#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfy n LEU 2 N 0.00 -2.70 -4.75 6.55 4.77 -1.26 -5.02 117.00 114.59 1lfy n LEU 2 Ca 0.00 0.24 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 1lfy n LEU 2 Cb 0.00 -1.31 0.04 0.00 -2.33 0.00 0.00 43.42 39.82 1lfy n LEU 2 CO 0.00 -0.47 0.83 -0.94 -1.33 0.00 0.00 177.39 175.48 1lfy s SER 3 N -0.16 5.09 0.38 -1.43 1.04 -1.26 -4.74 113.70 112.61 1lfy s SER 3 Ca -0.02 2.36 0.17 0.00 0.48 0.00 0.00 55.95 58.94 1lfy s SER 3 Cb 0.00 -2.59 0.94 0.00 0.10 0.00 0.00 66.02 64.46 1lfy s SER 3 CO 0.10 -1.66 1.46 1.55 0.98 0.00 0.00 173.24 175.67 1lfy h PRO 4 N 0.71 0.00 -0.00 4.02 0.13 -2.00 0.50 132.00 135.36 1lfy h PRO 4 Ca -0.50 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.43 1lfy h PRO 4 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1lfy h PRO 4 CO 0.54 0.00 -0.87 0.00 -0.23 0.00 0.00 178.00 177.45 1lfy h ALA 5 N 1.34 0.53 0.04 -0.56 0.00 -2.00 -3.02 119.26 115.58 1lfy h ALA 5 Ca 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 1lfy h ALA 5 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1lfy h ALA 5 CO 0.00 0.90 -0.02 -0.44 0.00 0.00 0.00 179.25 179.69 1lfy h ASP 6 N 0.12 -0.05 -0.04 0.00 3.45 -0.34 -2.88 116.42 116.68 1lfy h ASP 6 Ca -0.04 -0.64 0.01 0.00 0.43 0.00 0.00 57.03 56.79 1lfy h ASP 6 Cb 1.49 0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 40.27 1lfy h ASP 6 CO 0.13 0.69 0.07 0.07 -1.57 0.00 0.00 179.24 178.63 1lfy h LYS 7 N -0.85 0.00 0.09 3.56 2.10 -1.57 0.16 116.57 120.06 1lfy h LYS 7 Ca -0.01 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.40 1lfy h LYS 7 Cb 0.68 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.04 1lfy h LYS 7 CO 0.01 0.00 -0.99 1.15 -2.00 0.00 0.00 179.45 177.61 1lfy h THR 8 N 0.00 1.36 0.01 0.07 2.02 -1.55 -1.33 112.91 113.49 1lfy h THR 8 Ca 0.02 -2.36 -0.00 0.00 0.77 0.00 0.00 66.41 64.84 1lfy h THR 8 Cb 0.17 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1lfy h THR 8 CO -0.00 0.70 -0.01 0.78 0.37 0.00 0.00 175.52 177.37 1lfy h ASN 9 N 0.07 -0.02 -0.81 4.18 -0.26 -0.76 0.44 115.58 118.43 1lfy h ASN 9 Ca -0.15 0.00 0.10 0.00 -0.56 0.00 0.00 56.30 55.69 1lfy h ASN 9 Cb 1.70 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 38.85 1lfy h ASN 9 CO 0.19 -0.01 -0.39 0.52 -1.06 0.00 0.00 177.43 176.68 1lfy n VAL 10 N -2.05 -0.49 0.25 2.81 0.31 0.37 0.21 118.33 119.75 1lfy n VAL 10 Ca -0.00 1.92 0.11 0.00 -0.01 0.00 0.00 64.34 66.36 1lfy n VAL 10 Cb 0.01 -2.46 0.71 0.00 -0.91 0.00 0.00 33.84 31.19 1lfy n VAL 10 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1lfy h LYS 11 N 0.00 0.00 0.06 5.55 1.57 -1.04 0.71 116.57 123.43 1lfy h LYS 11 Ca 0.21 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.68 1lfy h LYS 11 Cb 0.41 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1lfy h LYS 11 CO -0.78 0.00 -1.64 0.00 -0.57 0.00 0.00 179.45 176.46 1lfy h ALA 12 N 1.98 0.50 0.00 3.86 0.00 0.72 -3.06 119.26 123.27 1lfy h ALA 12 Ca 0.02 -1.28 -0.12 0.00 0.00 0.00 0.00 54.91 53.52 1lfy h ALA 12 Cb 0.08 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1lfy h ALA 12 CO -0.00 1.36 -0.59 0.00 0.00 0.00 0.00 179.25 180.02 1lfy h ALA 13 N 0.65 0.82 0.14 0.00 0.00 0.92 -3.21 119.26 118.57 1lfy h ALA 13 Ca -0.27 -0.53 -0.30 0.00 0.00 0.00 0.00 54.91 53.80 1lfy h ALA 13 Cb 2.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1lfy h ALA 13 CO 0.11 0.73 -1.45 2.35 0.00 0.00 0.00 179.25 181.00 1lfy h TRP 14 N 0.00 0.55 -0.80 0.00 2.91 -0.99 -3.23 115.95 114.39 1lfy h TRP 14 Ca -0.01 -0.40 0.02 0.00 1.13 0.00 0.00 58.89 59.63 1lfy h TRP 14 Cb 1.20 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.79 1lfy h TRP 14 CO 0.00 1.39 0.53 0.78 -1.03 0.00 0.00 178.44 180.11 1lfy h GLY 15 N 1.40 1.13 2.00 2.65 0.00 -1.58 0.78 103.07 109.44 1lfy h GLY 15 Ca -0.22 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1lfy h GLY 15 CO 0.19 0.39 -0.09 0.50 0.00 0.00 0.00 176.54 177.53 1lfy h LYS 16 N 1.05 0.00 -0.15 4.80 1.79 -1.61 -1.71 116.57 120.73 1lfy h LYS 16 Ca 0.30 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.68 1lfy h LYS 16 Cb -0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1lfy h LYS 16 CO -0.07 0.09 -0.33 0.28 -1.08 0.00 0.00 179.45 178.34 1lfy h VAL 17 N 0.00 1.28 0.00 0.50 2.07 -0.86 -3.48 116.25 115.76 1lfy h VAL 17 Ca -0.00 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1lfy h VAL 17 Cb 0.24 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1lfy h VAL 17 CO 0.01 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.62 1lfy n GLY 18 N -0.33 1.19 0.25 2.17 0.00 -0.65 -2.05 105.19 105.76 1lfy n GLY 18 Ca -0.01 -0.42 0.16 0.00 0.00 0.00 0.00 46.02 45.75 1lfy n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lfy h ALA 19 N -0.12 1.02 0.00 4.61 0.00 -1.91 0.67 119.26 123.54 1lfy h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lfy h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1lfy h ALA 19 CO 0.00 -0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.95 1lfy n HIS 20 N -2.63 0.39 -0.36 0.00 -0.00 -0.87 -3.75 115.22 108.00 1lfy n HIS 20 Ca -0.02 0.14 -0.06 0.00 -0.00 0.00 0.00 57.72 57.78 1lfy n HIS 20 Cb 0.08 -0.73 -0.03 0.00 -0.00 0.00 0.00 29.99 29.31 1lfy n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1lfy h ALA 21 N 2.48 -0.21 0.00 -1.41 0.00 -0.76 0.28 119.26 119.64 1lfy h ALA 21 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1lfy h ALA 21 Cb 0.37 1.