#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tof n GLY 2 N 0.00 0.72 2.66 -0.02 0.00 0.55 -4.53 105.19 104.57 1tof n GLY 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1tof n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tof n SER 3 N 0.00 5.21 -4.57 1.61 7.64 -1.26 -4.70 113.62 117.55 1tof n SER 3 Ca 0.00 -2.54 -0.41 0.00 1.01 0.00 0.00 58.87 56.93 1tof n SER 3 Cb 0.00 -1.30 -0.02 0.00 -1.01 0.00 0.00 64.21 61.88 1tof n SER 3 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1tof s VAL 4 N 3.40 3.97 0.18 0.44 1.01 -1.26 -3.91 120.40 124.23 1tof s VAL 4 Ca 0.52 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1tof s VAL 4 Cb 0.14 -5.06 -0.02 0.00 0.00 0.00 0.00 36.38 31.43 1tof s VAL 4 CO -0.02 -1.92 0.23 0.27 0.00 0.00 0.00 175.10 173.67 1tof s ILE 5 N 5.03 0.04 -0.10 2.22 -4.36 -1.19 -5.04 121.20 117.81 1tof s ILE 5 Ca 0.50 -1.65 -0.00 0.00 -0.26 0.00 0.00 60.65 59.24 1tof s ILE 5 Cb 0.01 -2.11 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 1tof s ILE 5 CO -0.02 -0.20 -0.09 0.54 0.24 0.00 0.00 174.94 175.40 1tof s VAL 6 N -4.04 3.44 0.16 8.37 0.11 -1.26 -1.07 120.40 126.11 1tof s VAL 6 Ca 0.25 -0.55 -0.16 0.00 -2.93 0.00 0.00 61.98 58.60 1tof s VAL 6 Cb 0.04 -2.43 0.03 0.00 -1.53 0.00 0.00 36.38 32.49 1tof s VAL 6 CO 0.05 0.55 0.43 -0.51 -3.33 0.00 0.00 175.10 172.30 1tof s ILE 7 N -0.18 0.05 -0.01 7.04 2.07 0.09 -4.95 121.20 125.30 1tof s ILE 7 Ca 0.01 -0.78 0.02 0.00 -1.41 0.00 0.00 60.65 58.50 1tof s ILE 7 Cb -0.13 -1.44 0.03 0.00 0.13 0.00 0.00 42.46 41.05 1tof s ILE 7 CO 0.03 -0.23 0.87 -0.90 -1.91 0.00 0.00 174.94 172.80 1tof n ASP 8 N -0.27 1.34 -3.99 4.50 5.75 -1.26 -1.24 116.55 121.38 1tof n ASP 8 Ca -0.12 -1.84 -0.30 0.00 -0.01 0.00 0.00 54.79 52.52 1tof n ASP 8 Cb 0.63 -0.06 -0.16 0.00 -1.03 0.00 0.00 41.12 40.50 1tof n ASP 8 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1tof s SER 9 N -0.92 3.42 0.32 -1.12 0.01 -1.26 -3.87 113.70 110.27 1tof s SER 9 Ca 0.04 -0.90 0.09 0.00 1.31 0.00 0.00 55.95 56.48 1tof s SER 9 Cb 0.03 -1.24 0.88 0.00 0.21 0.00 0.00 66.02 65.91 1tof s SER 9 CO 0.00 -0.15 1.71 0.07 0.41 0.00 0.00 173.24 175.29 1tof h LYS 10 N 7.97 0.49 -0.85 12.44 2.10 -1.95 0.11 116.57 136.88 1tof h LYS 10 Ca -0.27 -0.03 0.11 0.00 -2.00 0.00 0.00 60.65 58.46 1tof h LYS 10 Cb 1.10 -0.11 -0.08 0.00 -0.90 0.00 0.00 32.23 32.24 1tof h LYS 10 CO 0.47 0.32 0.49 0.00 -2.00 0.00 0.00 179.45 178.73 1tof h ALA 11 N 1.75 1.24 -0.33 0.07 0.00 -1.99 0.56 119.26 120.57 1tof h ALA 11 Ca 0.64 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.42 1tof h ALA 11 Cb 1.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1tof h ALA 11 CO -0.51 0.07 -0.46 0.00 0.00 0.00 0.00 179.25 178.36 1tof h ALA 12 N 1.49 0.57 -0.18 0.00 0.00 -1.22 0.64 119.26 120.55 1tof h ALA 12 Ca 0.43 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1tof h ALA 12 Cb 0.44 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1tof h ALA 12 CO -0.27 0.68 -0.10 2.35 0.00 0.00 0.00 179.25 181.90 1tof h TRP 13 N 0.68 -0.24 -0.02 0.00 2.91 -0.97 -0.21 115.95 118.10 1tof h TRP 13 Ca 0.04 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.08 1tof h TRP 13 Cb 1.05 0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.83 1tof h TRP 13 CO 0.06 -0.16 0.01 0.22 -1.03 0.00 0.00 178.44 177.55 1tof h ASP 14 N -0.09 0.02 0.06 2.65 3.58 -0.74 -0.37 116.42 121.54 1tof h ASP 14 Ca 0.10 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.57 1tof h ASP 14 Cb 0.24 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 1tof h ASP 14 CO -0.24 0.02 -0.40 0.00 -2.88 0.00 0.00 179.24 175.75 1tof h ALA 15 N 1.00 -0.67 -0.66 -0.78 0.00 -0.64 -1.91 119.26 115.61 1tof h ALA 15 Ca 0.01 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1tof h