#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2utg s ILE 2 N 0.00 -0.06 -0.32 -0.61 1.10 -1.26 -4.86 121.20 115.19 2utg s ILE 2 Ca 0.00 0.18 -0.44 0.00 -0.51 0.00 0.00 60.65 59.88 2utg s ILE 2 Cb 0.00 -0.27 -0.19 0.00 0.15 0.00 0.00 42.46 42.15 2utg s ILE 2 CO 0.00 0.07 1.48 0.00 -2.11 0.00 0.00 174.94 174.39 2utg h PRO 4 N 4.81 0.50 -0.88 0.00 0.11 -2.00 -0.33 132.00 134.22 2utg h PRO 4 Ca -0.46 -0.19 0.03 0.00 0.11 0.00 0.00 66.00 65.49 2utg h PRO 4 Cb 1.38 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.41 2utg h PRO 4 CO 0.89 0.71 0.57 0.00 -0.21 0.00 0.00 178.00 179.96 2utg h ARG 5 N 0.45 1.08 -0.03 1.05 3.08 -2.00 -1.23 114.38 116.78 2utg h ARG 5 Ca 0.07 -0.07 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 2utg h ARG 5 Cb 0.67 -0.24 0.02 0.00 0.08 0.00 0.00 29.97 30.49 2utg h ARG 5 CO 0.05 0.72 -0.89 0.35 -1.07 0.00 0.00 179.97 179.13 2utg h PHE 6 N 1.12 0.95 -0.32 3.04 3.57 -1.84 -2.25 116.94 121.21 2utg h PHE 6 Ca 0.34 -0.50 0.09 0.00 3.53 0.00 0.00 57.97 61.44 2utg h PHE 6 Cb -0.02 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2utg h PHE 6 CO -0.02 1.33 0.30 0.00 -2.23 0.00 0.00 178.31 177.69 2utg h ALA 7 N 0.41 2.07 -0.00 2.41 0.00 -0.96 -1.53 119.26 121.65 2utg h ALA 7 Ca -0.10 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2utg h ALA 7 Cb 1.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2utg h ALA 7 CO 0.18 -0.46 -0.78 1.12 0.00 0.00 0.00 179.25 179.30 2utg h HIS 8 N 0.00 0.09 0.02 0.00 2.07 -0.64 -1.70 115.15 114.99 2utg h HIS 8 Ca 0.15 -0.05 -0.00 0.00 -2.85 0.00 0.00 60.37 57.62 2utg h HIS 8 Cb 0.74 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.71 2utg h HIS 8 CO 0.00 0.82 -0.01 0.28 -3.07 0.00 0.00 177.93 175.95 2utg h VAL 9 N 0.04 1.27 -0.72 6.12 2.07 -0.92 -2.74 116.25 121.37 2utg h VAL 9 Ca -0.02 -0.90 0.15 0.00 0.82 0.00 0.00 66.70 66.76 2utg h VAL 9 Cb 1.37 1.87 -0.10 0.00 -1.52 0.00 0.00 31.29 32.91 2utg h VAL 9 CO 0.11 0.23 0.18 0.40 0.02 0.00 0.00 177.57 178.51 2utg h ILE 10 N -0.41 0.55 -0.61 4.57 1.08 -1.40 0.26 117.51 121.55 2utg h ILE 10 Ca -0.00 -0.10 -0.08 0.00 -0.39 0.00 0.00 64.86 64.29 2utg h ILE 10 Cb 0.40 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 2utg h ILE 10 CO 0.00 0.05 0.05 -0.08 -0.69 0.00 0.00 178.15 177.48 2utg h GLU 11 N 0.28 1.04 -0.13 2.37 4.81 -1.25 0.30 114.58 122.00 2utg h GLU 11 Ca 0.40 -0.31 -0.23 0.00 -0.13 0.00 0.00 59.36 59.09 2utg h GLU 11 Cb 0.66 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.94 2utg h GLU 11 CO -0.48 1.00 -0.81 -0.91 -0.73 0.00 0.00 179.01 177.07 2utg h ASN 12 N 0.94 0.93 -0.78 1.04 2.35 -1.16 0.84 115.58 119.74 2utg h ASN 12 Ca 0.18 -0.63 -0.05 0.00 -0.55 0.00 0.00 56.30 55.25 2utg h ASN 12 Cb 0.50 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 2utg h ASN 12 CO 0.02 1.43 0.28 0.25 -1.65 0.00 0.00 177.43 177.76 2utg h LEU 13 N 0.52 1.10 0.00 1.61 5.85 -0.37 1.29 115.31 125.31 2utg h LEU 13 Ca -0.06 -0.19 -0.17 0.00 0.84 0.00 0.00 57.88 58.30 2utg h LEU 13 Cb 1.44 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2utg h LEU 13 CO 0.17 0.99 -1.09 -0.07 -0.34 0.00 0.00 178.44 