#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avu n SER 4 N 0.00 0.00 -0.28 1.09 2.88 -1.26 -3.98 113.62 112.08 2avu n SER 4 Ca 0.00 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.76 2avu n SER 4 Cb 0.00 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 63.82 2avu n SER 4 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2avu n GLU 5 N 0.00 -0.01 -2.19 -1.46 0.28 -1.26 0.26 120.64 116.27 2avu n GLU 5 Ca 0.00 0.56 -0.39 0.00 -0.16 0.00 0.00 57.16 57.17 2avu n GLU 5 Cb 0.00 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 31.69 2avu n GLU 5 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2avu n LEU 6 N -3.29 7.57 0.00 -1.84 4.77 -1.26 -1.30 117.00 121.66 2avu n LEU 6 Ca 0.20 -5.00 0.00 0.00 -0.03 0.00 0.00 56.01 51.19 2avu n LEU 6 Cb 0.85 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2avu n LEU 6 CO 0.15 1.99 0.00 -0.11 -1.33 0.00 0.00 177.39 178.09 2avu n LEU 7 N 0.71 0.00 -0.17 2.23 7.94 0.74 -4.78 117.00 123.67 2avu n LEU 7 Ca 0.54 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 55.36 2avu n LEU 7 Cb 0.28 0.04 0.01 0.00 0.53 0.00 0.00 43.42 44.28 2avu n LEU 7 CO 0.57 -0.04 0.95 0.50 -1.11 0.00 0.00 177.39 178.26 2avu h LYS 8 N 0.00 0.73 0.58 1.96 3.64 -1.12 -1.52 116.57 120.84 2avu h LYS 8 Ca 0.00 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 2avu h LYS 8 Cb 0.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2avu h LYS 8 CO 0.00 0.66 -0.29 0.45 -2.27 0.00 0.00 179.45 178.00 2avu h HIS 9 N 0.65 -0.75 -0.90 1.91 3.86 -1.46 -0.38 115.15 118.08 2avu h HIS 9 Ca 0.16 -0.02 0.20 0.00 -1.16 0.00 0.00 60.37 59.56 2avu h HIS 9 Cb 0.20 0.25 -0.12 0.00 1.06 0.00 0.00 27.41 28.81 2avu h HIS 9 CO 0.00 -0.46 0.44 0.82 0.86 0.00 0.00 177.93 179.59 2avu h ILE 10 N -0.79 0.56 0.23 2.45 5.03 -1.80 -0.75 117.51 122.44 2avu h ILE 10 Ca -0.08 -0.17 -0.01 0.00 -0.12 0.00 0.00 64.86 64.48 2avu h ILE 10 Cb 0.61 0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.43 2avu h ILE 10 CO 0.12 0.09 -0.11 0.22 -0.68 0.00 0.00 178.15 177.79 2avu h TYR 11 N 0.50 -0.29 -0.07 1.37 3.20 -0.86 0.35 116.97 121.17 2avu h TYR 11 Ca 0.54 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.45 2avu h TYR 11 Cb 0.96 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 2avu h TYR 11 CO -0.10 -0.09 -0.30 -0.44 -1.64 0.00 0.00 178.16 175.59 2avu h ASP 12 N -0.43 -0.91 -0.38 -2.11 3.45 0.07 0.64 116.42 116.76 2avu h ASP 12 Ca -0.03 0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.55 2avu h ASP 12 Cb 0.32 0.38 -0.02 0.00 -0.56 0.00 0.00 39.33 39.46 2avu h ASP 12 CO 0.05 -0.35 0.23 -0.29 -1.57 0.00 0.00 179.24 177.31 2avu h ILE 13 N -0.41 1.12 0.25 0.35 6.09 -1.14 0.33 117.51 124.11 2avu h ILE 13 Ca 0.08 -0.29 -0.01 0.00 -1.37 0.00 0.00 64.86 63.27 2avu h ILE 13 Cb 0.53 0.57 0.00 0.00 0.47 0.00 0.00 36.82 38.39 2avu h ILE 13 CO -0.30 0.13 -0.12 0.78 -3.07 0.00 0.00 178.15 175.56 2avu h ASN 14 N 0.55 -0.29 -0.29 2.19 -0.26 0.35 0.14 115.58 