ALA 15 Cb 0.00 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1tof h ALA 15 CO -0.00 -0.95 0.30 1.96 0.00 0.00 0.00 179.25 180.56 1tof h GLN 16 N -0.60 0.50 -0.30 0.00 4.20 -0.88 0.19 115.11 118.23 1tof h GLN 16 Ca 0.04 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1tof h GLN 16 Cb 0.65 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1tof h GLN 16 CO -0.27 0.33 0.53 -0.07 -0.67 0.00 0.00 178.83 178.68 1tof h LEU 17 N 0.52 0.00 0.00 1.46 3.38 -0.27 0.51 115.31 120.91 1tof h LEU 17 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1tof h LEU 17 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1tof h LEU 17 CO -0.28 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.11 1tof n ALA 18 N -2.10 0.49 0.30 1.53 0.00 0.22 -4.62 120.51 116.34 1tof n ALA 18 Ca 0.05 -0.30 0.17 0.00 0.00 0.00 0.00 53.44 53.36 1tof n ALA 18 Cb 0.66 0.01 0.96 0.00 0.00 0.00 0.00 19.45 21.08 1tof n ALA 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1tof h LYS 19 N -0.14 0.00 0.00 0.00 2.10 -0.69 -2.10 116.57 115.73 1tof h LYS 19 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1tof h LYS 19 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1tof h LYS 19 CO 0.00 0.03 0.00 0.41 -2.00 0.00 0.00 179.45 177.89 1tof n GLY 20 N -0.99 -1.09 3.08 0.07 0.00 0.16 -4.89 105.19 101.54 1tof n GLY 20 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1tof n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tof n LYS 21 N -1.90 -1.40 0.00 1.61 5.02 -0.79 0.13 118.16 120.83 1tof n LYS 21 Ca 0.02 1.44 0.12 0.00 -2.02 0.00 0.00 58.31 57.87 1tof n LYS 21 Cb 0.18 -5.76 0.73 0.00 -0.02 0.00 0.00 35.03 30.16 1tof n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1tof n GLU 22 N -1.91 0.98 0.00 1.97 -0.58 -1.26 -4.39 120.64 115.45 1tof n GLU 22 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1tof n GLU 22 Cb 0.51 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 1tof n GLU 22 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1tof n GLU 23 N -0.89 0.00 -2.94 3.49 4.07 -1.26 -0.32 120.64 122.79 1tof n GLU 23 Ca 0.18 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.15 1tof n GLU 23 Cb 0.08 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.49 1tof n GLU 23 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1tof n HIS 24 N -1.45 -0.58 -5.17 4.31 -0.00 -1.26 -4.67 115.22 106.39 1tof n HIS 24 Ca 0.00 -3.07 -0.32 0.00 -0.00 0.00 0.00 57.72 54.33 1tof n HIS 24 Cb 0.00 0.24 -0.16 0.00 -0.00 0.00 0.00 29.99 30.08 1tof n HIS 24 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1tof s LYS 25 N -1.70 2.52 -0.28 1.57 -0.14 0.57 -4.92 119.74 117.36 1tof s LYS 25 Ca 0.32 -0.86 -0.29 0.00 -1.36 0.00 0.00 55.97 53.78 1tof s LYS 25 Cb 0.36 -2.21 -0.01 0.00 -1.68 0.00 0.00 37.83 34.29 1tof s LYS 25 CO -0.05 0.45 1.38 -1.25 -0.76 0.00 0.00 175.35 175.12 1tof s PRO 26 N -0.31 3.88 -0.72 -1.68 0.04 -1.26 -1.95 135.00 132.99 1tof s PRO 26 Ca 0.01 1.34 -0.23 0.00 0.04 0.00 0.00 61.00 62.17 1tof s PRO 26 Cb -0.13 -3.92 0.07 0.00 0.04 0.00 0.00 34.50 30.56 1tof s PRO 26 CO 0.02 -1.18 1.06 0.42 0.04 0.00 0.00 177.00 177.37 1tof s ILE 27 N 4.61 4.24 -0.32 0.56 1.01 0.43 -1.17 121.20 130.57 1tof s ILE 27 Ca 0.60 -0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.65 1tof s ILE 27 Cb -0.19 -4.76 -0.00 0.00 0.01 0.00 0.00 42.46 37.52 1tof s ILE 27 CO 0.25 -1.56 0.72 -0.69 0.00 0.00 0.00 174.94 173.65 1tof s VAL 28 N 4.26 4.85 -0.30 2.92 1.01 0.68 -0.88 120.40 132.93 1tof s VAL 28 Ca 0.27 0.98 -0.08 0.00 0.00 0.00 0.00 61.98 63.15 1tof s VAL 28 Cb -0.13 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1tof s VAL 28 CO 0.08 -0.24 0.10 -0.69 0.00 0.00 0.00 175.10 174.36 1tof s VAL 29 N 2.82 4.16 -1.02 2.92 1.01 0.50 -0.27 120.40 130.53 1tof s VAL 