#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1utg s ILE 2 N 0.00 0.00 -0.13 -0.61 2.07 -1.26 -4.86 121.20 116.40 1utg s ILE 2 Ca 0.00 0.00 -0.37 0.00 -1.41 0.00 0.00 60.65 58.87 1utg s ILE 2 Cb 0.00 -1.00 -0.14 0.00 0.13 0.00 0.00 42.46 41.45 1utg s ILE 2 CO 0.00 0.00 1.76 0.00 -1.91 0.00 0.00 174.94 174.79 1utg h PRO 4 N 7.74 0.93 -0.08 0.00 0.11 -2.00 -1.06 132.00 137.65 1utg h PRO 4 Ca -0.47 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.44 1utg h PRO 4 Cb 1.29 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1utg h PRO 4 CO 0.93 0.61 -0.56 0.00 -0.21 0.00 0.00 178.00 178.78 1utg h ARG 5 N 0.95 0.23 -0.42 1.05 3.08 -2.00 -2.48 114.38 114.80 1utg h ARG 5 Ca 0.34 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1utg h ARG 5 Cb 0.15 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1utg h ARG 5 CO -0.12 0.73 0.06 0.35 -1.07 0.00 0.00 179.97 179.93 1utg h PHE 6 N 0.18 0.74 -0.73 3.04 -0.00 -1.66 -2.44 116.94 116.07 1utg h PHE 6 Ca -0.00 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.97 57.83 1utg h PHE 6 Cb 1.04 -0.20 -0.03 0.00 -0.00 0.00 0.00 35.95 36.75 1utg h PHE 6 CO 0.02 0.72 0.32 0.00 -0.00 0.00 0.00 178.31 179.37 1utg h ALA 7 N 0.93 1.18 -0.60 2.41 0.00 -1.07 -0.22 119.26 121.89 1utg h ALA 7 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1utg h ALA 7 Cb 0.38 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1utg h ALA 7 CO 0.01 0.61 0.33 0.45 0.00 0.00 0.00 179.25 180.64 1utg h HIS 8 N 1.05 0.83 0.03 0.00 3.86 -1.13 0.14 115.15 119.93 1utg h HIS 8 Ca 0.25 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.44 1utg h HIS 8 Cb 0.16 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1utg h HIS 8 CO 0.01 0.60 -0.23 0.28 0.86 0.00 0.00 177.93 179.45 1utg h VAL 9 N 0.81 0.00 -0.89 2.45 2.07 -1.15 0.12 116.25 119.65 1utg h VAL 9 Ca 0.21 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.85 1utg h VAL 9 Cb 0.05 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.74 1utg h VAL 9 CO -0.03 0.00 0.52 0.40 0.02 0.00 0.00 177.57 178.48 1utg h ILE 10 N -0.32 0.87 -0.87 4.57 2.04 -0.76 0.40 117.51 123.45 1utg h ILE 10 Ca -0.00 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1utg h ILE 10 Cb 0.32 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 1utg h ILE 10 CO -0.14 0.15 0.52 -0.08 0.00 0.00 0.00 178.15 178.61 1utg h GLU 11 N 0.83 1.18 -0.12 2.37 4.81 -0.20 -0.72 114.58 122.72 1utg h GLU 11 Ca 0.45 -0.11 -0.20 0.00 -0.13 0.00 0.00 59.36 59.37 1utg h GLU 11 Cb 0.48 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1utg h GLU 11 CO -0.28 0.83 -0.75 -0.91 -0.73 0.00 0.00 179.01 177.17 1utg h ASN 12 N 1.19 0.72 -0.27 1.04 2.35 0.12 0.22 115.58 120.95 1utg h ASN 12 Ca 0.31 -0.47 0.07 0.00 -0.55 0.00 0.00 56.30 55.65 1utg h ASN 12 Cb -0.05 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.04 1utg h ASN 12 CO -0.06 1.24 -0.20 0.25 -1.65 0.00 0.00 177.43 177.01 1utg h LEU 13 N 0.42 -0.67 0.10 1.61 5.85 -0.51 -0.88 115.31 121.23 1utg h LEU 13 Ca -0.04 0.13 -0.29 0.00 0.84 0.00 0.00 57.88 58.53 1utg h LEU 13 Cb 1.35 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 1utg h LEU 13 CO 0.14 -0.24 -1.40 -0.07 -0.34 0.00 0.00 178.44 176.53 1utg h LEU 14 N -0.19 0.34 -0.22 2.25 -0.00 -1.04 -3.41 115.31 113.05 1utg h LEU 14 Ca 0.15 -0.43 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 1utg h LEU 14 Cb 0.42 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1utg h LEU 14 CO -0.39 1.35 0.00 0.18 -0.00 0.00 0.00 178.44 179.58 1utg n LEU 15 N -3.44 0.22 0.00 1.67 4.77 0.05 -4.83 117.00 115.44 1utg n LEU 15 Ca -0.12 -0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 55.32 1utg n LEU 15 Cb 1.03 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.12 1utg n LEU 15 CO 0.51 0.05 0.06 0.61 -1.33 0.00 0.00 177.39 177.29 1utg n GLY 16 N 0.37 2.75 3.85 -0.72 0.00 -0.34 -4.99 105.19 106.11 1utg n GLY 16 Ca 0.00 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 1utg n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1utg s THR 17 N -1.37 4.56 0.32 2.61 -4.23 -1.26 -4.79 115.64 111.48 1utg s THR 17 Ca 0.19 1.15 0.08 0.00 -1.18 0.00 0.00 61.69 61.93 1utg s THR 17 Cb -0.02 -3.75 0.31 0.00 1.34 0.00 0.00 72.50 70.39 1utg s THR 17 CO 0.12 -0.78 1.78 -0.65 -0.54 0.00 0.00 174.62 174.55 1utg h PRO 18 N 0.66 0.68 0.03 3.99 0.11 -1.97 0.15 132.00 135.67 1utg h PRO 18 Ca -0.46 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1utg h PRO 18 Cb 1.19 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 1utg h PRO 18 CO 0.62 0.45 -0.44 0.77 -0.21 0.00 0.00 178.00 179.19 1utg h SER 19 N 0.70 -1.34 0.12 -2.05 0.02 -1.97 0.34 113.55 109.38 1utg h SER 19 Ca 0.57 0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 61.55 1utg h SER 19 Cb 0.97 0.52 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 1utg h SER 19 CO -0.36 -0.48 -0.45 0.28 -1.14 0.00 0.00 176.83 174.68 1utg h SER 20 N -0.62 0.43 -0.59 3.07 0.02 -1.68 -2.02 113.55 112.16 1utg h SER 20 Ca 0.03 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1utg h SER 20 Cb 0.68 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 1utg h SER 20 CO -0.31 0.82 0.37 0.22 -1.14 0.00 0.00 176.83 176.79 1utg h TYR 21 N 0.33 0.69 -0.02 3.45 3.20 -0.92 -1.64 116.97 122.06 1utg h TYR 21 Ca 0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1utg h TYR 21 Cb 0.92 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.96 1utg h TYR 21 CO 0.03 0.40 0.01 1.49 -1.64 0.00 0.00 178.16 178.45 1utg h GLU 22 N 0.73 0.02 -0.98 1.82 4.81 -0.40 -1.12 114.58 119.46 1utg h GLU 22 Ca 0.23 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 1utg h GLU 22 Cb -0.00 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 1utg h GLU 22 CO -0.09 0.05 0.63 1.79 -0.73 0.00 0.00 179.01 180.66 1utg h THR 23 N -0.01 1.06 -0.39 0.32 1.35 -1.19 -2.59 112.91 111.46 1utg h THR 23 Ca 0.01 -0.38 0.01 0.00 -0.55 0.00 0.00 66.41 65.49 1utg h THR 23 Cb 0.03 -0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 66.27 1utg h THR 23 CO -0.00 0.20 0.24 0.28 -0.25 0.00 0.00 175.52 176.00 1utg h SER 24 N 1.12 0.41 -0.79 5.36 0.02 -0.61 -3.07 113.55 115.99 1utg h SER 24 Ca 0.43 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.34 1utg h SER 24 Cb 0.22 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1utg h SER 24 CO -0.19 0.30 