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1lfy h ALA 21 CO 0.00 -0.80 -0.08 0.78 0.00 0.00 0.00 179.25 179.15 1lfy h GLY 22 N -0.05 0.00 1.37 0.00 0.00 -1.83 -1.67 103.07 100.90 1lfy h GLY 22 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.29 1lfy h GLY 22 CO -0.91 0.00 -1.20 0.83 0.00 0.00 0.00 176.54 175.25 1lfy h GLU 23 N 0.00 0.52 0.00 4.80 5.08 -0.76 -3.03 114.58 121.19 1lfy h GLU 23 Ca -0.00 -0.70 -0.09 0.00 -1.00 0.00 0.00 59.36 57.57 1lfy h GLU 23 Cb 0.28 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1lfy h GLU 23 CO 0.01 1.30 -0.43 1.88 -1.00 0.00 0.00 179.01 180.77 1lfy h TYR 24 N 0.23 0.00 0.00 4.33 0.99 -0.75 -1.31 116.97 120.45 1lfy h TYR 24 Ca -0.16 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.49 1lfy h TYR 24 Cb 1.88 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 39.60 1lfy h TYR 24 CO 0.10 0.43 -0.36 0.78 -0.00 0.00 0.00 178.16 179.11 1lfy h GLY 25 N 1.92 0.00 1.16 3.88 0.00 -1.27 -1.01 103.07 107.75 1lfy h GLY 25 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1lfy h GLY 25 CO 0.06 0.00 -1.21 0.00 0.00 0.00 0.00 176.54 175.39 1lfy h ALA 26 N 1.64 0.64 0.04 3.60 0.00 -1.32 -3.27 119.26 120.59 1lfy h ALA 26 Ca -0.00 -0.68 -0.26 0.00 0.00 0.00 0.00 54.91 53.97 1lfy h ALA 26 Cb 0.81 0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.80 1lfy h ALA 26 CO 0.05 0.76 -1.08 1.49 0.00 0.00 0.00 179.25 180.46 1lfy h GLU 27 N 0.00 0.55 0.18 0.00 4.81 -0.95 -2.84 114.58 116.34 1lfy h GLU 27 Ca -0.12 -0.65 -0.00 0.00 -0.13 0.00 0.00 59.36 58.46 1lfy h GLU 27 Cb 1.48 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 1lfy h GLU 27 CO 0.04 1.26 -0.15 0.00 -0.73 0.00 0.00 179.01 179.44 1lfy h ALA 28 N 0.50 -0.32 -0.07 2.92 0.00 -1.31 -1.76 119.26 119.22 1lfy h ALA 28 Ca -0.13 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1lfy h ALA 28 Cb 1.74 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.67 1lfy h ALA 28 CO 0.20 -0.70 -0.46 -0.07 0.00 0.00 0.00 179.25 178.22 1lfy h LEU 29 N -0.34 -1.44 -1.17 0.00 3.38 -1.62 0.10 115.31 114.22 1lfy h LEU 29 Ca -0.01 0.18 0.23 0.00 0.09 0.00 0.00 57.88 58.37 1lfy h LEU 29 Cb 0.31 0.57 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 1lfy h LEU 29 CO -0.01 -0.47 0.63 -0.08 0.09 0.00 0.00 178.44 178.59 1lfy h GLU 30 N -0.57 0.54 -0.30 1.13 4.81 -1.31 0.13 114.58 119.01 1lfy h GLU 30 Ca 0.05 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1lfy h GLU 30 Cb 0.67 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1lfy h GLU 30 CO -0.38 0.36 0.06 0.00 -0.73 0.00 0.00 179.01 178.33 1lfy h ARG 31 N 0.56 0.49 -0.36 1.92 3.08 0.02 -1.63 114.38 118.46 1lfy h ARG 31 Ca 0.60 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.52 1lfy h ARG 31 Cb 1.22 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1lfy h ARG 31 CO -0.36 0.57 0.20 1.98 -1.07 0.00 0.00 179.97 181.29 1lfy h MET 32 N 0.33 0.50 -0.78 0.04 4.05 0.11 0.05 114.93 119.23 1lfy h MET 32 Ca 0.09 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.41 1lfy h MET 32 Cb 0.31 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 1lfy h MET 32 CO 0.00 0.40 0.28 0.74 0.23 0.00 0.00 176.91 178.56 1lfy h PHE 33 N 0.46 1.21 -0.02 1.39 0.04 -0.90 0.53 116.94 119.65 1lfy h PHE 33 Ca 0.13 -0.11 -0.24 0.00 2.80 0.00 0.00 57.97 60.55 1lfy h PHE 33 Cb 0.04 -0.36 0.02 0.00 2.20 0.00 0.00 35.95 37.85 1lfy h PHE 33 CO -0.03 0.93 -0.93 -0.07 -0.60 0.00 0.00 178.31 177.61 1lfy h LEU 34 N 1.14 0.85 0.28 1.54 4.07 -1.17 -3.28 115.31 118.74 1lfy h LEU 34 Ca 0.25 -0.73 -0.01 0.00 0.08 0.00 0.00 57.88 57.47 1lfy h LEU 34 Cb 0.26 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1lfy h LEU 34 CO -0.02 1.46 -0.13 0.28 -1.08 0.00 0.00 178.44 178.95 1lfy h SER 35 N 0.32 -0.32 -3.98 -0.43 0.02 -0.91 -3.40 113.55 104.85 1lfy h SER 35 Ca -0.11 -0.13 -0.73 0.00 -0.84 0.00 0.00 61.79 59.98 1lfy h SER 35 Cb 1.59 0.08 -0.32 0.00 0.14 0.00 0.00 62.40 63.89 1lfy h SER 35 CO 0.18 0.17 -0.18 -0.36 -1.14 0.00 0.00 176.83 175.50 1lfy s PHE 36 N -3.21 3.58 0.23 3.45 0.40 0.18 -4.94 117.98 117.67 1lfy s PHE 36 Ca -0.09 -2.54 -0.06 0.00 -0.60 0.00 0.00 56.93 53.63 1lfy s PHE 36 Cb 0.01 -3.40 0.38 0.00 0.51 0.00 0.00 43.02 40.52 1lfy s PHE 36 CO 0.31 -0.87 1.74 -1.35 0.70 0.00 0.00 175.22 175.75 1lfy h PRO 37 N 7.11 0.44 0.00 