#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr1 h ALA 2 N 0.00 -0.17 -2.73 0.00 0.00 -2.03 -3.41 119.26 110.91 1fr1 h ALA 2 Ca 0.00 -0.24 -0.56 0.00 0.00 0.00 0.00 54.91 54.10 1fr1 h ALA 2 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1fr1 h ALA 2 CO 0.00 -0.29 0.02 0.15 0.00 0.00 0.00 179.25 179.12 1fr1 s LYS 3 N -3.63 4.35 0.54 0.00 -0.14 -1.26 -5.07 119.74 114.53 1fr1 s LYS 3 Ca -0.14 0.79 -0.05 0.00 -1.36 0.00 0.00 55.97 55.22 1fr1 s LYS 3 Cb 0.01 -3.34 -0.00 0.00 -1.68 0.00 0.00 37.83 32.81 1fr1 s LYS 3 CO 0.54 0.36 0.84 0.95 -0.76 0.00 0.00 175.35 177.27 1fr1 s THR 4 N -0.18 3.94 0.27 2.17 -4.23 -1.26 -4.95 115.64 111.40 1fr1 s THR 4 Ca 0.32 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 1fr1 s THR 4 Cb -0.19 -3.53 0.26 0.00 1.34 0.00 0.00 72.50 70.38 1fr1 s THR 4 CO 0.18 -0.51 1.79 -0.08 -0.54 0.00 0.00 174.62 175.46 1fr1 h GLU 5 N 0.00 0.74 -0.21 3.99 4.81 -1.98 -0.86 114.58 121.07 1fr1 h GLU 5 Ca -0.46 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 1fr1 h GLU 5 Cb 1.25 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1fr1 h GLU 5 CO 0.60 0.49 -0.25 0.37 -0.73 0.00 0.00 179.01 179.48 1fr1 h GLN 6 N 0.76 0.40 0.00 1.92 4.15 -2.00 -2.19 115.11 118.15 1fr1 h GLN 6 Ca 0.48 -0.15 -0.12 0.00 0.77 0.00 0.00 58.65 59.63 1fr1 h GLN 6 Cb 0.61 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 1fr1 h GLN 6 CO -0.32 0.63 -0.57 1.96 -1.93 0.00 0.00 178.83 178.59 1fr1 h GLN 7 N 0.36 0.00 -0.04 1.69 4.20 -1.55 -2.54 115.11 117.23 1fr1 h GLN 7 Ca 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1fr1 h GLN 7 Cb 0.64 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1fr1 h GLN 7 CO 0.05 0.57 -0.01 0.82 -0.67 0.00 0.00 178.83 179.59 1fr1 h ILE 8 N 0.00 1.30 -0.75 2.54 2.04 -1.23 -1.72 117.51 119.69 1fr1 h ILE 8 Ca -0.01 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.03 1fr1 h ILE 8 Cb 1.11 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 38.95 1fr1 h ILE 8 CO 0.07 0.25 0.39 0.00 0.00 0.00 0.00 178.15 178.87 1fr1 h ALA 9 N 0.65 1.04 -0.03 1.87 0.00 -1.35 0.50 119.26 121.94 1fr1 h ALA 9 Ca 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1fr1 h ALA 9 Cb 0.40 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1fr1 h ALA 9 CO 0.00 0.00 0.01 -0.44 0.00 0.00 0.00 179.25 178.83 1fr1 h ASP 10 N 0.67 0.04 -0.37 0.00 5.19 -1.43 0.55 116.42 121.06 1fr1 h ASP 10 Ca 0.36 -0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1fr1 h ASP 10 Cb 0.36 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 1fr1 h ASP 10 CO -0.26 0.18 0.23 0.40 -3.12 0.00 0.00 179.24 176.67 1fr1 h ILE 11 N -0.11 1.06 0.03 0.35 2.04 -0.47 -0.32 117.51 120.10 1fr1 h ILE 11 Ca 0.01 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1fr1 h ILE 11 Cb 0.16 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1fr1 h ILE 11 CO -0.00 0.09 -0.02 0.58 0.00 0.00 0.00 178.15 178.80 1fr1 h VAL 12 N 0.47 1.20 -0.63 1.67 2.07 0.31 -2.95 116.25 118.38 1fr1 h VAL 12 Ca 0.14 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1fr1 h VAL 12 Cb -0.02 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1fr1 h VAL 12 CO -0.05 0.19 0.39 0.78 0.02 0.00 0.00 177.57 178.90 1fr1 h ASN 13 N -0.36 0.65 -0.71 0.57 2.35 0.18 -1.40 115.58 116.86 1fr1 h ASN 13 Ca -0.00 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1fr1 h ASN 13 Cb 0.34 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1fr1 h ASN 13 CO 0.01 0.46 0.47 0.03 -1.65 0.00 0.00 177.43 176.75 1fr1 h ARG 14 N 0.78 0.91 0.07 0.81 3.08 -1.07 -1.45 114.38 117.52 1fr1 h ARG 14 Ca 0.25 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1fr1 h ARG 14 Cb -0.01 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1fr1 h ARG 14 CO -0.09 0.60 -0.03 1.15 -1.07 0.00 0.00 179.97 180.53 1fr1 h THR 15 N 0.94 0.81 -0.23 2.04 2.02 -1.31 -3.39 112.91 113.78 1fr1 h THR 15 Ca 0.27 -1.43 -0.15 0.00 0.77 0.00 0.00 66.41 65.87 1fr1 h THR 15 Cb -0.06 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1fr1 h THR 15 CO -0.06 0.25 -0.48 0.40 0.37 0.00 0.00 175.52 176.00 1fr1 h ILE 16 N -0.96 1.31 -0.02 3.11 1.08 -1.20 -3.22 117.51 117.60 1fr1 h ILE 16 Ca -0.01 -1.68 0.03 0.00 -0.39 0.00 0.00 64.86 62.81 1fr1 h ILE 16 Cb 0.48 1.64 -0.05 0.00 -3.07 0.00 0.00 36.82 35.82 1fr1 h ILE 16 CO 0.02 0.53 -0.36 0.74 -0.69 0.00 0.00 178.15 178.39 1fr1 h THR 17 N 0.48 0.24 -0.50 -0.27 2.02 -1.47 -0.94 112.91 112.47 1fr1 h THR 17 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1fr1 h THR 17 Cb 1.01 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1fr1 h THR 17 CO 0.09 0.00 0.33 -0.65 0.37 0.00 0.00 175.52 175.66 1fr1 h PRO 18 N -0.50 0.55 0.02 6.66 0.11 -1.76 -2.94 132.00 134.14 1fr1 h PRO 18 Ca 0.06 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1fr1 h PRO 18 Cb 0.60 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1fr1 h PRO 18 CO -0.30 0.37 -0.01 1.25 -0.21 0.00 0.00 178.00 179.10 1fr1 h LEU 19 N 0.57 -0.02 -0.99 2.35 5.85 -1.40 -1.09 115.31 120.59 1fr1 h LEU 19 Ca 0.20 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1fr1 h LEU 19 Cb 0.08 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1fr1 h LEU 19 CO -0.05 0.41 0.64 0.24 -0.34 0.00 0.00 178.44 179.34 1fr1 h MET 20 N -0.45 1.18 0.79 1.25 2.86 -1.14 -0.16 114.93 119.27 1fr1 h MET 20 Ca -0.00 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1fr1 h MET 20 Cb 0.43 -0.27 0.01 0.00 0.06 0.00 0.00 31.60 31.83 1fr1 h MET 20 CO 0.00 0.78 -0.38 0.37 1.06 0.00 0.00 176.91 178.74 1fr1 h GLN 21 N 1.21 -1.02 -0.77 1.72 4.15 -1.51 0.17 115.11 119.05 1fr1 h GLN 21 Ca 0.41 0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.89 1fr1 h GLN 21 Cb 0.07 0.23 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 1fr1 h GLN 21 CO -0.14 -0.67 0.44 1.49 -1.93 0.00 0.00 178.83 178.01 1fr1 h GLU 22 N -1.24 1.06 -0.01 1.69 4.57 -1.10 -2.82 114.58 116.74 1fr1 h GLU 22 Ca -0.11 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1fr1 h GLU 22 Cb 0.82 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1fr1 h GLU 22 CO 0.18 0.77 -0.25 1.04 -1.18 0.00 0.00 179.01 179.56 1fr1 n GLN 23 N -4.36 1.00 -3.53 1.92 1.13 -0.08 -4.97 117.38 108.48 1fr1 n GLN 23 Ca 0.08 -0.63 -0.20 0.00 -1.94 0.00 0.00 57.00 54.30 1fr1 n GLN 23 Cb 0.09 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.03 1fr1 n GLN 23 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fr1 n ALA 24 N -0.45 -1.75 -2.70 -1.58 0.00 0.34 -4.97 120.51 109.40 1fr1 n ALA 24 Ca 0.13 0.10 -0.38 0.00 0.00 0.00 0.00 53.44 53.28 1fr1 n ALA 24 Cb 0.37 -3.52 -0.06 0.00 0.00 0.00 0.00 19.45 16.24 1fr1 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fr1 s ILE 25 N -3.37 5.16 0.04 0.00 1.01 0.22 -5.00 121.20 119.26 1fr1 s ILE 25 Ca 0.23 0.97 -0.25 0.00 0.00 0.00 0.00 60.65 61.61 1fr1 s ILE 25 Cb -0.10 -3.83 -0.17 0.00 0.01 0.00 0.00 42.46 38.36 1fr1 s ILE 25 CO 0.74 0.28 1.50 -0.65 0.00 0.00 0.00 174.94 176.81 1fr1 h PRO 26 N 6.94 -0.09 -3.61 2.79 0.11 -1.86 -3.45 132.00 132.84 1fr1 h PRO 26 Ca -0.39 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.61 1fr1 h PRO 26 Cb 1.17 0.02 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 1fr1 h PRO 26 CO 0.75 0.14 -0.42 0.20 -0.21 0.00 0.00 178.00 178.46 1fr1 s GLY 27 N -2.62 0.06 0.02 -0.55 0.00 -1.16 -1.81 107.32 101.27 1fr1 s GLY 27 Ca -0.14 -0.33 -0.10 0.00 0.00 0.00 0.00 44.72 44.14 1fr1 s GLY 27 CO 0.65 -0.50 0.21 -0.29 0.00 0.00 0.00 173.10 173.17 1fr1 s MET 28 N -2.54 0.65 -0.04 2.90 1.75 0.12 -2.15 119.30 119.98 1fr1 s MET 28 Ca -0.05 -0.47 0.01 0.00 -1.25 0.00 0.00 55.69 53.92 1fr1 s MET 28 Cb -0.01 0.27 0.02 0.00 2.84 0.00 0.00 34.83 37.95 1fr1 s MET 28 CO -0.04 -0.18 -0.04 0.00 -0.65 0.00 0.00 175.02 174.11 1fr1 s ALA 29 N -2.02 0.63 0.06 4.11 0.00 -0.59 -1.08 121.76 122.86 1fr1 s ALA 29 Ca -0.09 -0.03 0.06 0.00 0.00 0.00 0.00 51.96 51.90 1fr1 s ALA 29 Cb -0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1fr1 s ALA 29 CO -0.01 -0.00 -0.18 0.08 0.00 0.00 0.00 175.76 175.65 1fr1 s VAL 30 N 0.86 1.43 -0.06 0.00 1.01 0.66 -1.57 120.40 122.73 1fr1 s VAL 30 Ca -0.11 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.66 1fr1 s VAL 30 Cb -0.14 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1fr1 s VAL 30 CO 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 175.10 175.05 1fr1 s ALA 31 N -0.96 0.93 -0.14 5.51 0.00 -0.71 -0.71 121.76 125.68 1fr1 s ALA 31 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1fr1 s ALA 31 Cb -0.09 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1fr1 s ALA 31 CO 0.02 0.01 -0.12 0.42 0.00 0.00 0.00 175.76 176.09 1fr1 s ILE 32 N 0.88 3.12 -0.28 0.00 -1.09 -0.64 -1.01 121.20 122.18 1fr1 s ILE 32 Ca -0.11 -0.63 -0.05 0.00 -2.23 0.00 0.00 60.65 57.63 1fr1 s ILE 32 Cb -0.15 -2.32 0.01 0.00 -1.58 0.00 0.00 42.46 38.42 1fr1 s ILE 32 CO 0.01 0.51 0.03 -0.63 -1.23 0.00 0.00 174.94 173.63 1fr1 s ILE 33 N 0.46 3.56 -0.19 2.92 1.01 0.45 -1.23 121.20 128.19 1fr1 s ILE 33 Ca -0.09 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1fr1 s ILE 33 Cb -0.16 -2.83 0.04 0.00 0.01 0.00 0.00 42.46 39.53 1fr1 s ILE 33 CO 0.04 0.12 -0.10 -0.47 0.00 0.00 0.00 174.94 174.53 1fr1 s TYR 34 N 1.43 2.30 -1.50 3.97 5.04 -0.23 -1.37 117.35 126.99 1fr1 s TYR 34 Ca 0.02 -1.48 -0.04 0.00 -2.44 0.00 0.00 57.07 53.13 1fr1 s TYR 34 Cb -0.17 -1.60 0.02 0.00 0.35 0.00 0.00 41.96 40.56 1fr1 s TYR 34 CO -0.00 -0.72 0.38 1.04 -1.34 0.00 0.00 175.55 174.91 1fr1 n GLN 35 N 4.72 -3.61 -0.45 4.97 1.13 -0.57 -1.08 117.38 122.48 1fr1 n GLN 35 Ca -0.15 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 55.73 1fr1 n GLN 35 Cb 0.47 -5.58 0.00 0.00 0.11 0.00 0.00 30.24 25.24 1fr1 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fr1 n GLY 36 N -1.26 1.34 3.64 1.08 0.00 -1.05 -5.02 105.19 103.93 1fr1 n GLY 36 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1fr1 n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fr1 s LYS 37 N -0.28 4.08 0.09 1.61 2.47 -0.24 -5.06 119.74 122.40 1fr1 s LYS 37 Ca 0.00 -0.03 -0.18 0.00 -1.56 0.00 0.00 55.97 54.20 1fr1 s LYS 37 Cb 0.00 -3.58 -0.07 0.00 -1.46 0.00 0.00 37.83 32.72 1fr1 s LYS 37 CO 0.00 -0.09 0.56 -1.25 0.16 0.00 0.00 175.35 174.73 1fr1 s PRO 38 N 1.49 4.14 -0.06 4.03 0.04 -1.26 -1.07 135.00 142.30 1fr1 s PRO 38 Ca 0.13 0.67 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 1fr1 s PRO 38 Cb -0.15 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.26 1fr1 s PRO 38 CO 0.08 0.60 -0.01 0.71 0.04 0.00 0.00 177.00 178.42 1fr1 s TYR 39 N -1.20 0.59 0.01 0.56 2.02 -0.36 -4.99 117.35 113.97 1fr1 s TYR 39 Ca 0.31 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.89 1fr1 s TYR 39 Cb -0.18 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 1fr1 s TYR 39 CO 0.19 -0.25 0.09 0.71 -1.57 0.00 0.00 175.55 174.71 1fr1 s TYR 40 N 1.57 3.28 -0.04 2.71 1.51 -1.26 -1.62 117.35 123.50 1fr1 s TYR 40 Ca -0.01 0.19 -0.02 0.00 -1.01 0.00 0.00 57.07 56.21 1fr1 s TYR 40 Cb -0.13 -1.72 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 1fr1 s TYR 40 CO -0.03 0.55 0.09 -0.06 -1.11 0.00 0.00 175.55 174.99 1fr1 s PHE 41 N -1.23 -0.09 0.00 2.71 0.40 0.11 -5.00 117.98 114.88 1fr1 s PHE 41 Ca 0.24 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.86 1fr1 s PHE 41 Cb -0.12 -0.05 -0.00 0.00 0.51 0.00 0.00 43.02 43.35 1fr1 s PHE 41 CO 0.16 -0.09 -0.01 0.95 0.70 0.00 0.00 175.22 176.92 1fr1 s THR 42 N 0.59 0.08 0.01 0.64 -4.23 -1.26 -0.24 115.64 111.22 1fr1 s THR 42 Ca -0.05 -0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.33 1fr1 s THR 42 Cb -0.06 -0.09 -0.01 0.00 1.34 0.00 0.00 72.50 73.68 1fr1 s THR 42 CO -0.02 -0.02 0.02 0.26 -0.54 0.00 0.00 174.62 174.31 1fr1 s TRP 43 N -0.14 0.18 0.00 3.99 0.51 -0.24 -5.00 118.94 118.23 1fr1 s TRP 43 Ca -0.01 -0.39 0.00 0.00 -2.12 0.00 0.00 56.10 53.58 1fr1 s TRP 43 Cb -0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 33.47 32.51 1fr1 s TRP 43 CO -0.00 -0.21 0.00 0.41 -0.51 0.00 0.00 176.95 176.64 1fr1 n GLY 44 N 1.64 -1.19 3.75 0.98 0.00 -1.26 -0.70 105.19 108.40 1fr1 n GLY 44 Ca -0.23 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1fr1 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr1 s LYS 45 N 0.00 3.12 -0.11 1.61 3.01 -0.75 -0.83 119.74 125.80 1fr1 s LYS 45 Ca 0.00 -0.34 0.07 0.00 -1.01 0.00 0.00 55.97 54.69 1fr1 s LYS 45 Cb 0.00 -2.92 -0.24 0.00 -1.01 0.00 0.00 37.83 33.67 1fr1 s LYS 45 CO 0.00 0.72 0.40 0.00 0.51 0.00 0.00 175.35 176.98 1fr1 n ALA 46 N 1.95 1.31 -3.74 5.17 0.00 0.11 -2.96 120.51 122.35 1fr1 n ALA 46 Ca -0.18 -0.83 -0.28 0.00 0.00 0.00 0.00 53.44 52.15 1fr1 n ALA 46 Cb 0.54 -0.63 -0.16 0.00 0.00 0.00 