117.97 2avu h ASN 14 Ca 0.14 -0.22 0.02 0.00 -0.56 0.00 0.00 56.30 55.68 2avu h ASN 14 Cb -0.00 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 2avu h ASN 14 CO -0.03 0.10 0.15 0.25 -1.06 0.00 0.00 177.43 176.84 2avu h LEU 15 N -0.71 0.23 -0.43 1.61 5.85 -0.70 0.24 115.31 121.41 2avu h LEU 15 Ca -0.03 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.78 2avu h LEU 15 Cb 0.49 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.40 2avu h LEU 15 CO 0.06 0.17 -0.08 -1.28 -0.34 0.00 0.00 178.44 176.97 2avu h SER 16 N 0.32 -0.35 0.02 1.25 0.87 -0.32 0.78 113.55 116.12 2avu h SER 16 Ca 0.12 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2avu h SER 16 Cb 0.03 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2avu h SER 16 CO -0.07 -0.12 -0.01 0.22 -0.53 0.00 0.00 176.83 176.31 2avu h TYR 17 N 0.02 -0.03 -0.91 2.24 3.20 -0.42 -1.77 116.97 119.30 2avu h TYR 17 Ca 0.21 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.18 2avu h TYR 17 Cb 0.31 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.51 2avu h TYR 17 CO -0.35 0.04 0.54 -0.07 -1.64 0.00 0.00 178.16 176.68 2avu h LEU 18 N -0.09 0.79 -0.11 2.82 3.38 -0.11 -0.00 115.31 121.99 2avu h LEU 18 Ca -0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2avu h LEU 18 Cb 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2avu h LEU 18 CO 0.01 0.43 0.02 -0.07 0.09 0.00 0.00 178.44 178.92 2avu h LEU 19 N 0.88 0.16 -0.29 1.67 3.38 -0.66 -2.06 115.31 118.39 2avu h LEU 19 Ca 0.44 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.21 2avu h LEU 19 Cb 0.42 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2avu h LEU 19 CO -0.26 0.36 0.08 0.25 0.09 0.00 0.00 178.44 178.96 2avu h LEU 20 N -0.04 0.06 -1.23 1.67 5.85 -0.61 0.11 115.31 121.13 2avu h LEU 20 Ca 0.03 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2avu h LEU 20 Cb 0.27 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 2avu h LEU 20 CO 0.00 0.07 0.56 0.00 -0.34 0.00 0.00 178.44 178.73 2avu h ALA 21 N 1.20 1.64 -0.40 1.25 0.00 -0.94 0.54 119.26 122.56 2avu h ALA 21 Ca 0.13 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2avu h ALA 21 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2avu h ALA 21 CO -0.16 0.19 -0.11 0.37 0.00 0.00 0.00 179.25 179.54 2avu h GLN 22 N 0.87 0.78 -0.15 0.00 4.15 -0.47 -0.29 115.11 120.00 2avu h GLN 22 Ca 0.40 -0.30 0.01 0.00 0.77 0.00 0.00 58.65 59.53 2avu h GLN 22 Cb 0.37 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 2avu h GLN 22 CO -0.16 0.92 0.05 -0.09 -1.93 0.00 0.00 178.83 177.61 2avu h ARG 23 N 0.59 0.12 -0.19 1.69 2.43 0.94 -2.24 114.38 117.72 2avu h ARG 23 Ca 0.10 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2avu h ARG 23 Cb 0.64 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2avu h ARG 23 CO 0.04 0.08 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.31 2avu h LEU 24 N 0.12 0.33 -0.42 3.80 4.07 -0.86 -2.75 115.31 119.60 2avu h LEU 24 Ca 0.06 -0.09 -0.09 0.00 