#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dna n SER 2 N 0.00 -7.48 -3.64 1.61 2.88 -1.26 -5.04 113.62 100.68 2dna n SER 2 Ca 0.00 0.64 -0.04 0.00 -1.33 0.00 0.00 58.87 58.14 2dna n SER 2 Cb 0.00 -4.49 -0.01 0.00 -0.75 0.00 0.00 64.21 58.96 2dna n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dna s SER 3 N -2.06 -0.21 0.00 -3.46 0.15 -1.26 -5.17 113.70 101.70 2dna s SER 3 Ca 0.19 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2dna s SER 3 Cb -0.04 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2dna s SER 3 CO 0.73 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2dna n GLY 4 N -0.37 3.22 3.62 9.45 0.00 -1.26 -5.19 105.19 114.66 2dna n GLY 4 Ca -0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 2dna n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dna s SER 5 N 1.88 -0.10 -0.29 1.61 1.04 -1.26 -5.14 113.70 111.44 2dna s SER 5 Ca 0.00 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.52 2dna s SER 5 Cb 0.00 0.09 0.16 0.00 0.10 0.00 0.00 66.02 66.36 2dna s SER 5 CO 0.00 -0.11 0.40 -0.44 0.98 0.00 0.00 173.24 174.07 2dna s SER 6 N -1.38 0.42 0.00 7.02 0.01 -1.26 -5.14 113.70 113.37 2dna s SER 6 Ca 0.08 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2dna s SER 6 Cb -0.01 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.31 2dna s SER 6 CO -0.05 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2dna n GLY 7 N 5.35 1.56 3.51 3.44 0.00 -1.26 -5.06 105.19 112.74 2dna n GLY 7 Ca 0.00 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 2dna n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dna n PRO 8 N -0.34 2.38 -0.09 1.61 -0.04 -1.26 -4.57 135.00 132.68 2dna n PRO 8 Ca 0.00 -2.80 -0.12 0.00 -0.04 0.00 0.00 63.50 60.54 2dna n PRO 8 Cb 0.00 -3.56 -0.04 0.00 -0.04 0.00 0.00 33.50 29.86 2dna n PRO 8 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dna n SER 9 N 10.87 1.91 -3.36 3.54 2.88 -1.26 -4.89 113.62 123.31 2dna n SER 9 Ca 0.47 0.40 -0.31 0.00 -1.33 0.00 0.00 58.87 58.10 2dna n SER 9 Cb 0.46 -0.79 0.03 0.00 -0.75 0.00 0.00 64.21 63.16 2dna n SER 9 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2dna n HIS 10 N -4.46 -2.72 -3.20 0.66 -0.00 -1.26 -3.72 115.22 100.52 2dna n HIS 10 Ca -0.20 1.13 -0.03 0.00 0.46 0.00 0.00 57.72 59.08 2dna n HIS 10 Cb 0.54 -2.19 0.00 0.00 -0.12 0.00 0.00 29.99 28.22 2dna n HIS 10 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2dna n SER 11 N -0.12 -6.44 0.00 0.26 2.88 -1.26 -3.89 113.62 105.05 2dna n SER 11 Ca -0.04 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2dna n SER 11 Cb 0.63 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2dna n SER 11 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2dna n LEU 12 N 1.17 0.00 -4.61 2.46 4.77 -1.24 -4.51 117.00 115.04 2dna n LEU 12 Ca -0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 2dna n LEU 12 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 2dna n LEU 12 CO 0.04 0.00 -0.39 -1.58 -1.33 0.00 0.00 177.39 174.14 2dna s GLN 13 N 0.00 2.37 0.61 3.23 0.74 -1.25 -4.65 119.66 120.71 2dna s GLN 13 Ca 0.00 -0.88 -0.18 0.00 0.05 0.00 0.00 55.36 54.35 2dna s GLN 13 Cb 0.00 -2.43 -0.07 0.00 1.10 0.00 0.00 33.01 31.61 2dna s GLN 13 CO 0.00 0.55 0.62 0.00 -0.55 0.00 0.00 175.29 175.91 2dna n ALA 14 N 0.93 -0.92 0.08 1.58 0.00 -1.26 -4.86 120.51 116.06 2dna n ALA 14 Ca -0.13 -0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 2dna n ALA 14 Cb 0.52 -1.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.04 2dna n ALA 14 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dna h PRO 15 N 0.15 -0.28 -1.02 0.00 0.13 -1.91 -2.03 132.00 127.04 2dna h PRO 15 Ca -0.46 0.02 0.25 0.00 -0.87 0.00 0.00 66.00 64.93 2dna h PRO 15 Cb 1.38 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.48 2dna h PRO 15 CO 0.47 -0.07 0.64 1.05 -0.23 0.00 0.00 178.00 179.86 2dna h GLU 16 N -1.04 0.47 0.00 0.86 4.11 -1.92 1.60 114.58 118.66 2dna h GLU 16 Ca -0.03 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.28 2dna h GLU 16 Cb 0.34 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2dna h GLU 16 CO 0.05 0.31 -0.43 0.28 0.07 0.00 0.00 179.01 179.29 2dna h VAL 17 N 0.48 0.92 0.13 -1.06 2.07 -1.94 1.45 116.25 118.30 2dna h VAL 17 Ca 0.59 -1.73 -0.30 0.00 0.82 0.00 0.00 66.70 66.07 2dna h VAL 17 Cb 1.34 2.06 0.03 0.00 -1.52 0.00 0.00 31.29 33.20 2dna h VAL 17 CO -0.33 0.42 -1.26 -0.09 0.02 0.00 0.00 177.57 176.33 2dna h ARG 18 N 0.00 0.63 -0.28 1.57 1.12 0.28 -3.31 114.38 114.40 2dna h ARG 18 Ca -0.00 -0.85 -0.06 0.00 -1.11 0.00 0.00 59.98 57.96 2dna h ARG 18 Cb 1.03 0.28 -0.04 0.00 -0.01 0.00 0.00 29.97 31.23 2dna h ARG 18 CO 0.06 1.39 -0.01 1.19 -3.11 0.00 0.00 179.97 179.48 2dna n PHE 19 N -3.79 0.94 -0.09 2.20 3.72 0.17 -4.67 117.46 115.95 2dna n PHE 19 Ca -0.14 -1.12 -0.07 0.00 -0.05 0.00 0.00 57.45 56.07 2dna n PHE 19 Cb 0.99 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 2dna n PHE 19 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2dna h SER 20 N 1.40 0.15 -1.28 4.37 0.87 0.19 0.62 113.55 119.87 2dna h SER 20 Ca 0.08 0.03 0.37 0.00 -1.23 0.00 0.00 61.79 61.04 2dna h SER 20 Cb 1.50 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 63.41 2dna h SER 20 CO 0.27 0.12 0.92 0.11 -0.53 0.00 0.00 176.83 177.72 2dna h LYS 21 N 0.27 0.02 0.00 2.24 6.56 -1.83 1.51 116.57 125.35 2dna h LYS 21 Ca 0.14 -0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.46 2dna h LYS 21 Cb 0.10 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.71 2dna h LYS 21 CO -0.14 0.02 -1.56 0.93 -2.06 0.00 0.00 179.45 176.64 2dna h GLU 22 N 0.02 0.01 -0.13 3.15 3.07 -1.34 -3.16 114.58 116.20 2dna h GLU 22 Ca 0.62 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.39 2dna h GLU 22 Cb 2.43 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 30.33 2dna h GLU 22 CO -0.03 0.61 -0.27 0.52 -1.40 0.00 0.00 179.01 178.43 2dna h MET 23 N 0.00 0.24 0.02 2.33 2.86 0.40 -0.21 114.93 120.57 2dna h MET 23 Ca -0.23 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.21 2dna h MET 23 Cb 1.96 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 33.62 2dna h MET 23 CO 0.09 0.50 -0.47 0.93 1.06 0.00 0.00 176.91 179.02 2dna h GLU 24 N 0.22 0.29 -0.96 1.72 4.39 -0.79 -2.68 114.58 116.75 2dna h GLU 24 Ca 0.03 -0.33 0.01 0.00 0.34 0.00 0.00 59.36 59.42 2dna h GLU 24 Cb 0.60 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.30 2dna h GLU 24 CO 0.04 1.05 0.64 0.00 -1.16 0.00 0.00 179.01 179.58 2dna h LEU 26 N 1.29 -0.39 -0.34 0.00 3.38 -1.06 -2.17 115.31 116.02 2dna h LEU 26 Ca 0.36 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.45 2dna h LEU 26 Cb -0.12 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 2dna h LEU 26 CO -0.09 -0.21 -0.27 -0.61 0.09 0.00 0.00 178.44 177.36 2dna h GLN 27 N -0.28 -0.23 -0.67 1.13 -0.00 -1.04 -0.00 115.11 114.03 2dna h GLN 27 Ca 0.02 0.02 0.13 0.00 -0.00 0.00 0.00 58.65 58.82 2dna h GLN 27 Cb 0.29 0.05 -0.13 0.00 0.00 0.00 0.00 27.48 27.70 2dna h GLN 27 CO -0.08 -0.15 -0.23 0.00 0.00 0.00 0.00 178.83 178.37 2dna h ALA 28 N 0.84 0.29 -0.15 3.38 0.00 -0.97 1.19 119.26 123.84 2dna h ALA 28 Ca 0.16 0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.35 2dna h ALA 28 Cb 0.50 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2dna h ALA 28 CO -0.47 -0.51 0.11 0.52 0.00 0.00 0.00 179.25 178.90 2dna h MET 29 N -0.06 0.00 0.00 0.00 2.86 -0.47 -3.45 114.93 113.81 2dna h MET 29 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2dna h MET 29 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2dna h MET 29 CO -0.71 0.00 0.00 0.41 1.06 0.00 0.00 176.91 177.67 2dna n GLY 30 N -1.54 1.27 3.31 8.32 0.00 0.41 -4.98 105.19 111.98 2dna n GLY 30 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2dna n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dna n PHE 31 N 0.00 2.33 0.12 1.61 3.72 -0.18 -4.62 117.46 120.44 2dna n PHE 31 Ca 0.00 -1.70 -0.00 0.00 -0.05 0.00 0.00 57.45 55.70 2dna n PHE 31 Cb 0.00 -2.12 0.29 0.00 -0.94 0.00 0.00 39.48 36.71 2dna n PHE 31 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 2dna h VAL 32 N 5.21 1.27 -0.33 -4.37 -1.51 -1.82 -3.21 116.25 111.49 2dna h VAL 32 Ca 0.34 -1.31 -0.40 0.00 -1.23 0.00 0.00 66.70 64.10 2dna h VAL 32 Cb 0.79 1.59 -0.07 0.00 -2.13 0.00 0.00 31.29 31.46 2dna h VAL 32 CO 1.64 0.39 1.61 -3.20 -1.23 0.00 0.00 177.57 176.78 2dna n ASN 33 N -4.09 0.35 0.01 4.19 2.85 -1.26 -4.75 115.26 112.55 2dna n ASN 33 Ca -0.01 -0.34 -0.01 0.00 -0.11 0.00 0.00 54.58 54.10 2dna n ASN 33 Cb 0.42 -1.02 -0.01 0.00 1.24 0.00 0.00 39.78 40.41 2dna n ASN 33 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 2dna h TYR 34 N 13.20 -0.07 -1.23 1.20 3.20 -1.98 -0.35 116.97 130.95 2dna h TYR 34 Ca -0.05 -0.00 0.39 0.00 3.14 0.00 0.00 58.73 62.21 2dna h TYR 34 Cb 1.22 0.02 -0.12 0.00 1.54 0.00 0.00 36.73 39.39 2dna h TYR 34 CO 1.16 -0.04 0.79 -0.91 -1.64 0.00 