0.00 19.45 19.19 1fr1 n ALA 46 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1fr1 s ASP 47 N -6.32 2.89 -0.01 0.00 3.68 -0.95 -0.72 116.67 115.23 1fr1 s ASP 47 Ca -0.14 -0.81 -0.22 0.00 2.13 0.00 0.00 52.55 53.51 1fr1 s ASP 47 Cb 0.07 -0.61 -0.13 0.00 -1.45 0.00 0.00 42.92 40.80 1fr1 s ASP 47 CO 0.79 -0.30 0.98 0.40 0.13 0.00 0.00 175.17 177.16 1fr1 h ILE 48 N 6.51 0.24 -0.63 4.11 2.04 -1.85 -0.46 117.51 127.47 1fr1 h ILE 48 Ca -0.16 -0.53 0.10 0.00 1.00 0.00 0.00 64.86 65.27 1fr1 h ILE 48 Cb 1.12 0.37 -0.12 0.00 -0.74 0.00 0.00 36.82 37.45 1fr1 h ILE 48 CO 0.34 0.05 -0.38 0.00 0.00 0.00 0.00 178.15 178.15 1fr1 h ALA 49 N -0.89 -0.15 -0.28 1.87 0.00 -1.98 -1.37 119.26 116.47 1fr1 h ALA 49 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1fr1 h ALA 49 Cb 0.57 0.88 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1fr1 h ALA 49 CO 0.11 -0.74 0.00 0.09 0.00 0.00 0.00 179.25 178.71 1fr1 n ASN 50 N -5.42 1.91 -3.30 0.00 5.03 -1.24 -4.97 115.26 107.26 1fr1 n ASN 50 Ca 0.04 -1.87 -0.12 0.00 0.87 0.00 0.00 54.58 53.50 1fr1 n ASN 50 Cb 0.36 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 1fr1 n ASN 50 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1fr1 n ASN 51 N 0.51 -1.59 -4.71 6.41 2.04 -0.49 -4.96 115.26 112.46 1fr1 n ASN 51 Ca 0.14 -0.39 -0.36 0.00 -0.44 0.00 0.00 54.58 53.53 1fr1 n ASN 51 Cb 0.33 -0.56 -0.08 0.00 -2.53 0.00 0.00 39.78 36.94 1fr1 n ASN 51 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1fr1 s ARG 52 N -4.12 4.16 0.66 -3.83 0.52 -0.30 -4.98 118.95 111.06 1fr1 s ARG 52 Ca 0.07 -0.17 -0.11 0.00 -0.52 0.00 0.00 55.73 55.00 1fr1 s ARG 52 Cb -0.04 -3.46 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 1fr1 s ARG 52 CO 0.33 0.20 1.05 -1.25 0.02 0.00 0.00 175.30 175.65 1fr1 s PRO 53 N 0.64 3.24 0.10 3.54 0.04 -1.26 0.04 135.00 141.34 1fr1 s PRO 53 Ca 0.10 0.72 -0.29 0.00 0.04 0.00 0.00 61.00 61.56 1fr1 s PRO 53 Cb -0.12 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 1fr1 s PRO 53 CO 0.01 -0.82 0.92 0.08 0.04 0.00 0.00 177.00 177.23 1fr1 s VAL 54 N -3.19 4.53 0.29 -0.36 1.01 -0.01 -4.34 120.40 118.32 1fr1 s VAL 54 Ca 0.57 1.98 0.03 0.00 0.00 0.00 0.00 61.98 64.56 1fr1 s VAL 54 Cb -0.12 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 1fr1 s VAL 54 CO 0.54 0.34 0.05 -0.89 0.00 0.00 0.00 175.10 175.14 1fr1 s THR 55 N -0.08 1.02 -0.99 3.92 2.01 -1.26 -4.68 115.64 115.59 1fr1 s THR 55 Ca 0.45 -2.01 0.10 0.00 0.31 0.00 0.00 61.69 60.54 1fr1 s THR 55 Cb -0.23 -2.66 0.09 0.00 0.01 0.00 0.00 72.50 69.70 1fr1 s THR 55 CO 0.28 -0.07 1.33 0.00 -0.69 0.00 0.00 174.62 175.47 1fr1 n GLN 56 N -0.58 0.00 -0.08 4.92 6.02 -1.26 -1.69 117.38 124.72 1fr1 n GLN 56 Ca -0.02 0.33 0.05 0.00 -0.01 0.00 0.00 57.00 57.35 1fr1 n GLN 56 Cb 0.66 -1.51 0.09 0.00 1.02 0.00 0.00 30.24 30.50 1fr1 n GLN 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fr1 n GLN 57 N -1.52 1.64 -2.46 -1.09 10.64 -1.26 -3.99 117.38 119.34 1fr1 n GLN 57 Ca 0.02 -1.54 -0.41 0.00 -1.83 0.00 0.00 57.00 53.25 1fr1 n GLN 57 Cb 0.12 -1.21 -0.04 0.00 -0.86 0.00 0.00 30.24 28.25 1fr1 n GLN 57 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 1fr1 s THR 58 N -0.91 3.54 -0.06 -0.39 -1.32 -0.68 -4.83 115.64 110.99 1fr1 s THR 58 Ca 0.16 1.48 -0.21 0.00 -1.21 0.00 0.00 61.69 61.91 1fr1 s THR 58 Cb 0.09 -3.94 -0.04 0.00 -1.51 0.00 0.00 72.50 67.10 1fr1 s THR 58 CO 0.13 0.32 0.59 -0.76 -2.21 0.00 0.00 174.62 172.69 1fr1 s LEU 59 N -1.15 4.34 0.16 9.08 1.43 0.62 -4.15 118.68 129.01 1fr1 s LEU 59 Ca 0.46 1.05 0.09 0.00 -1.03 0.00 0.00 54.13 54.71 1fr1 s LEU 59 Cb -0.32 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 1fr1 s LEU 59 CO 0.40 0.00 -0.16 -0.36 0.23 0.00 0.00 176.35 176.47 1fr1 s PHE 60 N 0.37 2.53 -0.13 0.29 0.08 -0.66 -1.99 117.98 118.47 1fr1 s PHE 60 Ca 0.31 -0.26 -0.27 0.00 0.12 0.00 0.00 56.93 56.83 1fr1 s PHE 60 Cb -0.17 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 40.99 1fr1 s PHE 60 CO 0.15 0.47 0.89 -1.21 -0.10 0.00 0.00 175.22 175.42 1fr1 s GLU 61 N -2.55 4.37 0.25 0.44 2.02 -1.26 -1.82 118.70 120.14 1fr1 s GLU 61 Ca 0.22 1.16 0.19 0.00 0.02 0.00 0.00 54.97 56.55 1fr1 s GLU 61 Cb -0.09 -3.55 0.06 0.00 0.10 0.00 0.00 34.13 30.65 1fr1 s GLU 61 CO 0.12 -0.27 1.25 -0.07 0.02 0.00 0.00 175.26 176.31 1fr1 h LEU 62 N 7.99 0.00 0.00 1.80 3.38 -1.72 -3.42 115.31 123.34 1fr1 h LEU 62 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1fr1 h LEU 62 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1fr1 h LEU 62 CO 0.83 0.31 0.00 0.61 0.09 0.00 0.00 178.44 180.28 1fr1 n GLY 63 N 1.23 3.66 0.00 0.83 0.00 -1.25 -2.32 105.19 107.33 1fr1 n GLY 63 Ca -0.01 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1fr1 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fr1 n SER 64 N 6.23 0.00 0.23 1.61 7.64 -1.26 -1.57 113.62 126.51 1fr1 n SER 64 Ca 0.00 0.32 0.16 0.00 1.01 0.00 0.00 58.87 60.36 1fr1 n SER 64 Cb 0.00 -0.39 0.60 0.00 -1.01 0.00 0.00 64.21 63.40 1fr1 n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1fr1 h VAL 65 N 0.00 0.00 -0.16 0.44 2.07 -1.61 -1.45 116.25 115.54 1fr1 h VAL 65 Ca 0.00 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.09 1fr1 h VAL 65 Cb 0.13 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1fr1 h VAL 65 CO 0.00 0.00 0.18 0.28 0.02 0.00 0.00 177.57 178.05 1fr1 h SER 66 N 0.00 0.00 0.25 0.57 0.02 -1.50 -2.33 113.55 110.57 1fr1 h SER 66 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1fr1 h SER 66 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1fr1 h SER 66 CO 0.00 0.00 -0.25 0.11 -1.14 0.00 0.00 176.83 175.55 1fr1 h LYS 67 N 0.00 0.00 -0.09 3.45 1.57 -1.42 -2.49 116.57 117.59 1fr1 h LYS 67 Ca 0.07 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1fr1 h LYS 67 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1fr1 h LYS 67 CO -0.00 0.25 -0.37 1.79 -0.57 0.00 0.00 179.45 180.56 1fr1 h THR 68 N 0.00 1.29 -0.06 -0.16 1.35 -1.62 -1.08 112.91 112.63 1fr1 h THR 68 Ca -0.00 -1.38 -0.18 0.00 -0.55 0.00 0.00 66.41 64.30 1fr1 h THR 68 Cb 0.45 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 1fr1 h THR 68 CO 0.03 0.41 -0.73 -0.26 -0.25 0.00 0.00 175.52 174.73 1fr1 h PHE 69 N 0.17 0.43 -0.09 4.73 -1.00 -1.62 -1.99 116.94 117.56 1fr1 h PHE 69 Ca 0.02 -0.19 -0.03 0.00 2.81 0.00 0.00 57.97 60.57 1fr1 h PHE 69 Cb 0.73 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 40.22 1fr1 h PHE 69 CO 0.01 0.93 -0.08 -0.97 -1.61 0.00 0.00 178.31 176.60 1fr1 h ASN 70 N 0.21 0.22 0.00 2.17 -0.73 -1.14 -2.46 115.58 113.86 1fr1 h ASN 70 Ca -0.03 -0.47 0.03 0.00 1.87 0.00 0.00 56.30 57.70 1fr1 h ASN 70 Cb 1.29 -0.06 -0.05 0.00 0.27 0.00 0.00 38.32 39.77 1fr1 h ASN 70 CO 0.12 0.64 -0.36 1.23 -0.37 0.00 0.00 177.43 178.69 1fr1 h GLY 71 N -0.20 -0.62 1.06 1.57 0.00 -1.17 -1.77 103.07 101.93 1fr1 h GLY 71 Ca 0.02 0.43 0.07 0.00 0.00 0.00 0.00 47.33 47.85 1fr1 h GLY 71 CO 0.02 -0.24 0.45 -2.08 0.00 0.00 0.00 176.54 174.69 1fr1 h VAL 72 N -0.52 0.99 -0.15 4.60 2.07 -1.43 -0.42 116.25 121.40 1fr1 h VAL 72 Ca 0.06 -0.22 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 1fr1 h VAL 72 Cb 0.60 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1fr1 h VAL 72 CO -0.28 0.12 -0.61 0.25 0.02 0.00 0.00 177.57 177.06 1fr1 h LEU 73 N 0.65 0.58 0.31 2.57 5.85 -0.87 -0.91 115.31 123.49 1fr1 h LEU 73 Ca 0.30 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1fr1 h LEU 73 Cb 0.32 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1fr1 h LEU 73 CO -0.10 1.05 -0.15 1.23 -0.34 0.00 0.00 178.44 180.13 1fr1 h GLY 74 N 1.12 -0.43 -1.00 3.75 0.00 -0.84 -1.50 103.07 104.17 1fr1 h GLY 74 Ca -0.01 0.16 0.15 0.00 0.00 0.00 0.00 47.33 47.63 1fr1 h GLY 74 CO 0.11 -0.16 -0.40 0.61 0.00 0.00 0.00 176.54 176.70 1fr1 n GLY 75 N -0.25 -2.09 0.31 4.60 0.00 -0.21 -0.09 105.19 107.46 1fr1 n GLY 75 Ca -0.09 1.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.99 1fr1 n GLY 75 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1fr1 h ASP 76 N 0.00 0.95 -0.75 1.61 1.82 -1.00 -1.47 116.42 117.58 1fr1 h ASP 76 Ca 0.33 -0.11 0.01 0.00 -0.39 0.00 0.00 57.03 56.87 1fr1 h ASP 76 Cb 0.58 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.31 1fr1 h ASP 76 CO -0.99 0.79 0.49 0.00 -1.61 0.00 0.00 179.24 177.92 1fr1 h ALA 77 N 1.20 0.95 0.46 -0.78 0.00 0.59 0.47 119.26 122.14 1fr1 h ALA 77 Ca 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1fr1 h ALA 77 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1fr1 h ALA 77 CO -0.04 0.38 -0.38 0.82 0.00 0.00 0.00 179.25 180.02 1fr1 h ILE 78 N 1.01 0.22 -0.83 0.00 2.04 -0.60 -0.75 117.51 118.61 1fr1 h ILE 78 Ca 0.27 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.37 1fr1 h ILE 78 Cb -0.10 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 1fr1 h ILE 78 CO -0.06 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.68 1fr1 h ALA 79 N -0.47 2.72 -0.00 1.87 0.00 -0.78 1.08 119.26 123.68 1fr1 h ALA 79 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fr1 h ALA 79 Cb 0.73 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1fr1 h ALA 79 CO -0.02 -0.96 -0.17 0.54 0.00 0.00 0.00 179.25 178.65 1fr1 n ARG 80 N -4.31 0.21 -3.09 0.00 1.74 0.11 -4.92 116.66 106.40 1fr1 n ARG 80 Ca 0.17 -0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 57.03 1fr1 n ARG 80 Cb 0.87 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.85 1fr1 n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fr1 n GLY 81 N 1.43 -0.08 0.10 -0.13 0.00 0.37 -4.93 105.19 101.95 1fr1 n GLY 81 Ca 0.09 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1fr1 n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fr1 n GLU 82 N -3.35 0.68 -4.26 1.61 1.02 -0.33 -4.98 120.64 111.02 1fr1 n GLU 82 Ca -0.02 0.06 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 1fr1 n GLU 82 Cb 0.55 -1.57 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 1fr1 n GLU 82 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1fr1 s ILE 83 N -2.51 0.27 0.00 -3.67 -4.36 -1.22 -4.88 121.20 104.83 1fr1 s ILE 83 Ca -0.12 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.28 1fr1 s ILE 83 Cb 0.07 -2.56 -0.00 0.00 1.25 0.00 0.00 42.46 41.21 1fr1 s ILE 83 CO 0.80 0.00 -0.04 -0.75 0.24 0.00 0.00 174.94 175.19 1fr1 s LYS 84 N -4.07 0.32 0.57 0.37 2.20 -1.26 -4.36 119.74 113.51 1fr1 s LYS 84 Ca 0.38 -0.19 0.37 0.00 -0.36 0.00 0.00 55.97 56.17 1fr1 s LYS 84 Cb 0.07 -0.28 1.81 0.00 -1.51 0.00 0.00 37.83 37.91 1fr1 s LYS 84 CO 0.13 0.08 2.12 -0.07 -0.36 0.00 0.00 175.35 177.25 1fr1 h LEU 85 N 5.90 0.00 -0.03 5.43 3.38 -1.99 -1.73 115.31 126.28 1fr1 h LEU 85 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1fr1 h LEU 85 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1fr1 h LEU 85 CO 0.49 0.00 -0.42 -1.54 0.09 0.00 0.00 178.44 177.06 1fr1 n SER 86 N -2.97 0.46 -4.66 -0.43 3.41 -1.26 -0.61 113.62 107.57 1fr1 n SER 86 Ca -0.01 -0.19 -0.40 0.00 -0.26 0.00 0.00 58.87 58.01 1fr1 n SER 86 Cb 0.18 0.15 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 1fr1 n SER 86 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1fr1 n ASP 87 N -1.45 1.80 -4.79 4.04 10.43 -0.65 -4.71 116.55 121.22 1fr1 n ASP 87 Ca 0.06 1.02 -0.35 0.00 2.57 0.00 0.00 54.79 58.09 1fr1 n ASP 87 Cb 0.34 -1.44 -0.02 0.00 1.84 0.00 0.00 41.12 41.84 1fr1 n ASP 87 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1fr1 s PRO 88 N -2.29 3.71 0.28 -0.24 0.04 -1.26 -1.23 135.00 134.01 1fr1 s PRO 88 Ca 0.65 1.51 0.06 0.00 0.04 0.00 0.00 61.00 63.26 1fr1 s PRO 88 Cb -0.50 -2.17 0.42 0.00 0.04 0.00 0.00 34.50 32.29 1fr1 s PRO 88 CO 0.55 -0.53 1.68 -0.24 0.04 0.00 0.00 177.00 178.50 1fr1 h VAL 89 N 1.58 1.32 0.00 -0.36 3.04 -1.66 -2.90 116.25 117.27 1fr1 h VAL 89 Ca -0.49 -1.59 0.00 0.00 -1.01 0.00 0.00 66.70 63.61 1fr1 h VAL 89 Cb 1.24 1.72 0.00 0.00 -2.01 0.00 0.00 31.29 32.24 1fr1 h VAL 89 CO 0.59 0.47 0.00 0.35 -1.01 0.00 0.00 177.57 177.97 1fr1 n THR 90 N -4.00 0.85 0.18 3.17 -2.24 -1.26 -1.49 114.28 109.48 1fr1 n THR 90 Ca -0.02 0.21 0.06 0.00 -2.27 0.00 0.00 64.05 62.04 1fr1 n THR 90 Cb 0.50 -1.02 0.18 0.00 -2.10 0.00 0.00 70.33 67.90 1fr1 n THR 90 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1fr1 h GLN 91 N 0.00 0.00 0.00 -0.78 4.15 -1.90 -3.04 115.11 113.54 1fr1 h GLN 91 Ca 0.00 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.21 1fr1 h GLN 91 Cb 0.13 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 1fr1 h GLN 91 CO 0.00 0.33 -2.01 0.66 -1.93 0.00 0.00 178.83 175.89 1fr1 n TYR 92 N -3.26 0.00 -3.52 3.99 4.01 -0.56 -4.77 117.16 113.06 1fr1 n TYR 92 Ca 0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.47 1fr1 