0.08 0.00 0.00 57.88 57.85 2avu h LEU 24 Cb 0.04 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 2avu h LEU 24 CO -0.07 0.55 -0.08 0.40 -1.08 0.00 0.00 178.44 178.16 2avu h ILE 25 N 0.31 1.27 -0.07 1.22 2.04 -0.53 -1.93 117.51 119.83 2avu h ILE 25 Ca 0.05 -1.17 -0.08 0.00 1.00 0.00 0.00 64.86 64.66 2avu h ILE 25 Cb 0.54 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2avu h ILE 25 CO 0.04 0.40 -0.34 -0.37 0.00 0.00 0.00 178.15 177.87 2avu h VAL 26 N 0.62 1.27 -0.27 1.67 -1.51 -1.33 -2.72 116.25 113.98 2avu h VAL 26 Ca 0.11 -1.28 -0.08 0.00 -1.23 0.00 0.00 66.70 64.21 2avu h VAL 26 Cb 0.61 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 2avu h VAL 26 CO 0.04 0.38 -0.15 -0.61 -1.23 0.00 0.00 177.57 175.99 2avu h GLN 27 N 0.11 0.59 -0.48 5.19 4.15 -1.30 -3.44 115.11 119.92 2avu h GLN 27 Ca 0.01 -0.26 0.18 0.00 0.77 0.00 0.00 58.65 59.35 2avu h GLN 27 Cb 0.67 -0.01 -0.20 0.00 0.21 0.00 0.00 27.48 28.14 2avu h GLN 27 CO 0.05 0.84 -0.04 0.34 -1.93 0.00 0.00 178.83 178.08 2avu s ASP 28 N -6.29 -0.73 0.23 -0.69 -1.08 -0.74 -5.05 116.67 102.31 2avu s ASP 28 Ca -0.13 0.26 -0.08 0.00 -0.52 0.00 0.00 52.55 52.08 2avu s ASP 28 Cb 0.08 1.53 0.24 0.00 -1.46 0.00 0.00 42.92 43.31 2avu s ASP 28 CO 0.79 -0.13 1.87 0.50 0.52 0.00 0.00 175.17 178.71 2avu h LYS 29 N 7.74 0.96 0.04 4.34 3.64 -1.69 -1.41 116.57 130.19 2avu h LYS 29 Ca -0.11 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2avu h LYS 29 Cb 1.18 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 2avu h LYS 29 CO -0.02 0.64 -0.46 0.00 -2.27 0.00 0.00 179.45 177.34 2avu h ALA 30 N 1.34 -0.91 0.04 5.00 0.00 -1.94 0.31 119.26 123.11 2avu h ALA 30 Ca 0.32 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2avu h ALA 30 Cb 0.02 0.88 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2avu h ALA 30 CO -0.12 -1.04 -0.02 0.77 0.00 0.00 0.00 179.25 178.84 2avu h SER 31 N -0.61 -0.04 -0.87 0.00 0.02 -1.93 -2.73 113.55 107.39 2avu h SER 31 Ca 0.00 -0.09 0.23 0.00 -0.84 0.00 0.00 61.79 61.10 2avu h SER 31 Cb 0.64 0.01 -0.14 0.00 0.14 0.00 0.00 62.40 63.05 2avu h SER 31 CO -0.29 0.06 0.20 0.00 -1.14 0.00 0.00 176.83 175.66 2avu h ALA 32 N 0.82 1.23 -0.64 3.77 0.00 -0.99 0.85 119.26 124.29 2avu h ALA 32 Ca -0.01 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2avu h ALA 32 Cb 0.13 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2avu h ALA 32 CO 0.01 -0.47 0.36 0.52 0.00 0.00 0.00 179.25 179.67 2avu h MET 33 N 0.18 0.87 0.06 0.00 2.86 -0.07 -1.37 114.93 117.47 2avu h MET 33 Ca 0.54 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 58.10 2avu h MET 33 Cb 1.09 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2avu h MET 33 CO -0.67 0.63 -0.03 0.35 1.06 0.00 0.00 176.91 178.25 2avu h PHE 34 N 0.88 -0.08 -1.13 -0.22 3.04 0.58 -0.85 116.94 119.16 2avu h PHE 34 Ca 0.23 -0.00 0.39 0.00 3.98 0.00 0.00 57.97 62.56 2avu h PHE 34 Cb -0.00 0.03 -0.15 0.00 2.56 0.00 0.00 35.95 38.39 2avu h PHE 34 CO 0.00 -0.05 0.68 0.00 -2.02 0.00 0.00 178.31 176.93 2avu h ARG 35 N -0.60 0.15 0.00 1.11 3.08 -0.11 -0.68 114.38 117.33 2avu h ARG 35 Ca -0.01 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 2avu h ARG 35 Cb 0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2avu h ARG 35 CO 0.01 0.10 -1.76 1.28 -1.07 0.00 0.00 179.97 178.53 2avu n LEU 36 N -4.94 0.33 -1.73 3.04 4.77 -0.52 -5.04 117.00 112.92 2avu n LEU 36 Ca 0.35 0.14 -0.03 0.00 -0.03 0.00 0.00 56.01 56.44 2avu n LEU 36 Cb 1.23 0.09 0.01 0.00 -2.33 0.00 0.00 43.42 42.43 2avu n LEU 36 CO 0.13 0.08 0.01 0.61 -1.33 0.00 0.00 177.39 176.89 2avu n GLY 37 N 1.36 0.50 3.16 -0.72 0.00 -0.26 -5.06 105.19 104.17 2avu n GLY 37 Ca -0.10 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 2avu n GLY 37 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2avu s ILE 38 N -3.07 0.13 0.87 -0.61 -4.36 -0.45 -5.04 121.20 108.67 2avu s ILE 38 Ca 0.07 -1.08 -0.13 0.00 -0.26 0.00 0.00 60.65 59.24 2avu s ILE 38 Cb -0.01 -1.04 0.13 0.00 1.25 0.00 0.00 42.46 42.80 2avu s ILE 38 CO 0.13 -0.60 1.23 0.54 0.24 0.00 0.00 174.94 176.49 2avu s ASN 39 N -2.32 3.90 0.24 4.36 2.20 -1.26 -4.61 114.94 117.45 2avu s ASN 39 Ca -0.02 0.52 -0.04 0.00 -0.94 0.00 0.00 52.86 52.38 2avu s ASN 39 Cb 0.01 -0.82 0.26 0.00 -2.00 0.00 0.00 41.25 38.70 2avu s ASN 39 CO -0.06 -2.26 1.77 -0.08 -2.94 0.00 0.00 177.10 173.53 2avu h GLU 40 N -1.29 0.97 -0.78 3.55 4.81 -1.97 -2.28 114.58 117.59 2avu h GLU 40 Ca -0.45 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 58.51 2avu h GLU 40 Cb 1.29 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2avu h GLU 40 CO 0.53 0.87 0.31 0.93 -0.73 0.00 0.00 179.01 180.92 2avu h GLU 41 N 0.92 1.17 0.82 1.92 5.08 -1.99 -0.24 114.58 122.26 2avu h GLU 41 Ca 0.19 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2avu h GLU 41 Cb 0.35 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2avu h GLU 41 CO 0.00 0.95 -0.40 1.98 -1.00 0.00 0.00 179.01 180.54 2avu h MET 42 N 1.13 -1.07 -0.97 2.33 4.05 -1.88 -0.98 114.93 117.54 2avu h MET 42 Ca 0.26 0.07 0.23 0.00 -0.28 0.00 0.00 59.70 59.98 2avu h MET 42 Cb 0.22 0.24 -0.12 0.00 -0.80 0.00 0.00 31.60 31.14 2avu h MET 42 CO -0.02 -0.72 0.54 0.00 0.23 0.00 0.00 176.91 176.94 2avu h ALA 43 N -0.93 1.68 -0.11 0.39 0.00 -1.23 0.73 119.26 119.78 2avu h ALA 43 Ca -0.11 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2avu h ALA 43 Cb 0.86 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2avu h ALA 43 CO 0.18 -0.27 0.04 1.15 0.00 0.00 0.00 179.25 180.35 2avu h THR 44 N 0.55 1.14 0.00 0.00 2.02 -0.64 -2.15 112.91 113.83 2avu h THR 44 Ca 0.61 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 2avu h THR 44 Cb 1.15 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 2avu h THR 44 CO -0.48 0.13 -0.30 0.74 0.37 0.00 0.00 175.52 175.98 2avu h THR 45 N 0.02 1.21 -0.02 3.16 2.02 0.41 -2.65 112.91 117.07 2avu h THR 45 Ca 0.04 -1.03 -0.21 0.00 0.77 0.00 0.00 66.41 65.99 2avu h