#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 4.33 0.19 -0.02 0.00 -1.26 -1.90 105.19 106.54 1tof n GLY 2 Ca 0.00 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1tof n GLY 2 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tof h SER 3 N 0.00 0.00 -3.38 1.61 4.64 -1.90 -3.43 113.55 111.10 1tof h SER 3 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1tof h SER 3 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1tof h SER 3 CO 0.00 0.31 -0.48 0.68 -0.87 0.00 0.00 176.83 176.47 1tof s VAL 4 N -3.45 5.39 -0.04 0.95 -7.23 -0.80 -0.59 120.40 114.62 1tof s VAL 4 Ca 0.02 0.21 -0.07 0.00 -1.81 0.00 0.00 61.98 60.33 1tof s VAL 4 Cb 0.09 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.55 1tof s VAL 4 CO 0.67 0.40 0.17 -0.63 -0.31 0.00 0.00 175.10 175.41 1tof s ILE 5 N 0.61 0.03 -0.14 -0.62 -1.09 0.54 -0.03 121.20 120.49 1tof s ILE 5 Ca 0.08 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.26 1tof s ILE 5 Cb -0.12 -0.33 0.02 0.00 -1.58 0.00 0.00 42.46 40.46 1tof s ILE 5 CO 0.01 -0.14 -0.13 0.68 -1.23 0.00 0.00 174.94 174.12 1tof s VAL 6 N -0.45 1.49 0.12 2.92 -7.23 -1.26 -0.88 120.40 115.11 1tof s VAL 6 Ca -0.05 -0.59 -0.14 0.00 -1.81 0.00 0.00 61.98 59.39 1tof s VAL 6 Cb -0.04 -1.40 0.02 0.00 0.56 0.00 0.00 36.38 35.53 1tof s VAL 6 CO 0.01 0.44 0.34 -0.51 -0.31 0.00 0.00 175.10 175.08 1tof s ILE 7 N 1.43 0.09 -0.18 -0.62 1.10 0.27 -4.96 121.20 118.33 1tof s ILE 7 Ca 0.03 -0.78 0.19 0.00 -0.51 0.00 0.00 60.65 59.59 1tof s ILE 7 Cb -0.13 -1.25 0.46 0.00 0.15 0.00 0.00 42.46 41.69 1tof s ILE 7 CO -0.09 -0.40 1.16 -0.90 -2.11 0.00 0.00 174.94 172.60 1tof n ASP 8 N -0.18 1.98 -3.65 4.50 5.75 -1.26 -1.31 116.55 122.37 1tof n ASP 8 Ca -0.15 -2.58 -0.10 0.00 -0.01 0.00 0.00 54.79 51.94 1tof n ASP 8 Cb 0.63 -0.41 -0.08 0.00 -1.03 0.00 0.00 41.12 40.24 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 -3.12 -0.80 0.37 -1.12 0.01 -1.26 -4.39 113.70 103.38 1tof s SER 9 Ca 0.35 1.39 0.12 0.00 1.31 0.00 0.00 55.95 59.13 1tof s SER 9 Cb 0.36 1.33 0.93 0.00 0.21 0.00 0.00 66.02 68.85 1tof s SER 9 CO -0.07 -0.23 1.82 0.07 0.41 0.00 0.00 173.24 175.23 1tof h LYS 10 N 6.18 0.56 -0.54 12.44 2.10 -1.96 -3.18 116.57 132.17 1tof h LYS 10 Ca -0.30 -0.03 0.05 0.00 -2.00 0.00 0.00 60.65 58.36 1tof h LYS 10 Cb 1.20 -0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 32.34 1tof h LYS 10 CO 0.14 0.37 -0.32 0.00 -2.00 0.00 0.00 179.45 177.64 1tof n ALA 11 N -2.43 -0.35 0.03 0.07 0.00 -1.26 -0.02 120.51 116.55 1tof n ALA 11 Ca 0.21 0.46 -0.02 0.00 0.00 0.00 0.00 53.44 54.09 1tof n ALA 11 Cb 0.64 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.33 1tof n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tof h ALA 12 N 0.11 1.17 0.17 0.00 0.00 -1.98 -0.54 119.26 118.20 1tof h ALA 12 Ca 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1tof h ALA 12 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1tof h ALA 12 CO -0.51 0.53 -0.08 2.35 0.00 0.00 0.00 179.25 181.54 1tof h TRP 13 N 0.40 -0.21 -0.13 0.00 2.91 -0.58 0.24 115.95 118.57 1tof h TRP 13 Ca 0.06 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 1tof h TRP 13 Cb 0.61 0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.33 1tof h TRP 13 CO 0.02 -0.12 -0.04 0.38 -1.03 0.00 0.00 178.44 177.65 1tof h ASP 14 N -0.24 0.26 -0.34 2.65 3.04 -0.90 0.24 116.42 121.13 1tof h ASP 14 Ca -0.02 -0.38 0.07 0.00 -3.24 0.00 0.00 57.03 53.46 1tof h ASP 14 Cb 0.18 -0.07 -0.07 0.00 -1.04 0.00 0.00 39.33 38.33 1tof h ASP 14 CO 0.04 0.58 -0.14 0.00 -2.04 0.00 0.00 179.24 177.68 1tof h ALA 15 N 0.69 0.15 -0.17 4.15 0.00 -1.05 -0.42 119.26 122.62 1tof h ALA 15 Ca 0.03 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1tof