0.32 0.25 -1.14 0.00 0.00 176.83 176.37 1utg h LEU 25 N 0.50 1.08 -2.53 5.07 5.85 -0.85 -2.99 115.31 121.44 1utg h LEU 25 Ca 0.15 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1utg h LEU 25 Cb -0.03 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 1utg h LEU 25 CO -0.05 0.95 -0.00 0.07 -0.34 0.00 0.00 178.44 179.07 1utg h LYS 26 N 1.14 0.00 -0.95 1.25 5.09 -1.39 -0.00 116.57 121.71 1utg h LYS 26 Ca 0.26 0.00 0.14 0.00 0.09 0.00 0.00 60.65 61.14 1utg h LYS 26 Cb 0.20 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 32.44 1utg h LYS 26 CO -0.02 0.00 0.57 1.49 -2.09 0.00 0.00 179.45 179.40 1utg h GLU 27 N 0.00 0.82 -0.22 0.07 4.57 -1.59 -1.44 114.58 116.79 1utg h GLU 27 Ca -0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1utg h GLU 27 Cb 0.01 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1utg h GLU 27 CO 0.00 0.54 0.00 1.19 -1.18 0.00 0.00 179.01 179.56 1utg n PHE 28 N -4.72 0.22 -4.12 0.92 3.72 -0.01 -4.94 117.46 108.53 1utg n PHE 28 Ca 0.19 -0.11 -0.39 0.00 -0.05 0.00 0.00 57.45 57.09 1utg n PHE 28 Cb 0.41 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 1utg n PHE 28 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1utg n GLU 29 N -0.03 -0.77 -1.99 -1.08 1.02 -0.54 -4.90 120.64 112.35 1utg n GLU 29 Ca 0.05 0.13 -0.39 0.00 -0.02 0.00 0.00 57.16 56.92 1utg n GLU 29 Cb 0.16 -3.13 0.00 0.00 -0.02 0.00 0.00 31.44 28.44 1utg n GLU 29 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1utg s PRO 30 N -7.27 3.88 1.08 3.49 0.04 -1.26 -5.04 135.00 129.93 1utg s PRO 30 Ca 0.29 2.22 -0.17 0.00 0.04 0.00 0.00 61.00 63.38 1utg s PRO 30 Cb -0.15 -2.72 0.24 0.00 0.04 0.00 0.00 34.50 31.90 1utg s PRO 30 CO 0.97 -0.59 1.18 0.16 0.04 0.00 0.00 177.00 178.77 1utg s ASP 31 N -0.68 2.01 0.15 6.66 1.47 -1.26 -4.78 116.67 120.23 1utg s ASP 31 Ca 0.58 0.57 -0.11 0.00 1.18 0.00 0.00 52.55 54.77 1utg s ASP 31 Cb -0.39 -0.80 -0.02 0.00 -0.34 0.00 0.00 42.92 41.37 1utg s ASP 31 CO 0.51 -3.44 1.52 0.44 0.68 0.00 0.00 175.17 174.87 1utg h ASP 32 N -2.12 1.00 -0.47 2.11 3.45 -1.99 -1.61 116.42 116.80 1utg h ASP 32 Ca -0.46 -0.42 0.04 0.00 0.43 0.00 0.00 57.03 56.63 1utg h ASP 32 Cb 1.28 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 39.73 1utg h ASP 32 CO 0.40 1.21 0.22 0.74 -1.57 0.00 0.00 179.24 180.23 1utg h THR 33 N 0.80 0.94 -0.30 0.35 2.02 -1.99 0.73 112.91 115.46 1utg h THR 33 Ca 0.09 -0.15 -0.16 0.00 0.77 0.00 0.00 66.41 66.96 1utg h THR 33 Cb 0.86 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1utg h THR 33 CO 0.08 0.08 -0.45 0.24 0.37 0.00 0.00 175.52 175.83 1utg h MET 34 N 0.44 0.78 -0.34 6.66 2.86 -1.87 -0.78 114.93 122.68 1utg h MET 34 Ca 0.21 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1utg h MET 34 Cb 0.13 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1utg h MET 34 CO -0.16 1.06 0.08 -0.22 1.06 0.00 0.00 176.91 178.73 1utg h LYS 35 N 0.62 0.54 -0.58 1.72 3.64 -1.15 -0.90 116.57 120.46 1utg h LYS 35 Ca 0.04 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1utg h LYS 35 Cb 1.02 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1utg h LYS 35 CO 0.10 0.60 0.27 0.22 -2.27 0.00 0.00 179.45 