n TYR 92 Cb 0.61 -0.67 -0.13 0.00 -0.31 0.00 0.00 39.34 38.84 1fr1 n TYR 92 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1fr1 s TRP 93 N -2.63 0.85 -2.00 -0.72 -0.00 -0.88 -5.00 118.94 108.56 1fr1 s TRP 93 Ca -0.07 -1.60 0.17 0.00 -0.00 0.00 0.00 56.10 54.59 1fr1 s TRP 93 Cb 0.07 -1.07 1.03 0.00 -0.00 0.00 0.00 33.47 33.50 1fr1 s TRP 93 CO 0.67 -0.83 1.44 -2.30 -0.00 0.00 0.00 176.95 175.94 1fr1 n PRO 94 N 4.22 0.59 0.22 5.86 -0.02 -1.15 -3.05 135.00 141.68 1fr1 n PRO 94 Ca 0.08 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.69 1fr1 n PRO 94 Cb 0.38 -1.45 0.23 0.00 -0.02 0.00 0.00 33.50 32.64 1fr1 n PRO 94 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1fr1 h GLU 95 N 0.00 0.00 -4.68 -0.52 3.07 -1.95 -3.38 114.58 107.12 1fr1 h GLU 95 Ca 0.00 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.15 1fr1 h GLU 95 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 1fr1 h GLU 95 CO 0.00 0.00 2.59 1.28 -1.40 0.00 0.00 179.01 181.48 1fr1 n LEU 96 N -3.08 6.04 -0.15 1.33 4.77 -1.17 -4.72 117.00 120.02 1fr1 n LEU 96 Ca 0.04 -4.13 -0.10 0.00 -0.03 0.00 0.00 56.01 51.79 1fr1 n LEU 96 Cb 0.50 -1.67 0.02 0.00 -2.33 0.00 0.00 43.42 39.94 1fr1 n LEU 96 CO 0.33 0.76 0.70 0.74 -1.33 0.00 0.00 177.39 178.59 1fr1 h THR 97 N 4.59 1.27 -2.31 -5.08 2.02 -1.89 -3.46 112.91 108.04 1fr1 h THR 97 Ca 0.49 -1.35 -0.60 0.00 0.77 0.00 0.00 66.41 65.73 1fr1 h THR 97 Cb 0.74 1.09 0.17 0.00 -1.74 0.00 0.00 68.15 68.41 1fr1 h THR 97 CO 1.67 0.47 -0.82 0.61 0.37 0.00 0.00 175.52 177.82 1fr1 n GLY 98 N -0.17 -2.46 0.22 2.16 0.00 -1.26 -4.88 105.19 98.81 1fr1 n GLY 98 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.99 1fr1 n GLY 98 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fr1 h LYS 99 N 0.18 0.00 0.00 1.61 1.63 -1.95 -3.09 116.57 114.95 1fr1 h LYS 99 Ca -0.42 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.34 1fr1 h LYS 99 Cb 1.43 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.05 1fr1 h LYS 99 CO 0.45 0.22 -0.18 -0.56 -3.45 0.00 0.00 179.45 175.92 1fr1 h GLN 100 N 0.00 0.00 0.00 1.90 -0.00 -1.93 -2.15 115.11 112.93 1fr1 h GLN 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1fr1 h GLN 100 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.23 1fr1 h GLN 100 CO 0.03 0.18 -0.04 0.91 -0.00 0.00 0.00 178.83 179.91 1fr1 n TRP 101 N -3.83 0.06 -0.13 0.06 7.02 -1.17 -4.64 117.44 114.81 1fr1 n TRP 101 Ca -0.02 0.02 -0.12 0.00 -1.02 0.00 0.00 57.50 56.35 1fr1 n TRP 101 Cb 0.28 -0.51 -0.08 0.00 -2.42 0.00 0.00 31.31 28.59 1fr1 n TRP 101 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1fr1 h GLN 102 N 0.00 -0.36 -0.86 -0.99 1.08 -1.52 -2.94 115.11 109.52 1fr1 h GLN 102 Ca 0.00 0.02 -0.57 0.00 -1.45 0.00 0.00 58.65 56.65 1fr1 h GLN 102 Cb 0.51 0.08 -0.30 0.00 -0.05 0.00 0.00 27.48 27.72 1fr1 h GLN 102 CO 0.00 -0.24 0.34 0.41 -0.95 0.00 0.00 178.83 178.38 1fr1 n GLY 103 N -1.39 5.72 3.63 3.46 0.00 -1.26 -4.96 105.19 110.38 1fr1 n GLY 103 Ca -0.02 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 1fr1 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fr1 s ILE 104 N -4.40 5.08 0.42 -0.61 1.01 -1.11 -4.90 121.20 116.69 1fr1 s ILE 104 Ca 0.58 0.08 0.07 0.00 0.00 0.00 0.00 60.65 61.38 1fr1 s ILE 104 Cb 0.47 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1fr1 s ILE 104 CO 0.02 0.38 0.25 -0.94 0.00 0.00 0.00 174.94 174.65 1fr1 s SER 105 N 0.88 4.62 0.24 3.58 1.04 -1.26 -1.81 113.70 120.98 1fr1 s SER 105 Ca 0.06 -1.00 -0.05 0.00 0.48 0.00 0.00 55.95 55.44 1fr1 s SER 105 Cb -0.13 -0.44 0.44 0.00 0.10 0.00 0.00 66.02 65.98 1fr1 s SER 105 CO 0.03 -0.61 1.72 -0.07 0.98 0.00 0.00 173.24 175.28 1fr1 h LEU 106 N 1.27 0.19 -0.75 2.42 3.38 -1.11 -0.56 115.31 120.14 1fr1 h LEU 106 Ca -0.42 0.12 0.15 0.00 0.09 0.00 0.00 57.88 57.82 1fr1 h LEU 106 Cb 1.26 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.98 1fr1 h LEU 106 CO 0.66 0.06 -0.19 0.25 0.09 0.00 0.00 178.44 179.31 1fr1 h LEU 107 N 0.38 -0.72 -0.70 1.67 5.85 -1.14 0.13 115.31 120.80 1fr1 h LEU 107 Ca 0.40 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 59.35 1fr1 h LEU 107 Cb 0.62 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1fr1 h LEU 107 CO -0.42 -0.25 0.42 0.45 -0.34 0.00 0.00 178.44 178.30 1fr1 h HIS 108 N -0.00 0.91 -0.29 1.25 3.86 -1.37 -1.08 115.15 118.42 1fr1 h HIS 108 Ca 0.36 -0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.40 1fr1 h HIS 108 Cb 0.55 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1fr1 h HIS 108 CO -0.60 0.62 -0.47 -0.07 0.86 0.00 0.00 177.93 178.26 1fr1 h LEU 109 N 0.95 0.86 -0.74 2.43 3.38 -1.20 -0.48 115.31 120.51 1fr1 h LEU 109 Ca 0.25 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1fr1 h LEU 109 Cb -0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1fr1 h LEU 109 CO -0.05 1.19 0.32 0.00 0.09 0.00 0.00 178.44 180.00 1fr1 h ALA 110 N 0.83 0.96 -0.34 1.53 0.00 -0.34 -2.36 119.26 119.54 1fr1 h ALA 110 Ca 0.03 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1fr1 h ALA 110 Cb 1.05 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1fr1 h ALA 110 CO 0.10 0.56 0.02 0.25 0.00 0.00 0.00 179.25 180.18 1fr1 n THR 111 N -4.36 2.44 -2.56 0.00 -2.24 -0.45 -4.64 114.28 102.47 1fr1 n THR 111 Ca 0.06 -2.09 -0.19 0.00 -2.27 0.00 0.00 64.05 59.56 1fr1 n THR 111 Cb 0.16 -0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1fr1 n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1fr1 n TYR 112 N -0.65 -1.30 -0.81 4.78 4.01 -0.81 -4.84 117.16 117.54 1fr1 n TYR 112 Ca 0.27 0.11 0.08 0.00 -0.16 0.00 0.00 57.90 58.20 1fr1 n TYR 112 Cb 0.99 -3.75 0.22 0.00 -0.31 0.00 0.00 39.34 36.50 1fr1 n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1fr1 n THR 113 N -3.95 1.97 0.35 -0.72 -2.24 -0.25 -1.04 114.28 108.38 1fr1 n THR 113 Ca -0.19 -1.71 0.12 0.00 -2.27 0.00 0.00 64.05 60.00 1fr1 n THR 113 Cb 0.65 -0.08 0.53 0.00 -2.10 0.00 0.00 70.33 69.33 1fr1 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fr1 h ALA 114 N 1.66 1.00 0.00 6.98 0.00 -1.77 0.23 119.26 127.36 1fr1 h ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fr1 h ALA 114 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1fr1 h ALA 114 CO 0.16 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1fr1 n GLY 115 N -0.25 0.99 0.00 0.00 0.00 -1.26 -4.21 105.19 100.47 1fr1 n GLY 115 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1fr1 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fr1 n GLY 116 N 0.00 1.15 3.71 -0.02 0.00 -1.26 -0.89 105.19 107.88 1fr1 n GLY 116 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1fr1 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fr1 n LEU 117 N 0.00 3.93 -4.80 0.99 4.77 -1.26 -4.82 117.00 115.81 1fr1 n LEU 117 Ca 0.00 1.19 -0.33 0.00 -0.03 0.00 0.00 56.01 56.83 1fr1 n LEU 117 Cb 0.00 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 1fr1 n LEU 117 CO 0.00 -0.40 0.72 -2.16 -1.33 0.00 0.00 177.39 174.22 1fr1 s PRO 118 N -2.01 3.41 0.22 3.23 0.04 -1.26 -4.73 135.00 133.91 1fr1 s PRO 118 Ca 0.56 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1fr1 s PRO 118 Cb -0.53 -2.04 0.29 0.00 0.04 0.00 0.00 34.50 32.25 1fr1 s PRO 118 CO 0.61 -0.74 1.62 1.25 0.04 0.00 0.00 177.00 179.78 1fr1 h LEU 119 N 0.76 -0.62 -8.67 -3.56 5.85 -1.91 -3.30 115.31 103.87 1fr1 h LEU 119 Ca -0.48 0.21 -0.42 0.00 0.84 0.00 0.00 57.88 58.03 1fr1 h LEU 119 Cb 1.22 0.42 -0.17 0.00 0.37 0.00 0.00 40.66 42.51 1fr1 h LEU 119 CO 0.58 -0.23 -0.75 -1.10 -0.34 0.00 0.00 178.44 176.60 1fr1 s GLN 120 N -6.23 1.09 0.50 1.25 -1.52 -1.26 -0.96 119.66 112.53 1fr1 s GLN 120 Ca -0.14 -1.33 -0.22 0.00 -1.95 0.00 0.00 55.36 51.72 1fr1 s GLN 120 Cb 0.21 -0.93 -0.06 0.00 -0.22 0.00 0.00 33.01 32.01 1fr1 s GLN 120 CO 0.74 0.17 1.24 0.08 -0.25 0.00 0.00 175.29 177.27 1fr1 s VAL 121 N -2.41 2.69 0.65 1.09 1.01 -1.26 -4.92 120.40 117.26 1fr1 s VAL 121 Ca 0.12 0.51 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 1fr1 s VAL 121 Cb -0.03 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1fr1 s VAL 121 CO 0.03 -0.01 0.82 -2.65 0.00 0.00 0.00 175.10 173.29 1fr1 n PRO 122 N -0.78 0.62 0.10 2.72 -0.02 -1.26 -4.88 135.00 131.50 1fr1 n PRO 122 Ca 0.09 0.25 0.11 0.00 -2.02 0.00 0.00 63.50 61.93 1fr1 n PRO 122 Cb 0.47 -2.06 0.45 0.00 -0.02 0.00 0.00 33.50 32.34 1fr1 n PRO 122 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1fr1 n ASP 123 N -0.78 0.50 -1.12 2.55 3.85 -1.26 -2.24 116.55 118.05 1fr1 n ASP 123 Ca 0.13 0.63 0.11 0.00 -0.71 0.00 0.00 54.79 54.94 1fr1 n ASP 123 Cb 0.49 -0.73 0.27 0.00 -1.35 0.00 0.00 41.12 39.80 1fr1 n ASP 123 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1fr1 n ASP 124 N -2.05 3.29 -4.05 -1.12 3.85 -1.26 -4.78 116.55 110.42 1fr1 n ASP 124 Ca 0.02 -1.97 -0.33 0.00 -0.71 0.00 0.00 54.79 51.81 1fr1 n ASP 124 Cb 0.21 -0.34 -0.14 0.00 -1.35 0.00 0.00 41.12 39.50 1fr1 n ASP 124 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1fr1 s VAL 125 N -1.31 2.58 0.00 2.12 1.01 -0.95 -4.92 120.40 118.93 1fr1 s VAL 125 Ca 0.41 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 60.14 1fr1 s VAL 125 Cb 0.22 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1fr1 s VAL 125 CO 0.30 -0.62 0.71 0.35 0.00 0.00 0.00 175.10 175.84 1fr1 n THR 126 N 4.36 0.45 -4.10 3.92 -2.24 -1.26 -4.76 114.28 110.64 1fr1 n THR 126 Ca 0.02 -0.46 -0.08 0.00 -2.27 0.00 0.00 64.05 61.26 1fr1 n THR 126 Cb 0.42 0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 1fr1 n THR 126 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1fr1 s ASP 127 N -0.45 0.48 0.36 3.42 -4.77 -1.26 -4.85 116.67 109.60 1fr1 s ASP 127 Ca 0.00 -1.03 0.05 0.00 -3.30 0.00 0.00 52.55 48.26 1fr1 s ASP 127 Cb 0.00 0.21 0.71 0.00 -1.09 0.00 0.00 42.92 42.76 1fr1 s ASP 127 CO 0.00 -0.62 1.99 0.50 0.70 0.00 0.00 175.17 177.74 1fr1 h LYS 128 N 3.10 0.75 -0.77 2.11 3.64 -1.99 -0.05 116.57 123.36 1fr1 h LYS 128 Ca -0.34 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1fr1 h LYS 128 Cb 1.15 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1fr1 h LYS 128 CO 0.65 0.50 0.35 0.00 -2.27 0.00 0.00 179.45 178.67 1fr1 h ALA 129 N 1.62 1.00 0.00 5.00 0.00 -2.01 -2.74 119.26 122.13 1fr1 h ALA 129 Ca 0.26 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1fr1 h ALA 129 Cb 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1fr1 h ALA 129 CO -0.07 0.58 -0.70 0.00 0.00 0.00 0.00 179.25 179.06 1fr1 h ALA 130 N 1.18 0.72 -0.01 0.00 0.00 -1.58 -2.95 119.26 116.61 1fr1 h ALA 130 Ca 0.26 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1fr1 h ALA 130 Cb 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fr1 h ALA 130 CO -0.03 0.88 0.00 1.25 0.00 0.00 0.00 179.25 181.35 1fr1 h LEU 131 N 0.00 0.02 -0.22 0.00 5.85 -0.93 0.17 115.31 120.20 1fr1 h LEU 131 Ca -0.01 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1fr1 h LEU 131 Cb 1.34 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 1fr1 h LEU 131 CO 0.09 0.21 -0.04 0.25 -0.34 0.00 0.00 178.44 178.61 1fr1 h LEU 132 N -0.17 -0.17 -0.39 2.25 5.85 -1.54 0.14 115.31 121.28 1fr1 h LEU 132 Ca 0.00 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1fr1 h LEU 132 Cb 0.20 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1fr1 h LEU 132 CO -0.00 -0.06 0.05 -0.09 -0.34 0.00 0.00 178.44 178.00 1fr1 h ARG 133 N 0.02 0.16 -0.11 1.25 9.65 -1.44 -0.32 114.38 123.60 1fr1 h ARG 133 Ca 0.11 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.02 1fr1 h ARG 133 Cb 0.15 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.64 1fr1 h ARG 133 CO -0.21 0.11 -0.35 0.35 2.80 0.00 0.00 179.97 182.67 1fr1 h PHE 134 N 0.17 -0.97 -0.18 2.20 3.57 0.13 -2.38 116.94 119.48 1fr1 h PHE 134 Ca 0.19 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1fr1 h PHE 134 Cb 0.25 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1fr1 h PHE 134 CO -0.22 -0.43 0.12 1.88 -2.23 0.00 0.00 178.31 177.43 1fr1 h TYR 135 N -0.44 0.23 -0.90 0.41 0.05 -0.54 -0.23 116.97 115.55 1fr1 h TYR 135 Ca 0.08 0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.07 1fr1 h TYR 135 Cb 0.57 -0.08 -0.07 0.00 1.01 0.00 0.00 36.73 38.17 1fr1 h TYR 135 CO -0.42 0.16 0.59 1.96 -1.05 0.00 0.00 178.16 179.40 1fr1 h GLN 136 N 0.24 0.42 0.00 4.88 4.20 -0.86 -1.98 115.11 122.01 1fr1 h GLN 136 Ca 0.07 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1fr1 h GLN 136 Cb -0.01 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1fr1 h GLN 136 CO -0.01 0.28 -1.61 0.09 -0.67 0.00 0.00 178.83 176.90 1fr1 n ASN 137 N -4.52 0.36 -4.59 1.46 5.03 -0.91 -4.75 115.26 107.34 1fr1 n ASN 137 Ca 0.19 -0.31 -0.48 0.00 0.87 0.00 0.00 54.58 54.86 1fr1 n ASN 137 Cb 