h ALA 15 Cb 0.46 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1tof h ALA 15 CO 0.01 -0.51 -0.12 1.96 0.00 0.00 0.00 179.25 180.60 1tof h GLN 16 N -0.07 0.38 -0.78 0.00 7.50 -0.90 -2.12 115.11 119.12 1tof h GLN 16 Ca 0.17 -0.18 0.14 0.00 0.50 0.00 0.00 58.65 59.28 1tof h GLN 16 Cb 0.33 -0.00 -0.14 0.00 0.05 0.00 0.00 27.48 27.72 1tof h GLN 16 CO -0.39 0.72 -0.29 -0.07 -1.50 0.00 0.00 178.83 177.30 1tof h LEU 17 N 0.04 -1.04 0.00 1.46 3.38 -0.42 0.43 115.31 119.17 1tof h LEU 17 Ca 0.03 0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1tof h LEU 17 Cb 0.62 0.58 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1tof h LEU 17 CO 0.03 -0.29 -0.00 0.00 0.09 0.00 0.00 178.44 178.28 1tof h ALA 18 N 1.46 -0.93 -0.01 1.53 0.00 -1.01 -2.98 119.26 117.32 1tof h ALA 18 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1tof h ALA 18 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1tof h ALA 18 CO -0.82 -0.93 0.01 1.57 0.00 0.00 0.00 179.25 179.08 1tof h LYS 19 N -0.00 0.00 0.00 0.00 2.10 -1.24 -1.00 116.57 116.42 1tof h LYS 19 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1tof h LYS 19 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1tof h LYS 19 CO 0.00 0.00 -0.10 0.78 -2.00 0.00 0.00 179.45 178.13 1tof h GLY 20 N 0.00 0.00 -5.31 0.07 0.00 -0.16 -3.48 103.07 94.19 1tof h GLY 20 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1tof h GLY 20 CO -0.00 0.00 -0.22 0.28 0.00 0.00 0.00 176.54 176.60 1tof n LYS 21 N -3.58 -1.51 0.17 4.80 5.02 -0.38 -4.61 118.16 118.06 1tof n LYS 21 Ca -0.02 1.30 0.15 0.00 -2.02 0.00 0.00 58.31 57.72 1tof n LYS 21 Cb 0.23 -5.64 0.51 0.00 -0.02 0.00 0.00 35.03 30.11 1tof n LYS 21 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1tof h GLU 22 N 0.05 0.00 -0.71 1.97 9.09 -1.76 -2.68 114.58 120.54 1tof h GLU 22 Ca -0.16 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.36 1tof h GLU 22 Cb 1.08 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 28.07 1tof h GLU 22 CO 0.33 0.00 -0.29 0.39 0.05 0.00 0.00 179.01 179.49 1tof n GLU 23 N -3.04 -0.18 0.00 1.06 1.02 -1.19 -0.11 120.64 118.19 1tof n GLU 23 Ca 0.06 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.28 1tof n GLU 23 Cb 0.83 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 1tof n GLU 23 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1tof n HIS 24 N -5.03 0.00 -2.62 -0.32 -0.00 -1.10 -3.57 115.22 102.58 1tof n HIS 24 Ca 0.07 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.36 1tof n HIS 24 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.24 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 -0.62 3.99 0.16 1.57 3.01 -1.03 -4.86 119.74 121.96 1tof s LYS 25 Ca 0.00 0.98 -0.31 0.00 -1.01 0.00 0.00 55.97 55.63 1tof s LYS 25 Cb 0.00 -3.77 -0.10 0.00 -1.01 0.00 0.00 37.83 32.94 1tof s LYS 25 CO 0.00 -1.00 1.63 -1.25 0.51 0.00 0.00 175.35 175.23 1tof s PRO 26 N 3.83 4.19 -0.85 -1.68 0.04 -1.26 -4.36 135.00 134.91 1tof s PRO 26 Ca 0.46 2.42 -0.11 0.00 0.04 0.00 0.00 61.00 63.82 1tof s PRO 26 Cb -0.11 -3.23 0.22 0.00 0.04 0.00 0.00 34.50 31.42 1tof s PRO 26 CO 0.19 -0.67 0.78 0.42 0.04 0.00 0.00 177.00 177.76 1tof s ILE 27 N 1.45 5.29 -0.28 0.56 -1.09 -1.26 -0.95 121.20 124.92 1tof s ILE 27 Ca 0.72 -2.81 -0.26 0.00 -2.23 0.00 0.00 60.65 56.07 1tof s ILE 27 Cb -0.44 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.17 1tof s ILE 27 CO 0.32 -1.04 0.91 0.54 -1.23 0.00 0.00 174.94 174.44 1tof s VAL 28 N -0.22 4.71 -0.28 2.92 0.11 0.31 -1.15 120.40 126.80 1tof s VAL 28 Ca 0.21 1.55 -0.07 0.00 -2.93 0.00 0.00 61.98 60.74 1tof s VAL 28 Cb -0.12 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.50 1tof s VAL 28 