0.00 178.16 177.51 2dna h ASN 35 N -0.52 0.30 0.23 -2.11 2.35 -1.99 0.97 115.58 114.81 2dna h ASN 35 Ca -0.01 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2dna h ASN 35 Cb 0.06 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2dna h ASN 35 CO 0.01 -0.13 -0.11 0.00 -1.65 0.00 0.00 177.43 175.55 2dna h ALA 36 N 1.63 -0.40 -0.82 -0.83 0.00 -1.94 -2.53 119.26 114.37 2dna h ALA 36 Ca 0.77 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.80 2dna h ALA 36 Cb 2.28 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 20.05 2dna h ALA 36 CO -0.41 -0.38 -0.01 -0.91 0.00 0.00 0.00 179.25 177.55 2dna h ASN 37 N -0.79 -0.41 0.10 0.00 2.35 0.86 0.44 115.58 118.13 2dna h ASN 37 Ca -0.03 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2dna h ASN 37 Cb 0.24 0.39 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 2dna h ASN 37 CO 0.05 -0.22 -0.25 0.25 -1.65 0.00 0.00 177.43 175.61 2dna h LEU 38 N 0.08 -0.74 -0.30 1.61 6.46 0.79 0.43 115.31 123.64 2dna h LEU 38 Ca 0.45 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 58.35 2dna h LEU 38 Cb 0.82 0.27 -0.08 0.00 -0.73 0.00 0.00 40.66 40.94 2dna h LEU 38 CO -0.74 -0.28 -0.38 1.56 -0.62 0.00 0.00 178.44 177.99 2dna h GLN 39 N -0.38 -0.34 -0.56 1.25 1.08 -0.65 0.12 115.11 115.63 2dna h GLN 39 Ca -0.01 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.31 2dna h GLN 39 Cb 0.37 0.08 -0.11 0.00 -0.05 0.00 0.00 27.48 27.77 2dna h GLN 39 CO -0.11 -0.23 -0.36 0.00 -0.95 0.00 0.00 178.83 177.18 2dna h ALA 40 N 0.46 -0.14 0.02 3.87 0.00 0.11 1.01 119.26 124.59 2dna h ALA 40 Ca 0.13 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.21 2dna h ALA 40 Cb 0.58 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2dna h ALA 40 CO -0.49 -0.73 -0.43 -0.07 0.00 0.00 0.00 179.25 177.53 2dna h LEU 41 N -0.20 -1.31 -1.66 0.00 3.38 0.12 0.71 115.31 116.35 2dna h LEU 41 Ca 0.21 0.15 0.17 0.00 0.09 0.00 0.00 57.88 58.51 2dna h LEU 41 Cb 0.55 0.51 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 2dna h LEU 41 CO -0.66 -0.47 0.52 0.40 0.09 0.00 0.00 178.44 178.32 2dna h ILE 42 N -0.60 0.74 0.00 1.22 2.04 0.92 1.36 117.51 123.19 2dna h ILE 42 Ca 0.04 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 2dna h ILE 42 Cb 0.67 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2dna h ILE 42 CO -0.31 0.06 -0.29 0.00 0.00 0.00 0.00 178.15 177.61 2dna h ALA 43 N 1.64 0.93 -0.33 1.87 0.00 0.43 -2.82 119.26 120.98 2dna h ALA 43 Ca 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dna h ALA 43 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2dna h ALA 43 CO -0.10 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.76 2dna n THR 44 N -3.34 1.93 -2.50 0.00 -2.24 0.38 -4.93 114.28 103.58 2dna n THR 44 Ca 0.01 -1.56 -0.07 0.00 -2.27 0.00 0.00 64.05 60.16 2dna n THR 44 Cb 0.52 -0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2dna n THR 44 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dna n ASP 