0.68 1.58 -0.04 0.00 -1.02 0.00 0.00 39.78 40.99 1fr1 n ASN 137 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 1fr1 n TRP 138 N -2.02 1.38 -4.45 3.10 -0.00 -0.11 -4.96 117.44 110.38 1fr1 n TRP 138 Ca -0.01 0.65 -0.33 0.00 -0.00 0.00 0.00 57.50 57.81 1fr1 n TRP 138 Cb 0.49 -2.30 -0.16 0.00 -0.00 0.00 0.00 31.31 29.34 1fr1 n TRP 138 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 177.69 178.83 1fr1 s GLN 139 N -0.51 3.04 0.49 5.87 -2.07 -1.26 -4.97 119.66 120.25 1fr1 s GLN 139 Ca 0.71 -0.83 -0.21 0.00 -1.82 0.00 0.00 55.36 53.21 1fr1 s GLN 139 Cb -0.81 -2.52 -0.07 0.00 -1.09 0.00 0.00 33.01 28.52 1fr1 s GLN 139 CO 0.53 -0.08 1.13 -1.25 -1.32 0.00 0.00 175.29 174.30 1fr1 s PRO 140 N 0.99 3.61 0.10 9.60 0.05 -1.26 -4.99 135.00 143.11 1fr1 s PRO 140 Ca -0.02 1.66 0.19 0.00 0.05 0.00 0.00 61.00 62.88 1fr1 s PRO 140 Cb -0.15 -2.22 -0.10 0.00 0.05 0.00 0.00 34.50 32.08 1fr1 s PRO 140 CO -0.05 -0.65 0.87 1.04 0.05 0.00 0.00 177.00 178.26 1fr1 n GLN 141 N -0.84 0.62 -4.11 4.56 6.02 -0.07 -4.97 117.38 118.59 1fr1 n GLN 141 Ca 0.09 0.17 -0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1fr1 n GLN 141 Cb 0.50 -1.80 -0.09 0.00 1.02 0.00 0.00 30.24 29.87 1fr1 n GLN 141 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1fr1 s TRP 142 N -3.10 0.81 0.40 1.08 0.51 -1.17 -5.04 118.94 112.43 1fr1 s TRP 142 Ca -0.02 -1.12 -0.22 0.00 -2.12 0.00 0.00 56.10 52.62 1fr1 s TRP 142 Cb 0.09 -0.32 -0.11 0.00 -0.81 0.00 0.00 33.47 32.33 1fr1 s TRP 142 CO 0.81 -0.69 0.94 0.00 -0.51 0.00 0.00 176.95 177.50 1fr1 s ALA 143 N -4.07 3.09 0.38 0.98 0.00 -1.26 -4.51 121.76 116.37 1fr1 s ALA 143 Ca 0.29 0.41 -0.24 0.00 0.00 0.00 0.00 51.96 52.42 1fr1 s ALA 143 Cb 0.05 -3.14 -0.13 0.00 0.00 0.00 0.00 23.12 19.90 1fr1 s ALA 143 CO 0.07 0.15 0.60 -2.30 0.00 0.00 0.00 175.76 174.28 1fr1 n PRO 144 N -0.35 0.61 -0.65 0.00 -0.02 -1.26 -1.74 135.00 131.60 1fr1 n PRO 144 Ca 0.06 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1fr1 n PRO 144 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1fr1 n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fr1 n GLY 145 N 1.74 0.68 0.12 -1.23 0.00 0.80 -4.87 105.19 102.43 1fr1 n GLY 145 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1fr1 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fr1 h ALA 146 N 0.00 0.10 -2.71 4.61 0.00 -1.54 -3.42 119.26 116.30 1fr1 h ALA 146 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 1fr1 h ALA 146 Cb 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.60 1fr1 h ALA 146 CO 0.00 0.17 -0.54 0.15 0.00 0.00 0.00 179.25 179.04 1fr1 s LYS 147 N -3.52 0.50 -0.16 0.00 1.02 -1.26 -2.03 119.74 114.30 1fr1 s LYS 147 Ca -0.14 -0.59 -0.08 0.00 0.02 0.00 0.00 55.97 55.18 1fr1 s LYS 147 Cb 0.03 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.50 1fr1 s LYS 147 CO 0.77 -0.12 0.11 0.50 -0.92 0.00 0.00 175.35 175.69 1fr1 s ARG 148 N -1.93 3.77 -0.29 1.68 3.52 -0.02 -4.27 118.95 121.40 1fr1 s ARG 148 Ca -0.11 -0.23 -0.03 0.00 -0.13 0.00 0.00 55.73 55.23 1fr1 s ARG 148 Cb -0.05 -3.24 0.10 0.00 -1.56 0.00 0.00 34.95 30.20 1fr1 s ARG 148 CO -0.01 0.50 0.12 -1.17 -0.81 0.00 0.00 175.30 173.93 1fr1 s LEU 149 N -0.25 1.08 -0.19 -0.88 2.96 -0.21 -2.10 118.68 119.10 1fr1 s LEU 149 Ca 0.10 -1.39 -0.40 0.00 -0.22 0.00 0.00 54.13 52.22 1fr1 s LEU 149 Cb -0.12 -0.51 -0.17 0.00 0.50 0.00 0.00 46.19 45.89 1fr1 s LEU 149 CO 0.01 -0.43 1.58 0.00 -1.32 0.00 0.00 176.35 176.19 1fr1 n TYR 150 N 5.12 1.80 -3.73 5.38 4.19 -1.26 -4.81 117.16 123.85 1fr1 n TYR 150 Ca -0.05 0.66 -0.13 0.00 3.31 0.00 0.00 57.90 61.68 1fr1 n TYR 150 Cb 0.42 -2.38 -0.10 0.00 0.49 0.00 0.00 39.34 37.77 1fr1 n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1fr1 s ALA 151 N 2.45 -1.05 0.19 2.98 0.00 -1.26 -4.39 121.76 120.69 1fr1 s ALA 151 Ca 0.95 1.13 0.10 0.00 0.00 0.00 0.00 51.96 54.14 1fr1 s ALA 151 Cb -1.09 -0.62 0.16 0.00 0.00 0.00 0.00 23.12 21.57 1fr1 s ALA 151 CO 0.62 -0.21 1.49 -0.91 0.00 0.00 0.00 175.76 176.75 1fr1 h ASN 152 N 5.29 0.00 0.03 0.00 2.35 -1.19 -2.94 115.58 119.11 1fr1 h ASN 152 Ca -0.27 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1fr1 h ASN 152 Cb 1.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.55 1fr1 h ASN 152 CO 0.25 0.73 -0.01 0.28 -1.65 0.00 0.00 177.43 177.03 1fr1 h SER 153 N 0.00 0.00 0.00 5.81 0.02 -1.67 0.36 113.55 118.08 1fr1 h SER 153 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1fr1 h SER 153 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1fr1 h SER 153 CO 0.10 0.01 -0.12 -1.28 -1.14 0.00 0.00 176.83 174.40 1fr1 h SER 154 N 0.00 0.00 0.27 3.07 0.87 -1.79 -3.33 113.55 112.64 1fr1 h SER 154 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1fr1 h SER 154 Cb 0.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1fr1 h SER 154 CO 0.00 0.36 -0.28 -0.29 -0.53 0.00 0.00 176.83 176.09 1fr1 h ILE 155 N -0.60 1.21 -0.74 2.23 2.10 -1.40 -2.19 117.51 118.11 1fr1 h ILE 155 Ca 0.00 -0.98 -0.02 0.00 1.08 0.00 0.00 64.86 64.94 1fr1 h ILE 155 Cb 0.12 1.51 -0.03 0.00 -1.09 0.00 0.00 36.82 37.33 1fr1 h ILE 155 CO 0.00 0.28 0.39 1.23 -1.08 0.00 0.00 178.15 178.97 1fr1 h GLY 156 N 0.86 1.13 1.07 8.18 0.00 -1.12 -1.61 103.07 111.57 1fr1 h GLY 156 Ca 0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 47.33 46.63 1fr1 h GLY 156 CO 0.04 0.51 -0.49 -2.00 0.00 0.00 0.00 176.54 174.60 1fr1 h LEU 157 N 1.03 0.88 -0.25 3.11 5.85 -1.59 -2.35 115.31 121.99 1fr1 h LEU 157 Ca 0.26 -0.54 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1fr1 h LEU 157 Cb 0.07 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 1fr1 h LEU 157 CO -0.04 1.25 -0.55 0.15 -0.34 0.00 0.00 178.44 178.91 1fr1 h PHE 158 N 0.53 -1.66 -0.72 1.25 3.57 -1.16 0.31 116.94 119.06 1fr1 h PHE 158 Ca 0.01 0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.70 1fr1 h PHE 158 Cb 1.10 0.76 -0.08 0.00 2.79 0.00 0.00 35.95 40.51 1fr1 h PHE 158 CO 0.08 -0.53 0.30 0.78 -2.23 0.00 0.00 178.31 176.71 1fr1 h GLY 159 N -0.51 1.07 1.00 2.40 0.00 -1.24 0.16 103.07 105.95 1fr1 h GLY 159 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1fr1 h GLY 159 CO -0.50 -0.04 0.35 0.00 0.00 0.00 0.00 176.54 176.35 1fr1 h ALA 160 N 1.49 0.74 0.10 3.60 0.00 -0.64 -3.23 119.26 121.33 1fr1 h ALA 160 Ca 0.38 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 1fr1 h ALA 160 Cb 0.52 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1fr1 h ALA 160 CO -0.35 0.22 -0.93 -0.07 0.00 0.00 0.00 179.25 178.12 1fr1 h LEU 161 N 0.79 0.64 -2.00 0.00 3.38 0.53 -3.35 115.31 115.30 1fr1 h LEU 161 Ca 0.21 -0.85 0.19 0.00 0.09 0.00 0.00 57.88 57.51 1fr1 h LEU 161 Cb -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1fr1 h LEU 161 CO -0.04 1.43 0.48 0.00 0.09 0.00 0.00 178.44 180.41 1fr1 h ALA 162 N 0.22 2.57 -0.02 1.53 0.00 -0.73 -0.42 119.26 122.40 1fr1 h ALA 162 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1fr1 h ALA 162 Cb 1.67 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1fr1 h ALA 162 CO 0.18 -0.82 -0.04 0.28 0.00 0.00 0.00 179.25 178.86 1fr1 n VAL 163 N -4.23 0.00 0.28 0.00 0.31 -1.22 -4.46 118.33 109.00 1fr1 n VAL 163 Ca 0.12 -0.26 -0.16 0.00 -0.01 0.00 0.00 64.34 64.04 1fr1 n VAL 163 Cb 0.74 0.59 -0.08 0.00 -0.91 0.00 0.00 33.84 34.17 1fr1 n VAL 163 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1fr1 h LYS 164 N 2.44 -0.68 -0.96 5.55 1.79 -1.24 -3.11 116.57 120.35 1fr1 h LYS 164 Ca 0.00 0.05 0.15 0.00 -2.18 0.00 0.00 60.65 58.67 1fr1 h LYS 164 Cb 0.55 0.15 -0.16 0.00 -1.58 0.00 0.00 32.23 31.20 1fr1 h LYS 164 CO 0.00 -0.40 -0.37 -1.35 -1.08 0.00 0.00 179.45 176.25 1fr1 h PRO 165 N -0.85 -0.01 -0.30 3.15 0.11 -1.79 0.73 132.00 133.04 1fr1 h PRO 165 Ca -0.07 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.13 1fr1 h PRO 165 Cb 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1fr1 h PRO 165 CO 0.12 -0.01 0.37 0.66 -0.21 0.00 0.00 178.00 178.93 1fr1 h SER 166 N -0.01 0.00 0.00 -2.05 4.64 -1.84 -3.45 113.55 110.83 1fr1 h SER 166 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1fr1 h SER 166 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1fr1 h SER 166 CO -0.97 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.60 1fr1 n GLY 167 N -1.43 0.75 3.91 -0.77 0.00 0.25 -5.00 105.19 102.89 1fr1 n GLY 167 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1fr1 n GLY 167 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fr1 s MET 168 N -0.18 3.23 0.54 1.61 -1.94 -1.26 -5.10 119.30 116.20 1fr1 s MET 168 Ca 0.00 -0.85 -0.19 0.00 -1.71 0.00 0.00 55.69 52.94 1fr1 s MET 168 Cb 0.00 -2.77 -0.06 0.00 2.01 0.00 0.00 34.83 34.01 1fr1 s MET 168 CO 0.00 0.43 1.08 0.45 -0.01 0.00 0.00 175.02 176.97 1fr1 s SER 169 N -3.82 5.95 0.21 3.03 0.15 -1.26 -4.73 113.70 113.23 1fr1 s SER 169 Ca 0.33 2.00 -0.15 0.00 0.70 0.00 0.00 55.95 58.83 1fr1 s SER 169 Cb -0.09 -2.56 0.23 0.00 -1.71 0.00 0.00 66.02 61.89 1fr1 s SER 169 CO 0.27 -1.06 1.61 0.22 1.20 0.00 0.00 173.24 175.48 1fr1 h TYR 170 N 1.13 -0.52 -0.70 3.44 5.03 -1.91 0.15 116.97 123.58 1fr1 h TYR 170 Ca -0.49 0.07 -0.02 0.00 2.58 0.00 0.00 58.73 60.87 1fr1 h TYR 170 Cb 1.24 0.33 -0.03 0.00 1.55 0.00 0.00 36.73 39.81 1fr1 h TYR 170 CO 0.55 -0.32 0.37 1.49 -1.32 0.00 0.00 178.16 178.93 1fr1 h GLU 171 N -0.04 0.99 0.03 1.82 4.81 -1.97 0.27 114.58 120.48 1fr1 h GLU 171 Ca 0.31 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1fr1 h GLU 171 Cb 0.52 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1fr1 h GLU 171 CO -0.71 0.76 -0.01 1.49 -0.73 0.00 0.00 179.01 179.81 1fr1 h GLU 172 N 0.97 -0.03 -0.52 1.92 4.81 -1.63 -0.76 114.58 119.34 1fr1 h GLU 172 Ca 0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1fr1 h GLU 172 Cb 0.07 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1fr1 h GLU 172 CO -0.04 0.16 0.31 0.00 -0.73 0.00 0.00 179.01 178.71 1fr1 h ALA 173 N 0.75 0.67 -0.71 2.92 0.00 -0.89 0.36 119.26 122.35 1fr1 h ALA 173 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1fr1 h ALA 173 Cb 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1fr1 h ALA 173 CO 0.01 0.16 0.40 1.98 0.00 0.00 0.00 179.25 181.79 1fr1 h MET 174 N 0.70 0.99 0.63 0.00 1.85 -0.39 0.52 114.93 119.23 1fr1 h MET 174 Ca 0.19 -0.11 -0.03 0.00 -0.61 0.00 0.00 59.70 59.14 1fr1 h MET 174 Cb -0.00 -0.20 0.01 0.00 0.43 0.00 0.00 31.60 31.83 1fr1 h MET 174 CO -0.03 0.73 -0.30 1.03 -0.40 0.00 0.00 176.91 177.93 1fr1 h SER 175 N 0.98 -0.71 -0.28 1.39 0.87 -0.46 -1.09 113.55 114.25 1fr1 h SER 175 Ca 0.25 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1fr1 h SER 175 Cb 0.02 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1fr1 h SER 175 CO -0.04 -0.40 0.08 0.11 -0.53 0.00 0.00 176.83 176.05 1fr1 h LYS 176 N -1.02 0.44 0.13 2.24 1.57 -0.26 0.97 116.57 120.64 1fr1 h LYS 176 Ca -0.09 -0.10 -0.28 0.00 -1.87 0.00 0.00 60.65 58.32 1fr1 h LYS 176 Cb 0.69 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.95 1fr1 h LYS 176 CO 0.14 0.52 -1.24 0.00 -0.57 0.00 0.00 179.45 178.30 1fr1 h ARG 177 N 0.29 0.32 0.00 3.15 3.08 -0.03 -3.40 114.38 117.79 1fr1 h ARG 177 Ca 0.09 -0.51 -0.04 0.00 0.07 0.00 0.00 59.98 59.58 1fr1 h ARG 177 Cb 0.27 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1fr1 h ARG 177 CO -0.00 1.23 -0.68 0.28 -1.07 0.00 0.00 179.97 179.74 1fr1 n VAL 178 N -3.58 0.98 0.16 2.04 0.31 -0.67 -4.65 118.33 112.93 1fr1 n VAL 178 Ca -0.09 0.18 -0.14 0.00 -0.01 0.00 0.00 64.34 64.28 1fr1 n VAL 178 Cb 1.01 -1.72 -0.08 0.00 -0.91 0.00 0.00 33.84 32.14 1fr1 n VAL 178 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1fr1 h LEU 179 N -0.26 -0.30 0.74 7.52 3.38 -1.17 -2.89 115.31 122.33 1fr1 h LEU 179 Ca -0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1fr1 h LEU 179 Cb 0.59 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1fr1 h LEU 179 CO -0.04 -0.18 -0.38 0.45 0.09 0.00 0.00 178.44 178.38 1fr1 h HIS 180 N -0.38 -0.99 -0.80 1.13 3.86 -1.02 -0.85 115.15 116.10 1fr1 h HIS 180 Ca -0.04 -0.02 0.19 0.00 -1.16 0.00 0.00 60.37 59.34 1fr1 h HIS 180 Cb 0.29 0.33 -0.12 0.00 1.06 0.00 0.00 27.41 28.98 1fr1 h HIS 180 CO -0.05 -0.60 0.21 -1.35 0.86 0.00 0.00 177.93 177.00 1fr1 h PRO 181 N -1.02 0.26 -0.00 2.45 0.10 -1.76 -0.58 132.00 131.44 1fr1 h PRO 181 Ca -0.10 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.99 1fr1 h PRO 181 Cb 0.80 -0.06 0.00 0.00 0.10 0.00 0.00 31.00 31.84 1fr1 h PRO 181 CO 0.15 0.17 -0.09 1.28 0.10 0.00 0.00 178.00 179.61 1fr1 n LEU 182 N -5.17 0.25 -2.88 2.35 4.77 -1.09 -4.93 117.00 110.29 1fr1 n LEU 182 Ca 0.17 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1fr1 n LEU 182 Cb 0.54 -0.27 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 