0.24 0.11 -1.74 -2.49 132.00 135.67 1lfy h PRO 37 Ca 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1lfy h PRO 37 Cb 0.96 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1lfy h PRO 37 CO 0.74 0.29 0.10 -2.37 -0.21 0.00 0.00 178.00 176.56 1lfy n THR 38 N -4.98 0.67 0.42 -1.15 5.66 -1.26 0.15 114.28 113.79 1lfy n THR 38 Ca 0.12 0.27 0.11 0.00 -3.05 0.00 0.00 64.05 61.51 1lfy n THR 38 Cb 0.35 -1.27 0.04 0.00 -1.55 0.00 0.00 70.33 67.90 1lfy n THR 38 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1lfy n THR 39 N -1.08 0.31 0.32 1.09 -2.24 -0.94 -4.03 114.28 107.72 1lfy n THR 39 Ca 0.00 -0.34 0.15 0.00 -2.27 0.00 0.00 64.05 61.59 1lfy n THR 39 Cb 0.10 -0.02 0.66 0.00 -2.10 0.00 0.00 70.33 68.98 1lfy n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1lfy h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -0.49 -2.94 116.57 113.92 1lfy h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lfy h LYS 40 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1lfy h LYS 40 CO 0.00 0.00 0.00 -2.37 -0.57 0.00 0.00 179.45 176.51 1lfy n THR 41 N -2.65 1.19 0.03 -0.16 5.66 -1.26 -1.64 114.28 115.44 1lfy n THR 41 Ca 0.01 0.31 0.01 0.00 -3.05 0.00 0.00 64.05 61.32 1lfy n THR 41 Cb 0.22 -1.13 -0.09 0.00 -1.55 0.00 0.00 70.33 67.78 1lfy n THR 41 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1lfy n TYR 42 N -1.58 0.85 -3.26 1.09 4.01 -1.11 -4.51 117.16 112.65 1lfy n TYR 42 Ca 0.03 0.28 -0.31 0.00 -0.16 0.00 0.00 57.90 57.73 1lfy n TYR 42 Cb 0.14 -1.04 -0.05 0.00 -0.31 0.00 0.00 39.34 38.08 1lfy n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1lfy n PHE 43 N -2.82 3.29 0.13 -0.72 3.01 -0.65 -4.81 117.46 114.90 1lfy n PHE 43 Ca -0.10 -3.70 -0.21 0.00 1.01 0.00 0.00 57.45 54.45 1lfy n PHE 43 Cb 0.82 -0.75 -0.15 0.00 -0.01 0.00 0.00 39.48 39.39 1lfy n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1lfy h PRO 44 N 4.42 0.43 0.00 -1.08 0.11 -1.79 -3.20 132.00 130.89 1lfy h PRO 44 Ca 0.20 -0.74 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1lfy h PRO 44 Cb 0.63 0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1lfy h PRO 44 CO 0.98 1.35 0.00 -2.39 -0.21 0.00 0.00 178.00 177.73 1lfy n HIS 45 N -3.64 0.00 -3.73 0.65 1.44 -1.26 -4.74 115.22 103.93 1lfy n HIS 45 Ca -0.14 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.22 1lfy n HIS 45 Cb 1.07 -0.29 -0.05 0.00 0.12 0.00 0.00 29.99 30.84 1lfy n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1lfy s PHE 46 N -2.57 3.60 -1.18 -1.40 2.99 -1.21 -5.02 117.98 113.20 1lfy s PHE 46 Ca 0.18 0.64 -0.09 0.00 0.00 0.00 0.00 56.93 57.66 1lfy s PHE 46 Cb 0.13 -2.03 0.23 0.00 0.00 0.00 0.00 43.02 41.35 1lfy s PHE 46 CO 0.30 0.63 1.49 -3.47 -0.00 0.00 0.00 175.22 174.17 1lfy n ASP 47 N 1.35 5.55 -1.15 1.36 4.64 -1.26 -4.89 116.55 122.15 1lfy n ASP 47 Ca -0.13 -3.13 0.00 0.00 -1.38 0.00 0.00 54.79 50.15 1lfy n ASP 47 Cb 0.53 -1.43 0.00 0.00 -1.04 0.00 0.00 41.12 39.18 1lfy n ASP 47 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1lfy n LEU 48 N 3.46 0.00 -4.92 -2.67 4.32 -1.26 -4.46 117.00 111.47 1lfy n LEU 48 Ca 0.32 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 56.04 1lfy n LEU 48 Cb 0.38 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.22 1lfy n LEU 48 CO 0.66 0.00 0.57 -0.94 -1.22 0.00 0.00 177.39 176.47 1lfy s SER 49 N 1.04 5.43 0.26 -1.43 1.04 -1.26 -4.99 113.70 113.79 1lfy s SER 49 Ca 0.00 0.71 -0.03 0.00 0.48 0.00 0.00 55.95 57.11 1lfy s SER 49 Cb 0.00 -1.62 0.55 0.00 0.10 0.00 0.00 66.02 65.05 1lfy s SER 49 CO 0.00 -1.20 1.65 -0.74 0.98 0.00 0.00 173.24 173.93 1lfy h HIS 50 N -0.31 0.15 -0.01 5.02 2.76 -2.03 -2.56 115.15 118.17 1lfy h HIS 50 Ca -0.45 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1lfy h HIS 50 Cb 1.27 0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.29 1lfy h HIS 50 CO 0.45 -0.20 -0.15 0.41 -1.30 0.00 0.00 177.93 177.13 1lfy n GLY 51 N -1.40 -0.05 1.96 5.26 0.00 -1.26 -4.99 105.19 104.71 1lfy n GLY 51 Ca 0.17 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 1lfy n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lfy n SER 52 N 0.04 0.39 0.28 1.61 2.88 -0.97 -4.83 113.62 113.02 1lfy n SER 52 Ca 0.15 0.34 0.14 0.00 -1.33 0.00 0.00 58.87 58.16 1lfy n SER 52 Cb 0.41 -0.54 0.81 0.00 -0.75 0.00 0.00 64.21 64.14 1lfy n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lfy h ALA 53 N 5.72 1.37 0.07 -1.46 0.00 -1.92 -0.02 119.26 123.01 1lfy h ALA 53 Ca -0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1lfy h ALA 53 Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1lfy h ALA 53 CO 0.68 0.09 -0.03 1.96 0.00 0.00 0.00 179.25 181.95 1lfy h GLN 54 N 0.00 -0.09 0.00 0.00 4.20 -1.91 0.31 115.11 117.63 1lfy h GLN 54 Ca -0.00 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1lfy h GLN 54 Cb 0.20 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1lfy h GLN 54 