178.09 2utg h LEU 14 N 1.14 0.00 0.00 2.25 3.38 -0.32 -3.40 115.31 118.36 2utg h LEU 14 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2utg h LEU 14 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2utg h LEU 14 CO -0.02 0.69 -0.33 0.18 0.09 0.00 0.00 178.44 179.06 2utg n LEU 15 N -3.10 0.00 0.00 1.67 4.77 0.28 -4.79 117.00 115.83 2utg n LEU 15 Ca -0.05 -0.32 -0.03 0.00 -0.03 0.00 0.00 56.01 55.58 2utg n LEU 15 Cb 0.86 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.96 2utg n LEU 15 CO 0.43 0.00 0.09 0.61 -1.33 0.00 0.00 177.39 177.19 2utg n GLY 16 N 1.46 -0.45 3.87 -0.72 0.00 0.44 -4.97 105.19 104.83 2utg n GLY 16 Ca 0.00 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 2utg n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2utg s THR 17 N -0.88 4.94 0.24 2.61 -4.23 -1.26 -4.94 115.64 112.13 2utg s THR 17 Ca 0.08 0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 60.98 2utg s THR 17 Cb -0.00 -3.62 0.26 0.00 1.34 0.00 0.00 72.50 70.48 2utg s THR 17 CO 0.06 -0.06 1.65 -0.65 -0.54 0.00 0.00 174.62 175.08 2utg h PRO 18 N 2.59 0.13 -0.31 3.99 0.11 -1.98 -2.15 132.00 134.38 2utg h PRO 18 Ca -0.47 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2utg h PRO 18 Cb 1.17 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2utg h PRO 18 CO 0.69 0.09 0.07 0.77 -0.21 0.00 0.00 178.00 179.41 2utg h SER 19 N 0.14 0.47 -0.03 -2.05 0.02 -1.98 0.83 113.55 110.95 2utg h SER 19 Ca 0.41 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2utg h SER 19 Cb 0.72 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 2utg h SER 19 CO -0.62 0.58 -0.34 0.77 -1.14 0.00 0.00 176.83 176.08 2utg h SER 20 N 0.33 -1.03 -0.27 3.07 4.64 -1.79 -0.37 113.55 118.13 2utg h SER 20 Ca 0.10 0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.59 2utg h SER 20 Cb 0.30 0.42 -0.04 0.00 -0.31 0.00 0.00 62.40 62.77 2utg h SER 20 CO 0.00 -0.40 0.05 0.22 -0.87 0.00 0.00 176.83 175.84 2utg h TYR 21 N -0.48 0.08 0.00 4.77 3.20 -1.47 -1.15 116.97 121.92 2utg h TYR 21 Ca 0.07 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 2utg h TYR 21 Cb 0.58 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2utg h TYR 21 CO -0.37 0.02 -0.32 1.49 -1.64 0.00 0.00 178.16 177.34 2utg h GLU 22 N 0.15 0.00 -0.70 1.82 4.81 0.24 -2.42 114.58 118.48 2utg h GLU 22 Ca 0.12 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2utg h GLU 22 Cb 0.13 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 2utg h GLU 22 CO -0.16 0.32 0.43 1.15 -0.73 0.00 0.00 179.01 180.01 2utg h THR 23 N 0.00 1.08 -0.55 0.32 2.02 -0.92 -0.92 112.91 113.94 2utg h THR 23 Ca -0.00 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 2utg h THR 23 Cb 0.58 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2utg h THR 23 CO 0.04 0.15 -0.00 0.28 0.37 0.00 0.00 175.52 176.36 2utg h SER 24 N 0.84 0.91 0.03 4.18 0.02 -0.89 -2.75 113.55 115.88 2utg h SER 24 Ca 0.28 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2utg h SER 24 Cb 0.04 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.34 2utg h SER 24 CO -0.12 0.97 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.46 2utg