1fr1 n LEU 182 CO 0.10 0.05 0.07 0.29 -1.33 0.00 0.00 177.39 176.57 1fr1 n LYS 183 N -1.19 -4.33 -3.29 3.23 5.02 -0.22 -4.95 118.16 112.42 1fr1 n LYS 183 Ca 0.13 0.67 -0.45 0.00 -2.02 0.00 0.00 58.31 56.63 1fr1 n LYS 183 Cb 0.28 -5.06 -0.01 0.00 -0.02 0.00 0.00 35.03 30.22 1fr1 n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fr1 s LEU 184 N -5.26 6.33 0.16 -0.35 1.43 -0.41 -4.84 118.68 115.73 1fr1 s LEU 184 Ca 0.09 -3.25 0.26 0.00 -1.03 0.00 0.00 54.13 50.20 1fr1 s LEU 184 Cb -0.01 -2.23 0.91 0.00 0.03 0.00 0.00 46.19 44.89 1fr1 s LEU 184 CO 0.57 -0.43 1.80 0.00 0.23 0.00 0.00 176.35 178.52 1fr1 n ALA 185 N 3.40 2.24 -1.85 4.21 0.00 -1.26 -3.90 120.51 123.35 1fr1 n ALA 185 Ca 0.22 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.54 1fr1 n ALA 185 Cb 0.42 -1.46 0.11 0.00 0.00 0.00 0.00 19.45 18.52 1fr1 n ALA 185 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fr1 n HIS 186 N -2.08 1.35 -4.15 0.00 8.25 -1.26 -4.99 115.22 112.34 1fr1 n HIS 186 Ca 0.06 -1.84 -0.28 0.00 -0.26 0.00 0.00 57.72 55.40 1fr1 n HIS 186 Cb 0.39 -0.29 -0.17 0.00 1.12 0.00 0.00 29.99 31.04 1fr1 n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1fr1 s THR 187 N -3.84 1.29 0.10 1.59 2.01 -1.25 -3.00 115.64 112.53 1fr1 s THR 187 Ca 0.44 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1fr1 s THR 187 Cb 0.39 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 1fr1 s THR 187 CO -0.02 0.41 -0.08 0.26 -0.69 0.00 0.00 174.62 174.49 1fr1 s TRP 188 N 1.34 0.99 -0.26 4.92 0.52 0.63 -4.96 118.94 122.11 1fr1 s TRP 188 Ca -0.00 -0.77 -0.15 0.00 0.02 0.00 0.00 56.10 55.20 1fr1 s TRP 188 Cb -0.14 -0.55 -0.11 0.00 -1.15 0.00 0.00 33.47 31.53 1fr1 s TRP 188 CO -0.06 -0.06 -0.35 -0.89 0.02 0.00 0.00 176.95 175.62 1fr1 n ILE 189 N 0.25 1.52 -3.86 2.03 5.41 -1.26 0.40 119.36 123.85 1fr1 n ILE 189 Ca -0.14 -0.29 -0.36 0.00 1.00 0.00 0.00 62.75 62.97 1fr1 n ILE 189 Cb 0.59 -1.97 -0.13 0.00 -0.71 0.00 0.00 39.64 37.42 1fr1 n ILE 189 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1fr1 s THR 190 N -2.58 3.23 -0.24 1.39 2.01 -1.26 -4.80 115.64 113.38 1fr1 s THR 190 Ca -0.37 -1.29 -0.27 0.00 0.31 0.00 0.00 61.69 60.07 1fr1 s THR 190 Cb 0.13 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.80 1fr1 s THR 190 CO 0.48 -0.12 0.95 0.54 -0.69 0.00 0.00 174.62 175.79 1fr1 s VAL 191 N 1.30 4.73 0.68 3.82 0.11 -1.26 -5.01 120.40 124.77 1fr1 s VAL 191 Ca -0.04 1.81 -0.17 0.00 -2.93 0.00 0.00 61.98 60.65 1fr1 s VAL 191 Cb -0.20 -4.24 0.01 0.00 -1.53 0.00 0.00 36.38 30.42 1fr1 s VAL 191 CO 0.00 -0.16 1.28 -2.84 -3.33 0.00 0.00 175.10 170.05 1fr1 s PRO 192 N 3.09 2.38 0.34 1.54 0.02 -1.26 -4.85 135.00 136.26 1fr1 s PRO 192 Ca 0.40 2.01 0.09 0.00 0.02 0.00 0.00 61.00 63.52 1fr1 s PRO 192 Cb -0.15 -1.83 0.82 0.00 0.02 0.00 0.00 34.50 33.36 1fr1 s PRO 192 CO 0.07 -1.71 1.82 0.37 -0.33 0.00 0.00 177.00 177.22 1fr1 h GLN 193 N 0.27 0.67 0.00 5.54 -0.00 -2.00 -0.44 115.11 119.15 1fr1 h GLN 193 Ca -0.50 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.11 1fr1 h GLN 193 Cb 1.33 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 28.66 1fr1 h GLN 193 CO 0.52 0.44 0.00 0.66 0.00 0.00 0.00 178.83 180.45 1fr1 h SER 194 N 0.69 0.00 -0.01 -0.69 4.64 -2.03 -3.09 113.55 113.05 1fr1 h SER 194 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1fr1 h SER 194 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1fr1 h SER 194 CO -0.28 0.00 -0.41 -0.62 -0.87 0.00 0.00 176.83 174.65 1fr1 n GLU 195 N -2.93 1.82 -0.27 4.77 -0.58 -0.21 -4.63 120.64 118.61 1fr1 n GLU 195 Ca 0.01 -0.60 0.13 0.00 -0.42 0.00 0.00 57.16 56.28 1fr1 n GLU 195 Cb 0.28 -1.24 0.40 0.00 -0.57 0.00 0.00 31.44 30.31 1fr1 n GLU 195 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1fr1 h GLN 196 N 1.31 0.62 -0.54 3.49 5.75 -1.37 -1.00 115.11 123.36 1fr1 h GLN 196 Ca 0.00 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 1fr1 h GLN 196 Cb 0.48 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 1fr1 h GLN 196 CO 0.00 0.41 0.36 1.57 -2.65 0.00 0.00 178.83 178.52 1fr1 h LYS 197 N 0.64 0.43 -0.01 1.69 5.09 -1.82 -0.84 116.57 121.74 1fr1 h LYS 197 Ca 0.46 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 61.18 1fr1 h LYS 197 Cb 0.82 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.05 1fr1 h LYS 197 CO -0.21 0.28 -0.06 -0.25 -2.09 0.00 0.00 179.45 177.12 1fr1 n ASP 198 N -4.47 1.36 -4.55 7.07 8.00 -0.38 -4.81 116.55 118.76 1fr1 n ASP 198 Ca 0.08 -1.35 -0.41 0.00 0.71 0.00 0.00 54.79 53.83 1fr1 n ASP 198 Cb 0.29 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 1fr1 n ASP 198 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1fr1 s TYR 199 N -2.12 2.27 0.77 1.24 6.14 -0.32 -0.28 117.35 125.06 1fr1 s TYR 199 Ca 0.35 -0.11 -0.15 0.00 0.64 0.00 0.00 57.07 57.79 1fr1 s TYR 199 Cb 0.21 -4.59 -0.02 0.00 0.42 0.00 0.00 41.96 37.97 1fr1 s TYR 199 CO 0.38 -2.07 0.53 0.00 0.64 0.00 0.00 175.55 175.03 1fr1 n ALA 200 N 9.61 -1.65 -2.62 3.97 0.00 -0.84 -4.95 120.51 124.02 1fr1 n ALA 200 Ca 0.10 -0.31 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 1fr1 n ALA 200 Cb 0.50 -1.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.03 1fr1 n ALA 200 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1fr1 s TRP 201 N -2.00 3.58 0.07 0.00 0.52 0.10 -4.94 118.94 116.26 1fr1 s TRP 201 Ca 0.64 0.73 -0.01 0.00 0.02 0.00 0.00 56.10 57.49 1fr1 s TRP 201 Cb -0.32 -2.12 -0.04 0.00 -1.15 0.00 0.00 33.47 29.84 1fr1 s TRP 201 CO 0.59 0.55 0.23 0.20 0.02 0.00 0.00 176.95 178.55 1fr1 s GLY 202 N -1.73 2.20 -0.14 0.98 0.00 -0.81 -4.80 107.32 103.02 1fr1 s GLY 202 Ca 0.31 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.27 1fr1 s GLY 202 CO 0.17 -0.76 -0.21 -0.19 0.00 0.00 0.00 173.10 172.11 1fr1 s TYR 203 N -1.52 2.59 -0.09 1.90 1.51 -0.44 0.74 117.35 122.04 1fr1 s TYR 203 Ca 0.35 -1.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.11 1fr1 s TYR 203 Cb -0.13 -1.77 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1fr1 s TYR 203 CO 0.27 -0.59 -0.03 0.50 -1.11 0.00 0.00 175.55 174.59 1fr1 s ARG 204 N 0.81 1.00 -1.49 -0.62 3.52 0.63 -4.34 118.95 118.46 1fr1 s ARG 204 Ca -0.07 -0.05 -0.12 0.00 -0.13 0.00 0.00 55.73 55.35 1fr1 s ARG 204 Cb -0.16 -1.24 0.07 0.00 -1.56 0.00 0.00 34.95 32.06 1fr1 s ARG 204 CO -0.02 -0.29 1.01 0.39 -0.81 0.00 0.00 175.30 175.58 1fr1 n GLU 205 N 5.06 -5.95 -1.07 5.12 -0.58 -1.26 -1.56 120.64 120.41 1fr1 n GLU 205 Ca -0.09 0.64 -0.02 0.00 -0.42 0.00 0.00 57.16 57.26 1fr1 n GLU 205 Cb 0.50 -5.55 -0.01 0.00 -0.57 0.00 0.00 31.44 25.81 1fr1 n GLU 205 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fr1 n GLY 206 N -1.74 0.55 3.23 0.62 0.00 -1.26 -5.03 105.19 101.55 1fr1 n GLY 206 Ca 0.02 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 1fr1 n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr1 s LYS 207 N -1.33 1.69 0.03 1.61 1.02 -0.60 -5.09 119.74 117.08 1fr1 s LYS 207 Ca 0.00 -0.77 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 1fr1 s LYS 207 Cb 0.00 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 1fr1 s LYS 207 CO 0.00 0.45 0.99 -1.25 -0.92 0.00 0.00 175.35 174.62 1fr1 s PRO 208 N -0.55 4.58 0.05 -1.68 0.04 -1.25 -0.27 135.00 135.93 1fr1 s PRO 208 Ca 0.08 1.46 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 1fr1 s PRO 208 Cb -0.08 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1fr1 s PRO 208 CO -0.01 0.00 -0.01 0.14 0.04 0.00 0.00 177.00 177.17 1fr1 s VAL 209 N 0.75 0.21 0.06 -0.36 -7.23 0.23 -4.91 120.40 109.14 1fr1 s VAL 209 Ca 0.51 -1.71 0.06 0.00 -1.81 0.00 0.00 61.98 59.03 1fr1 s VAL 209 Cb -0.22 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1fr1 s VAL 209 CO 0.29 -0.94 -0.16 -1.00 -0.31 0.00 0.00 175.10 172.97 1fr1 s HIS 210 N -3.80 1.40 0.56 2.82 3.76 -1.26 -1.92 115.29 116.85 1fr1 s HIS 210 Ca 0.06 -0.40 -0.20 0.00 -0.15 0.00 0.00 55.06 54.37 1fr1 s HIS 210 Cb 0.07 -0.81 -0.07 0.00 1.11 0.00 0.00 32.58 32.88 1fr1 s HIS 210 CO -0.10 0.08 0.88 1.55 -0.85 0.00 0.00 174.74 176.31 1fr1 n VAL 211 N 1.56 3.13 -3.66 -0.90 3.14 -1.26 -4.98 118.33 115.35 1fr1 n VAL 211 Ca -0.19 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.40 1fr1 n VAL 211 Cb 0.54 -1.05 -0.04 0.00 -1.06 0.00 0.00 33.84 32.23 1fr1 n VAL 211 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1fr1 s SER 212 N -1.12 6.42 0.63 6.55 0.15 -1.26 -5.06 113.70 120.02 1fr1 s SER 212 Ca 0.72 0.48 -0.18 0.00 0.70 0.00 0.00 55.95 57.67 1fr1 s SER 212 Cb -0.45 -2.05 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1fr1 s SER 212 CO 0.51 -0.02 1.24 -2.84 1.20 0.00 0.00 173.24 173.33 1fr1 s PRO 213 N -3.10 2.70 0.16 5.44 0.02 -1.26 -5.02 135.00 133.94 1fr1 s PRO 213 Ca 0.40 1.91 -0.24 0.00 0.02 0.00 0.00 61.00 63.09 1fr1 s PRO 213 Cb -0.11 -1.88 0.06 0.00 0.02 0.00 0.00 34.50 32.58 1fr1 s PRO 213 CO 0.28 -1.45 0.82 0.20 -0.33 0.00 0.00 177.00 176.52 1fr1 s GLY 214 N -1.57 -0.29 0.19 0.52 0.00 -1.26 -5.07 107.32 99.83 1fr1 s GLY 214 Ca 0.79 0.21 -0.30 0.00 0.00 0.00 0.00 44.72 45.42 1fr1 s GLY 214 CO 0.37 0.06 1.17 1.20 0.00 0.00 0.00 173.10 175.90 1fr1 s GLN 215 N -3.52 4.52 -1.75 2.90 -1.52 -1.26 -2.93 119.66 116.10 1fr1 s GLN 215 Ca 0.09 1.83 0.00 0.00 -1.95 0.00 0.00 55.36 55.33 1fr1 s GLN 215 Cb -0.03 -3.25 0.00 0.00 -0.22 0.00 0.00 33.01 29.52 1fr1 s GLN 215 CO -0.01 -0.03 0.00 1.28 -0.25 0.00 0.00 175.29 176.28 1fr1 n LEU 216 N 2.39 -1.52 0.17 2.90 4.77 -1.26 -4.91 117.00 119.55 1fr1 n LEU 216 Ca 0.04 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 1fr1 n LEU 216 Cb 0.45 -2.56 -0.08 0.00 -2.33 0.00 0.00 43.42 38.90 1fr1 n LEU 216 CO 0.55 -0.63 0.55 -2.24 -1.33 0.00 0.00 177.39 174.29 1fr1 h ASP 217 N 0.00 -0.38 -0.79 -1.43 -0.00 -1.94 -2.23 116.42 109.66 1fr1 h ASP 217 Ca -0.39 -0.15 0.18 0.00 -0.00 0.00 0.00 57.03 56.66 1fr1 h ASP 217 Cb 1.23 0.10 -0.11 0.00 -0.00 0.00 0.00 39.33 40.54 1fr1 h ASP 217 CO 0.52 -0.03 0.24 0.00 -0.00 0.00 0.00 179.24 179.98 1fr1 h ALA 218 N -0.25 1.10 -0.06 4.15 0.00 -1.90 0.34 119.26 122.64 1fr1 h ALA 218 Ca -0.05 0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1fr1 h ALA 218 Cb 0.51 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1fr1 h ALA 218 CO 0.07 -0.33 -0.87 0.93 0.00 0.00 0.00 179.25 179.06 1fr1 h GLU 219 N 0.32 0.56 0.01 0.00 3.07 -1.88 -3.36 114.58 113.30 1fr1 h GLU 219 Ca 0.46 -0.53 -0.38 0.00 -0.50 0.00 0.00 59.36 58.41 1fr1 h GLU 219 Cb 0.80 0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 28.78 1fr1 h GLU 219 CO -0.51 1.15 -2.42 0.00 -1.40 0.00 0.00 179.01 175.83 1fr1 n ALA 220 N -2.57 1.43 -2.01 3.43 0.00 -0.84 -4.55 120.51 115.40 1fr1 n ALA 220 Ca -0.07 -1.14 -0.07 0.00 0.00 0.00 0.00 53.44 52.16 1fr1 n ALA 220 Cb 0.79 -0.16 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 1fr1 n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1fr1 n TYR 221 N -3.13 -0.03 -0.24 0.00 4.11 0.11 -4.15 117.16 113.83 1fr1 n TYR 221 Ca -0.41 -0.51 0.10 0.00 -0.00 0.00 0.00 57.90 57.07 1fr1 n TYR 221 Cb 1.04 0.51 0.25 0.00 -0.00 0.00 0.00 39.34 41.14 1fr1 n TYR 221 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1fr1 n GLY 222 N -0.02 2.48 3.76 -7.48 0.00 -0.49 -3.89 105.19 99.56 1fr1 n GLY 222 Ca -0.28 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1fr1 n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fr1 s VAL 223 N -1.03 4.34 -0.07 1.61 1.01 -1.26 -4.39 120.40 120.60 1fr1 s VAL 223 Ca 0.39 1.81 0.05 0.00 0.00 0.00 0.00 61.98 64.23 1fr1 s VAL 223 Cb 0.20 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 1fr1 s VAL 223 CO 0.27 0.49 -0.23 -0.54 0.00 0.00 0.00 175.10 175.09 1fr1 s LYS 224 N -1.00 2.63 0.21 2.72 3.01 0.16 -2.02 119.74 125.45 1fr1 s LYS 224 Ca 0.38 -0.83 -0.09 0.00 -1.01 0.00 0.00 55.97 54.41 1fr1 s LYS 224 Cb -0.24 -2.11 -0.01 0.00 -1.01 0.00 0.00 37.83 34.46 1fr1 s LYS 224 CO 0.28 0.26 0.34 0.45 0.51 0.00 0.00 175.35 177.19 1fr1 s SER 225 N 0.12 -0.00 0.37 2.83 0.15 -0.75 -0.27 113.70 116.14 1fr1 s SER 225 Ca -0.11 -0.99 0.07 0.00 0.70 0.00 0.00 55.95 55.62 1fr1 s SER 225 Cb -0.15 0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1fr1 s SER 225 CO 0.06 -0.99 0.49 -0.94 1.20 0.00 0.00 173.24 173.05 1fr1 s SER 226 N -3.03 5.77 0.40 5.45 1.04 -1.16 -1.66 113.70 120.52 1fr1 s SER 226 Ca 0.24 -0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.42 1fr1 s SER 226 Cb 0.02 -0.98 0.84 0.00 0.10 0.00 0.00 66.02 66.01 1fr1 s SER 226 CO 0.06 -0.55 2.03 1.62 0.98 0.00 0.00 173.24 177.38 1fr1 h VAL 227 N 0.83 1.07 0.07 5.02 3.04 -1.76 0.40 116.25 124.93 1fr1 h VAL 227 Ca -0.43 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1fr1 