CO 0.01 0.29 -0.13 0.28 -0.67 0.00 0.00 178.83 178.60 1lfy h VAL 55 N -0.47 0.86 -0.02 -0.54 2.07 -1.66 0.10 116.25 116.58 1lfy h VAL 55 Ca -0.01 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1lfy h VAL 55 Cb 0.41 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1lfy h VAL 55 CO 0.01 0.13 -0.02 0.11 0.02 0.00 0.00 177.57 177.82 1lfy h LYS 56 N 0.00 0.06 -0.74 1.57 6.56 -0.70 -2.41 116.57 120.91 1lfy h LYS 56 Ca -0.00 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.51 1lfy h LYS 56 Cb 0.27 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.90 1lfy h LYS 56 CO 0.02 0.53 0.29 0.78 -2.06 0.00 0.00 179.45 179.01 1lfy h GLY 57 N -0.42 1.19 2.00 3.86 0.00 0.77 -2.08 103.07 108.40 1lfy h GLY 57 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1lfy h GLY 57 CO 0.01 0.61 -0.01 0.84 0.00 0.00 0.00 176.54 177.99 1lfy h HIS 58 N 1.08 0.00 -0.19 5.60 -0.00 -1.12 -2.05 115.15 118.47 1lfy h HIS 58 Ca 0.25 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.47 1lfy h HIS 58 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1lfy h HIS 58 CO 0.02 0.01 -0.50 0.78 -0.00 0.00 0.00 177.93 178.24 1lfy h GLY 59 N 3.39 0.56 0.79 5.26 0.00 -0.85 0.14 103.07 112.36 1lfy h GLY 59 Ca -0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.63 1lfy h GLY 59 CO 0.00 0.55 -0.24 0.50 0.00 0.00 0.00 176.54 177.35 1lfy h LYS 60 N 0.40 0.43 0.06 4.80 1.57 -1.14 -1.48 116.57 121.21 1lfy h LYS 60 Ca 0.02 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1lfy h LYS 60 Cb 1.01 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1lfy h LYS 60 CO 0.09 0.85 -0.12 0.87 -0.57 0.00 0.00 179.45 180.58 1lfy h LYS 61 N 0.06 -0.22 -0.89 3.15 1.57 -1.18 -0.47 116.57 118.59 1lfy h LYS 61 Ca 0.01 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1lfy h LYS 61 Cb 0.81 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 1lfy h LYS 61 CO 0.05 -0.15 0.49 0.28 -0.57 0.00 0.00 179.45 179.56 1lfy h VAL 62 N -0.23 1.26 0.40 0.50 2.07 -0.72 -2.07 116.25 117.45 1lfy h VAL 62 Ca 0.02 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1lfy h VAL 62 Cb 0.25 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1lfy h VAL 62 CO -0.08 0.29 -0.50 0.00 0.02 0.00 0.00 177.57 177.30 1lfy h ALA 63 N 1.30 -1.06 -0.72 1.67 0.00 -0.64 -2.30 119.26 117.50 1lfy h ALA 63 Ca 0.31 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.21 1lfy h ALA 63 Cb 0.02 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1lfy h ALA 63 CO -0.05 -1.15 0.48 -0.44 0.00 0.00 0.00 179.25 178.10 1lfy h ASP 64 N -0.92 0.32 -0.50 0.00 3.32 -0.89 -1.33 116.42 116.42 1lfy h ASP 64 Ca -0.04 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1lfy h ASP 64 Cb 0.83 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1lfy h ASP 64 CO -0.12 0.17 0.20 0.00 -1.72 0.00 0.00 179.24 177.77 1lfy h ALA 65 N 1.66 1.32 0.07 3.45 0.00 -0.82 0.57 119.26 125.51 1lfy h ALA 65 Ca 0.35 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1lfy h ALA 65 Cb 0.88 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.46 1lfy h ALA 65 CO -0.10 0.50 -0.80 -0.07 0.00 0.00 0.00 179.25 178.79 1lfy h LEU 66 N 0.79 0.58 -0.43 0.00 3.38 -0.97 -2.95 115.31 115.70 1lfy h LEU 66 Ca 0.19 -0.84 0.08 0.00 0.09 0.00 0.00 57.88 57.40 1lfy h LEU 66 Cb 0.19 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1lfy h LEU 66 CO -0.01 1.36 0.00 0.74 0.09 0.00 0.00 178.44 180.61 1lfy h THR 67 N -0.12 0.67 -1.00 0.22 2.02 -1.02 0.51 112.91 114.19 1lfy h THR 67 Ca -0.12 -0.04 0.17 0.00 0.77 0.00 0.00 66.41 67.19 1lfy h THR 67 Cb 1.54 0.55 -0.10 0.00 -1.74 0.00 0.00 68.15 68.40 1lfy h THR 67 CO 0.15 0.02 0.61 -1.13 0.37 0.00 0.00 175.52 175.55 1lfy h ASN 68 N 0.11 0.83 0.02 4.18 -0.73 -0.93 0.06 115.58 119.12 1lfy h ASN 68 Ca 0.21 0.08 -0.16 0.00 1.87 0.00 0.00 56.30 58.31 1lfy h ASN 68 Cb 0.31 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1lfy h ASN 68 CO -0.36 0.35 -0.53 0.00 -0.37 0.00 0.00 177.43 176.52 1lfy h ALA 69 N 1.61 0.71 0.09 1.57 0.00 -0.02 -3.21 119.26 120.01 1lfy h ALA 69 Ca 0.55 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1lfy h ALA 69 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1lfy h ALA 69 CO -0.34 0.68 -0.04 0.28 0.00 0.00 0.00 179.25 179.83 1lfy h VAL 70 N 0.43 1.14 -0.22 0.00 2.07 0.11 -1.71 116.25 118.06 1lfy h VAL 70 Ca 0.01 -0.91 -0.28 0.00 0.82 0.00 0.00 66.70 66.34 1lfy h VAL 70 Cb 1.07 1.71 -0.09 0.00 -1.52 0.00 0.00 31.29 32.47 1lfy h VAL 70 CO 0.10 0.22 0.02 0.00 0.02 0.00 0.00 177.57 177.93 1lfy n ALA 71 N -2.37 6.46 0.00 1.67 0.00 -0.13 -2.70 120.51 123.44 1lfy n ALA 71 Ca -0.09 -2.18 0.00 0.00 0.00 0.00 0.00 53.44 51.17 1lfy n ALA 71 Cb 0.23 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1lfy n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfy n HIS 72 N 2.23 0.00 0.01 0.00 -0.00 -1.20 -4.92 115.22 111.35 1lfy n HIS 72 Ca 0.46 