29 Ca 0.29 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 1tof s VAL 29 Cb -0.14 -3.15 0.18 0.00 0.00 0.00 0.00 36.38 33.27 1tof s VAL 29 CO 0.13 0.07 1.16 -0.62 0.00 0.00 0.00 175.10 175.84 1tof s ASP 30 N 1.53 6.88 -0.58 3.32 2.15 0.24 -0.95 116.67 129.27 1tof s ASP 30 Ca 0.03 -2.65 -0.28 0.00 0.43 0.00 0.00 52.55 50.08 1tof s ASP 30 Cb -0.17 -2.34 0.03 0.00 -0.30 0.00 0.00 42.92 40.13 1tof s ASP 30 CO 0.04 -0.78 1.22 -0.36 -0.17 0.00 0.00 175.17 175.11 1tof s PHE 31 N 1.41 2.57 0.00 -5.34 0.08 0.05 -0.70 117.98 116.04 1tof s PHE 31 Ca 0.33 0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.78 1tof s PHE 31 Cb -0.06 -4.51 0.00 0.00 -0.57 0.00 0.00 43.02 37.88 1tof s PHE 31 CO -0.06 -1.64 0.00 -2.37 -0.10 0.00 0.00 175.22 171.05 1tof n THR 32 N 6.68 0.00 -2.53 0.64 5.66 -0.77 -0.77 114.28 123.19 1tof n THR 32 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1tof n THR 32 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1tof n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tof n ALA 33 N -3.00 0.00 -0.73 1.79 0.00 -1.26 -3.59 120.51 113.72 1tof n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1tof n ALA 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1tof n ALA 33 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1tof n THR 34 N 0.00 0.00 0.18 0.00 -2.24 -1.26 -0.80 114.28 110.16 1tof n THR 34 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1tof n THR 34 Cb 0.00 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.52 1tof n THR 34 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 1tof h TRP 35 N 0.00 0.00 -0.70 4.78 5.08 -2.02 -3.40 115.95 119.69 1tof h TRP 35 Ca 0.00 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 1tof h TRP 35 Cb 0.00 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.10 1tof h TRP 35 CO 0.00 0.42 1.42 0.00 -1.28 0.00 0.00 178.44 179.01 1tof h GLY 37 N 15.57 -0.56 0.23 0.00 0.00 -1.85 -1.86 103.07 114.61 1tof h GLY 37 Ca 0.27 0.53 0.20 0.00 0.00 0.00 0.00 47.33 48.33 1tof h GLY 37 CO 1.32 -0.19 0.61 -2.55 0.00 0.00 0.00 176.54 175.73 1tof h PRO 38 N -0.35 0.55 -0.05 4.80 0.11 -1.99 -0.83 132.00 134.25 1tof h PRO 38 Ca 0.13 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.22 1tof h PRO 38 Cb 0.59 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1tof h PRO 38 CO -0.54 0.37 0.05 0.00 -0.21 0.00 0.00 178.00 177.66 1tof h LYS 40 N 0.00 0.00 0.03 0.00 1.79 -1.17 0.13 116.57 117.35 1tof h LYS 40 Ca 0.02 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.24 1tof h LYS 40 Cb 0.12 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1tof h LYS 40 CO -0.00 0.00 -1.25 0.52 -1.08 0.00 0.00 179.45 177.64 1tof h MET 41 N 0.00 0.06 0.06 3.15 2.86 -1.28 -3.33 114.93 116.45 1tof h MET 41 Ca 0.00 -0.11 -0.24 0.00 -2.06 0.00 0.00 59.70 57.30 1tof h MET 41 Cb 0.13 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1tof h MET 41 CO -0.00 0.93 -1.08 0.82 1.06 0.00 0.00 176.91 178.64 1tof h ILE 42 N 0.02 1.53 -0.43 -1.22 2.04 -0.96 -3.35 117.51 115.14 1tof h ILE 42 Ca -0.11 -2.98 0.05 0.00 1.00 0.00 0.00 64.86 62.82 1tof h ILE 42 Cb 1.88 2.77 -0.09 0.00 -0.74 0.00 0.00 36.82 40.64 1tof h ILE 42 CO 0.13 0.87 -0.54 0.00 0.00 0.00 0.00 178.15 178.61 1tof h ALA 43 N 0.77 -0.71 -0.87 1.87 0.00 -1.01 -0.97 119.26 118.34 1tof h ALA 43 Ca -0.08 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1tof h ALA 43 Cb 1.78 1.10 -0.04 0.00 0.00 0.00 0.00 17.79 20.63 1tof h ALA 43 CO 0.17 -1.02 0.58 -1.00 0.00 0.00 0.00 179.25 177.97 1tof h PRO 44 N -0.38 1.13 0.05 0.00 0.13 -1.73 -0.20 132.00 131.01 1tof h PRO 44 Ca 0.09 -0.07 0.03 0.00 -0.87 0.00 0.00 66.00 65.18 1tof h PRO 44 Cb 0.59 -0.25 -0.04 0.00 0.13 0.00 0.00 31.00 31.43 1tof h PRO 44 CO -0.61 0.74 -0.25 -0.07 -0.23 0.00 0.00 