45 N -0.03 -2.50 -1.13 3.42 8.00 0.32 -3.50 116.55 121.14 2dna n ASP 45 Ca 0.19 0.32 0.00 0.00 0.71 0.00 0.00 54.79 56.01 2dna n ASP 45 Cb 0.78 -2.19 0.00 0.00 -0.02 0.00 0.00 41.12 39.69 2dna n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dna n GLY 46 N -0.67 -2.17 2.92 0.44 0.00 0.68 -4.97 105.19 101.43 2dna n GLY 46 Ca -0.07 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.51 2dna n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dna s ASP 47 N 0.00 -0.72 0.20 1.61 -1.08 -1.23 -5.04 116.67 110.41 2dna s ASP 47 Ca 0.00 -0.35 -0.22 0.00 -0.52 0.00 0.00 52.55 51.46 2dna s ASP 47 Cb 0.00 0.94 0.13 0.00 -1.46 0.00 0.00 42.92 42.53 2dna s ASP 47 CO 0.00 -0.08 1.53 0.35 0.52 0.00 0.00 175.17 177.49 2dna n THR 48 N 3.97 -0.58 -0.17 1.71 -2.24 -1.26 -0.18 114.28 115.53 2dna n THR 48 Ca 0.07 2.34 -0.05 0.00 -2.27 0.00 0.00 64.05 64.15 2dna n THR 48 Cb 0.61 -3.02 -0.05 0.00 -2.10 0.00 0.00 70.33 65.77 2dna n THR 48 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2dna h ASN 49 N 0.00 -0.97 -0.25 3.42 -0.73 -1.98 1.50 115.58 116.57 2dna h ASN 49 Ca 0.28 0.14 0.06 0.00 1.87 0.00 0.00 56.30 58.65 2dna h ASN 49 Cb 0.52 0.42 -0.07 0.00 0.27 0.00 0.00 38.32 39.47 2dna h ASN 49 CO -0.96 -0.12 -0.29 0.00 -0.37 0.00 0.00 177.43 175.69 2dna h ALA 50 N -0.38 -0.21 -0.41 1.57 0.00 -1.33 0.58 119.26 119.08 2dna h ALA 50 Ca 0.07 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2dna h ALA 50 Cb 0.20 0.58 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 2dna h ALA 50 CO -0.40 -0.72 -0.38 0.00 0.00 0.00 0.00 179.25 177.74 2dna h ALA 51 N 0.68 -0.31 0.34 0.00 0.00 0.20 0.91 119.26 121.07 2dna h ALA 51 Ca 0.13 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dna h ALA 51 Cb 0.51 0.81 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2dna h ALA 51 CO -0.42 -0.80 -0.40 0.82 0.00 0.00 0.00 179.25 178.46 2dna h ILE 52 N -0.29 0.19 -0.54 0.00 2.04 0.31 0.76 117.51 119.99 2dna h ILE 52 Ca 0.16 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.12 2dna h ILE 52 Cb 0.57 0.19 -0.11 0.00 -0.74 0.00 0.00 36.82 36.73 2dna h ILE 52 CO -0.56 0.00 -0.21 0.22 0.00 0.00 0.00 178.15 177.60 2dna h TYR 53 N -0.78 -0.52 0.78 1.37 5.03 0.12 0.69 116.97 123.67 2dna h TYR 53 Ca -0.02 0.06 -0.04 0.00 2.58 0.00 0.00 58.73 61.31 2dna h TYR 53 Cb 0.71 0.31 0.01 0.00 1.55 0.00 0.00 36.73 39.31 2dna h TYR 53 CO -0.25 -0.30 -0.37 0.87 -1.32 0.00 0.00 178.16 176.79 2dna h LYS 54 N -0.08 -1.01 -0.77 1.82 1.57 0.12 -1.66 116.57 116.57 2dna h LYS 54 Ca 0.25 0.07 0.11 0.00 -1.87 0.00 0.00 60.65 59.20 2dna h LYS 54 Cb 0.47 0.23 -0.12 0.00 0.08 0.00 0.00 32.23 32.89 2dna h LYS 54 CO -0.59 -0.67 -0.45 -0.07 -0.57 0.00 0.00 179.45 177.09 2dna h LEU 55 N -1.09 -1.60 -0.41 2.94 3.38 0.11 0.58 115.31 119.22 2dna h LEU 55 Ca -0.11 0.28 0.04 0.00 0.09 0.00 0.00 57.88 58.19 2dna h LEU 55 Cb 0.80 0.75 -0.07 0.00 0.09 0.00 0.00 40.66 42.24 2dna h LEU 55 CO 0.18 -0.30 -0.42 0.11 0.09 0.00 