178.37 1utg h ASP 36 N 0.39 0.77 -0.76 4.20 3.58 -0.69 -1.21 116.42 122.70 1utg h ASP 36 Ca 0.11 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1utg h ASP 36 Cb 0.31 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 1utg h ASP 36 CO 0.00 0.69 0.44 0.00 -2.88 0.00 0.00 179.24 177.50 1utg h ALA 37 N 1.11 1.32 -0.22 -0.78 0.00 -0.83 -0.69 119.26 119.17 1utg h ALA 37 Ca 0.20 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1utg h ALA 37 Cb 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1utg h ALA 37 CO -0.02 0.57 -0.49 0.78 0.00 0.00 0.00 179.25 180.08 1utg h GLY 38 N 1.10 0.65 2.00 0.00 0.00 -0.69 -0.76 103.07 105.37 1utg h GLY 38 Ca 0.28 -0.72 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1utg h GLY 38 CO -0.05 0.64 -0.63 -0.33 0.00 0.00 0.00 176.54 176.18 1utg h MET 39 N 0.47 0.00 -0.40 4.80 2.07 -0.79 -2.37 114.93 118.71 1utg h MET 39 Ca 0.02 0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.59 1utg h MET 39 Cb 1.03 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.75 1utg h MET 39 CO 0.10 0.63 -0.01 1.96 1.07 0.00 0.00 176.91 180.66 1utg h GLN 40 N 0.00 0.72 -0.52 1.72 4.20 -0.46 -1.46 115.11 119.30 1utg h GLN 40 Ca -0.01 -0.23 0.07 0.00 0.06 0.00 0.00 58.65 58.54 1utg h GLN 40 Cb 1.15 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.81 1utg h GLN 40 CO 0.08 0.81 0.20 1.98 -0.67 0.00 0.00 178.83 181.23 1utg h MET 41 N 0.54 0.38 -0.60 1.46 4.05 -0.96 -2.48 114.93 117.33 1utg h MET 41 Ca 0.11 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.54 1utg h MET 41 Cb 0.49 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 1utg h MET 41 CO 0.02 0.25 0.36 -0.22 0.23 0.00 0.00 176.91 177.55 1utg h LYS 42 N 0.39 0.68 -0.63 0.39 1.63 -1.15 -0.48 116.57 117.40 1utg h LYS 42 Ca 0.25 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.98 1utg h LYS 42 Cb 0.26 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 1utg h LYS 42 CO -0.24 0.45 0.28 -0.22 -3.45 0.00 0.00 179.45 176.27 1utg h LYS 43 N 0.70 0.92 0.04 1.90 3.64 -0.82 0.98 116.57 123.92 1utg h LYS 43 Ca 0.24 -0.15 -0.26 0.00 -1.27 0.00 0.00 60.65 59.22 1utg h LYS 43 Cb 0.05 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1utg h LYS 43 CO -0.11 0.75 -1.08 -0.39 -2.27 0.00 0.00 179.45 176.36 1utg h VAL 44 N 0.87 1.35 -0.35 2.00 -1.51 -1.29 -3.09 116.25 114.24 1utg h VAL 44 Ca 0.21 -2.47 -0.07 0.00 -1.23 0.00 0.00 66.70 63.15 1utg h VAL 44 Cb 0.16 2.53 -0.02 0.00 -2.13 0.00 0.00 31.29 31.83 1utg h VAL 44 CO -0.02 0.74 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.92 1utg h LEU 45 N 0.27 0.55 -0.91 4.19 3.38 -0.61 -1.53 115.31 120.65 1utg h LEU 45 Ca -0.12 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1utg h LEU 45 Cb 1.73 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1utg h LEU 45 CO 0.20 0.67 0.00 0.47 0.09 0.00 0.00 178.44 179.86 1utg n ASP 46 N -4.22 0.40 0.23 -0.43 10.43 0.30 -1.41 116.55 121.85 1utg n ASP 46 Ca 0.01 0.67 0.13 0.00 2.57 0.00 0.00 54.79 58.17 1utg n ASP 46 Cb 0.30 -0.73 0.41 0.00 1.84 0.00 0.00 41.12 42.94 1utg n ASP 46 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 1utg h SER 47 N 0.00 0.00 -3.95 -2.24 4.64 -1.31 -3.45 113.55 107.24 1utg h SER 47 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1utg h SER 47 Cb 0.05 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1utg h SER 47 CO 0.00 0.10 0.41 -0.76 -0.87 0.00 0.00 176.83 175.71 1utg s LEU 48 N -6.35 4.18 0.71 5.97 2.01 -0.50 -5.01 118.68 119.69 1utg s LEU 48 Ca 0.03 2.02 -0.16 0.00 0.01 0.00 0.00 54.13 56.03 1utg s LEU 48 Cb 0.08 -4.14 0.02 0.00 0.01 0.00 0.00 46.19 42.16 1utg s LEU 48 CO 0.62 -0.42 1.22 -2.65 1.01 0.00 0.00 176.35 176.14 1utg n PRO 49 N 0.07 0.71 -0.13 1.29 -0.02 -1.26 -4.83 135.00 130.82 1utg n PRO 49 Ca 0.04 0.31 -0.04 0.00 -2.02 0.00 0.00 63.50 61.79 1utg n PRO 49 Cb 0.49 -2.46 0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1utg n PRO 49 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1utg h GLN 50 N -0.07 -0.03 -0.72 -0.52 4.15 -1.95 -2.19 115.11 113.78 1utg h GLN 50 Ca -0.49 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.02 1utg h GLN 50 Cb 1.33 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.95 1utg h GLN 50 CO 0.50 -0.02 0.37 1.15 -1.93 0.00 0.00 178.83 178.90 1utg h THR 51 N -0.03 0.88 -0.05 2.39 2.02 -1.99 0.62 112.91 116.75 1utg h THR 51 Ca 0.21 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1utg h THR 51 Cb 0.35 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1utg h THR 51 CO -0.46 0.12 0.02 0.74 0.37 0.00 0.00 175.52 176.31 1utg h THR 52 N 0.64 1.11 -0.76 3.16 2.02 -1.81 -0.36 112.91 116.91 1utg h THR 52 Ca 0.34 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1utg h THR 52 Cb 0.33 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1utg h THR 52 CO -0.25 0.09 0.30 0.03 0.37 0.00 0.00 175.52 176.07 1utg h ARG 53 N -0.04 1.14 -0.46 6.66 3.08 -0.95 -0.59 114.38 123.21 1utg h ARG 53 Ca 0.02 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 59.91 1utg h ARG 53 Cb 0.13 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 1utg h ARG 53 CO -0.00 0.93 0.20 0.93 -1.07 0.00 0.00 179.97 180.96 1utg h GLU 54 N 1.10 0.40 -0.14 0.04 5.08 -0.64 -1.34 114.58 119.07 1utg h GLU 54 Ca 0.25 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.50 1utg h GLU 54 Cb 0.22 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1utg h GLU 54 CO -0.02 0.26 -0.30 -0.91 -1.00 0.00 0.00 179.01 177.04 1utg h ASN 55 N 0.41 0.26 -0.53 1.42 2.35 -0.57 -0.79 115.58 118.13 1utg h ASN 55 Ca 0.21 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1utg h ASN 55 Cb 0.16 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1utg h ASN 55 CO -0.18 0.56 0.03 0.40 -1.65 0.00 0.00 177.43 176.60 1utg h ILE 56 N 0.23 1.26 0.01 2.81 2.04 -0.56 0.51 117.51 123.81 1utg h ILE 56 Ca 0.03 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1utg h ILE 56 Cb 0.66 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1utg h ILE 56 CO 0.05 0.38 -0.05 -0.03 0.00 0.00 0.00 178.15 178.49 1utg h MET 57 N 0.80 -0.09 -0.93 2.37 4.05 -0.73 0.35 114.93 120.74 1utg h MET 57 Ca 0.15 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.65 1utg h MET 57 Cb 0.49 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.25 1utg h MET 57 CO 0.02 -0.06 0.60 0.87 0.23 0.00 0.00 