178.00 177.59 1tof h LEU 45 N 1.16 -0.74 -0.91 1.56 4.07 -1.45 0.89 115.31 119.90 1tof h LEU 45 Ca 0.32 0.09 0.05 0.00 0.08 0.00 0.00 57.88 58.43 1tof h LEU 45 Cb -0.11 0.29 -0.06 0.00 1.08 0.00 0.00 40.66 41.87 1tof h LEU 45 CO -0.08 -0.33 0.58 0.15 -1.08 0.00 0.00 178.44 177.68 1tof h PHE 46 N -0.42 1.08 -0.82 1.13 3.04 -0.79 -2.44 116.94 117.72 1tof h PHE 46 Ca 0.05 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.10 1tof h PHE 46 Cb 0.48 -0.35 -0.05 0.00 2.56 0.00 0.00 35.95 38.58 1tof h PHE 46 CO -0.27 0.59 0.54 1.49 -2.02 0.00 0.00 178.31 178.64 1tof h GLU 47 N 1.09 0.85 0.19 1.11 4.81 0.43 -0.46 114.58 122.60 1tof h GLU 47 Ca 0.38 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1tof h GLU 47 Cb 0.09 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1tof h GLU 47 CO -0.15 0.56 -0.10 1.79 -0.73 0.00 0.00 179.01 180.39 1tof h THR 48 N 0.87 0.80 -0.88 0.32 1.35 -0.38 0.77 112.91 115.76 1tof h THR 48 Ca 0.36 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.27 1tof h THR 48 Cb 0.27 0.80 -0.06 0.00 -1.73 0.00 0.00 68.15 67.44 1tof h THR 48 CO -0.13 0.00 0.56 -0.07 -0.25 0.00 0.00 175.52 175.63 1tof h LEU 49 N -0.26 0.90 -0.04 3.87 -0.00 -1.49 0.88 115.31 119.16 1tof h LEU 49 Ca -0.02 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.90 1tof h LEU 49 Cb 0.20 -0.19 -0.05 0.00 -0.00 0.00 0.00 40.66 40.62 1tof h LEU 49 CO 0.04 0.60 -0.31 0.28 -0.00 0.00 0.00 178.44 179.05 1tof h SER 50 N 1.05 -0.93 -0.90 -0.43 0.02 -0.48 -0.72 113.55 111.17 1tof h SER 50 Ca 0.37 0.13 0.03 0.00 -0.84 0.00 0.00 61.79 61.48 1tof h SER 50 Cb 0.09 0.38 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 1tof h SER 50 CO -0.15 -0.36 0.58 -1.13 -1.14 0.00 0.00 176.83 174.63 1tof h ASN 51 N -0.43 0.97 0.34 3.07 -0.00 -0.04 0.80 115.58 120.30 1tof h ASN 51 Ca 0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.35 1tof h ASN 51 Cb 0.54 -0.22 -0.00 0.00 -0.00 0.00 0.00 38.32 38.63 1tof h ASN 51 CO -0.29 0.67 -0.20 -0.78 -0.00 0.00 0.00 177.43 176.84 1tof h ASP 52 N 1.14 -0.50 1.76 1.15 3.58 -0.10 -3.19 116.42 120.27 1tof h ASP 52 Ca 0.36 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.80 1tof h ASP 52 Cb -0.01 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 1tof h ASP 52 CO -0.11 -0.32 -0.24 1.88 -2.88 0.00 0.00 179.24 177.56 1tof h TYR 53 N -0.51 0.00 -0.00 0.28 -1.99 -1.00 -3.48 116.97 110.26 1tof h TYR 53 Ca -0.04 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.64 1tof h TYR 53 Cb 0.42 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.15 1tof h TYR 53 CO -0.08 0.14 0.09 0.00 -0.00 0.00 0.00 178.16 178.31 1tof n ALA 54 N -2.15 0.01 0.00 3.88 0.00 0.26 -3.84 120.51 118.68 1tof n ALA 54 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1tof n ALA 54 Cb 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1tof n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tof n GLY 55 N 0.53 1.51 1.43 0.00 0.00 -1.26 -4.82 105.19 102.58 1tof n GLY 55 Ca 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 1tof n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tof n LYS 56 N 0.00 2.37 -3.80 1.61 5.02 -1.25 -0.24 118.16 121.86 1tof n LYS 56 Ca 0.00 -1.60 -0.09 0.00 -2.02 0.00 0.00 58.31 54.59 1tof n LYS 56 Cb 0.00 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.19 1tof n LYS 56 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1tof s VAL 57 N -1.82 0.10 -0.36 -0.18 -7.23 -1.26 -4.25 120.40 105.40 1tof s VAL 57 Ca 0.29 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1tof s VAL 57 Cb 0.23 -1.39 0.12 0.00 0.56 0.00 0.00 36.38 35.91 1tof s VAL 57 CO 0.07 -0.47 0.18 -0.63 -0.31 0.00 0.00 175.10 173.94 1tof s ILE 58 N -3.86 0.75 -0.79 -0.62 1.09 -0.31 -0.33 121.20 117.12 1tof s ILE 58 Ca 0.07 -1.81 -0.20 0.00 -1.10 0.00 0.00 60.65 57.60 1tof s ILE 58 Cb 0.03 -1.55 0.10 0.00 -1.06 0.00 0.00 42.46 39.99 1tof s ILE 58 CO -0.09 -0.84 1.04 -0.36 -0.10 0.00 0.00 174.94 174.58 1tof s PHE 59 N 1.09 2.90 -0.40 3.97 0.40 -1.25 -0.23 117.98 124.45 1tof s PHE 59 Ca 0.15 -0.99 -0.20 0.00 -0.60 0.00 0.00 56.93 55.29 1tof s PHE 59 Cb -0.21 -4.28 0.01 0.00 0.51 0.00 0.00 43.02 39.05 1tof s PHE 59 CO -0.10 -1.56 0.62 -0.51 0.70 0.00 0.00 175.22 174.37 1tof s LEU 60 N 3.34 4.42 -0.45 -0.37 1.43 0.63 -3.15 118.68 124.53 1tof s LEU 60 Ca 0.27 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 1tof s LEU 60 Cb -0.11 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.41 1tof s LEU 60 CO -0.00 -0.69 0.66 -0.54 0.23 0.00 0.00 176.35 176.01 1tof s LYS 61 N 2.73 3.27 -0.23 1.70 1.02 -0.24 -0.59 119.74 127.40 1tof s LYS 61 Ca 0.23 -0.41 -0.07 0.00 0.02 0.00 0.00 55.97 55.73 1tof s LYS 61 Cb -0.14 -3.97 -0.03 0.00 -0.52 0.00 0.00 37.83 33.16 1tof s LYS 61 CO 0.17 -1.06 0.07 0.08 -0.92 0.00 0.00 175.35 173.69 1tof s VAL 62 N 2.88 4.42 -1.24 3.17 1.01 0.12 -0.73 120.40 130.03 1tof s VAL 62 Ca 0.23 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 1tof s VAL 62 Cb -0.14 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1tof s VAL 62 CO 0.18 0.37 1.77 -1.81 0.00 0.00 0.00 175.10 175.61 1tof s ASP 63 N 1.31 6.30 0.30 3.32 1.01 -0.37 -1.85 116.67 126.69 1tof s ASP 63 Ca 0.05 -2.12 -0.01 0.00 0.71 0.00 0.00 52.55 51.18 1tof s ASP 63 Cb -0.15 -2.58 0.68 0.00 1.01 0.00 0.00 42.92 41.88 1tof s ASP 63 CO 0.03 -1.74 1.56 1.33 0.21 0.00 0.00 175.17 176.57 1tof n VAL 64 N 6.84 -0.42 -0.35 -1.27 0.24 -1.24 -0.76 118.33 121.38 1tof n VAL 64 Ca 0.46 2.22 0.07 0.00 -2.04 0.00 0.00 64.34 65.05 1tof n VAL 64 Cb 0.47 -3.19 0.23 0.00 -1.47 0.00 0.00 33.84 29.88 1tof n VAL 64 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1tof h ASP 65 N 0.00 0.85 0.02 -1.34 3.58 -1.89 -1.95 116.42 115.70 1tof h ASP 65 Ca 0.57 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 58.03 1tof h ASP 65 Cb 1.11 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1tof h ASP 65 CO -0.96 0.44 -0.19 0.00 -2.88 0.00 0.00 179.24 175.65 1tof h ALA 66 N 1.54 -0.01 -0.05 -0.78 0.00 -1.23 -3.32 119.26 115.41 1tof h ALA 66 Ca 0.49 -0.51 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 1tof h ALA 66 Cb 0.52 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1tof h ALA 66 CO -0.28 0.07 0.27 0.28 0.00 0.00 0.00 179.25 179.59 1tof n VAL 67 N -4.52 3.23 0.31 0.00 0.31 -0.50 -4.69 118.33 112.47 1tof n VAL 67 Ca -0.11 -1.79 -0.17 0.00 -0.01 0.00 0.00 64.34 62.26 1tof n VAL 67 Cb 0.53 -2.05 -0.09 0.00 -0.91 0.00 0.00 33.84 31.32 1tof n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1tof h ALA 68 N 3.29 -0.98 -0.27 3.52 0.00 -1.48 -0.38 119.26 122.95 1tof h ALA 68 Ca 0.30 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1tof h ALA 68 Cb 1.28 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 19.57 1tof h ALA 68 CO 0.50 -1.08 -0.18 0.00 0.00 0.00 0.00 179.25 178.49 1tof h ALA 69 N -0.65 -0.00 -0.13 0.00 0.00 -1.88 0.16 119.26 116.76 1tof h ALA 69 Ca -0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1tof h ALA 69 Cb 0.79 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1tof h ALA 69 CO -0.00 -0.59 0.06 0.28 0.00 0.00 0.00 179.25 178.99 1tof h VAL 70 N -0.17 1.14 -0.65 0.00 2.07 -1.93 -0.12 116.25 116.60 1tof h VAL 70 Ca 0.15 -0.42 0.10 0.00 0.82 0.00 0.00 66.70 67.35 1tof h VAL 70 Cb 0.39 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 1tof h VAL 70 CO -0.37 0.13 0.25 0.00 0.02 0.00 0.00 177.57 177.60 1tof h ALA 71 N 0.91 0.86 0.56 1.67 0.00 -0.44 0.16 119.26 122.98 1tof h ALA 71 Ca 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1tof h ALA 71 Cb 0.15 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1tof h ALA 71 CO -0.00 -0.18 -0.33 1.49 0.00 0.00 0.00 179.25 180.22 1tof h GLU 72 N 0.44 -0.81 -0.91 0.00 4.81 -0.39 -0.10 114.58 117.62 1tof h GLU 72 Ca 0.33 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.71 1tof h GLU 72 Cb 0.42 0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.92 1tof h GLU 72 CO -0.32 -0.54 0.55 0.00 -0.73 0.00 0.00 179.01 177.97 1tof h ALA 73 N -0.46 1.30 0.00 2.92 0.00 -0.42 0.87 119.26 123.47 1tof h ALA 73 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tof h ALA 73 Cb 0.