 0.10 0.03 -0.08 0.02 0.00 0.00 177.57 177.66 1fr6 h GLU 351 N 0.53 0.92 -0.38 1.57 4.81 -1.09 0.22 114.58 121.15 1fr6 h GLU 351 Ca 0.29 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1fr6 h GLU 351 Cb 0.28 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1fr6 h GLU 351 CO -0.24 0.89 0.24 0.00 -0.73 0.00 0.00 179.01 179.17 1fr6 h ALA 352 N 1.17 0.48 0.33 2.92 0.00 -1.03 0.52 119.26 123.65 1fr6 h ALA 352 Ca 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1fr6 h ALA 352 Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1fr6 h ALA 352 CO 0.02 -0.09 -0.33 0.00 0.00 0.00 0.00 179.25 178.85 1fr6 h ALA 353 N 1.15 -0.71 -0.16 0.00 0.00 -0.11 -2.95 119.26 116.47 1fr6 h ALA 353 Ca 0.14 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1fr6 h ALA 353 Cb -0.03 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1fr6 h ALA 353 CO -0.05 -0.94 -0.13 2.35 0.00 0.00 0.00 179.25 180.49 1fr6 h TRP 354 N -0.70 -0.32 -1.00 0.00 2.91 -0.44 -1.04 115.95 115.36 1fr6 h TRP 354 Ca -0.02 0.02 0.23 0.00 1.13 0.00 0.00 58.89 60.25 1fr6 h TRP 354 Cb 0.63 0.17 -0.12 0.00 -0.51 0.00 0.00 29.16 29.33 1fr6 h TRP 354 CO -0.20 -0.19 0.59 0.00 -1.03 0.00 0.00 178.44 177.61 1fr6 h ARG 355 N -0.14 0.61 0.00 2.65 3.08 -0.74 0.14 114.38 119.98 1fr6 h ARG 355 Ca 0.10 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1fr6 h ARG 355 Cb 0.29 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1fr6 h ARG 355 CO -0.25 0.40 -0.00 0.82 -1.07 0.00 0.00 179.97 179.88 1fr6 h ILE 356 N 0.63 1.70 -0.39 2.04 2.04 -1.30 -3.37 117.51 118.87 1fr6 h ILE 356 Ca 0.62 -2.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1fr6 h ILE 356 Cb 1.11 3.15 -0.02 0.00 -0.74 0.00 0.00 36.82 40.32 1fr6 h ILE 356 CO -0.45 0.55 0.21 -0.07 0.00 0.00 0.00 178.15 178.39 1fr6 h LEU 357 N -0.93 0.48 -1.00 1.44 4.07 -0.93 -3.01 115.31 115.43 1fr6 h LEU 357 Ca -0.00 -0.09 0.28 0.00 0.08 0.00 0.00 57.88 58.15 1fr6 h LEU 357 Cb 0.91 -0.12 -0.19 0.00 1.08 0.00 0.00 40.66 42.34 1fr6 h LEU 357 CO 0.00 0.44 0.03 -0.08 -1.08 0.00 0.00 178.44 177.75 1fr6 h GLU 358 N 0.49 0.00 0.00 1.13 4.57 -0.88 0.35 114.58 120.25 1fr6 h GLU 358 Ca 0.14 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1fr6 h GLU 358 Cb 0.06 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1fr6 h GLU 358 CO -0.02 0.00 -0.18 0.87 -1.18 0.00 0.00 179.01 178.50 1fr6 h LYS 359 N 0.00 0.00 0.03 1.92 1.57 -1.68 -3.27 116.57 115.14 1fr6 h LYS 359 Ca 0.61 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 59.03 1fr6 h LYS 359 Cb 1.27 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.52 1fr6 h LYS 359 CO -0.93 0.18 -2.21 1.28 -0.57 0.00 0.00 179.45 177.20 1fr6 n LEU 360 N -3.47 1.73 0.00 2.94 4.77 0.11 -5.09 117.00 117.98 1fr6 n LEU 360 Ca -0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1fr6 n LEU 360 Cb 0.35 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1fr6 n LEU 360 CO 0.32 0.71 0.00 1.67 -1.33 0.00 0.00 177.39 178.76