THR 45 Cb 0.16 1.55 0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2avu h THR 45 CO -0.00 0.29 -0.79 -0.07 0.37 0.00 0.00 175.52 175.32 2avu h LEU 46 N 0.00 0.73 -1.23 2.58 3.38 -0.85 -2.99 115.31 116.93 2avu h LEU 46 Ca -0.00 -0.73 0.01 0.00 0.09 0.00 0.00 57.88 57.25 2avu h LEU 46 Cb 0.53 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2avu h LEU 46 CO 0.04 1.36 0.53 0.00 0.09 0.00 0.00 178.44 180.46 2avu h ALA 47 N 0.38 1.45 -0.72 1.53 0.00 -1.29 -2.51 119.26 118.10 2avu h ALA 47 Ca -0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2avu h ALA 47 Cb 1.47 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2avu h ALA 47 CO 0.16 0.50 0.45 0.00 0.00 0.00 0.00 179.25 180.36 2avu h ALA 48 N 1.51 0.92 -1.78 0.00 0.00 -1.45 -3.46 119.26 115.00 2avu h ALA 48 Ca 0.30 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.60 2avu h ALA 48 Cb -0.10 -0.29 0.17 0.00 0.00 0.00 0.00 17.79 17.57 2avu h ALA 48 CO -0.07 0.37 -1.11 1.28 0.00 0.00 0.00 179.25 179.73 2avu n LEU 49 N -4.54 -3.52 -4.48 0.00 4.77 -0.95 -5.01 117.00 103.27 2avu n LEU 49 Ca 0.06 0.53 -0.28 0.00 -0.03 0.00 0.00 56.01 56.30 2avu n LEU 49 Cb 0.04 -0.75 -0.11 0.00 -2.33 0.00 0.00 43.42 40.28 2avu n LEU 49 CO 0.37 -4.40 -0.49 0.42 -1.33 0.00 0.00 177.39 171.95 2avu s THR 50 N -1.78 2.72 0.26 -5.08 -4.23 -1.26 -4.95 115.64 101.32 2avu s THR 50 Ca 0.49 -1.70 -0.11 0.00 -1.18 0.00 0.00 61.69 59.18 2avu s THR 50 Cb -0.41 -2.28 0.38 0.00 1.34 0.00 0.00 72.50 71.54 2avu s THR 50 CO 0.61 -0.00 1.56 -0.07 -0.54 0.00 0.00 174.62 176.17 2avu h LEU 51 N 3.44 -1.09 -0.54 4.79 3.38 -1.99 0.88 115.31 124.18 2avu h LEU 51 Ca -0.48 0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2avu h LEU 51 Cb 1.19 0.66 -0.04 0.00 0.09 0.00 0.00 40.66 42.56 2avu h LEU 51 CO 0.47 -0.31 0.31 -0.65 0.09 0.00 0.00 178.44 178.35 2avu h PRO 52 N -0.00 0.59 -0.63 1.13 0.11 -1.99 -1.03 132.00 130.17 2avu h PRO 52 Ca 0.43 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.49 2avu h PRO 52 Cb 0.68 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 2avu h PRO 52 CO -1.01 0.39 0.33 1.96 -0.21 0.00 0.00 178.00 179.46 2avu h GLN 53 N 0.60 0.88 -0.20 1.05 4.20 0.18 -2.16 115.11 119.67 2avu h GLN 53 Ca 0.22 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2avu h GLN 53 Cb 0.07 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2avu h GLN 53 CO -0.12 0.66 0.00 0.52 -0.67 0.00 0.00 178.83 179.22 2avu h MET 54 N 0.88 0.35 -0.08 1.46 2.86 0.15 -2.02 114.93 118.53 2avu h MET 54 Ca 0.22 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2avu h MET 54 Cb 0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2avu h MET 54 CO -0.03 0.55 0.13 0.28 1.06 0.00 0.00 176.91 178.89 2avu h VAL 55 N 0.11 0.32 -0.03 -2.22 2.07 -0.84 0.15 116.25 115.81 2avu h VAL 55 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2avu h VAL 55 Cb 0.39 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2avu h VAL 55 CO 0.01 0.00 -0.04 0.11 0.02 