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 58.06 1lfy n HIS 72 Cb 0.80 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.71 1lfy n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1lfy h VAL 73 N 0.00 1.21 0.00 1.59 3.04 -1.09 -2.88 116.25 118.12 1lfy h VAL 73 Ca 0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 1lfy h VAL 73 Cb 0.00 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1lfy h VAL 73 CO 0.00 0.16 0.00 0.47 -1.01 0.00 0.00 177.57 177.19 1lfy n ASP 74 N -4.96 0.23 -2.65 3.17 10.43 -1.26 -2.50 116.55 119.01 1lfy n ASP 74 Ca -0.08 -0.31 -0.03 0.00 2.57 0.00 0.00 54.79 56.94 1lfy n ASP 74 Cb 0.15 -0.08 0.02 0.00 1.84 0.00 0.00 41.12 43.06 1lfy n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1lfy n ASP 75 N 0.54 -1.07 -0.15 -2.24 4.64 -1.10 -5.05 116.55 112.11 1lfy n ASP 75 Ca 0.00 -1.60 -0.10 0.00 -1.38 0.00 0.00 54.79 51.71 1lfy n ASP 75 Cb 0.05 1.02 -0.01 0.00 -1.04 0.00 0.00 41.12 41.15 1lfy n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1lfy h MET 76 N 1.43 0.74 -0.76 -0.67 2.86 -1.29 -3.16 114.93 114.08 1lfy h MET 76 Ca -0.52 -0.21 0.16 0.00 -2.06 0.00 0.00 59.70 57.07 1lfy h MET 76 Cb 1.23 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.71 1lfy h MET 76 CO -0.15 0.78 0.27 -1.00 1.06 0.00 0.00 176.91 177.87 1lfy h PRO 77 N 0.59 0.36 -0.35 -0.22 0.13 -1.90 -1.35 132.00 129.26 1lfy h PRO 77 Ca 0.13 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.12 1lfy h PRO 77 Cb 0.42 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1lfy h PRO 77 CO 0.01 0.24 -0.24 -0.97 -0.23 0.00 0.00 178.00 176.82 1lfy h ASN 78 N 0.37 0.82 0.72 1.44 -1.24 -1.96 -2.09 115.58 113.64 1lfy h ASN 78 Ca 0.43 -0.43 -0.04 0.00 0.71 0.00 0.00 56.30 56.98 1lfy h ASN 78 Cb 0.71 -0.23 0.01 0.00 0.73 0.00 0.00 38.32 39.54 1lfy h ASN 78 CO -0.46 1.08 -0.35 0.00 -1.29 0.00 0.00 177.43 176.41 1lfy h ALA 79 N 0.77 -0.96 -0.10 1.57 0.00 -1.35 -3.05 119.26 116.12 1lfy h ALA 79 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1lfy h ALA 79 Cb 0.80 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1lfy h ALA 79 CO 0.06 -0.98 0.00 1.28 0.00 0.00 0.00 179.25 179.61 1lfy n LEU 80 N -5.46 0.75 -0.38 0.00 4.77 -0.57 -4.31 117.00 111.78 1lfy n LEU 80 Ca -0.13 -0.34 -0.03 0.00 -0.03 0.00 0.00 56.01 55.48 1lfy n LEU 80 Cb 0.40 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1lfy n LEU 80 CO 0.35 0.17 0.55 -1.54 -1.33 0.00 0.00 177.39 175.60 1lfy n SER 81 N -0.21 -0.71 0.02 -1.43 3.41 -0.79 -1.34 113.62 112.57 1lfy n SER 81 Ca 0.11 1.72 -0.07 0.00 -0.26 0.00 0.00 58.87 60.36 1lfy n SER 81 Cb 0.15 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 1lfy n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lfy h ALA 82 N 1.19 -0.68 -1.22 7.33 0.00 -1.82 -2.02 119.26 122.04 1lfy h ALA 82 Ca 0.31 -0.03 0.38 0.00 0.00 0.00 0.00 54.91 55.56 1lfy h ALA 82 Cb 0.55 0.72 -0.12 0.00 0.00 0.00 0.00 17.79 18.94 1lfy h ALA 82 CO -0.96 -0.75 0.78 -0.07 0.00 0.00 0.00 179.25 178.25 1lfy h LEU 83 N -0.28 0.31 0.51 0.00 3.38 -1.55 0.06 115.31 117.74 1lfy h LEU 83 Ca 0.01 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1lfy h LEU 83 Cb 0.31 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1lfy h LEU 83 CO -0.16 -0.10 -0.44 0.28 0.09 0.00 0.00 178.44 178.10 1lfy h SER 84 N 0.18 -1.18 -0.12 -0.43 0.02 -0.44 -0.12 113.55 111.45 1lfy h SER 84 Ca 0.75 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.83 1lfy h SER 84 Cb 2.22 0.38 -0.07 0.00 0.14 0.00 0.00 62.40 65.07 1lfy h SER 84 CO -0.39 -0.62 -0.44 0.44 -1.14 0.00 0.00 176.83 174.68 1lfy h ASP 85 N -0.94 -1.39 -1.09 3.07 3.32 -0.91 1.00 116.42 119.48 1lfy h ASP 85 Ca -0.06 0.18 0.30 0.00 0.02 0.00 0.00 57.03 57.47 1lfy h ASP 85 Cb 0.81 0.56 -0.09 0.00 0.22 0.00 0.00 39.33 40.83 1lfy h ASP 85 CO -0.03 -0.44 0.72 0.25 -1.72 0.00 0.00 179.24 178.03 1lfy h LEU 86 N -0.51 0.32 0.02 1.55 7.12 -1.16 1.66 115.31 124.32 1lfy h LEU 86 Ca 0.07 0.07 -0.39 0.00 0.13 0.00 0.00 57.88 57.76 1lfy h LEU 86 Cb 0.64 0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.73 1lfy h LEU 86 CO -0.40 0.04 -2.34 1.41 -0.13 0.00 0.00 178.44 177.02 1lfy n HIS 87 N -4.53 0.30 0.04 1.25 8.25 -0.08 -2.09 115.22 118.36 1lfy n HIS 87 Ca 0.26 0.07 -0.18 0.00 -0.26 0.00 0.00 57.72 57.62 1lfy n HIS 87 Cb 1.01 -1.