h VAL 227 Cb 1.26 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1fr1 h VAL 227 CO 0.51 0.11 -0.03 0.40 -1.01 0.00 0.00 177.57 177.54 1fr1 h ILE 228 N 0.59 1.14 -0.48 3.17 2.04 -1.96 -1.38 117.51 120.64 1fr1 h ILE 228 Ca 0.20 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1fr1 h ILE 228 Cb 0.05 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1fr1 h ILE 228 CO -0.05 0.19 0.23 0.44 0.00 0.00 0.00 178.15 178.96 1fr1 h ASP 229 N -0.44 0.62 -0.98 1.72 3.45 -1.83 -1.89 116.42 117.07 1fr1 h ASP 229 Ca -0.01 -0.13 0.04 0.00 0.43 0.00 0.00 57.03 57.36 1fr1 h ASP 229 Cb 0.38 -0.16 -0.06 0.00 -0.56 0.00 0.00 39.33 38.94 1fr1 h ASP 229 CO 0.02 0.57 0.64 0.24 -1.57 0.00 0.00 179.24 179.14 1fr1 h MET 230 N 0.63 1.19 -0.54 3.56 2.86 -0.92 -0.53 114.93 121.18 1fr1 h MET 230 Ca 0.16 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1fr1 h MET 230 Cb 0.11 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 1fr1 h MET 230 CO -0.02 0.79 0.06 1.15 1.06 0.00 0.00 176.91 179.95 1fr1 h THR 231 N 1.23 1.24 -0.33 2.22 2.02 -0.81 -0.22 112.91 118.26 1fr1 h THR 231 Ca 0.39 -0.96 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 1fr1 h THR 231 Cb 0.02 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1fr1 h THR 231 CO -0.13 0.35 -0.30 0.03 0.37 0.00 0.00 175.52 175.84 1fr1 h ARG 232 N 0.83 0.70 0.27 6.66 3.08 -0.81 -1.60 114.38 123.52 1fr1 h ARG 232 Ca 0.17 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1fr1 h ARG 232 Cb 0.41 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1fr1 h ARG 232 CO 0.01 0.91 -0.16 2.35 -1.07 0.00 0.00 179.97 182.01 1fr1 h TRP 233 N 0.60 -0.43 -0.37 3.04 -0.00 -0.67 -1.23 115.95 116.89 1fr1 h TRP 233 Ca 0.07 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.93 1fr1 h TRP 233 Cb 0.81 0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 30.10 1fr1 h TRP 233 CO 0.04 -0.26 0.12 0.28 -0.00 0.00 0.00 178.44 178.62 1fr1 h VAL 234 N -0.42 1.16 -0.18 2.65 2.07 -1.03 -2.49 116.25 118.00 1fr1 h VAL 234 Ca -0.03 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1fr1 h VAL 234 Cb 0.35 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1fr1 h VAL 234 CO 0.03 0.19 -0.03 1.56 0.02 0.00 0.00 177.57 179.34 1fr1 h GLN 235 N 0.52 0.34 -0.68 1.57 4.20 -0.92 -1.33 115.11 118.82 1fr1 h GLN 235 Ca 0.13 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1fr1 h GLN 235 Cb 0.15 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1fr1 h GLN 235 CO -0.01 0.59 0.42 0.00 -0.67 0.00 0.00 178.83 179.16 1fr1 h ALA 236 N 0.74 0.86 -0.49 3.87 0.00 -1.17 -2.55 119.26 120.53 1fr1 h ALA 236 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1fr1 h ALA 236 Cb 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1fr1 h ALA 236 CO 0.02 0.33 -0.11 -0.91 0.00 0.00 0.00 179.25 178.57 1fr1 h ASN 237 N 0.92 0.94 -0.29 0.00 2.35 -1.44 -2.59 115.58 115.46 1fr1 h ASN 237 Ca 0.24 -0.36 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 1fr1 h ASN 237 Cb -0.04 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 1fr1 h ASN 237 CO -0.05 1.08 -0.13 -0.03 -1.65 0.00 0.00 177.43 176.66 1fr1 h MET 238 N 0.79 0.72 -1.91 0.81 4.05 -1.20 -3.39 114.93 114.79 1fr1 h MET 238 Ca 0.12 -0.24 -0.35 0.00 -0.28 0.00 0.00 59.70 58.95 1fr1 h MET 238 Cb 0.67 -0.06 -0.31 0.00 -0.80 0.00 0.00 31.60 31.10 1fr1 h MET 238 CO 0.05 0.82 -0.67 0.34 0.23 0.00 0.00 176.91 177.67 1fr1 s ASP 239 N -6.72 1.06 0.00 1.39 2.15 -0.96 -4.78 116.67 108.80 1fr1 s ASP 239 Ca -0.09 -1.52 0.11 0.00 0.43 0.00 0.00 52.55 51.48 1fr1 s ASP 239 Cb 0.14 0.62 0.50 0.00 -0.30 0.00 0.00 42.92 43.88 1fr1 s ASP 239 CO 0.81 -0.26 1.28 0.00 -0.17 0.00 0.00 175.17 176.84 1fr1 n ALA 240 N 4.28 1.58 -0.18 3.66 0.00 -0.98 -3.64 120.51 125.23 1fr1 n ALA 240 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1fr1 n ALA 240 Cb 0.46 -1.17 0.09 0.00 0.00 0.00 0.00 19.45 18.82 1fr1 n ALA 240 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1fr1 h SER 241 N 0.00 -0.03 -0.48 0.00 0.02 -1.94 -2.03 113.55 109.10 1fr1 h SER 241 Ca 0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1fr1 h SER 241 Cb 0.14 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1fr1 h SER 241 CO 0.00 0.00 0.28 0.06 -1.14 0.00 0.00 176.83 176.03 1fr1 h GLN 242 N 0.23 0.68 -6.62 3.45 3.07 -1.93 -3.43 115.11 110.56 1fr1 h GLN 242 Ca 0.29 -0.06 -0.53 0.00 0.09 0.00 0.00 58.65 58.44 1fr1 h GLN 242 Cb 0.41 -0.14 0.02 0.00 0.08 0.00 0.00 27.48 27.86 1fr1 h GLN 242 CO -0.38 0.50 0.64 0.14 0.09 0.00 0.00 178.83 179.82 1fr1 s VAL 243 N -5.49 3.39 -0.13 1.86 -7.23 -0.76 -4.93 120.40 107.11 1fr1 s VAL 243 Ca -0.09 1.09 0.13 0.00 -1.81 0.00 0.00 61.98 61.30 1fr1 s VAL 243 Cb 0.17 -3.70 -0.24 0.00 0.56 0.00 0.00 36.38 33.18 1fr1 s VAL 243 CO 0.75 0.13 0.34 0.00 -0.31 0.00 0.00 175.10 176.02 1fr1 n GLN 244 N 3.11 0.67 -1.88 4.82 6.02 -1.26 -4.78 117.38 124.07 1fr1 n GLN 244 Ca 0.08 0.16 -0.43 0.00 -0.01 0.00 0.00 57.00 56.80 1fr1 n GLN 244 Cb 0.43 -1.66 -0.03 0.00 1.02 0.00 0.00 30.24 30.01 1fr1 n GLN 244 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1fr1 s GLU 245 N -2.55 3.69 0.25 -1.09 0.41 -1.26 -4.86 118.70 113.30 1fr1 s GLU 245 Ca -0.10 1.96 -0.04 0.00 -0.41 0.00 0.00 54.97 56.38 1fr1 s GLU 245 Cb 0.07 -4.15 0.39 0.00 -1.78 0.00 0.00 34.13 28.65 1fr1 s GLU 245 CO 0.81 -1.44 1.84 -0.22 -0.49 0.00 0.00 175.26 175.77 1fr1 h LYS 246 N 11.85 0.93 0.00 1.61 1.63 -2.00 -1.67 116.57 128.92 1fr1 h LYS 246 Ca -0.39 -0.06 -0.16 0.00 -0.85 0.00 0.00 60.65 59.19 1fr1 h LYS 246 Cb 1.19 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.59 1fr1 h LYS 246 CO 0.98 0.62 -0.76 1.79 -3.45 0.00 0.00 179.45 178.62 1fr1 h THR 247 N 0.96 1.53 -0.09 1.00 1.35 -1.92 -2.66 112.91 113.08 1fr1 h THR 247 Ca 0.40 -2.63 -0.03 0.00 -0.55 0.00 0.00 66.41 63.60 1fr1 h THR 247 Cb 0.26 2.43 -0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1fr1 h THR 247 CO -0.20 0.75 -0.07 0.25 -0.25 0.00 0.00 175.52 176.00 1fr1 h LEU 248 N 0.00 0.22 -0.74 3.87 5.85 -1.79 -1.07 115.31 121.66 1fr1 h LEU 248 Ca -0.01 -0.46 0.08 0.00 0.84 0.00 0.00 57.88 58.34 1fr1 h LEU 248 Cb 1.37 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.27 1fr1 h LEU 248 CO 0.10 0.63 0.40 -0.61 -0.34 0.00 0.00 178.44 178.62 1fr1 h GLN 249 N -0.19 0.69 -0.21 1.25 4.15 -1.35 0.14 115.11 119.58 1fr1 h GLN 249 Ca 0.02 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 1fr1 h GLN 249 Cb 0.56 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1fr1 h GLN 249 CO 0.02 0.45 -0.12 1.96 -1.93 0.00 0.00 178.83 179.21 1fr1 h GLN 250 N 0.71 0.45 -0.24 1.69 4.20 -1.51 -2.62 115.11 117.79 1fr1 h GLN 250 Ca 0.35 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1fr1 h GLN 250 Cb 0.29 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1fr1 h GLN 250 CO -0.23 0.75 0.16 0.78 -0.67 0.00 0.00 178.83 179.62 1fr1 h GLY 251 N 0.15 0.34 -0.15 3.46 0.00 -0.67 -0.42 103.07 105.78 1fr1 h GLY 251 Ca 0.04 -0.13 0.10 0.00 0.00 0.00 0.00 47.33 47.34 1fr1 h GLY 251 CO 0.03 0.13 -0.23 -2.22 0.00 0.00 0.00 176.54 174.25 1fr1 h ILE 252 N 0.33 0.33 -0.31 2.60 2.04 -0.79 0.25 117.51 121.96 1fr1 h ILE 252 Ca 0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 1fr1 h ILE 252 Cb -0.03 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1fr1 h ILE 252 CO -0.02 0.00 -0.02 -0.08 0.00 0.00 0.00 178.15 178.03 1fr1 h GLU 253 N -0.12 0.47 -0.38 2.37 4.57 -1.05 -2.51 114.58 117.93 1fr1 h GLU 253 Ca 0.23 -0.10 -0.12 0.00 -1.18 0.00 0.00 59.36 58.18 1fr1 h GLU 253 Cb 0.48 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1fr1 h GLU 253 CO -0.56 0.52 -0.25 -0.07 -1.18 0.00 0.00 179.01 177.46 1fr1 h LEU 254 N 0.45 0.79 -1.94 1.64 3.38 0.21 -2.76 115.31 117.08 1fr1 h LEU 254 Ca 0.10 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1fr1 h LEU 254 Cb 0.33 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1fr1 h LEU 254 CO 0.01 1.01 -0.03 0.00 0.09 0.00 0.00 178.44 179.52 1fr1 h ALA 255 N 1.05 1.94 -0.15 1.53 0.00 -0.12 -2.38 119.26 121.12 1fr1 h ALA 255 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1fr1 h ALA 255 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1fr1 h ALA 255 CO 0.06 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.39 1fr1 n GLN 256 N -4.49 1.95 -1.63 0.00 6.02 -1.06 -1.19 117.38 116.97 1fr1 n GLN 256 Ca -0.03 -1.41 -0.32 0.00 -0.01 0.00 0.00 57.00 55.23 1fr1 n GLN 256 Cb 0.12 -1.45 0.05 0.00 1.02 0.00 0.00 30.24 29.98 1fr1 n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1fr1 s SER 257 N -1.71 5.25 -0.29 1.08 0.01 -0.89 -4.12 113.70 113.02 1fr1 s SER 257 Ca 0.34 1.75 -0.17 0.00 1.31 0.00 0.00 55.95 59.19 1fr1 s SER 257 Cb 0.20 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 1fr1 s SER 257 CO 0.30 -1.53 0.47 -0.13 0.41 0.00 0.00 173.24 172.75 1fr1 s ARG 258 N -4.67 3.91 -0.21 12.44 0.52 0.16 -4.21 118.95 126.88 1fr1 s ARG 258 Ca 0.61 0.08 0.13 0.00 -0.52 0.00 0.00 55.73 56.03 1fr1 s ARG 258 Cb -0.16 -3.70 -0.23 0.00 0.52 0.00 0.00 34.95 31.38 1fr1 s ARG 258 CO 0.49 -0.42 0.00 0.66 0.02 0.00 0.00 175.30 176.05 1fr1 n TYR 259 N 5.54 0.04 -3.85 -0.53 4.02 0.07 -1.48 117.16 120.97 1fr1 n TYR 259 Ca -0.06 0.01 -0.12 0.00 -0.01 0.00 0.00 57.90 57.73 1fr1 n TYR 259 Cb 0.50 -1.01 -0.10 0.00 -0.02 0.00 0.00 39.34 38.71 1fr1 n TYR 259 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1fr1 s TRP 260 N -2.50 -0.01 -0.16 -0.72 0.52 -1.22 -1.22 118.94 113.64 1fr1 s TRP 260 Ca -0.17 -0.04 -0.03 0.00 0.02 0.00 0.00 56.10 55.88 1fr1 s TRP 260 Cb 0.07 -0.02 -0.02 0.00 -1.15 0.00 0.00 33.47 32.35 1fr1 s TRP 260 CO 0.76 -0.29 -0.06 0.50 0.02 0.00 0.00 176.95 177.88 1fr1 s ARG 261 N -1.29 3.56 -0.47 4.98 3.52 0.11 -1.11 118.95 128.25 1fr1 s ARG 261 Ca -0.14 -0.58 0.03 0.00 -0.13 0.00 0.00 55.73 54.92 1fr1 s ARG 261 Cb -0.07 -2.85 0.16 0.00 -1.56 0.00 0.00 34.95 30.62 1fr1 s ARG 261 CO 0.02 0.18 0.33 0.42 -0.81 0.00 0.00 175.30 175.44 1fr1 s ILE 262 N 0.50 1.11 0.00 4.11 1.09 0.18 -1.36 121.20 126.83 1fr1 s ILE 262 Ca -0.05 -2.84 0.00 0.00 -1.10 0.00 0.00 60.65 56.66 1fr1 s ILE 262 Cb -0.15 -1.76 0.00 0.00 -1.06 0.00 0.00 42.46 39.49 1fr1 s ILE 262 CO 0.03 -1.07 0.00 0.61 -0.10 0.00 0.00 174.94 174.41 1fr1 n GLY 263 N 2.99 2.02 0.70 6.18 0.00 -1.26 -2.37 105.19 113.45 1fr1 n GLY 263 Ca 0.20 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1fr1 n GLY 263 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fr1 n ASP 264 N 9.92 2.37 -4.71 1.61 10.43 -1.26 -4.93 116.55 129.97 1fr1 n ASP 264 Ca 0.00 -1.70 -0.30 0.00 2.57 0.00 0.00 54.79 55.35 1fr1 n ASP 264 Cb 0.00 0.17 -0.08 0.00 1.84 0.00 0.00 41.12 43.05 1fr1 n ASP 264 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1fr1 s MET 265 N -2.19 2.66 -0.03 -1.24 1.75 -1.00 -4.42 119.30 114.83 1fr1 s MET 265 Ca 0.26 -0.78 0.07 0.00 -1.25 0.00 0.00 55.69 53.99 1fr1 s MET 265 Cb 0.19 -2.60 -0.01 0.00 2.84 0.00 0.00 34.83 35.24 1fr1 s MET 265 CO 0.41 0.55 -0.24 0.71 -0.65 0.00 0.00 175.02 175.80 1fr1 s TYR 266 N -1.32 2.23 -0.21 4.11 1.51 0.08 0.50 117.35 124.26 1fr1 s TYR 266 Ca 0.26 -0.52 -0.15 0.00 -1.01 0.00 0.00 57.07 55.65 1fr1 s TYR 266 Cb -0.12 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 1fr1 s TYR 266 CO 0.19 -0.11 0.36 -1.14 -1.11 0.00 0.00 175.55 173.74 1fr1 s GLN 267 N -0.39 4.16 0.00 -0.62 2.00 -0.27 -1.28 119.66 123.27 1fr1 s GLN 267 Ca 0.04 0.13 0.00 0.00 -2.00 0.00 0.00 55.36 53.53 1fr1 s GLN 267 Cb -0.11 -3.54 0.00 0.00 0.80 0.00 0.00 33.01 30.16 1fr1 s GLN 267 CO 0.01 -0.02 0.00 0.41 -0.50 0.00 0.00 175.29 175.19 1fr1 n GLY 268 N 3.97 3.15 3.40 2.59 0.00 -0.79 -0.75 105.19 116.76 1fr1 n GLY 268 Ca -0.09 -2.15 -0.44 0.00 0.00 0.00 0.00 46.02 43.34 1fr1 n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fr1 s LEU 269 N 0.00 5.09 0.00 0.99 1.43 -0.33 -4.54 118.68 121.31 1fr1 s LEU 269 Ca 0.00 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 1fr1 s LEU 269 Cb 0.00 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1fr1 s LEU 269 CO 0.00 -1.21 0.00 0.61 0.23 0.00 0.00 176.35 175.98 1fr1 n GLY 270 N 5.29 2.08 3.58 -3.19 0.00 -1.26 -4.27 105.19 107.43 1fr1 n GLY 270 Ca -0.08 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1fr1 n GLY 270 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fr1 n TRP 271 N 0.00 0.46 -4.46 1.61 7.02 -1.26 -4.74 117.44 116.06 1fr1 n TRP 271 Ca 0.00 0.44 -0.20 0.00 -1.02 0.00 0.00 57.50 56.72 1fr1 n TRP 271 Cb 0.00 -2.09 -0.15 0.00 -2.42 0.00 0.00 31.31 26.65 1fr1 n TRP 271 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1fr1 s GLU 272 N -2.59 0.89 0.03 -0.99 2.02 -1.11 -1.88 118.70 115.07 1fr1 s GLU 272 Ca 0.74 