h LEU 25 N 0.87 -0.03 -2.00 5.07 3.38 -1.02 -3.20 115.31 118.37 2utg h LEU 25 Ca 0.16 -0.42 0.18 0.00 0.09 0.00 0.00 57.88 57.89 2utg h LEU 25 Cb 0.51 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2utg h LEU 25 CO 0.03 0.41 0.47 0.11 0.09 0.00 0.00 178.44 179.55 2utg h LYS 26 N -0.48 0.00 -0.05 1.13 1.57 -1.00 -1.79 116.57 115.94 2utg h LYS 26 Ca -0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2utg h LYS 26 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2utg h LYS 26 CO 0.01 0.00 0.14 0.93 -0.57 0.00 0.00 179.45 179.96 2utg h GLU 27 N 0.00 0.00 -0.01 3.15 5.08 -1.49 -2.53 114.58 118.79 2utg h GLU 27 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2utg h GLU 27 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2utg h GLU 27 CO -0.00 0.00 -0.54 1.19 -1.00 0.00 0.00 179.01 178.66 2utg n PHE 28 N -3.30 0.00 -3.54 4.33 3.72 -0.67 -5.00 117.46 113.00 2utg n PHE 28 Ca -0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 2utg n PHE 28 Cb 0.22 -0.08 0.05 0.00 -0.94 0.00 0.00 39.48 38.73 2utg n PHE 28 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2utg n GLU 29 N -0.79 -1.50 -1.89 -1.08 1.02 -0.95 -4.98 120.64 110.46 2utg n GLU 29 Ca 0.08 0.62 -0.41 0.00 -0.02 0.00 0.00 57.16 57.43 2utg n GLU 29 Cb 0.38 -4.60 -0.01 0.00 -0.02 0.00 0.00 31.44 27.19 2utg n GLU 29 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2utg s PRO 30 N -5.40 4.14 1.12 3.49 0.04 -1.26 -5.01 135.00 132.12 2utg s PRO 30 Ca 0.44 2.45 -0.13 0.00 0.04 0.00 0.00 61.00 63.81 2utg s PRO 30 Cb -0.13 -2.96 0.26 0.00 0.04 0.00 0.00 34.50 31.71 2utg s PRO 30 CO 0.83 -0.46 1.05 0.16 0.04 0.00 0.00 177.00 178.61 2utg s ASP 31 N -0.28 1.41 0.26 6.66 -4.77 -1.26 -4.66 116.67 114.03 2utg s ASP 31 Ca 0.52 1.35 -0.03 0.00 -3.30 0.00 0.00 52.55 51.09 2utg s ASP 31 Cb -0.44 -2.10 0.32 0.00 -1.09 0.00 0.00 42.92 39.61 2utg s ASP 31 CO 0.60 -3.91 1.81 0.44 0.70 0.00 0.00 175.17 174.80 2utg h ASP 32 N -2.43 0.87 -0.32 2.11 3.45 -1.99 -1.73 116.42 116.39 2utg h ASP 32 Ca -0.60 -0.15 -0.10 0.00 0.43 0.00 0.00 57.03 56.60 2utg h ASP 32 Cb 1.34 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.86 2utg h ASP 32 CO 0.53 0.83 -0.16 0.71 -1.57 0.00 0.00 179.24 179.58 2utg h THR 33 N 0.90 1.26 -0.16 0.35 1.35 -1.99 0.30 112.91 114.93 2utg h THR 33 Ca 0.20 -1.25 -0.02 0.00 -0.55 0.00 0.00 66.41 64.80 2utg h THR 33 Cb 0.28 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 2utg h THR 33 CO -0.01 0.42 0.04 0.24 -0.25 0.00 0.00 175.52 175.96 2utg h MET 34 N 0.69 0.26 -0.34 4.72 2.86 -1.87 0.13 114.93 121.39 2utg h MET 34 Ca 0.11 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2utg h MET 34 Cb 0.66 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2utg h MET 34 CO 0.05 0.41 0.09 -0.22 1.06 0.00 0.00 176.91 178.29 2utg h LYS 35 N 0.06 0.54 -0.07 1.72 1.63 -0.99 -2.40 116.57 117.07 2utg h LYS 35 Ca 0.05 -0.13 -0.07 0.00 -0.85 0.00 0.00 60.65 59.65 2utg h LYS 35 Cb 0.27 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2utg h LYS 35 CO 0.00 0.59 -0.27 -0.44 -3.45 0.00 0.00 179.45 175.88 2utg h ASP 36 N 0.40 0.12 0.16 4.20 5.19 -0.25 0.17 