CO -0.08 -0.26 0.06 -0.69 -3.33 0.00 0.00 175.10 170.80 1tof s VAL 29 N 3.15 3.95 -0.92 2.04 1.01 0.42 -0.64 120.40 129.41 1tof s VAL 29 Ca 0.38 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 1tof s VAL 29 Cb -0.14 -2.98 0.16 0.00 0.00 0.00 0.00 36.38 33.42 1tof s VAL 29 CO 0.11 0.17 1.05 -0.62 0.00 0.00 0.00 175.10 175.81 1tof s ASP 30 N 1.52 6.71 -0.89 3.32 2.15 -0.04 -1.43 116.67 128.00 1tof s ASP 30 Ca 0.04 -2.31 -0.25 0.00 0.43 0.00 0.00 52.55 50.46 1tof s ASP 30 Cb -0.16 -2.35 0.04 0.00 -0.30 0.00 0.00 42.92 40.15 1tof s ASP 30 CO 0.02 -0.90 1.39 -0.36 -0.17 0.00 0.00 175.17 175.15 1tof s PHE 31 N 1.87 2.40 0.23 -5.34 0.08 0.39 -0.61 117.98 117.00 1tof s PHE 31 Ca 0.29 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.90 1tof s PHE 31 Cb -0.06 -4.65 0.01 0.00 -0.57 0.00 0.00 43.02 37.75 1tof s PHE 31 CO -0.09 -2.00 0.07 -2.37 -0.10 0.00 0.00 175.22 170.73 1tof n THR 32 N 6.69 0.00 -4.03 0.64 5.66 -0.31 -0.81 114.28 122.12 1tof n THR 32 Ca 0.20 -1.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.05 1tof n THR 32 Cb 0.50 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.14 1tof n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tof s ALA 33 N -2.36 0.25 0.16 1.79 0.00 -1.26 -0.41 121.76 119.93 1tof s ALA 33 Ca 0.05 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 1tof s ALA 33 Cb -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1tof s ALA 33 CO 0.03 0.05 1.55 1.79 0.00 0.00 0.00 175.76 179.19 1tof h THR 34 N 5.13 0.01 0.00 0.00 1.35 -1.95 0.07 112.91 117.52 1tof h THR 34 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1tof h THR 34 Cb 1.20 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1tof h THR 34 CO 0.50 0.00 0.00 -2.67 -0.25 0.00 0.00 175.52 173.10 1tof n TRP 35 N -5.32 0.00 0.89 4.73 4.27 -1.26 -3.49 117.44 117.26 1tof n TRP 35 Ca 0.02 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.73 1tof n TRP 35 Cb 0.30 0.00 0.50 0.00 -1.36 0.00 0.00 31.31 30.76 1tof n TRP 35 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1tof n GLY 37 N 0.61 1.69 0.33 0.00 0.00 -1.23 -2.05 105.19 104.54 1tof n GLY 37 Ca 0.08 0.51 0.22 0.00 0.00 0.00 0.00 46.02 46.84 1tof n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tof h PRO 38 N 0.00 0.20 -0.15 1.61 0.11 -1.95 0.93 132.00 132.74 1tof h PRO 38 Ca 0.00 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.14 1tof h PRO 38 Cb 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1tof h PRO 38 CO 0.00 0.13 0.16 0.00 -0.21 0.00 0.00 178.00 178.08 1tof h LYS 40 N 0.00 0.00 -0.04 0.00 1.63 -1.02 0.15 116.57 117.29 1tof h LYS 40 Ca 0.07 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1tof h LYS 40 Cb 0.40 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1tof h LYS 40 CO -0.00 0.00 0.12 0.52 -3.45 0.00 0.00 179.45 176.64 1tof h MET 41 N 0.00 0.00 -0.09 1.90 2.86 -1.47 0.84 114.93 118.97 1tof h MET 41 Ca 0.23 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.76 1tof h MET 41 Cb 1.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1tof h MET 41 CO -0.00 0.00 -0.42 0.82 1.06 0.00 0.00 176.91 178.37 1tof h ILE 42 N 0.00 1.31 0.18 -1.22 2.04 -1.18 -3.33 117.51 115.31 1tof h ILE 42 Ca 0.02 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.36 1tof h ILE 42 Cb 0.26 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 1tof h ILE 42 CO -0.00 0.46 -0.37 0.00 0.00 0.00 0.00 178.15 178.23 1tof h ALA 43 N 1.39 -0.69 -0.50 1.87 0.00 -0.99 0.15 119.26 120.49 1tof h ALA 43 Ca 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1tof h ALA 43 Cb 0.82 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1tof h ALA 43 CO 0.06 -0.95 0.33 -1.00 0.00 0.00 0.00 179.25 177.70 