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 1lfy n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lfy h ALA 88 N -0.16 0.23 -0.07 -1.41 0.00 0.14 0.14 119.26 118.12 1lfy h ALA 88 Ca -0.56 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.67 1lfy h ALA 88 Cb 1.86 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1lfy h ALA 88 CO -0.11 0.72 0.00 0.72 0.00 0.00 0.00 179.25 180.58 1lfy n HIS 89 N -3.84 0.00 0.19 0.00 8.25 0.56 -3.93 115.22 116.45 1lfy n HIS 89 Ca -0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.22 1lfy n HIS 89 Cb 0.85 -0.15 -0.08 0.00 1.12 0.00 0.00 29.99 31.73 1lfy n HIS 89 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1lfy h LYS 90 N 0.00 -0.41 0.00 -0.41 3.64 -1.62 -3.27 116.57 114.50 1lfy h LYS 90 Ca 0.00 0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1lfy h LYS 90 Cb 0.00 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1lfy h LYS 90 CO 0.00 -0.22 -0.67 -0.07 -2.27 0.00 0.00 179.45 176.22 1lfy h LEU 91 N -0.50 0.00 -3.21 5.20 3.38 -1.53 -3.49 115.31 115.16 1lfy h LEU 91 Ca -0.04 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.54 1lfy h LEU 91 Cb 0.37 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.19 1lfy h LEU 91 CO 0.07 0.48 -0.85 0.54 0.09 0.00 0.00 178.44 178.78 1lfy n ARG 92 N -3.14 -1.24 -2.95 1.13 5.12 0.42 -4.90 116.66 111.10 1lfy n ARG 92 Ca -0.00 0.62 -0.41 0.00 -1.93 0.00 0.00 57.85 56.13 1lfy n ARG 92 Cb 0.74 -4.01 -0.04 0.00 -1.16 0.00 0.00 32.46 27.98 1lfy n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1lfy s VAL 93 N -3.34 4.91 0.06 1.55 1.01 -0.84 -4.99 120.40 118.77 1lfy s VAL 93 Ca 0.35 1.52 -0.36 0.00 0.00 0.00 0.00 61.98 63.49 1lfy s VAL 93 Cb -0.13 -4.09 -0.15 0.00 0.00 0.00 0.00 36.38 32.01 1lfy s VAL 93 CO 0.86 0.04 1.48 -0.67 0.00 0.00 0.00 175.10 176.81 1lfy n ASP 94 N 5.23 2.25 -0.19 3.32 -0.08 -1.26 -4.80 116.55 121.02 1lfy n ASP 94 Ca 0.03 1.10 0.17 0.00 -1.51 0.00 0.00 54.79 54.58 1lfy n ASP 94 Cb 0.49 -1.27 0.52 0.00 2.34 0.00 0.00 41.12 43.21 1lfy n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1lfy h PRO 95 N 5.48 0.37 -0.22 -0.67 0.11 -2.00 -1.78 132.00 133.30 1lfy h PRO 95 Ca -0.47 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.67 1lfy h PRO 95 Cb 1.31 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 1lfy h PRO 95 CO 0.84 0.25 -0.15 -0.24 -0.21 0.00 0.00 178.00 178.49 1lfy h VAL 96 N 0.38 0.58 0.00 3.15 3.04 -2.02 -1.73 116.25 119.64 1lfy h VAL 96 Ca 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.09 1lfy h VAL 96 Cb 1.00 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 1lfy h VAL 96 CO -0.13 0.00 0.47 0.59 -1.01 0.00 0.00 177.57 177.49 1lfy n ASN 97 N -5.31 0.08 0.02 3.17 5.03 -0.67 0.65 115.26 118.23 1lfy n ASN 97 Ca -0.01 0.26 -0.06 0.00 0.87 0.00 0.00 54.58 55.64 1lfy n ASN 97 Cb 0.22 -0.18 -0.12 0.00 -1.02 0.00 0.00 39.78 38.69 1lfy n ASN 97 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1lfy h PHE 98 N 0.00 0.00 -0.04 3.10 0.04 -1.47 -3.18 116.94 115.39 1lfy h PHE 98 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1lfy h PHE 98 Cb 0.93 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 1lfy h PHE 98 CO 0.00 0.91 -0.55 0.87 -0.60 0.00 0.00 178.31 178.94 1lfy h LYS 99 N 0.00 0.12 0.33 1.51 1.57 0.09 -1.94 116.57 118.24 1lfy h LYS 99 Ca -0.17 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1lfy h LYS 99 Cb 1.85 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.17 1lfy h LYS 99 CO 0.09 0.64 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.38 1lfy h LEU 100 N 0.09 -0.37 -1.72 2.94 3.38 -1.64 -2.58 115.31 115.41 1lfy h LEU 100 Ca -0.00 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 57.98 1lfy h LEU 100 Cb 1.00 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1lfy h LEU 100 CO 0.08 0.09 0.40 0.25 0.09 0.00 0.00 178.44 179.35 1lfy h LEU 101 N -1.04 0.27 -1.03 1.67 5.85 -1.60 0.42 115.31 119.86 1lfy h LEU 101 Ca -0.05 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1lfy h LEU 101 Cb 0.46 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1lfy h LEU 101 CO 0.07 0.16 -0.25 0.28 -0.34 0.00 0.00 178.44 178.36 1lfy h SER 102 N 0.30 0.39 0.18 1.25 0.02 -1.36 -1.29 113.55 113.04 1lfy h SER 102 Ca 0.28 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1lfy h SER 102 Cb 0.70 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1lfy h SER 102 CO -0.07 0.65 -0.09 -0.74 -1.14 0.00 0.00 176.83 175.44 1lfy h HIS 103 N 0.35 -0.23 0.00 3.45 -0.00 0.21 -2.94 115.15 115.99 1lfy h HIS 103 Ca 0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1lfy h HIS 103 Cb 0.64 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.12 1lfy h HIS 103 CO 0.02 0.10 0.00 0.00 -0.00 0.00 0.00 177.93 178.05 1lfy h LEU 105 N 0.00 0.00 0.03 0.00 5.85 -1.06 -2.75 115.31 117.38 1lfy h LEU 105 Ca 0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 1lfy h LEU 105 Cb 0.19 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1lfy h LEU 105 CO 0.00 0.39 -1.99 0.18 -0.34 0.00 0.00 178.44 176.68 1lfy n LEU 106 N -3.09 1.35 0.23 2.25 4.77 -0.52 -2.70 117.00 119.30 1lfy n LEU 106 Ca -0.00 0.23 0.08 0.00 -0.03 0.00 0.00 56.01 56.29 1lfy n LEU 106 Cb 0.71 -0.19 0.54 0.00 -2.33 0.00 0.00 43.42 42.14 1lfy n LEU 106 CO 0.40 0.58 0.86 0.58 -1.33 0.00 0.00 177.39 178.48 1lfy h VAL 107 N 0.02 0.85 0.16 4.08 2.07 -1.24 0.12 116.25 122.31 1lfy h VAL 107 Ca -0.40 -0.88 -0.31 0.00 0.82 0.00 