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1tof h ALA 73 CO 0.08 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1tof n ALA 74 N -2.36 2.60 -3.66 0.00 0.00 0.51 -4.92 120.51 112.69 1tof n ALA 74 Ca 0.15 -0.13 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 1tof n ALA 74 Cb 0.26 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.43 1tof n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tof n GLY 75 N 0.80 -0.50 3.76 0.00 0.00 0.30 -4.94 105.19 104.61 1tof n GLY 75 Ca 0.16 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 1tof n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tof s ILE 76 N -3.34 2.53 0.00 -0.61 1.09 -0.14 -4.85 121.20 115.88 1tof s ILE 76 Ca 0.50 0.49 0.00 0.00 -1.10 0.00 0.00 60.65 60.54 1tof s ILE 76 Cb -0.23 -3.31 0.00 0.00 -1.06 0.00 0.00 42.46 37.86 1tof s ILE 76 CO 0.76 0.10 0.00 0.35 -0.10 0.00 0.00 174.94 176.05 1tof n THR 77 N 1.46 0.00 -2.10 2.92 -2.24 -1.26 -4.89 114.28 108.17 1tof n THR 77 Ca 0.03 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.46 1tof n THR 77 Cb 0.40 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 1tof n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tof n ALA 78 N -1.05 2.73 -1.79 6.98 0.00 -1.26 -4.96 120.51 121.17 1tof n ALA 78 Ca 0.00 -3.36 -0.41 0.00 0.00 0.00 0.00 53.44 49.68 1tof n ALA 78 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 19.45 15.88 1tof n ALA 78 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1tof s MET 79 N 5.42 4.46 0.16 0.00 1.00 -1.26 -3.27 119.30 125.80 1tof s MET 79 Ca 0.61 2.06 -0.31 0.00 0.00 0.00 0.00 55.69 58.06 1tof s MET 79 Cb 0.03 -3.12 -0.08 0.00 0.00 0.00 0.00 34.83 31.66 1tof s MET 79 CO 0.10 -0.06 1.33 -2.14 0.00 0.00 0.00 175.02 174.26 1tof s PRO 80 N -1.51 4.37 -0.32 2.03 0.02 -1.26 -4.65 135.00 133.68 1tof s PRO 80 Ca 0.48 2.04 -0.06 0.00 0.02 0.00 0.00 61.00 63.48 1tof s PRO 80 Cb -0.37 -3.23 0.03 0.00 0.02 0.00 0.00 34.50 30.96 1tof s PRO 80 CO 0.47 -0.32 0.09 0.99 -0.33 0.00 0.00 177.00 177.90 1tof s THR 81 N 0.56 3.82 -0.43 0.99 2.01 0.05 -0.14 115.64 122.50 1tof s THR 81 Ca 0.60 -0.97 -0.15 0.00 0.31 0.00 0.00 61.69 61.48 1tof s THR 81 Cb -0.36 -3.09 0.04 0.00 0.01 0.00 0.00 72.50 69.10 1tof s THR 81 CO 0.34 -0.07 0.35 -0.36 -0.69 0.00 0.00 174.62 174.19 1tof s PHE 82 N 1.44 3.23 0.27 4.92 0.08 0.76 -0.77 117.98 127.90 1tof s PHE 82 Ca -0.00 -0.69 0.08 0.00 0.12 0.00 0.00 56.93 56.44 1tof s PHE 82 Cb -0.19 -2.83 -0.04 0.00 -0.57 0.00 0.00 43.02 39.40 1tof s PHE 82 CO 0.02 -0.68 0.16 -1.01 -0.10 0.00 0.00 175.22 173.61 1tof s HIS 83 N 1.73 2.97 -0.20 0.36 3.76 -0.12 -0.78 115.29 123.00 1tof s HIS 83 Ca 0.05 -0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 54.78 1tof s HIS 83 Cb -0.21 -1.41 0.06 0.00 1.11 0.00 0.00 32.58 32.13 1tof s HIS 83 CO 0.09 0.50 -0.00 0.08 -0.85 0.00 0.00 174.74 174.56 1tof s VAL 84 N -2.21 0.92 -0.37 -0.90 1.01 0.09 -0.37 120.40 118.57 1tof s VAL 84 Ca 0.34 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1tof s VAL 84 Cb -0.07 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 35.06 1tof s VAL 84 CO 0.24 -0.12 0.18 -0.31 0.00 0.00 0.00 175.10 175.08 1tof s TYR 85 N 1.68 3.28 -0.48 5.22 1.51 -0.05 0.31 