1tof h PRO 44 N -0.64 0.61 0.41 0.00 0.13 -1.73 0.29 132.00 131.08 1tof h PRO 44 Ca 0.01 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1tof h PRO 44 Cb 0.65 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1tof h PRO 44 CO -0.18 0.40 -0.20 -0.07 -0.23 0.00 0.00 178.00 177.72 1tof h LEU 45 N 0.63 -0.47 -1.09 1.56 -0.00 -1.54 0.24 115.31 114.63 1tof h LEU 45 Ca 0.19 -0.03 0.08 0.00 -0.00 0.00 0.00 57.88 58.13 1tof h LEU 45 Cb 0.01 0.12 -0.07 0.00 -0.00 0.00 0.00 40.66 40.72 1tof h LEU 45 CO -0.05 -0.28 0.61 0.15 -0.00 0.00 0.00 178.44 178.88 1tof h PHE 46 N -0.63 1.10 -0.68 1.13 3.57 -0.48 -1.02 116.94 119.93 1tof h PHE 46 Ca -0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1tof h PHE 46 Cb 0.47 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1tof h PHE 46 CO -0.03 0.54 0.35 1.49 -2.23 0.00 0.00 178.31 178.43 1tof h GLU 47 N 1.05 0.96 -0.24 1.11 4.22 -0.03 0.31 114.58 121.96 1tof h GLU 47 Ca 0.42 -0.13 0.02 0.00 0.08 0.00 0.00 59.36 59.76 1tof h GLU 47 Cb 0.27 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1tof h GLU 47 CO -0.18 0.74 0.10 1.15 -2.18 0.00 0.00 179.01 178.64 1tof h THR 48 N 0.93 0.96 -0.67 0.32 2.02 0.70 0.16 112.91 117.33 1tof h THR 48 Ca 0.24 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.36 1tof h THR 48 Cb 0.08 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1tof h THR 48 CO -0.03 0.04 0.45 0.25 0.37 0.00 0.00 175.52 176.59 1tof h LEU 49 N 0.22 0.75 -0.19 2.58 5.85 -0.66 -0.37 115.31 123.49 1tof h LEU 49 Ca 0.10 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1tof h LEU 49 Cb 0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1tof h LEU 49 CO -0.09 0.53 0.06 0.28 -0.34 0.00 0.00 178.44 178.88 1tof h SER 50 N 0.88 0.06 0.20 1.25 0.02 0.14 0.41 113.55 116.50 1tof h SER 50 Ca 0.25 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1tof h SER 50 Cb -0.05 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1tof h SER 50 CO -0.06 0.06 -0.23 -1.13 -1.14 0.00 0.00 176.83 174.33 1tof h ASN 51 N 0.15 -0.62 -0.70 3.07 -1.24 -0.00 -0.29 115.58 115.95 1tof h ASN 51 Ca 0.08 0.06 0.10 0.00 0.71 0.00 0.00 56.30 57.25 1tof h ASN 51 Cb 0.06 0.22 -0.07 0.00 0.73 0.00 0.00 38.32 39.25 1tof h ASN 51 CO -0.09 -0.33 0.33 0.44 -1.29 0.00 0.00 177.43 176.49 1tof h ASP 52 N -0.47 0.41 -0.76 1.15 3.32 -0.61 -1.49 116.42 117.98 1tof h ASP 52 Ca 0.01 0.07 -0.43 0.00 0.02 0.00 0.00 57.03 56.69 1tof h ASP 52 Cb 0.45 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.76 1tof h ASP 52 CO -0.07 0.23 0.34 -1.22 -1.72 0.00 0.00 179.24 176.79 1tof n TYR 53 N -4.89 2.40 -1.69 4.55 4.02 0.09 -5.04 117.16 116.59 1tof n TYR 53 Ca 0.11 -2.00 -0.40 0.00 -0.01 0.00 0.00 57.90 55.60 1tof n TYR 53 Cb 0.28 -0.84 0.02 0.00 -0.02 0.00 0.00 39.34 38.79 1tof n TYR 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1tof n ALA 54 N -1.07 1.14 0.00 -0.72 0.00 -0.13 -1.87 120.51 117.86 1tof n ALA 54 Ca 0.50 0.20 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1tof n ALA 54 Cb 1.24 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.89 1.36 0.25 0.00 0.00 -1.26 -4.50 105.19 101.92 1tof n GLY 55 Ca 0.09 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1tof n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tof h LYS 56 N 0.00 0.10 -5.80 1.61 1.57 -1.96 -3.42 116.57 108.67 1tof h LYS 56 Ca 0.00 -0.01 -0.55 0.00 -1.87 0.00 0.00 60.65 58.22 1tof h LYS 56 Cb 0.00 -0.02 -0.27 0.00 0.08 0.00 0.00 32.23 32.02 1tof h LYS 56 CO 0.00 0.17 -0.83 0.08 -0.57 0.00 0.00 179.45 178.30 1tof s VAL 57 N -4.90 1.47 -0.30 0.50 1.01 -0.78 -4.36 120.40 113.04 1tof s VAL 57 Ca -0.05 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 1tof s VAL 57 Cb 