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 55.30 1fr1 s GLU 272 Cb -0.43 -0.86 -0.02 0.00 0.10 0.00 0.00 34.13 32.92 1fr1 s GLU 272 CO 0.49 0.23 -0.04 -1.64 0.02 0.00 0.00 175.26 174.32 1fr1 s MET 273 N -0.37 0.40 0.11 1.61 -1.94 -0.40 -1.29 119.30 117.41 1fr1 s MET 273 Ca 0.04 -0.69 0.07 0.00 -1.71 0.00 0.00 55.69 53.39 1fr1 s MET 273 Cb -0.05 -0.01 -0.04 0.00 2.01 0.00 0.00 34.83 36.75 1fr1 s MET 273 CO -0.00 -0.02 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.31 1fr1 s LEU 274 N -1.59 2.35 0.52 -0.03 1.02 -0.36 -0.74 118.68 119.84 1fr1 s LEU 274 Ca -0.13 -0.73 -0.22 0.00 0.02 0.00 0.00 54.13 53.07 1fr1 s LEU 274 Cb -0.09 -0.65 -0.06 0.00 0.02 0.00 0.00 46.19 45.41 1fr1 s LEU 274 CO -0.01 -0.07 1.28 0.20 0.02 0.00 0.00 176.35 177.77 1fr1 s ASN 275 N -2.16 5.58 -0.02 2.29 0.02 -1.26 -0.06 114.94 119.33 1fr1 s ASN 275 Ca 0.06 2.58 0.03 0.00 -1.02 0.00 0.00 52.86 54.51 1fr1 s ASN 275 Cb -0.08 -2.62 -0.03 0.00 0.02 0.00 0.00 41.25 38.54 1fr1 s ASN 275 CO 0.04 -1.34 -0.08 0.86 0.02 0.00 0.00 177.10 176.60 1fr1 s TRP 276 N -1.40 2.88 0.58 2.20 -0.00 0.21 -3.82 118.94 119.58 1fr1 s TRP 276 Ca 0.69 -0.04 -0.15 0.00 -0.00 0.00 0.00 56.10 56.60 1fr1 s TRP 276 Cb -0.36 -1.63 -0.05 0.00 -0.00 0.00 0.00 33.47 31.44 1fr1 s TRP 276 CO 0.42 0.35 1.03 -1.25 -0.00 0.00 0.00 176.95 177.50 1fr1 s PRO 277 N -1.23 3.56 0.29 5.86 0.04 -1.26 -4.69 135.00 137.57 1fr1 s PRO 277 Ca 0.15 1.02 0.11 0.00 0.04 0.00 0.00 61.00 62.33 1fr1 s PRO 277 Cb -0.11 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1fr1 s PRO 277 CO 0.05 -0.60 -0.15 0.54 0.04 0.00 0.00 177.00 176.88 1fr1 s VAL 278 N -2.68 2.57 -0.09 -0.36 0.11 -1.25 -5.10 120.40 113.59 1fr1 s VAL 278 Ca 0.60 -2.31 -0.15 0.00 -2.93 0.00 0.00 61.98 57.19 1fr1 s VAL 278 Cb -0.13 -2.43 -0.05 0.00 -1.53 0.00 0.00 36.38 32.24 1fr1 s VAL 278 CO 0.39 -0.36 0.38 -0.75 -3.33 0.00 0.00 175.10 171.43 1fr1 s LYS 279 N -3.55 4.13 0.30 1.54 2.47 -1.26 -4.95 119.74 118.41 1fr1 s LYS 279 Ca 0.31 0.30 0.05 0.00 -1.56 0.00 0.00 55.97 55.07 1fr1 s LYS 279 Cb -0.04 -3.35 0.75 0.00 -1.46 0.00 0.00 37.83 33.73 1fr1 s LYS 279 CO 0.16 0.40 1.74 0.00 0.16 0.00 0.00 175.35 177.81 1fr1 h ALA 280 N 5.92 1.59 -0.49 3.13 0.00 -2.01 -1.12 119.26 126.28 1fr1 h ALA 280 Ca -0.45 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1fr1 h ALA 280 Cb 1.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1fr1 h ALA 280 CO 0.70 -0.19 0.30 0.22 0.00 0.00 0.00 179.25 180.28 1fr1 h ASP 281 N 0.60 0.57 0.34 0.00 1.82 -1.99 -1.74 116.42 116.02 1fr1 h ASP 281 Ca 0.58 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 57.18 1fr1 h ASP 281 Cb 1.00 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.86 1fr1 h ASP 281 CO -0.44 0.43 -0.17 0.28 -1.61 0.00 0.00 179.24 177.73 1fr1 h SER 282 N 0.66 -0.41 -0.24 2.28 0.02 -1.60 -0.65 113.55 113.61 1fr1 h SER 282 Ca 0.18 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.97 1fr1 h SER 282 Cb -0.04 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1fr1 h SER 282 CO -0.03 -0.29 -0.52 0.16 -1.14 0.00 0.00 176.83 175.01 1fr1 h ILE 283 N -0.47 1.29 0.46 3.27 3.07 -1.54 -1.42 117.51 122.17 1fr1 h ILE 283 Ca -0.04 -1.72 -0.02 0.00 1.55 0.00 0.00 64.86 64.63 1fr1 h ILE 283 Cb 0.36 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 1fr1 h ILE 283 CO 0.07 0.55 -0.22 0.40 -1.05 0.00 0.00 178.15 177.90 1fr1 h ILE 284 N 0.53 0.54 0.05 0.16 2.04 -1.31 -2.72 117.51 116.80 1fr1 h ILE 284 Ca 0.00 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.73 1fr1 h ILE 284 Cb 1.13 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 1fr1 h ILE 284 CO 0.11 0.03 -0.32 0.28 0.00 0.00 0.00 178.15 178.25 1fr1 h SER 285 N -0.71 -0.95 -0.06 1.72 0.02 -1.20 -2.72 113.55 109.64 1fr1 h SER 285 Ca -0.06 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1fr1 h SER 285 Cb 0.52 0.37 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 1fr1 h SER 285 CO 0.10 -0.40 0.10 1.23 -1.14 0.00 0.00 176.83 176.72 1fr1 h GLY 286 N -0.51 0.00 2.00 -3.77 0.00 -1.29 -1.86 103.07 97.65 1fr1 h GLY 286 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 1fr1 h GLY 286 CO -0.23 0.00 -0.61 1.76 0.00 0.00 0.00 176.54 177.46 1fr1 h SER 287 N 0.00 0.00 -4.03 0.19 0.02 -1.15 -3.26 113.55 105.32 1fr1 h SER 287 Ca 0.03 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.44 1fr1 h SER 287 Cb 0.22 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.88 1fr1 h SER 287 CO -0.00 0.61 0.60 -0.62 -1.14 0.00 0.00 176.83 176.28 1fr1 s ASP 288 N -6.52 5.55 0.31 3.07 2.15 -0.70 -4.55 116.67 115.98 1fr1 s ASP 288 Ca 0.03 2.71 0.04 0.00 0.43 0.00 0.00 52.55 55.76 1fr1 s ASP 288 Cb 0.09 -2.63 0.65 0.00 -0.30 0.00 0.00 42.92 40.73 1fr1 s ASP 288 CO 0.76 -1.38 1.86 -1.28 -0.17 0.00 0.00 175.17 174.96 1fr1 h SER 289 N 1.74 0.82 -1.05 -0.34 0.87 -1.89 0.18 113.55 113.88 1fr1 h SER 289 Ca -0.51 0.04 0.27 0.00 -1.23 0.00 0.00 61.79 60.36 1fr1 h SER 289 Cb 1.28 -0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 63.02 1fr1 h SER 289 CO 0.59 0.44 0.67 0.50 -0.53 0.00 0.00 176.83 178.50 1fr1 h LYS 290 N 0.88 0.38 0.00 2.24 3.64 -1.91 -2.05 116.57 119.75 1fr1 h LYS 290 Ca 0.46 -0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.46 1fr1 h LYS 290 Cb 0.53 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 1fr1 h LYS 290 CO -0.22 0.25 -2.18 0.28 -2.27 0.00 0.00 179.45 175.31 1fr1 n VAL 291 N -4.64 1.16 -0.35 2.00 0.31 -0.34 -4.42 118.33 112.04 1fr1 n VAL 291 Ca 0.26 -0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.33 1fr1 n VAL 291 Cb 0.89 -1.76 0.22 0.00 -0.91 0.00 0.00 33.84 32.28 1fr1 n VAL 291 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fr1 h ALA 292 N -0.72 1.48 -0.56 3.52 0.00 -0.69 -2.67 119.26 119.62 1fr1 h ALA 292 Ca -0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1fr1 h ALA 292 Cb 1.48 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1fr1 h ALA 292 CO -0.31 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1fr1 n LEU 293 N -4.54 3.49 -4.91 0.00 4.32 -0.77 -4.63 117.00 109.94 1fr1 n LEU 293 Ca 0.17 -1.66 -0.28 0.00 -0.02 0.00 0.00 56.01 54.22 1fr1 n LEU 293 Cb 0.26 -0.37 -0.03 0.00 -1.62 0.00 0.00 43.42 41.66 1fr1 n LEU 293 CO 0.30 0.83 0.19 0.00 -1.22 0.00 0.00 177.39 177.49 1fr1 s ALA 294 N -1.26 3.65 -0.29 -1.18 0.00 -1.01 -4.85 121.76 116.82 1fr1 s ALA 294 Ca 0.43 -0.65 -0.22 0.00 0.00 0.00 0.00 51.96 51.51 1fr1 s ALA 294 Cb 0.23 -2.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 1fr1 s ALA 294 CO 0.31 0.19 0.73 0.00 0.00 0.00 0.00 175.76 177.00 1fr1 s ALA 295 N -2.13 3.55 0.05 0.00 0.00 -1.26 -4.62 121.76 117.36 1fr1 s ALA 295 Ca 0.43 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1fr1 s ALA 295 Cb -0.10 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1fr1 s ALA 295 CO 0.32 -1.09 -0.16 -0.51 0.00 0.00 0.00 175.76 174.31 1fr1 s LEU 296 N 2.80 2.19 0.35 0.00 1.43 -0.89 -4.96 118.68 119.61 1fr1 s LEU 296 Ca 0.30 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 1fr1 s LEU 296 Cb -0.15 -0.72 -0.11 0.00 0.03 0.00 0.00 46.19 45.25 1fr1 s LEU 296 CO 0.11 0.06 1.47 -2.84 0.23 0.00 0.00 176.35 175.38 1fr1 s PRO 297 N -1.29 4.16 -0.07 1.29 0.02 -1.26 -0.84 135.00 137.01 1fr1 s PRO 297 Ca 0.03 2.50 0.04 0.00 0.02 0.00 0.00 61.00 63.59 1fr1 s PRO 297 Cb -0.09 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.42 1fr1 s PRO 297 CO 0.02 -0.49 -0.19 0.00 -0.33 0.00 0.00 177.00 176.01 1fr1 s ALA 298 N -0.86 2.44 -0.31 -1.55 0.00 -0.86 -4.69 121.76 115.92 1fr1 s ALA 298 Ca 0.54 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 1fr1 s ALA 298 Cb -0.45 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1fr1 s ALA 298 CO 0.58 0.43 0.16 0.08 0.00 0.00 0.00 175.76 177.00 1fr1 s VAL 299 N -0.24 4.65 0.38 0.00 1.01 -0.46 -4.75 120.40 120.98 1fr1 s VAL 299 Ca 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 1fr1 s VAL 299 Cb -0.13 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 1fr1 s VAL 299 CO 0.03 0.06 1.36 -0.70 0.00 0.00 0.00 175.10 175.84 1fr1 s GLU 300 N 1.62 4.08 -0.47 2.72 2.12 -1.26 -0.71 118.70 126.80 1fr1 s GLU 300 Ca 0.05 2.29 -0.01 0.00 0.36 0.00 0.00 54.97 57.66 1fr1 s GLU 300 Cb -0.17 -2.89 0.12 0.00 0.26 0.00 0.00 34.13 31.46 1fr1 s GLU 300 CO 0.07 -0.44 0.24 0.08 -0.54 0.00 0.00 175.26 174.67 1fr1 s VAL 301 N -1.19 3.12 -0.12 3.70 1.01 -0.35 -4.85 120.40 121.72 1fr1 s VAL 301 Ca 0.54 -2.51 0.01 0.00 0.00 0.00 0.00 61.98 60.02 1fr1 s VAL 301 Cb -0.41 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1fr1 s VAL 301 CO 0.54 -0.74 -0.15 0.21 0.00 0.00 0.00 175.10 174.96 1fr1 s ASN 302 N 1.09 2.53 0.82 3.32 3.04 -1.26 -2.28 114.94 122.20 1fr1 s ASN 302 Ca 0.12 -0.45 -0.11 0.00 0.04 0.00 0.00 52.86 52.46 1fr1 s ASN 302 Cb -0.22 -1.13 0.08 0.00 -1.54 0.00 0.00 41.25 38.45 1fr1 s ASN 302 CO -0.04 -0.01 1.09 -2.16 -3.04 0.00 0.00 177.10 172.94 1fr1 s PRO 303 N 1.14 1.92 0.30 0.43 0.04 -1.26 -5.06 135.00 132.52 1fr1 s PRO 303 Ca -0.03 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 1fr1 s PRO 303 Cb -0.14 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1fr1 s PRO 303 CO -0.04 -1.80 1.59 -0.35 0.04 0.00 0.00 177.00 176.43 1fr1 n PRO 304 N -3.59 2.71 -2.27 0.56 -0.04 -0.96 -4.95 135.00 126.45 1fr1 n PRO 304 Ca 0.08 0.96 -0.42 0.00 -0.04 0.00 0.00 63.50 64.08 1fr1 n PRO 304 Cb 0.55 -2.74 -0.03 0.00 -0.04 0.00 0.00 33.50 31.23 1fr1 n PRO 304 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fr1 s ALA 305 N -0.14 3.50 0.77 0.55 0.00 -0.55 -4.75 121.76 121.14 1fr1 s ALA 305 Ca 0.63 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.50 1fr1 s ALA 305 Cb -0.49 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.21 1fr1 s ALA 305 CO 0.50 -0.51 1.12 -1.25 0.00 0.00 0.00 175.76 175.62 1fr1 s PRO 306 N 0.49 2.12 0.40 0.00 0.05 -1.26 0.40 135.00 137.20 1fr1 s PRO 306 Ca 0.59 1.34 -0.27 0.00 0.05 0.00 0.00 61.00 62.71 1fr1 s PRO 306 Cb -0.34 -1.87 -0.10 0.00 0.05 0.00 0.00 34.50 32.23 1fr1 s PRO 306 CO 0.34 -1.77 1.46 0.00 0.05 0.00 0.00 177.00 177.07 1fr1 n ALA 307 N -3.36 2.19 -2.56 8.56 0.00 -1.26 -4.68 120.51 119.40 1fr1 n ALA 307 Ca 0.10 0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 1fr1 n ALA 307 Cb 0.52 -2.40 -0.10 0.00 0.00 0.00 0.00 19.45 17.47 1fr1 n ALA 307 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1fr1 s VAL 308 N -1.15 3.34 0.20 0.00 -7.23 -1.26 -5.05 120.40 109.26 1fr1 s VAL 308 Ca 0.56 -1.13 -0.06 0.00 -1.81 0.00 0.00 61.98 59.54 1fr1 s VAL 308 Cb -0.47 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.00 1fr1 s VAL 308 CO 0.61 0.22 1.63 0.11 -0.31 0.00 0.00 175.10 177.36 1fr1 h LYS 309 N 3.99 0.86 -3.75 4.82 1.79 -1.96 -3.32 116.57 119.00 1fr1 h LYS 309 Ca -0.49 -0.33 -0.73 0.00 -2.18 0.00 0.00 60.65 56.92 1fr1 h LYS 309 Cb 1.16 -0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.67 1fr1 h LYS 309 CO 0.52 0.97 2.63 0.00 -1.08 0.00 0.00 179.45 182.48 1fr1 n ALA 310 N -2.50 5.49 -2.74 3.86 0.00 -1.26 -1.51 120.51 121.85 1fr1 n ALA 310 Ca 0.01 -4.08 -0.17 0.00 0.00 0.00 0.00 53.44 49.20 1fr1 n ALA 310 Cb 0.42 -3.27 -0.12 0.00 0.00 0.00 0.00 19.45 16.47 1fr1 n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1fr1 s SER 311 N 2.08 1.33 -0.35 0.00 0.01 -1.25 -0.62 113.70 114.90 1fr1 s SER 311 Ca 0.44 -0.52 -0.09 0.00 1.31 0.00 0.00 55.95 57.09 1fr1 s SER 311 Cb 0.12 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.34 1fr1 s SER 311 CO -0.05 -0.08 0.15 0.86 0.41 0.00 0.00 173.24 174.54 1fr1 s TRP 312 N -1.12 3.24 -0.19 2.43 -0.11 0.91 -4.14 118.94 119.95 1fr1 s TRP 312 Ca -0.03 -1.14 -0.05 0.00 1.22 0.00 0.00 56.10 56.09 1fr1 s TRP 312 Cb -0.09 -2.35 -0.03 0.00 -1.50 0.00 0.00 33.47 29.50 1fr1 s TRP 312 CO 0.01 -0.67 0.01 0.08 -4.62 0.00 0.00 176.95 171.76 1fr1 s VAL 313 N 1.49 4.14 0.34 5.86 1.01 -0.43 -1.23 120.40 131.58 1fr1 s VAL 313 Ca 0.01 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1fr1 s VAL 313 Cb -0.19 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.36 1fr1 s VAL 313 CO 0.05 0.44 0.70 -1.38 0.00 0.00 0.00 175.10 174.91 1fr1 s HIS 314 N 0.82 0.19 -0.29 5.22 -3.43 -0.41 -1.00 115.29 116.39 1fr1 s HIS 314 Ca 0.01 -0.73 -0.16 0.00 -0.80 0.00 0.00 55.06 53.38 1fr1 s HIS 314 Cb -0.14 0.63 0.14 0.00 -1.43 0.00 0.00 32.58 31.78 1fr1 s HIS 314 CO 0.02 -1.39 0.95 0.21 -2.00 0.00 0.00 174.74 172.53 1fr1 s LYS 315 N -2.93 0.40 0.41 -0.38 2.47 -0.72 -2.75 119.74 116.24 1fr1 s LYS 315 Ca 0.17 0.71 0.02 0.00 -1.56 0.00 0.00 55.97 55.31 1fr1 s LYS 315 Cb -0.04 0.10 -0.01 0.00 -1.46 0.00 0.00 37.83 36.41 1fr1 s LYS 315 CO 0.11 -0.09 0.61 0.95 0.16 0.00 0.00 175.35 177.09 1fr1 s THR 316 N 1.41 4.21 -0.29 3.43 -4.23 -1.26 -2.42 115.64 116.50 1fr1 s THR 316 Ca -0.09 -0.60 -0.23 0.00 -1.18 0.00 0.00 61.69 59.59 1fr1 s THR 316 Cb -0.04 -3.53 0.13 0.00 1.34 0.00 0.00 72.50 70.40 1fr1 s THR 316 CO -0.15 -0.34 1.06 -0.83 -0.54 0.00 0.00 174.62 173.82 1fr1 s GLY 317 N -4.18 -0.07 0.04 3.99 0.00 -0.98 -4.08 107.32 102.05 1fr1 s GLY 317 Ca 0.46 2.86 0.02 0.00 0.00 0.00 0.00 44.72 48.06 1fr1 s GLY 317 CO 0.36 2.02 -0.07 -0.56 0.00 0.00 0.00 173.10 174.85 1fr1 s SER 318 N 0.46 0.75 0.40 1.64 0.01 -1.26 -0.74 113.70 114.97 1fr1 s SER 318 Ca 0.01 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 56.70 1fr1 s SER 318 Cb -0.05 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 1fr1 s SER 318 CO -0.09 -0.26 0.08 0.42 0.41 0.00 0.00 173.24 173.80 1fr1 s THR 319 N -1.70 0.94 0.36 1.44 -4.23 -0.34 -4.02 115.64 108.09 1fr1 s THR 319 Ca -0.08 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.54 1fr1 s THR 319 Cb -0.08 -2.49 0.34 0.00 1.34 0.00 0.00 72.50 71.61 1fr1 s THR 319 CO -0.01 0.00 1.82 1.23 -0.54 0.00 0.00 174.62 177.12 1fr1 h GLY 320 N 1.82 1.34 -1.18 3.99 0.00 -1.97 -2.80 103.07 104.27 1fr1 h GLY 320 Ca -0.39 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1fr1 h GLY 320 CO 0.65 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.77 1fr1 n GLY 321 N -1.42 2.59 3.11 4.60 0.00 -1.26 -4.53 105.19 108.28 1fr1 n GLY 321 Ca 0.21 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1fr1 n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fr1 s PHE 322 N -0.99 0.16 -0.08 1.61 0.08 -1.06 -2.54 117.98 115.16 1fr1 s PHE 322 Ca 0.21 -0.42 -0.03 0.00 0.12 0.00 0.00 56.93 56.81 1fr1 s PHE 322 Cb 0.11 -0.12 0.04 0.00 -0.57 0.00 0.00 43.02 42.49 1fr1 s PHE 322 CO 0.15 -0.35 0.16 0.20 -0.10 0.00 0.00 175.22 175.28 1fr1 s GLY 323 N -1.95 0.01 0.22 4.36 0.00 -0.89 -1.19 107.32 107.88 1fr1 s GLY 323 Ca -0.07 0.63 0.04 0.00 0.00 0.00 0.00 44.72 45.31 1fr1 s GLY 323 CO -0.03 1.43 -0.02 -1.35 0.00 0.00 0.00 173.10 173.13 1fr1 s SER 324 N 1.86 1.87 -0.21 1.64 1.04 0.09 -1.86 113.70 118.12 1fr1 s SER 324 Ca -0.02 -1.19 -0.19 0.00 0.48 0.00 0.00 55.95 55.03 1fr1 s SER 324 Cb -0.12 -0.00 0.06 0.00 0.10 0.00 0.00 66.02 66.06 1fr1 s SER 324 CO -0.06 -0.48 0.57 -0.47 0.98 0.00 0.00 173.24 173.78 1fr1 s TYR 325 N -3.39 -0.64 -0.02 5.02 6.14 0.16 -2.33 117.35 122.29 1fr1 s TYR 325 Ca 0.27 1.54 0.00 0.00 0.64 0.00 0.00 57.07 59.52 1fr1 s TYR 325 Cb 0.05 0.23 0.02 0.00 0.42 0.00 0.00 41.96 42.68 1fr1 s TYR 325 CO 0.08 -0.31 0.00 0.08 0.64 0.00 0.00 175.55 176.04 1fr1 s VAL 326 N 0.37 0.11 -0.03 3.14 1.01 -1.01 -0.17 120.40 123.82 1fr1 s VAL 326 Ca -0.01 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1fr1 s VAL 326 Cb -0.04 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.17 1fr1 s VAL 326 CO -0.00 0.10 0.24 0.00 0.00 0.00 0.00 175.10 175.44 1fr1 s ALA 327 N 0.73 -0.61 -0.10 5.51 0.00 -0.82 -1.75 121.76 124.73 1fr1 s ALA 327 Ca -0.07 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 51.90 1fr1 s ALA 327 Cb -0.10 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1fr1 s ALA 327 CO -0.02 -0.22 0.60 -0.59 0.00 0.00 0.00 175.76 175.54 1fr1 s PHE 328 N -1.04 -0.59 -0.30 0.00 -0.71 -0.17 -0.48 117.98 114.71 1fr1 s PHE 328 Ca -0.11 1.14 0.02 0.00 -1.04 0.00 0.00 56.93 56.94 1fr1 s PHE 328 Cb -0.05 0.31 0.08 0.00 -1.21 0.00 0.00 43.02 42.15 1fr1 s PHE 328 CO 0.03 -0.50 0.00 0.08 -1.34 0.00 0.00 175.22 173.49 1fr1 s VAL 329 N -0.79 1.90 0.26 -2.49 1.01 0.14 -1.31 120.40 119.12 1fr1 s VAL 329 Ca -0.08 -1.83 -0.01 0.00 0.00 0.00 0.00 61.98 60.06 1fr1 s VAL 329 Cb -0.02 -2.27 0.25 0.00 0.00 0.00 0.00 36.38 34.34 1fr1 s VAL 329 CO 0.06 -0.38 1.71 -0.65 0.00 0.00 0.00 175.10 175.84 1fr1 h PRO 330 N 7.78 0.39 -1.06 2.72 0.11 -1.72 -1.86 132.00 138.36 1fr1 h PRO 330 Ca -0.11 -0.02 0.28 0.00 0.11 0.00 0.00 66.00 66.26 1fr1 h PRO 330 Cb 1.03 -0.09 -0.11 0.00 0.11 0.00 0.00 31.00 31.95 1fr1 h PRO 330 CO 0.48 0.26 0.66 1.49 -0.21 0.00 0.00 178.00 180.67 1fr1 h GLU 331 N 0.40 0.39 -0.03 1.05 4.57 -1.58 -2.14 114.58 117.24 1fr1 h GLU 331 Ca 0.47 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 1fr1 h GLU 331 Cb 0.80 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1fr1 h GLU 331 CO -0.47 0.26 0.00 1.63 -1.18 0.00 0.00 179.01 179.25 1fr1 n LYS 332 N -4.74 1.19 -3.65 1.92 4.76 -0.74 -5.00 118.16 111.91 1fr1 n LYS 332 Ca 0.28 -1.44 -0.25 0.00 -2.87 0.00 0.00 58.31 54.02 1fr1 n LYS 332 Cb 0.91 -1.30 0.04 0.00 -1.84 0.00 0.00 35.03 32.84 1fr1 n LYS 332 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1fr1 n ASN 333 N 0.88 -3.46 -3.89 4.39 5.15 -0.81 -4.25 115.26 113.27 1fr1 n ASN 333 Ca 0.09 -0.90 -0.16 0.00 -0.60 0.00 0.00 54.58 53.01 1fr1 n ASN 333 Cb 0.39 -3.87 -0.15 0.00 -0.53 0.00 0.00 39.78 35.63 1fr1 n ASN 333 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1fr1 s LEU 334 N -6.44 1.62 0.23 1.20 2.96 -1.21 -1.51 118.68 115.52 1fr1 s LEU 334 Ca 0.25 -0.06 -0.21 0.00 -0.22 0.00 0.00 54.13 53.89 1fr1 s LEU 334 Cb -0.07 -0.24 0.07 0.00 0.50 0.00 0.00 46.19 46.44 1fr1 s LEU 334 CO 0.83 -0.02 0.96 -0.83 -1.32 0.00 0.00 176.35 175.97 1fr1 s GLY 335 N 0.43 0.11 -0.15 7.98 0.00 -0.47 0.27 107.32 115.50 1fr1 s GLY 335 Ca -0.04 -0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.12 1fr1 s GLY 335 CO -0.01 1.36 0.52 -1.50 0.00 0.00 0.00 173.10 173.48 1fr1 s ILE 336 N -2.42 0.01 -0.12 0.90 2.07 0.37 -0.41 121.20 121.60 1fr1 s ILE 336 Ca 0.19 -0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.38 1fr1 s ILE 336 Cb -0.03 -0.76 0.01 0.00 0.13 0.00 0.00 42.46 41.80 1fr1 s ILE 336 CO 0.06 -0.04 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.14 1fr1 s VAL 337 N -0.20 2.01 -0.24 4.00 1.01 -0.18 -1.94 120.40 124.86 1fr1 s VAL 337 Ca -0.04 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1fr1 s VAL 337 Cb -0.03 -1.76 0.07 0.00 0.00 0.00 0.00 36.38 34.66 1fr1 s VAL 337 CO 0.03 0.54 0.03 -0.04 0.00 0.00 0.00 175.10 175.66 1fr1 s MET 338 N 0.60 0.93 -0.12 2.72 -1.94 0.76 -1.74 119.30 120.52 1fr1 s MET 338 Ca -0.13 -0.80 -0.01 0.00 -1.71 0.00 0.00 55.69 53.05 1fr1 s MET 338 Cb -0.17 -2.22 -0.02 0.00 2.01 0.00 0.00 34.83 34.43 1fr1 s MET 338 CO 0.03 -0.74 -0.09 -0.51 -0.01 0.00 0.00 175.02 173.70 1fr1 s LEU 339 N 1.65 2.98 0.01 -0.03 1.43 -0.61 -0.67 118.68 123.44 1fr1 s LEU 339 Ca 0.01 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1fr1 s LEU 339 Cb -0.18 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1fr1 s LEU 339 CO -0.13 0.21 0.03 0.00 0.23 0.00 0.00 176.35 176.70 1fr1 s ALA 340 N 0.07 -0.04 -0.44 4.21 0.00 -0.78 -1.54 121.76 123.25 1fr1 s ALA 340 Ca -0.03 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1fr1 s ALA 340 Cb -0.14 0.08 0.44 0.00 0.00 0.00 0.00 23.12 23.51 1fr1 s ALA 340 CO 0.04 -0.14 1.87 0.27 0.00 0.00 0.00 175.76 177.80 1fr1 n ASN 341 N 1.93 5.34 -3.79 0.00 6.94 -0.91 -2.09 115.26 122.68 1fr1 n ASN 341 Ca -0.21 -3.38 -0.13 0.00 -0.02 0.00 0.00 54.58 50.85 1fr1 n ASN 341 Cb 0.56 -0.89 -0.13 0.00 -2.36 0.00 0.00 39.78 36.96 1fr1 n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1fr1 s LYS 342 N -2.80 0.14 -0.48 -3.83 2.20 -1.15 -1.33 119.74 112.49 1fr1 s LYS 342 Ca 0.48 0.28 -0.23 0.00 -0.36 0.00 0.00 55.97 56.13 1fr1 s LYS 342 Cb 0.39 -0.02 0.03 0.00 -1.51 0.00 0.00 37.83 36.72 1fr1 s LYS 342 CO 0.04 -0.08 0.83 0.45 -0.36 0.00 0.00 175.35 176.23 1fr1 s SER 343 N 0.53 6.38 0.25 1.43 0.15 -1.26 -3.21 113.70 117.98 1fr1 s SER 343 Ca -0.04 -0.22 0.11 0.00 0.70 0.00 0.00 55.95 56.50 1fr1 s SER 343 Cb -0.05 -2.40 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 1fr1 s SER 343 CO -0.02 -1.02 -0.14 -0.72 1.20 0.00 0.00 173.24 172.54 1fr1 s TYR 344 N 3.47 2.44 -0.02 3.44 -0.85 -1.26 -4.97 117.35 119.60 1fr1 s TYR 344 Ca 0.29 -0.29 -0.39 0.00 -0.52 0.00 0.00 57.07 56.17 1fr1 s TYR 344 Cb -0.13 -1.10 -0.18 0.00 0.38 0.00 0.00 41.96 40.94 1fr1 s TYR 344 CO 0.21 0.64 1.34 -2.30 -1.52 0.00 0.00 175.55 173.92 1fr1 n PRO 345 N -0.50 0.79 -0.31 -3.49 -0.02 -1.26 -4.83 135.00 125.39 1fr1 n PRO 345 Ca -0.07 0.29 -0.01 0.00 -2.02 0.00 0.00 63.50 61.69 1fr1 n PRO 345 Cb 0.59 -1.89 0.06 0.00 -0.02 0.00 0.00 33.50 32.23 1fr1 n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1fr1 h ASN 346 N 4.55 -1.14 -0.35 2.55 -0.26 -1.98 0.49 115.58 119.44 1fr1 h ASN 346 Ca -0.48 0.27 0.06 0.00 -0.56 0.00 0.00 56.30 55.59 1fr1 h ASN 346 Cb 1.36 0.63 -0.02 0.00 -1.06 0.00 0.00 38.32 39.23 1fr1 h ASN 346 CO 0.78 -0.29 0.24 -0.65 -1.06 0.00 0.00 177.43 176.45 1fr1 h PRO 347 N -0.05 0.20 -0.18 0.81 0.11 -1.81 -0.81 132.00 130.27 1fr1 h PRO 347 Ca 0.34 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 66.22 1fr1 h PRO 347 Cb 0.60 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.67 1fr1 h PRO 347 CO -0.87 0.14 -0.74 0.28 -0.21 0.00 0.00 178.00 176.60 1fr1 h VAL 348 N 0.21 1.28 0.35 3.15 2.07 -1.29 -2.00 116.25 120.01 1fr1 h VAL 348 Ca 0.16 -1.93 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1fr1 h VAL 348 Cb 0.36 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1fr1 h VAL 348 CO -0.03 0.62 -0.29 0.03 0.02 0.00 0.00 177.57 177.92 1fr1 h ARG 349 N 0.57 -0.62 -0.51 1.57 -0.00 -0.40 -1.94 114.38 113.04 1fr1 h ARG 349 Ca -0.04 0.04 0.02 0.00 -0.50 0.00 0.00 59.98 59.50 1fr1 h ARG 349 Cb 1.36 0.14 -0.03 0.00 0.00 0.00 0.00 29.97 31.44 1fr1 h ARG 349 CO 0.15 -0.41 0.31 0.28 0.00 0.00 0.00 179.97 180.30 1fr1 h VAL 350 N -0.64 1.07 -0.39 2.04 2.07 -1.25 -1.52 116.25 117.62 1fr1 h VAL 350 Ca -0.03 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 1fr1 h VAL 350 Cb 0.57 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1fr1 h VAL 350 CO -0.02 0.11 -0.22 -0.08 0.02 0.00 0.00 177.57 177.38 1fr1 h GLU 351 N 0.62 0.78 -0.52 1.57 4.81 -1.34 0.34 114.58 120.84 1fr1 h GLU 351 Ca 0.20 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1fr1 h GLU 351 Cb -0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1fr1 h GLU 351 CO -0.08 0.93 0.18 0.00 -0.73 0.00 0.00 179.01 179.31 1fr1 h ALA 352 N 1.07 0.68 0.21 2.92 0.00 -1.03 0.20 119.26 123.31 1fr1 h ALA 352 Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1fr1 h ALA 352 Cb 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1fr1 h ALA 352 CO 0.06 0.33 -0.10 0.00 0.00 0.00 0.00 179.25 179.53 1fr1 h ALA 353 N 1.04 -0.28 -0.14 0.00 0.00 -0.85 -2.45 119.26 116.58 1fr1 h ALA 353 Ca 0.17 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1fr1 h ALA 353 Cb 0.25 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1fr1 h ALA 353 CO -0.01 -0.66 -0.14 2.35 0.00 0.00 0.00 179.25 180.80 1fr1 h TRP 354 N -0.29 -0.35 -0.47 0.00 2.91 0.03 -1.43 115.95 116.36 1fr1 h TRP 354 Ca -0.03 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.11 1fr1 h TRP 354 Cb 0.22 0.18 -0.09 0.00 -0.51 0.00 0.00 29.16 28.95 1fr1 h TRP 354 CO -0.06 -0.20 -0.15 0.00 -1.03 0.00 0.00 178.44 177.00 1fr1 h ARG 355 N -0.17 -0.04 0.03 2.65 3.08 -0.46 0.19 114.38 119.67 1fr1 h ARG 355 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1fr1 h ARG 355 Cb 0.30 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1fr1 h ARG 355 CO -0.24 -0.03 -0.02 0.82 -1.07 0.00 0.00 179.97 179.44 1fr1 h ILE 356 N -0.04 0.00 -0.61 2.04 2.04 -1.05 -3.24 117.51 116.65 1fr1 h ILE 356 Ca 0.23 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.26 1fr1 h ILE 356 Cb 0.38 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1fr1 h ILE 356 CO -0.50 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.02 1fr1 h LEU 357 N -0.04 0.00 -1.66 1.44 4.07 -1.11 -2.77 115.31 115.24 1fr1 h LEU 357 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1fr1 h LEU 357 Cb 0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1fr1 h LEU 357 CO 0.00 0.00 0.15 -0.08 -1.08 0.00 0.00 178.44 177.44 1fr1 h GLU 358 N 0.00 0.37 0.00 1.13 4.57 -0.64 0.07 114.58 120.09 1fr1 h GLU 358 Ca 0.29 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 1fr1 h GLU 358 Cb 1.17 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1fr1 h GLU 358 CO -0.00 0.28 -0.42 0.87 -1.18 0.00 0.00 179.01 178.56 1fr1 h LYS 359 N 0.38 0.00 0.00 1.92 1.79 -1.61 -3.28 116.57 115.77 1fr1 h LYS 359 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1fr1 h LYS 359 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1fr1 h LYS 359 CO -0.02 0.42 -1.67 1.28 -1.08 0.00 0.00 179.45 178.38 1fr1 n LEU 360 N -3.89 0.15 0.00 2.94 4.77 -0.75 -5.07 117.00 115.15 1fr1 n LEU 360 Ca -0.01 -0.09 0.07 0.00 -0.03 0.00 0.00 56.01 55.94 1fr1 n LEU 360 Cb 0.46 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.94 1fr1 n LEU 360 CO 0.39 0.04 0.60 0.00 -1.33 0.00 0.00 177.39 177.09