0.00 0.00 177.57 177.67 2avu h LYS 56 N 0.00 0.08 -0.57 1.57 1.57 -0.74 -2.56 116.57 115.92 2avu h LYS 56 Ca 0.04 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2avu h LYS 56 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2avu h LYS 56 CO -0.00 0.59 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.40 2avu h LEU 57 N -0.43 0.96 -0.80 2.94 3.38 -0.71 -3.19 115.31 117.45 2avu h LEU 57 Ca 0.00 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2avu h LEU 57 Cb 0.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2avu h LEU 57 CO 0.01 1.01 -0.47 0.00 0.09 0.00 0.00 178.44 179.08 2avu h ALA 58 N 1.08 0.95 0.00 1.53 0.00 -0.86 -3.38 119.26 118.59 2avu h ALA 58 Ca 0.16 -0.43 -0.69 0.00 0.00 0.00 0.00 54.91 53.95 2avu h ALA 58 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2avu h ALA 58 CO 0.03 0.59 3.34 -1.91 0.00 0.00 0.00 179.25 181.30 2avu n GLU 59 N -3.59 3.07 -4.39 0.00 2.13 -0.97 -4.50 120.64 112.40 2avu n GLU 59 Ca -0.00 -2.43 -0.20 0.00 0.66 0.00 0.00 57.16 55.18 2avu n GLU 59 Cb 0.57 -3.11 -0.09 0.00 0.27 0.00 0.00 31.44 29.08 2avu n GLU 59 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2avu s THR 60 N 2.93 0.53 -0.62 6.31 -1.32 -1.26 -5.03 115.64 117.18 2avu s THR 60 Ca 0.55 -2.00 0.15 0.00 -1.21 0.00 0.00 61.69 59.18 2avu s THR 60 Cb 0.15 -2.53 0.57 0.00 -1.51 0.00 0.00 72.50 69.18 2avu s THR 60 CO -0.07 0.00 1.48 -0.46 -2.21 0.00 0.00 174.62 173.36 2avu n ASN 61 N -0.93 4.12 -4.37 8.08 6.94 -1.26 -4.63 115.26 123.21 2avu n ASN 61 Ca -0.01 -2.62 -0.29 0.00 -0.02 0.00 0.00 54.58 51.64 2avu n ASN 61 Cb 0.65 -0.50 -0.13 0.00 -2.36 0.00 0.00 39.78 37.44 2avu n ASN 61 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2avu s GLN 62 N -2.13 1.45 0.55 -3.83 -0.21 -1.26 -5.06 119.66 109.17 2avu s GLN 62 Ca 0.42 -1.28 -0.17 0.00 0.02 0.00 0.00 55.36 54.34 2avu s GLN 62 Cb 0.30 -1.86 -0.06 0.00 1.00 0.00 0.00 33.01 32.39 2avu s GLN 62 CO 0.16 0.45 1.04 -0.51 -2.12 0.00 0.00 175.29 174.30 2avu s LEU 63 N -1.88 3.60 0.00 2.90 2.01 -1.26 -4.94 118.68 119.11 2avu s LEU 63 Ca 0.13 1.80 0.25 0.00 0.01 0.00 0.00 54.13 56.31 2avu s LEU 63 Cb -0.10 -4.53 0.50 0.00 0.01 0.00 0.00 46.19 42.06 2avu s LEU 63 CO 0.05 -0.97 1.43 1.33 1.01 0.00 0.00 176.35 179.21 2avu n VAL 64 N -1.69 0.05 -4.11 -1.59 0.24 -1.26 -4.93 118.33 105.04 2avu n VAL 64 Ca 0.08 -0.44 -0.14 0.00 -2.04 0.00 0.00 64.34 61.80 2avu n VAL 64 Cb 0.53 1.10 -0.11 0.00 -1.47 0.00 0.00 33.84 33.89 2avu n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2avu s HIS 66 N -1.54 2.89 -0.43 0.00 3.76 -1.26 -5.05 115.29 113.67 2avu s HIS 66 Ca -0.06 -0.03 -0.24 0.00 -0.15 0.00 0.00 55.06 54.59 2avu s HIS 66 Cb -0.09 -2.66 0.02 0.00 1.11 0.00 0.00 32.58 30.96 2avu s HIS 66 CO 0.01 -0.76 0.82 0.12 -0.85 0.00 0.00 174.74 174.07 2avu s PHE 67 N -2.69 3.01 0.00 1.40 5.36 -1.26 -4.97 117.98 118.83 2avu s PHE 67 Ca 0.56 0.33 -0.01 0.00 -0.96 0.00 0.00 56.93 56.85 2avu s PHE 67 Cb -0.10 -3.67 -0.00 0.00 -0.34 0.00 0.00 43.02 38.91 2avu s PHE 67 CO 0.38 -0.94 0.95 -2.13 -1.46 0.00 0.00 175.22 172.02 2avu n ARG 68 N 6.75 -0.01 -0.44 10.12 0.63 -1.26 -2.20 116.66 130.24 2avu n ARG 68 Ca 0.03 0.95 -0.07 0.00 -0.92 0.00 0.00 57.85 57.85 2avu n ARG 68 Cb 0.48 -1.43 -0.06 0.00 0.45 0.00 0.00 32.46 31.90 2avu n ARG 68 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2avu n PHE 69 N -3.00 0.19 0.00 -0.14 3.72 -1.26 -4.77 117.46 112.20 2avu n PHE 69 Ca 0.00 -0.81 0.00 0.00 -0.05 0.00 0.00 57.45 56.59 2avu n PHE 69 Cb 0.01 -0.99 0.00 0.00 -0.94 0.00 0.00 39.48 37.55 2avu n PHE 69 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2avu n ASP 70 N 3.08 0.00 -0.49 4.37 5.68 -0.93 -3.96 116.55 124.30 2avu n ASP 70 Ca 0.21 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.43 2avu n ASP 70 Cb 0.33 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.30 2avu n ASP 70 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2avu n SER 71 N 0.00 0.12 0.31 -1.12 2.88 -1.26 -4.57 113.62 109.98 2avu n SER 71 Ca 0.00 0.12 0.18 0.00 -1.33 0.00 0.00 58.87 57.84 2avu n SER 71 Cb 0.00 -0.09 1.03 0.00 -0.75 0.00 0.00 64.21 64.40 2avu n SER 71 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2avu h HIS 72 N 0.54 0.00 0.00 0.66 3.86 -2.00 0.45 115.15 118.65 2avu h HIS 72 Ca -0.04 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.01 2avu h HIS 72 Cb 0.14 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 2avu h HIS 72 CO 0.07 0.00 -0.76 0.37 0.86 0.00 0.00 177.93 178.47 2avu h GLN 73 N 0.00 0.00 0.00 2.45 4.15 -1.91 -2.81 115.11 116.98 2avu h GLN 73 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 2avu h GLN 73 Cb 0.01 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2avu h GLN 73 CO 0.00 0.76 -0.54 1.15 -1.93 0.00 0.00 178.83 178.27 2avu h THR 74 N 0.00 1.26 -0.55 2.39 2.02 -0.42 -1.02 112.91 116.59 2avu h THR 74 Ca -0.01 -1.94 -0.10 0.00 0.77 0.00 0.00 66.41 65.13 2avu h THR 74 Cb 1.47 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.95 2avu h THR 74 CO 0.10 0.53 -0.05 0.40 0.37 0.00 0.00 175.52 176.87 2avu h ILE 75 N 0.00 1.27 -0.55 3.11 2.04 -1.13 -2.78 117.51 119.46 2avu h ILE 75 Ca -0.01 -1.19 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 2avu h ILE 75 Cb 1.04 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2avu h ILE 75 CO 0.07 0.42 0.04 0.74 0.00 0.00 0.00 178.15 179.43 2avu h THR 76 N 0.89 1.25 -0.05 -0.27 2.02 -1.19 -1.15 112.91 114.41 2avu h THR 76 Ca 0.15 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.34 2avu h THR 76 Cb 0.60 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2avu h THR 76 CO 0.04 0.37 0.09 1.56 0.37 0.00 0.00 175.52 177.94 2avu h GLN 77 N 0.85 0.00 -0.02 6.66 4.20 -0.93 -3.51 115.11 122.36 2avu h GLN 77 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2avu h GLN 77 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2avu h GLN 77 CO 0.02 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.46