0.16 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1tof s VAL 57 CO 0.70 0.25 0.20 -0.63 0.00 0.00 0.00 175.10 175.62 1tof s ILE 58 N -0.66 5.22 -0.40 2.22 -1.09 -0.12 -4.65 121.20 121.72 1tof s ILE 58 Ca 0.06 -0.02 -0.08 0.00 -2.23 0.00 0.00 60.65 58.38 1tof s ILE 58 Cb -0.08 -3.57 0.07 0.00 -1.58 0.00 0.00 42.46 37.30 1tof s ILE 58 CO 0.01 0.15 0.23 -0.36 -1.23 0.00 0.00 174.94 173.73 1tof s PHE 59 N 1.73 3.34 -0.74 3.97 0.40 0.24 -0.53 117.98 126.39 1tof s PHE 59 Ca 0.06 -1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 54.77 1tof s PHE 59 Cb -0.17 -2.84 0.19 0.00 0.51 0.00 0.00 43.02 40.72 1tof s PHE 59 CO 0.10 -0.83 0.62 -0.51 0.70 0.00 0.00 175.22 175.30 1tof s LEU 60 N 1.41 5.93 -0.45 -0.37 1.43 0.19 -0.34 118.68 126.47 1tof s LEU 60 Ca 0.02 -2.87 -0.29 0.00 -1.03 0.00 0.00 54.13 49.97 1tof s LEU 60 Cb -0.22 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.01 1tof s LEU 60 CO 0.02 -0.44 1.13 -0.75 0.23 0.00 0.00 176.35 176.55 1tof s LYS 61 N -0.09 3.77 -0.16 1.70 2.20 -0.06 -0.86 119.74 126.24 1tof s LYS 61 Ca 0.18 0.65 -0.03 0.00 -0.36 0.00 0.00 55.97 56.42 1tof s LYS 61 Cb -0.15 -3.88 -0.02 0.00 -1.51 0.00 0.00 37.83 32.26 1tof s LYS 61 CO -0.06 -1.31 -0.06 0.08 -0.36 0.00 0.00 175.35 173.63 1tof s VAL 62 N 4.36 3.60 -0.56 4.02 1.01 0.22 -0.56 120.40 132.49 1tof s VAL 62 Ca 0.48 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1tof s VAL 62 Cb -0.08 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.77 1tof s VAL 62 CO 0.29 0.49 1.06 -0.62 0.00 0.00 0.00 175.10 176.32 1tof s ASP 63 N 0.52 6.41 0.38 3.32 2.15 -0.43 -1.16 116.67 127.85 1tof s ASP 63 Ca -0.05 -0.10 0.07 0.00 0.43 0.00 0.00 52.55 52.90 1tof s ASP 63 Cb -0.15 -2.49 0.75 0.00 -0.30 0.00 0.00 42.92 40.73 1tof s ASP 63 CO 0.03 -1.33 1.96 -0.37 -0.17 0.00 0.00 175.17 175.29 1tof h VAL 64 N 6.09 1.15 -0.53 1.11 -1.51 -1.01 0.57 116.25 122.12 1tof h VAL 64 Ca -0.25 -0.53 0.10 0.00 -1.23 0.00 0.00 66.70 64.79 1tof h VAL 64 Cb 1.07 0.82 -0.09 0.00 -2.13 0.00 0.00 31.29 30.96 1tof h VAL 64 CO 1.13 0.19 0.02 -0.78 -1.23 0.00 0.00 177.57 176.90 1tof h ASP 65 N 0.47 -0.18 0.08 4.19 3.58 -1.91 -2.50 116.42 120.13 1tof h ASP 65 Ca 0.11 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 1tof h ASP 65 Cb 0.17 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1tof h ASP 65 CO -0.00 -0.06 -0.04 0.00 -2.88 0.00 0.00 179.24 176.25 1tof h ALA 66 N 1.47 -0.11 -0.11 -0.78 0.00 -1.80 -3.38 119.26 114.55 1tof h ALA 66 Ca 0.27 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 54.48 1tof h ALA 66 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1tof h ALA 66 CO -0.43 -0.10 3.60 0.28 0.00 0.00 0.00 179.25 182.60 1tof n VAL 67 N -4.85 4.46 -0.24 0.00 0.31 0.16 -4.65 118.33 113.52 1tof n VAL 67 Ca -0.01 -2.89 -0.01 0.00 -0.01 0.00 0.00 64.34 61.42 1tof n VAL 67 Cb 0.04 -2.53 0.11 0.00 -0.91 0.00 0.00 33.84 30.55 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 4.97 0.92 0.14 3.52 0.00 -1.64 -1.37 119.26 125.80 1tof h ALA 68 Ca 0.84 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.79 1tof h ALA 68 Cb 0.30 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1tof h ALA 68 CO 1.74 0.03 -0.40 0.00 0.00 0.00 0.00 179.25 180.63 1tof h ALA 69 N 1.37 -0.71 -0.42 0.00 0.00 -1.88 0.12 119.26 117.73 1tof h ALA 69 Ca 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1tof h ALA 69 Cb 0.23 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1tof h ALA 69 CO -0.20 -0.96 0.10 0.28 0.00 0.00 0.00 179.25 178.46 1tof h VAL 70 N -0.65 1.23 -0.16 0.00 2.07 -1.92 -0.70 116.25 116.12 1tof h VAL 70 Ca 0.02 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1tof h VAL 70 Cb 0.66 