117.35 128.82 1tof s TYR 85 Ca -0.02 -1.35 -0.26 0.00 -1.01 0.00 0.00 57.07 54.43 1tof s TYR 85 Cb -0.17 -2.53 0.03 0.00 -0.11 0.00 0.00 41.96 39.18 1tof s TYR 85 CO -0.07 -0.75 0.98 0.15 -1.11 0.00 0.00 175.55 174.75 1tof s LYS 86 N 1.44 3.55 0.00 -0.62 1.02 0.19 -0.43 119.74 124.90 1tof s LYS 86 Ca 0.01 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.21 1tof s LYS 86 Cb -0.20 -3.94 0.00 0.00 -0.52 0.00 0.00 37.83 33.17 1tof s LYS 86 CO 0.04 -1.29 0.00 -3.47 -0.92 0.00 0.00 175.35 169.70 1tof n ASP 87 N 7.38 0.00 0.00 2.83 2.03 -0.82 -2.46 116.55 125.51 1tof n ASP 87 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1tof n ASP 87 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1tof n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1tof n GLY 88 N 0.00 0.17 3.74 0.27 0.00 -1.26 -4.86 105.19 103.24 1tof n GLY 88 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1tof n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tof s VAL 89 N -1.10 3.33 -0.52 1.61 0.11 -1.03 -4.90 120.40 117.90 1tof s VAL 89 Ca 0.00 1.10 -0.27 0.00 -2.93 0.00 0.00 61.98 59.88 1tof s VAL 89 Cb 0.00 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 31.11 1tof s VAL 89 CO 0.00 0.17 2.01 -0.75 -3.33 0.00 0.00 175.10 173.20 1tof s LYS 90 N -0.14 2.61 0.04 1.54 2.20 -1.26 -0.64 119.74 124.09 1tof s LYS 90 Ca 0.55 1.00 0.04 0.00 -0.36 0.00 0.00 55.97 57.20 1tof s LYS 90 Cb -0.35 -4.41 -0.24 0.00 -1.51 0.00 0.00 37.83 31.31 1tof s LYS 90 CO 0.38 -2.73 1.00 0.00 -0.36 0.00 0.00 175.35 173.64 1tof h ALA 91 N 15.91 0.39 -2.95 3.13 0.00 -0.49 -3.48 119.26 131.77 1tof h ALA 91 Ca -0.27 -1.09 0.03 0.00 0.00 0.00 0.00 54.91 53.58 1tof h ALA 91 Cb 1.19 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 1tof h ALA 91 CO 1.16 1.25 0.13 0.34 0.00 0.00 0.00 179.25 182.14 1tof s ASP 92 N -6.72 -0.24 0.09 0.00 -1.08 -0.32 -4.98 116.67 103.42 1tof s ASP 92 Ca -0.04 -0.64 -0.05 0.00 -0.52 0.00 0.00 52.55 51.29 1tof s ASP 92 Cb 0.08 0.68 -0.02 0.00 -1.46 0.00 0.00 42.92 42.20 1tof s ASP 92 CO 0.84 -1.26 0.12 -1.81 0.52 0.00 0.00 175.17 173.57 1tof s ASP 93 N -2.93 0.25 -0.21 -0.34 1.11 -1.26 -0.73 116.67 112.56 1tof s ASP 93 Ca 0.13 -0.84 -0.31 0.00 0.18 0.00 0.00 52.55 51.71 1tof s ASP 93 Cb -0.04 0.30 0.15 0.00 1.07 0.00 0.00 42.92 44.40 1tof s ASP 93 CO 0.06 -0.71 1.18 -0.22 1.18 0.00 0.00 175.17 176.66 1tof s LEU 94 N -2.91 -0.19 0.14 1.23 2.96 0.04 -4.94 118.68 115.01 1tof s LEU 94 Ca 0.09 0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1tof s LEU 94 Cb 0.06 1.46 -0.03 0.00 0.50 0.00 0.00 46.19 48.18 1tof s LEU 94 CO -0.08 -0.21 0.11 0.68 -1.32 0.00 0.00 176.35 175.52 1tof s VAL 95 N -1.48 0.10 0.11 1.68 -7.23 -1.26 -0.17 120.40 112.13 1tof s VAL 95 Ca 0.05 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1tof s VAL 95 Cb -0.01 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1tof s VAL 95 CO -0.04 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 1tof n GLY 96 N -0.12 -2.10 1.79 2.32 0.00 0.80 -4.13 105.19 103.76 1tof n GLY 96 Ca -0.06 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.52 1tof n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tof n ALA 97 N -1.31 4.40 -1.45 4.61 0.00 -1.26 -4.58 120.51 120.92 1tof n ALA 97 Ca 0.00 -0.65 -0.40 0.00 0.00 0.00 0.00 53.44 52.40 1tof n ALA 97 Cb 0.21 -1.65 -0.02 0.00 0.00 0.00 0.00 19.45 17.98 1tof n ALA 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1tof n SER 98 N 2.01 8.06 -0.28 0.00 7.64 -1.26 -4.72 113.62 125.08 1tof n SER 98 Ca 0.15 -2.67 0.01 0.00 1.01 0.00 0.00 58.87 57.37 1tof n SER 98 Cb 0.57 -1.55 0.14 0.00 -1.01 0.00 0.00 64.21 62.36 1tof n SER 98 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1tof h GLN 99 N 5.09 0.78 -0.08 1.43 1.08 -1.95 0.16 115.11 