176.91 178.58 1utg h LYS 58 N -0.09 1.02 -0.48 0.39 1.57 -0.93 0.58 116.57 118.62 1utg h LYS 58 Ca 0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1utg h LYS 58 Cb 0.12 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1utg h LYS 58 CO -0.05 0.67 0.19 1.25 -0.57 0.00 0.00 179.45 180.95 1utg h LEU 59 N 1.05 0.67 -0.54 2.94 5.85 -0.49 -1.14 115.31 123.66 1utg h LEU 59 Ca 0.41 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1utg h LEU 59 Cb 0.23 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1utg h LEU 59 CO -0.16 0.65 0.23 0.74 -0.34 0.00 0.00 178.44 179.56 1utg h THR 60 N 0.64 1.21 -0.11 1.05 2.02 0.27 -0.85 112.91 117.15 1utg h THR 60 Ca 0.16 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.65 1utg h THR 60 Cb 0.19 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1utg h THR 60 CO -0.01 0.25 -0.20 1.05 0.37 0.00 0.00 175.52 176.97 1utg h GLU 61 N 0.72 0.18 -0.12 6.66 4.11 -0.59 -1.49 114.58 124.06 1utg h GLU 61 Ca 0.18 -0.05 -0.13 0.00 0.07 0.00 0.00 59.36 59.43 1utg h GLU 61 Cb 0.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1utg h GLU 61 CO -0.02 0.38 -0.49 -0.22 0.07 0.00 0.00 179.01 178.73 1utg h LYS 62 N 0.17 0.32 -0.01 1.06 3.64 0.09 -2.05 116.57 119.79 1utg h LYS 62 Ca 0.03 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1utg h LYS 62 Cb 0.46 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1utg h LYS 62 CO 0.03 0.74 -0.00 0.82 -2.27 0.00 0.00 179.45 178.77 1utg h ILE 63 N 0.25 1.33 0.00 2.00 2.04 -0.82 -2.44 117.51 119.88 1utg h ILE 63 Ca 0.01 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1utg h ILE 63 Cb 0.96 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1utg h ILE 63 CO 0.08 0.26 0.00 1.33 0.00 0.00 0.00 178.15 179.82 1utg n VAL 64 N -4.88 0.85 0.29 1.67 0.24 -0.60 -2.88 118.33 113.02 1utg n VAL 64 Ca -0.08 0.25 0.04 0.00 -2.04 0.00 0.00 64.34 62.51 1utg n VAL 64 Cb 0.22 -1.18 0.03 0.00 -1.47 0.00 0.00 33.84 31.45 1utg n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1utg n LYS 65 N -2.19 0.12 -1.55 7.34 5.02 -0.79 -4.64 118.16 121.46 1utg n LYS 65 Ca 0.02 -0.97 -0.40 0.00 -2.02 0.00 0.00 58.31 54.94 1utg n LYS 65 Cb 0.22 -1.14 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 1utg n LYS 65 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1utg n SER 66 N 0.41 0.34 -0.08 4.39 2.88 -0.92 -4.92 113.62 115.71 1utg n SER 66 Ca 0.04 0.91 0.15 0.00 -1.33 0.00 0.00 58.87 58.65 1utg n SER 66 Cb 0.19 -1.28 0.55 0.00 -0.75 0.00 0.00 64.21 62.92 1utg n SER 66 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1utg h PRO 67 N 0.96 0.29 0.00 -1.46 0.11 -1.91 -1.10 132.00 128.90 1utg h PRO 67 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1utg h PRO 67 Cb 1.37 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1utg h PRO 67 CO 0.53 0.19 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.42 1utg h LEU 68 N 0.30 0.00 -2.57 2.35 3.38 -1.91 -2.49 115.31 114.38 1utg h LEU 68 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1utg h LEU 68 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1utg h LEU 68 CO -0.07 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.48