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1tof h VAL 70 CO -0.22 0.28 -0.21 0.00 0.02 0.00 0.00 177.57 177.45 1tof h ALA 71 N 0.96 -0.14 -0.37 1.67 0.00 -0.80 0.22 119.26 120.79 1tof h ALA 71 Ca 0.13 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1tof h ALA 71 Cb 0.32 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1tof h ALA 71 CO 0.00 -0.66 -0.16 1.05 0.00 0.00 0.00 179.25 179.48 1tof h GLU 72 N -0.25 0.77 -0.90 0.00 4.11 -0.71 0.61 114.58 118.20 1tof h GLU 72 Ca 0.11 -0.33 0.07 0.00 0.07 0.00 0.00 59.36 59.28 1tof h GLU 72 Cb 0.42 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 1tof h GLU 72 CO -0.31 0.94 0.56 0.00 0.07 0.00 0.00 179.01 180.28 1tof h ALA 73 N 0.80 1.26 -0.03 1.06 0.00 -0.70 0.74 119.26 122.39 1tof h ALA 73 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1tof h ALA 73 Cb 0.70 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1tof h ALA 73 CO 0.05 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1tof n ALA 74 N -2.36 2.60 -3.50 0.00 0.00 0.73 -4.92 120.51 113.07 1tof n ALA 74 Ca 0.14 -0.22 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 1tof n ALA 74 Cb 0.21 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.42 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 0.90 -0.53 3.73 0.00 0.00 0.25 -4.95 105.19 104.59 1tof n GLY 75 Ca 0.16 0.21 -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 -3.27 4.03 0.00 -0.61 -1.09 0.14 -4.89 121.20 115.51 1tof s ILE 76 Ca 0.52 1.69 0.00 0.00 -2.23 0.00 0.00 60.65 60.63 1tof s ILE 76 Cb -0.24 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 1tof s ILE 76 CO 0.65 0.26 0.00 0.35 -1.23 0.00 0.00 174.94 174.97 1tof n THR 77 N 2.69 0.00 -1.30 2.92 -2.24 -1.26 -4.74 114.28 110.34 1tof n THR 77 Ca 0.04 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 1tof n THR 77 Cb 0.47 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.90 4.43 -1.77 6.98 0.00 -1.26 -4.94 120.51 122.04 1tof n ALA 78 Ca 0.00 -3.37 -0.35 0.00 0.00 0.00 0.00 53.44 49.71 1tof n ALA 78 Cb 0.00 -3.53 -0.00 0.00 0.00 0.00 0.00 19.45 15.92 1tof n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tof s MET 79 N 4.09 3.42 0.09 0.00 0.00 -1.26 -3.83 119.30 121.81 1tof s MET 79 Ca 0.53 1.63 -0.30 0.00 0.00 0.00 0.00 55.69 57.54 1tof s MET 79 Cb 0.14 -2.07 -0.06 0.00 0.00 0.00 0.00 34.83 32.84 1tof s MET 79 CO 0.02 -0.80 1.20 -1.25 0.00 0.00 0.00 175.02 174.20 1tof s PRO 80 N -3.20 4.45 -0.13 3.16 0.04 -1.26 -4.80 135.00 133.26 1tof s PRO 80 Ca 0.71 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1tof s PRO 80 Cb -0.24 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 1tof s PRO 80 CO 0.28 -0.21 -0.15 0.99 0.04 0.00 0.00 177.00 177.95 1tof s THR 81 N 0.78 2.82 -0.47 1.26 2.01 0.01 -0.75 115.64 121.30 1tof s THR 81 Ca 0.57 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.72 1tof s THR 81 Cb -0.30 -2.18 0.10 0.00 0.01 0.00 0.00 72.50 70.14 1tof s THR 81 CO 0.31 0.53 0.37 -0.36 -0.69 0.00 0.00 174.62 174.77 1tof s PHE 82 N 0.47 3.34 0.19 4.92 0.08 0.63 -0.47 117.98 127.14 1tof s PHE 82 Ca -0.11 -1.51 0.02 0.00 0.12 0.00 0.00 56.93 55.45 1tof s PHE 82 Cb -0.16 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 38.87 1tof s PHE 82 CO 0.05 -0.93 0.34 -1.01 -0.10 0.00 0.00 175.22 173.56 1tof s HIS 83 N 1.47 3.48 -0.29 0.36 3.76 -0.52 -2.12 115.29 121.44 1tof s HIS 83 Ca 0.04 0.16 0.01 0.00 -0.15 0.00 0.00 55.06 55.11 1tof s HIS 83 Cb -0.26 -1.70 0.09 0.00 1.11 0.00 0.00 32.58 31.81 1tof s HIS 83 CO 0.02 0.45 0.04 0.08 -0.85 0.00 0.00 174.74 174.47 1tof s VAL 84 N -1.85 1.37 -1.23 -0.90 1.01 -0.07 -0.44 120.40 118.30 1tof s VAL 84 Ca 0.36 -1.50 -0.06 0.00 0.00 0.00 0.00 61.98 60.77 1tof s