116.42 126.41 2utg h ASP 36 Ca 0.11 -0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.34 2utg h ASP 36 Cb 0.29 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 2utg h ASP 36 CO 0.00 0.40 -0.52 0.00 -3.12 0.00 0.00 179.24 175.99 2utg h ALA 37 N 1.61 0.83 -0.06 3.45 0.00 -0.43 -0.30 119.26 124.36 2utg h ALA 37 Ca 0.02 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.47 2utg h ALA 37 Cb 0.55 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2utg h ALA 37 CO 0.04 0.68 -0.25 0.78 0.00 0.00 0.00 179.25 180.50 2utg h GLY 38 N 1.22 -0.33 1.14 0.00 0.00 -0.87 -2.66 103.07 101.56 2utg h GLY 38 Ca 0.01 0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 2utg h GLY 38 CO 0.09 -0.20 0.34 -0.33 0.00 0.00 0.00 176.54 176.44 2utg h MET 39 N -0.36 1.11 -0.63 4.80 2.07 -0.21 -1.74 114.93 119.97 2utg h MET 39 Ca 0.08 -0.17 0.02 0.00 -2.07 0.00 0.00 59.70 57.56 2utg h MET 39 Cb 0.47 -0.20 -0.03 0.00 -1.87 0.00 0.00 31.60 29.97 2utg h MET 39 CO -0.26 0.87 0.42 0.37 1.07 0.00 0.00 176.91 179.38 2utg h GLN 40 N 1.09 0.79 0.10 1.72 5.75 -0.82 -0.98 115.11 122.76 2utg h GLN 40 Ca 0.26 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 2utg h GLN 40 Cb 0.15 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.52 2utg h GLN 40 CO -0.03 0.52 -0.05 1.98 -2.65 0.00 0.00 178.83 178.61 2utg h MET 41 N 0.81 -0.12 -0.40 1.69 4.05 -1.07 -2.81 114.93 117.08 2utg h MET 41 Ca 0.24 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.61 2utg h MET 41 Cb -0.02 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2utg h MET 41 CO -0.06 0.20 -0.00 -0.22 0.23 0.00 0.00 176.91 177.05 2utg h LYS 42 N -0.46 0.63 -0.31 0.39 3.64 -0.41 -2.35 116.57 117.71 2utg h LYS 42 Ca -0.01 -0.15 0.06 0.00 -1.27 0.00 0.00 60.65 59.27 2utg h LYS 42 Cb 0.38 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 2utg h LYS 42 CO 0.02 0.65 -0.46 0.87 -2.27 0.00 0.00 179.45 178.26 2utg h LYS 43 N 0.60 -0.40 0.00 1.90 1.57 -1.16 0.01 116.57 119.08 2utg h LYS 43 Ca 0.12 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2utg h LYS 43 Cb 0.38 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2utg h LYS 43 CO 0.01 -0.26 -0.36 -0.24 -0.57 0.00 0.00 179.45 178.03 2utg h VAL 44 N -0.41 1.07 -0.09 0.50 3.04 -1.21 -2.94 116.25 116.21 2utg h VAL 44 Ca 0.10 -1.32 -0.17 0.00 -1.01 0.00 0.00 66.70 64.30 2utg h VAL 44 Cb 0.61 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 2utg h VAL 44 CO -0.52 0.35 -0.67 -0.07 -1.01 0.00 0.00 177.57 175.65 2utg h LEU 45 N 0.00 0.45 0.00 3.16 3.38 -1.16 -2.90 115.31 118.23 2utg h LEU 45 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2utg h LEU 45 Cb 0.72 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2utg h LEU 45 CO 0.05 0.99 0.00 0.47 0.09 0.00 0.00 178.44 180.04 2utg n ASP 46 N -3.86 0.00 -0.08 -0.43 10.43 -0.03 -1.85 116.55 120.72 2utg n ASP 46 Ca -0.04 0.24 0.14 0.00 2.57 0.00 0.00 54.79 57.71 2utg n ASP 46 Cb 0.67 -0.36 0.64 0.00 1.84 0.00 0.00 41.12 43.91 2utg n ASP 46 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2utg n SER 47 N -1.36 0.35 -4.76 -2.24 3.41 -1.10 -4.86 113.62 103.05 2utg n SER 47 Ca 0.05 -0.46 -0.40 0.00 -0.26 0.00 0.00 58.87 57.81 2utg n SER 47 Cb 0.12 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2utg n SER 47 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2utg s LEU 48 N -2.51 4.51 0.37 1.04 1.43 -0.77 -5.06 118.68 117.70 2utg s LEU 48 Ca 0.28 1.50 -0.25 0.00 -1.03 0.00 0.00 54.13 54.64 2utg s LEU 48 Cb 0.20 -3.22 -0.12 0.00 0.03 0.00 0.00 46.19 43.08 2utg s LEU 48 CO 0.48 0.12 0.86 -0.81 0.23 0.00 0.00 176.35 177.23 2utg n PRO 49 N 2.22 1.08 -0.17 1.29 -0.04 -1.26 -4.82 135.00 133.29 2utg n PRO 49 Ca -0.05 0.38 -0.07 0.00 -0.04 0.00 0.00 63.50 63.72 2utg n PRO 49 Cb 0.50 -1.79 0.02 0.00 -0.04 0.00 0.00 33.50 32.18 2utg n PRO 49 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2utg h GLN 50 N 1.44 0.67 0.00 0.54 5.75 -1.98 -2.48 115.11 119.05 2utg h GLN 50 Ca -0.41 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 57.96 2utg h GLN 50 Cb 1.36 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.76 2utg h GLN 50 CO 0.56 0.49 -0.30 1.15 -2.65 0.00 0.00 178.83 178.09 2utg h THR 51 N 0.66 0.89 -0.09 2.39 2.02 -1.99 -2.55 112.91 114.24 2utg h THR 51 Ca 0.18 -1.17 0.03 0.00 0.77 0.00 0.00 66.41 66.21 2utg h THR 51 Cb -0.00 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2utg h THR 51 CO -0.03 0.29 -0.08 0.74 0.37 0.00 0.00 175.52 176.81 2utg h THR 52 N 0.00 0.76 -0.31 3.16 2.02 -1.86 0.15 112.91 116.83 2utg h THR 52 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2utg h THR 52 Cb 0.67 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 2utg h THR 52 CO 0.04 0.00 0.06 0.03 0.37 0.00 0.00 175.52 176.02 2utg h ARG 53 N -0.10 0.17 -0.92 6.66 3.08 -1.03 0.45 114.38 122.68 2utg h ARG 53 Ca 0.06 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.22 2utg h ARG 53 Cb 0.20 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.12 2utg h ARG 53 CO -0.15 0.11 0.55 0.93 -1.07 0.00 0.00 179.97 180.34 2utg h GLU 54 N 0.17 0.84 -0.15 0.04 5.08 -1.48 0.24 114.58 119.32 2utg h GLU 54 Ca 0.14 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 2utg h GLU 54 Cb 0.15 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2utg h GLU 54 CO -0.19 0.55 -0.74 -0.91 -1.00 0.00 0.00 179.01 176.73 2utg h ASN 55 N 0.86 0.81 -0.52 1.42 2.35 0.67 -0.24 115.58 120.93 2utg h ASN 55 Ca 0.46 -0.52 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 2utg h ASN 55 Cb 0.49 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 2utg h ASN 55 CO -0.28 1.30 0.13 0.40 -1.65 0.00 0.00 177.43 177.33 2utg h ILE 56 N 0.48 1.24 -0.69 2.81 2.04 0.47 -0.80 117.51 123.06 2utg h ILE 56 Ca -0.04 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 2utg h ILE 56 Cb 1.35 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 2utg h ILE 56 CO 0.15 0.32 0.27 -0.03 0.00 0.00 0.00 178.15 178.86 2utg h MET 57 N 0.85 1.03 -0.60 2.37 4.05 0.84 0.16 114.93 123.63 2utg h MET 57 Ca 0.18 -0.19 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 2utg h MET 57 Cb 0.32 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 2utg h MET 57 CO 0.00 0.86 0.08 0.87 0.23 0.00 0.00 176.91 178.95 2utg h LYS 58 N 0.98 1.01 -0.49 0.39 1.57 -0.88 -2.36 