121.62 1tof h GLN 99 Ca 0.82 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.99 1tof h GLN 99 Cb 0.33 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1tof h GLN 99 CO 1.77 0.51 -0.04 0.38 -0.95 0.00 0.00 178.83 180.50 1tof h ASP 100 N 0.80 -0.14 -0.60 1.46 2.03 -2.00 -0.14 116.42 117.84 1tof h ASP 100 Ca 0.36 0.03 -0.10 0.00 -0.73 0.00 0.00 57.03 56.60 1tof h ASP 100 Cb 0.26 0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 38.82 1tof h ASP 100 CO -0.21 -0.06 0.00 0.50 -1.03 0.00 0.00 179.24 178.44 1tof h LYS 101 N -0.04 1.05 0.10 4.15 1.63 -1.76 -1.05 116.57 120.65 1tof h LYS 101 Ca 0.05 -0.33 0.02 0.00 -0.85 0.00 0.00 60.65 59.53 1tof h LYS 101 Cb 0.11 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 1tof h LYS 101 CO -0.11 1.03 -0.31 1.25 -3.45 0.00 0.00 179.45 177.87 1tof h LEU 102 N 0.95 -0.89 -0.28 5.20 5.85 -0.40 0.16 115.31 125.90 1tof h LEU 102 Ca 0.17 0.11 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1tof h LEU 102 Cb 0.56 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1tof h LEU 102 CO 0.03 -0.39 -0.15 0.11 -0.34 0.00 0.00 178.44 177.70 1tof h LYS 103 N -0.51 -0.11 -0.36 1.25 1.57 -0.77 0.83 116.57 118.46 1tof h LYS 103 Ca 0.04 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1tof h LYS 103 Cb 0.55 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1tof h LYS 103 CO -0.20 -0.07 0.06 0.00 -0.57 0.00 0.00 179.45 178.68 1tof h ALA 104 N 1.10 0.38 -0.07 3.86 0.00 -0.72 0.20 119.26 124.01 1tof h ALA 104 Ca 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1tof h ALA 104 Cb 0.33 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1tof h ALA 104 CO -0.35 -0.34 0.02 -0.07 0.00 0.00 0.00 179.25 178.52 1tof h LEU 105 N 0.18 0.11 -0.05 0.00 3.38 -0.12 0.18 115.31 118.99 1tof h LEU 105 Ca 0.17 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1tof h LEU 105 Cb 0.20 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1tof h LEU 105 CO -0.23 0.27 -0.27 0.58 0.09 0.00 0.00 178.44 178.87 1tof h VAL 106 N -0.06 0.37 -0.12 1.22 2.07 -0.56 0.91 116.25 120.08 1tof h VAL 106 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1tof h VAL 106 Cb 0.20 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 1tof h VAL 106 CO -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.27 1tof h ALA 107 N 0.44 -0.37 0.16 1.67 0.00 -0.82 0.29 119.26 120.62 1tof h ALA 107 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tof h ALA 107 Cb 0.50 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1tof h ALA 107 CO -0.27 -0.80 -0.27 -0.22 0.00 0.00 0.00 179.25 177.69 1tof h LYS 108 N -0.40 -0.45 0.00 0.00 3.64 -0.51 1.00 116.57 119.86 1tof h LYS 108 Ca 0.09 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1tof h LYS 108 Cb 0.54 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1tof h LYS 108 CO -0.35 -0.30 0.00 0.45 -2.27 0.00 0.00 179.45 176.99 1tof h HIS 109 N -0.46 0.00 0.23 1.91 3.86 -0.69 0.26 115.15 120.26 1tof h HIS 109 Ca -0.02 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.85 1tof h HIS 109 Cb 0.43 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.93 1tof h HIS 109 CO -0.28 0.00 -1.58 0.00 0.86 0.00 0.00 177.93 176.93 1tof h ALA 110 N 2.00 -0.05 -0.26 2.45 0.00 -0.23 -3.38 119.26 119.79 1tof h ALA 110 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 54.91 53.79 1tof h ALA 110 Cb 0.33 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1tof h ALA 110 CO 0.00 0.81 -0.47 0.00 0.00 0.00 0.00 179.25 179.59 1tof h ALA 111 N 0.13 0.41 0.00 0.00 0.00 0.15 -3.49 119.26 116.46 1tof h ALA 111 Ca -0.29 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1tof h ALA 111 Cb 2.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1tof h ALA 111 CO 0.24 0.57 0.00 0.00 0.00 0.00 0.00 179.25 180.06