VAL 84 Cb -0.11 -1.90 0.20 0.00 0.00 0.00 0.00 36.38 34.58 1tof s VAL 84 CO 0.29 -0.45 1.94 -1.22 0.00 0.00 0.00 175.10 175.66 1tof n TYR 85 N 4.67 2.68 -1.78 5.22 4.02 -0.30 -0.06 117.16 131.61 1tof n TYR 85 Ca -0.04 -2.73 -0.33 0.00 -0.01 0.00 0.00 57.90 54.79 1tof n TYR 85 Cb 0.43 -1.71 0.04 0.00 -0.02 0.00 0.00 39.34 38.09 1tof n TYR 85 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1tof s LYS 86 N -1.11 2.84 0.00 -0.72 -0.14 -1.19 -4.16 119.74 115.26 1tof s LYS 86 Ca 0.42 1.39 0.00 0.00 -1.36 0.00 0.00 55.97 56.41 1tof s LYS 86 Cb 0.12 -1.96 0.00 0.00 -1.68 0.00 0.00 37.83 34.32 1tof s LYS 86 CO -0.01 -1.22 0.00 -3.47 -0.76 0.00 0.00 175.35 169.88 1tof n ASP 87 N -2.38 0.00 0.00 2.83 2.03 0.84 -2.05 116.55 117.83 1tof n ASP 87 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1tof n ASP 87 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.00 3.47 0.27 0.00 -1.26 -3.19 105.19 104.49 1tof n GLY 88 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.01 -0.65 1.61 0.11 -0.87 -5.09 120.40 115.52 1tof s VAL 89 Ca 0.00 -0.06 -0.26 0.00 -2.93 0.00 0.00 61.98 58.73 1tof s VAL 89 Cb 0.00 -0.98 -0.11 0.00 -1.53 0.00 0.00 36.38 33.77 1tof s VAL 89 CO 0.00 -0.03 2.42 -0.75 -3.33 0.00 0.00 175.10 173.41 1tof s LYS 90 N -1.75 1.81 0.24 1.54 2.20 -1.26 -3.15 119.74 119.36 1tof s LYS 90 Ca -0.09 0.93 0.13 0.00 -0.36 0.00 0.00 55.97 56.58 1tof s LYS 90 Cb -0.01 -4.69 0.01 0.00 -1.51 0.00 0.00 37.83 31.64 1tof s LYS 90 CO 0.05 -3.93 1.41 0.00 -0.36 0.00 0.00 175.35 172.52 1tof h ALA 91 N 15.99 0.60 -2.77 3.13 0.00 -0.72 -3.47 119.26 132.02 1tof h ALA 91 Ca -0.11 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1tof h ALA 91 Cb 1.13 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.70 1tof h ALA 91 CO 1.08 0.79 -0.11 0.34 0.00 0.00 0.00 179.25 181.35 1tof s ASP 92 N -6.53 -0.14 0.26 0.00 -1.08 -1.06 -4.98 116.67 103.14 1tof s ASP 92 Ca 0.03 -0.59 0.05 0.00 -0.52 0.00 0.00 52.55 51.52 1tof s ASP 92 Cb 0.08 0.51 -0.02 0.00 -1.46 0.00 0.00 42.92 42.03 1tof s ASP 92 CO 0.76 -0.96 0.20 -0.67 0.52 0.00 0.00 175.17 175.02 1tof n ASP 93 N -0.27 -0.25 0.00 -0.34 -0.08 -1.26 -0.89 116.55 113.47 1tof n ASP 93 Ca -0.10 -2.68 0.00 0.00 -1.51 0.00 0.00 54.79 50.50 1tof n ASP 93 Cb 0.63 1.20 0.00 0.00 2.34 0.00 0.00 41.12 45.29 1tof n ASP 93 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1tof n LEU 94 N 0.00 0.00 -4.14 -2.67 7.94 -0.90 -4.88 117.00 112.35 1tof n LEU 94 Ca 0.04 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.78 1tof n LEU 94 Cb 0.46 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.30 1tof n LEU 94 CO 0.24 0.00 -0.44 0.68 -1.11 0.00 0.00 177.39 176.76 1tof s VAL 95 N -1.77 0.92 0.00 1.96 -7.23 -1.26 -0.27 120.40 112.75 1tof s VAL 95 Ca 0.00 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1tof s VAL 95 Cb 0.00 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 35.99 1tof s VAL 95 CO 0.00 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 1tof n GLY 96 N 1.28 -0.86 1.35 2.32 0.00 0.07 -4.57 105.19 104.79 1tof n GLY 96 Ca -0.21 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.82 3.02 -1.49 4.61 0.00 -1.26 -4.74 120.51 119.83 1tof n ALA 97 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1tof n ALA 97 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 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 1.19 4.84 -0.30 0.00 7.64 -1.26 -4.73 113.62 120.99 1tof n SER 98 Ca 0.00 -2.72 0.11 0.00 1.01 0.00 0.00 58.87 57.27 1tof n SER 98 Cb 0.40 -1.52 0.28 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 6.07 0.46 -0.23 1.43 4.20 -1.98 0.27 115.11 125.33 1tof h GLN 99 Ca 0.61 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.33 