116.57 116.80 2utg h LYS 58 Ca 0.23 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2utg h LYS 58 Cb 0.21 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2utg h LYS 58 CO -0.02 0.96 -0.02 1.25 -0.57 0.00 0.00 179.45 181.05 2utg h LEU 59 N 0.92 0.86 -0.12 2.94 5.85 -0.63 0.72 115.31 125.84 2utg h LEU 59 Ca 0.18 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.62 2utg h LEU 59 Cb 0.45 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2utg h LEU 59 CO 0.01 0.97 -0.10 0.74 -0.34 0.00 0.00 178.44 179.72 2utg h THR 60 N 0.73 0.70 -0.43 1.05 2.02 -0.81 -2.71 112.91 113.46 2utg h THR 60 Ca 0.14 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.40 2utg h THR 60 Cb 0.54 0.70 -0.09 0.00 -1.74 0.00 0.00 68.15 67.56 2utg h THR 60 CO 0.03 0.00 -0.26 -0.33 0.37 0.00 0.00 175.52 175.33 2utg h GLU 61 N -0.12 -0.17 -0.87 6.66 5.08 -1.30 -2.38 114.58 121.48 2utg h GLU 61 Ca 0.08 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2utg h GLU 61 Cb 0.24 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2utg h GLU 61 CO -0.20 -0.11 0.58 -0.22 -1.00 0.00 0.00 179.01 178.06 2utg h LYS 62 N -0.18 1.13 0.04 2.33 3.64 -0.76 -2.60 116.57 120.18 2utg h LYS 62 Ca 0.20 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2utg h LYS 62 Cb 0.49 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 2utg h LYS 62 CO -0.53 0.75 -0.24 0.82 -2.27 0.00 0.00 179.45 177.98 2utg h ILE 63 N 1.17 0.46 0.00 2.00 2.04 -1.24 0.34 117.51 122.28 2utg h ILE 63 Ca 0.33 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.10 2utg h ILE 63 Cb -0.11 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2utg h ILE 63 CO -0.08 0.00 -0.40 -0.37 0.00 0.00 0.00 178.15 177.30 2utg h VAL 64 N -0.39 0.94 0.00 1.67 -1.51 -1.40 -1.66 116.25 113.90 2utg h VAL 64 Ca 0.05 -1.57 0.00 0.00 -1.23 0.00 0.00 66.70 63.95 2utg h VAL 64 Cb 0.45 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2utg h VAL 64 CO -0.19 0.39 -0.18 0.11 -1.23 0.00 0.00 177.57 176.47 2utg h LYS 65 N 0.00 0.00 -7.13 5.19 6.56 -1.25 -3.35 116.57 116.59 2utg h LYS 65 Ca -0.00 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.04 2utg h LYS 65 Cb 0.91 0.00 0.17 0.00 -0.57 0.00 0.00 32.23 32.74 2utg h LYS 65 CO 0.05 0.00 0.42 0.45 -2.06 0.00 0.00 179.45 178.31 2utg n SER 66 N -2.98 1.58 0.02 0.86 2.88 0.12 -4.61 113.62 111.49 2utg n SER 66 Ca 0.03 0.73 0.14 0.00 -1.33 0.00 0.00 58.87 58.44 2utg n SER 66 Cb 0.53 -1.53 0.60 0.00 -0.75 0.00 0.00 64.21 63.05 2utg n SER 66 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2utg h PRO 67 N -0.08 0.18 -0.36 -1.46 0.13 -1.89 0.85 132.00 129.37 2utg h PRO 67 Ca -0.49 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2utg h PRO 67 Cb 1.32 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2utg h PRO 67 CO 0.50 0.12 0.24 -0.07 -0.23 0.00 0.00 178.00 178.56 2utg h LEU 68 N 0.18 0.23 0.00 1.56 -0.00 -1.91 -3.37 115.31 112.00 2utg h LEU 68 Ca 0.21 -0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.02 2utg h LEU 68 Cb 0.59 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2utg h LEU 68 CO -0.03 0.15 -0.82 0.00 -0.00 0.00 0.00 178.44 177.74