0.00 66.70 65.93 1lfy h VAL 107 Cb 2.05 1.52 0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1lfy h VAL 107 CO 0.06 0.22 -1.48 0.74 0.02 0.00 0.00 177.57 177.12 1lfy h THR 108 N 0.00 1.23 -0.09 2.57 2.02 -1.59 -3.10 112.91 113.96 1lfy h THR 108 Ca -0.00 -2.80 -0.03 0.00 0.77 0.00 0.00 66.41 64.35 1lfy h THR 108 Cb 0.50 2.87 -0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1lfy h THR 108 CO 0.03 0.84 -0.07 -0.07 0.37 0.00 0.00 175.52 176.62 1lfy h LEU 109 N 0.09 0.22 -2.09 2.58 4.07 -1.24 -3.12 115.31 115.82 1lfy h LEU 109 Ca -0.23 -0.45 0.02 0.00 0.08 0.00 0.00 57.88 57.29 1lfy h LEU 109 Cb 2.05 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 43.73 1lfy h LEU 109 CO 0.20 0.62 0.05 0.00 -1.08 0.00 0.00 178.44 178.23 1lfy h ALA 110 N 0.60 1.96 -0.29 1.53 0.00 -0.90 0.24 119.26 122.39 1lfy h ALA 110 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1lfy h ALA 110 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1lfy h ALA 110 CO 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1lfy n ALA 111 N -2.50 2.47 0.00 0.00 0.00 -1.17 -3.98 120.51 115.33 1lfy n ALA 111 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1lfy n ALA 111 Cb 0.15 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1lfy n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfy n HIS 112 N 0.51 0.00 -3.82 0.00 -0.00 -0.16 -4.94 115.22 106.81 1lfy n HIS 112 Ca 0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.56 1lfy n HIS 112 Cb 0.33 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.18 1lfy n HIS 112 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1lfy s LEU 113 N -2.72 3.35 0.13 2.41 1.43 0.66 -4.95 118.68 118.98 1lfy s LEU 113 Ca 0.00 -2.49 0.25 0.00 -1.03 0.00 0.00 54.13 50.86 1lfy s LEU 113 Cb 0.00 -1.25 0.52 0.00 0.03 0.00 0.00 46.19 45.48 1lfy s LEU 113 CO 0.00 -0.30 1.47 -0.81 0.23 0.00 0.00 176.35 176.94 1lfy n PRO 114 N 3.76 0.25 -0.01 1.29 -0.04 -1.26 -3.23 135.00 135.76 1lfy n PRO 114 Ca 0.05 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1lfy n PRO 114 Cb 0.36 -1.70 -0.12 0.00 -0.04 0.00 0.00 33.50 32.01 1lfy n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lfy n ALA 115 N -1.78 2.03 -0.07 0.55 0.00 -1.26 -4.54 120.51 115.44 1lfy n ALA 115 Ca 0.04 -0.74 -0.04 0.00 0.00 0.00 0.00 53.44 52.70 1lfy n ALA 115 Cb 0.43 -0.71 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 1lfy n ALA 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1lfy n GLU 116 N -2.71 0.94 -0.55 0.00 0.00 -1.26 -4.67 120.64 112.40 1lfy n GLU 116 Ca -0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 57.16 56.86 1lfy n GLU 116 Cb 0.86 -1.46 -0.06 0.00 0.00 0.00 0.00 31.44 30.77 1lfy n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1lfy n PHE 117 N -2.54 0.37 -1.59 -1.84 7.35 -1.20 -4.68 117.46 113.33 1lfy n PHE 117 Ca -0.23 -1.07 -0.31 0.00 -0.76 0.00 0.00 57.45 55.09 1lfy n PHE 117 Cb 0.94 -1.17 0.06 0.00 0.35 0.00 0.00 39.48 39.66 1lfy n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lfy s THR 118 N 2.49 3.77 0.35 -2.13 -4.23 -1.26 -4.68 115.64 109.95 1lfy s THR 118 Ca 0.34 0.58 0.13 0.00 -1.18 0.00 0.00 61.69 61.55 1lfy s THR 118 Cb 0.14 -3.34 0.34 0.00 1.34 0.00 0.00 72.50 70.98 1lfy s THR 118 CO -0.01 -0.75 1.76 -0.65 -0.54 0.00 0.00 174.62 174.43 1lfy h PRO 119 N -0.80 0.52 -0.19 3.99 0.11 -1.98 0.69 132.00 134.34 1lfy h PRO 119 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1lfy h PRO 119 Cb 1.23 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1lfy h PRO 119 CO 0.58 0.35 -0.10 0.00 -0.21 0.00 0.00 178.00 178.61 1lfy h ALA 120 N 1.66 0.27 0.00 -0.75 0.00 -1.94 -1.87 119.26 116.63 1lfy h ALA 120 Ca 0.60 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1lfy h ALA 120 Cb 1.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1lfy h ALA 120 CO -0.37 0.10 -0.44 0.28 0.00 0.00 0.00 179.25 178.83 1lfy h VAL 121 N 0.09 0.99 -0.59 0.00 2.07 -1.55 -2.21 116.25 115.04 1lfy h VAL 121 Ca 0.04 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.79 1lfy h VAL 121 Cb 0.59 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1lfy h VAL 121 CO 0.03 0.43 0.19 -0.74 0.02 0.00 0.00 177.57 177.50 1lfy h HIS 122 N 0.00 0.94 -0.27 1.57 6.17 0.55 -2.39 115.15 121.73 1lfy h HIS 122 Ca -0.00 -0.09 -0.18 0.00 0.71 0.00 0.00 60.37 60.80 1lfy h HIS 122 Cb 1.00 -0.27 -0.00 0.00 2.52 0.00 0.00 27.41 30.65 1lfy h HIS 122 CO 0.00 0.78 -0.55 0.00 0.71 0.00 0.00 177.93 178.87 1lfy h ALA 123 N 1.06 0.51 0.10 5.26 0.00 -1.11 -2.42 119.26 122.67 1lfy h ALA 123 Ca 0.19 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1lfy h ALA 123 Cb 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1lfy h ALA 123 CO -0.01 0.68 -0.30 0.77 0.00 0.00 0.00 179.25 180.40 1lfy h SER 124 N 0.62 -0.86 -0.40 0.00 0.02 -1.18 0.32 113.55 112.07 1lfy h SER 124 Ca 0.01 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1lfy