1tof h GLN 99 Cb 0.53 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 1tof h GLN 99 CO 1.85 0.31 0.00 0.38 -0.67 0.00 0.00 178.83 180.70 1tof h ASP 100 N 0.48 -0.08 0.42 1.46 2.03 -2.00 -0.05 116.42 118.67 1tof h ASP 100 Ca 0.53 0.05 -0.11 0.00 -0.73 0.00 0.00 57.03 56.76 1tof h ASP 100 Cb 0.92 0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.49 1tof h ASP 100 CO -0.47 -0.01 -0.50 0.50 -1.03 0.00 0.00 179.24 177.72 1tof h LYS 101 N 0.08 0.10 0.29 4.15 3.64 -1.32 -0.51 116.57 123.00 1tof h LYS 101 Ca 0.11 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1tof h LYS 101 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1tof h LYS 101 CO -0.18 0.59 -0.21 1.25 -2.27 0.00 0.00 179.45 178.63 1tof h LEU 102 N 0.08 -0.54 -0.39 5.20 6.46 0.06 0.16 115.31 126.35 1tof h LEU 102 Ca 0.00 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1tof h LEU 102 Cb 0.92 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.98 1tof h LEU 102 CO 0.07 -0.33 0.15 0.11 -0.62 0.00 0.00 178.44 177.82 1tof h LYS 103 N -0.50 0.30 -0.32 1.25 1.57 -0.75 -1.23 116.57 116.89 1tof h LYS 103 Ca -0.02 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1tof h LYS 103 Cb 0.43 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1tof h LYS 103 CO 0.00 0.20 0.02 0.00 -0.57 0.00 0.00 179.45 179.10 1tof h ALA 104 N 1.25 0.30 0.17 3.86 0.00 -0.75 0.11 119.26 124.20 1tof h ALA 104 Ca 0.18 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1tof h ALA 104 Cb 0.15 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1tof h ALA 104 CO -0.18 -0.39 -0.30 -0.07 0.00 0.00 0.00 179.25 178.31 1tof h LEU 105 N 0.11 -0.86 0.07 0.00 3.38 -0.15 0.91 115.31 118.77 1tof h LEU 105 Ca 0.16 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1tof h LEU 105 Cb 0.20 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1tof h LEU 105 CO -0.25 -0.40 -0.25 0.58 0.09 0.00 0.00 178.44 178.21 1tof h VAL 106 N -0.56 0.45 0.04 1.22 2.07 -0.87 0.24 116.25 118.84 1tof h VAL 106 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1tof h VAL 106 Cb 0.56 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1tof h VAL 106 CO -0.14 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.11 1tof h ALA 107 N 0.36 -0.51 0.17 1.67 0.00 -0.81 0.24 119.26 120.38 1tof h ALA 107 Ca 0.04 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1tof h ALA 107 Cb 0.47 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1tof h ALA 107 CO -0.17 -0.86 -0.47 -0.22 0.00 0.00 0.00 179.25 177.54 1tof h LYS 108 N -0.51 -0.71 0.00 0.00 3.64 -0.56 -0.43 116.57 118.00 1tof h LYS 108 Ca 0.05 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1tof h LYS 108 Cb 0.57 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1tof h LYS 108 CO -0.25 -0.47 -0.40 0.45 -2.27 0.00 0.00 179.45 176.51 1tof h HIS 109 N -0.74 0.00 0.65 1.91 3.86 -0.85 -3.10 115.15 116.88 1tof h HIS 109 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1tof h HIS 109 Cb 0.74 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.21 1tof h HIS 109 CO -0.38 0.40 -0.31 0.00 0.86 0.00 0.00 177.93 178.50 1tof h ALA 110 N 1.60 -0.87 0.00 2.45 0.00 -0.22 -3.42 119.26 118.81 1tof h ALA 110 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1tof h ALA 110 Cb 0.92 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1tof h ALA 110 CO 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 179.25 178.45 1tof n ALA 111 N -2.65 0.00 -1.98 0.00 0.00 -0.20 -4.94 120.51 110.74 1tof n ALA 111 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1tof n ALA 111 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1tof n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50