0.00 178.44 178.09 2dna h LYS 56 N -0.12 -0.22 -0.64 1.13 1.79 0.46 -1.00 116.57 117.97 2dna h LYS 56 Ca 0.22 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.78 2dna h LYS 56 Cb 0.54 0.05 -0.10 0.00 -1.58 0.00 0.00 32.23 31.14 2dna h LYS 56 CO -0.82 -0.14 -0.53 1.03 -1.08 0.00 0.00 179.45 177.91 2dna h SER 57 N -0.22 -1.84 -0.87 0.86 0.87 0.01 -3.39 113.55 108.97 2dna h SER 57 Ca 0.07 0.27 -0.78 0.00 -1.23 0.00 0.00 61.79 60.12 2dna h SER 57 Cb 0.41 0.80 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2dna h SER 57 CO -0.50 -0.33 1.05 -1.20 -0.53 0.00 0.00 176.83 175.31 2dna n SER 58 N -5.35 1.54 -4.45 6.23 7.64 -0.05 -4.80 113.62 114.38 2dna n SER 58 Ca -0.00 0.89 -0.43 0.00 1.01 0.00 0.00 58.87 60.33 2dna n SER 58 Cb 0.32 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2dna n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dna n GLN 59 N 6.05 3.30 0.00 1.43 3.00 -1.26 -4.80 117.38 125.10 2dna n GLN 59 Ca 0.38 -3.57 0.00 0.00 -0.01 0.00 0.00 57.00 53.81 2dna n GLN 59 Cb 0.04 -3.22 0.00 0.00 0.00 0.00 0.00 30.24 27.06 2dna n GLN 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2dna n GLY 60 N 4.52 0.47 3.11 1.08 0.00 -1.26 -5.12 105.19 108.00 2dna n GLY 60 Ca 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 2dna n GLY 60 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dna s PHE 61 N 1.88 -1.01 -0.10 1.61 5.36 -1.26 -5.15 117.98 119.31 2dna s PHE 61 Ca 0.00 1.31 -0.27 0.00 -0.96 0.00 0.00 56.93 57.01 2dna s PHE 61 Cb 0.00 0.27 0.06 0.00 -0.34 0.00 0.00 43.02 43.01 2dna s PHE 61 CO 0.00 -0.68 0.64 0.45 -1.46 0.00 0.00 175.22 174.17 2dna s SER 62 N 2.65 -0.62 -0.31 6.13 0.15 -1.26 -5.08 113.70 115.36 2dna s SER 62 Ca 0.09 0.83 -0.09 0.00 0.70 0.00 0.00 55.95 57.48 2dna s SER 62 Cb -0.14 0.74 0.19 0.00 -1.71 0.00 0.00 66.02 65.10 2dna s SER 62 CO -0.16 -0.49 1.00 -0.83 1.20 0.00 0.00 173.24 173.96 2dna s GLY 63 N -0.78 -1.17 0.78 9.45 0.00 -1.26 -5.17 107.32 109.17 2dna s GLY 63 Ca -0.08 1.69 -0.11 0.00 0.00 0.00 0.00 44.72 46.21 2dna s GLY 63 CO 0.07 4.13 1.09 2.56 0.00 0.00 0.00 173.10 180.95 2dna s PRO 64 N 2.56 2.26 0.07 2.90 0.04 -1.26 -4.92 135.00 136.64 2dna s PRO 64 Ca 0.22 0.70 -0.37 0.00 0.04 0.00 0.00 61.00 61.59 2dna s PRO 64 Cb -0.01 -1.93 -0.18 0.00 0.04 0.00 0.00 34.50 32.43 2dna s PRO 64 CO -0.20 -1.52 1.27 -1.13 0.04 0.00 0.00 177.00 175.46 2dna n SER 65 N -3.37 1.21 -4.47 6.66 3.41 -1.26 -4.91 113.62 110.89 2dna n SER 65 Ca 0.07 1.13 -0.41 0.00 -0.26 0.00 0.00 58.87 59.40 2dna n SER 65 Cb 0.56 -1.12 -0.11 0.00 -0.26 0.00 0.00 64.21 63.28 2dna n SER 65 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dna s SER 66 N 0.35 5.98 0.00 4.04 0.15 -1.26 -5.26 113.70 117.71 2dna s SER 66 Ca 0.86 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2dna s SER 66 Cb -1.03 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 61.16 2dna s SER 66 CO 0.49 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.21