h SER 124 Cb 1.15 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 63.99 1lfy h SER 124 CO 0.12 -0.39 0.22 -0.07 -1.14 0.00 0.00 176.83 175.57 1lfy h LEU 125 N -0.51 0.34 -0.64 5.07 4.07 -1.47 0.38 115.31 122.56 1lfy h LEU 125 Ca 0.03 0.01 0.11 0.00 0.08 0.00 0.00 57.88 58.12 1lfy h LEU 125 Cb 0.55 -0.06 -0.08 0.00 1.08 0.00 0.00 40.66 42.14 1lfy h LEU 125 CO -0.19 0.25 0.21 -0.78 -1.08 0.00 0.00 178.44 176.85 1lfy h ASP 126 N 0.45 0.16 0.23 -0.43 1.82 -1.00 0.34 116.42 117.98 1lfy h ASP 126 Ca 0.16 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.89 1lfy h ASP 126 Cb 0.04 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1lfy h ASP 126 CO -0.09 0.09 -0.11 0.11 -1.61 0.00 0.00 179.24 177.62 1lfy h LYS 127 N 0.36 -0.29 -0.18 0.28 1.57 0.09 -0.85 116.57 117.55 1lfy h LYS 127 Ca 0.33 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.16 1lfy h LYS 127 Cb 0.46 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 1lfy h LYS 127 CO -0.36 -0.12 -0.53 0.35 -0.57 0.00 0.00 179.45 178.23 1lfy h PHE 128 N -0.41 -1.58 -0.04 -1.35 3.57 0.12 0.23 116.94 117.48 1lfy h PHE 128 Ca -0.03 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1lfy h PHE 128 Cb 0.31 0.71 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1lfy h PHE 128 CO -0.03 -0.52 0.04 -0.07 -2.23 0.00 0.00 178.31 175.50 1lfy h LEU 129 N -0.53 0.00 -0.50 0.59 3.38 -0.38 0.12 115.31 118.00 1lfy h LEU 129 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1lfy h LEU 129 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1lfy h LEU 129 CO -0.45 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 177.76 1lfy h ALA 130 N 1.96 0.68 -0.32 1.53 0.00 0.49 -0.35 119.26 123.25 1lfy h ALA 130 Ca 0.02 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 1lfy h ALA 130 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1lfy h ALA 130 CO -0.00 0.67 -0.49 0.77 0.00 0.00 0.00 179.25 180.20 1lfy h SER 131 N 0.75 0.98 -0.82 0.00 0.02 0.40 -0.32 113.55 114.55 1lfy h SER 131 Ca 0.08 -0.50 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1lfy h SER 131 Cb 0.89 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1lfy h SER 131 CO 0.08 1.30 0.49 0.58 -1.14 0.00 0.00 176.83 178.14 1lfy h VAL 132 N 0.70 1.23 0.00 2.27 2.07 -0.86 -0.61 116.25 121.05 1lfy h VAL 132 Ca 0.03 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 1lfy h VAL 132 Cb 1.09 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1lfy h VAL 132 CO 0.11 0.24 -0.32 0.28 0.02 0.00 0.00 177.57 177.91 1lfy h SER 133 N 1.13 0.00 0.23 0.57 0.02 -0.91 -2.68 113.55 111.91 1lfy h SER 133 Ca 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1lfy h SER 133 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1lfy h SER 133 CO -0.05 0.32 -0.11 0.74 -1.14 0.00 0.00 176.83 176.58 1lfy h THR 134 N 0.00 0.76 -0.40 -2.27 2.02 -0.23 -2.73 112.91 110.04 1lfy h THR 134 Ca -0.00 -0.87 0.08 0.00 0.77 0.00 0.00 66.41 66.39 1lfy h THR 134 Cb 1.00 1.19 -0.09 0.00 -1.74 0.00 0.00 68.15 68.51 1lfy h THR 134 CO 0.04 0.17 -0.26 0.58 0.37 0.00 0.00 175.52 176.41 1lfy h VAL 135 N -0.82 0.31 -0.65 3.16 2.07 -1.13 -0.11 116.25 119.09 1lfy h VAL 135 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1lfy h VAL 135 Cb 0.51 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1lfy h VAL 135 CO 0.05 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 178.00 1lfy h LEU 136 N -0.19 0.75 -3.39 2.57 3.38 -1.54 -0.26 115.31 116.62 1lfy h LEU 136 Ca 0.19 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1lfy h LEU 136 Cb 0.49 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 40.94 1lfy h LEU 136 CO -0.52 0.54 0.25 0.35 0.09 0.00 0.00 178.44 179.15 1lfy n THR 137 N -4.44 2.57 0.00 0.22 -2.24 -0.68 -4.19 114.28 105.52 1lfy n THR 137 Ca 0.07 -1.37 -0.17 0.00 -2.27 0.00 0.00 64.05 60.30 1lfy n THR 137 Cb 0.04 -0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 67.74 1lfy n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1lfy h SER 138 N 2.24 0.57 0.00 3.42 4.64 0.79 -3.08 113.55 122.13 1lfy h SER 138 Ca 0.24 -0.74 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1lfy h SER 138 Cb 2.12 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1lfy h SER 138 CO 0.65 1.23 0.00 1.17 -0.87 0.00 0.00 176.83 179.01 1lfy n LYS 139 N -4.20 0.32 0.00 4.77 3.00 -1.26 -1.21 118.16 119.58 1lfy n LYS 139 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 1lfy n LYS 139 Cb 0.68 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 34.44 1lfy n LYS 139 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1lfy n TYR 140 N 0.64 0.00 0.34 5.64 0.53 -1.16 -4.83 117.16 118.32 1lfy n TYR 140 Ca 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 56.91 1lfy n TYR 140 Cb 0.13 0.01 0.16 0.00 -1.03 0.00 0.00 39.34 38.61 1lfy n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38