#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 -6.50 0.05 1.61 2.88 -1.26 -4.89 113.62 105.50 2dna n SER 2 Ca 0.00 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 2dna n SER 2 Cb 0.00 -2.59 0.00 0.00 -0.75 0.00 0.00 64.21 60.87 2dna n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dna n SER 3 N 1.55 -0.82 0.00 -3.46 2.88 -1.26 -5.05 113.62 107.46 2dna n SER 3 Ca -0.04 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2dna n SER 3 Cb 0.30 1.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.87 2dna n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dna n GLY 4 N -1.11 -1.58 0.20 0.46 0.00 -1.26 -4.41 105.19 97.49 2dna n GLY 4 Ca 0.00 0.48 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 2dna n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dna h SER 5 N 0.00 -0.36 -4.07 1.61 0.02 -1.97 -3.41 113.55 105.38 2dna h SER 5 Ca 0.00 -0.06 -0.47 0.00 -0.84 0.00 0.00 61.79 60.42 2dna h SER 5 Cb 0.00 0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.64 2dna h SER 5 CO 0.00 0.11 0.32 -0.44 -1.14 0.00 0.00 176.83 175.68 2dna s SER 6 N -5.10 6.68 0.93 3.07 0.01 -1.26 -4.89 113.70 113.13 2dna s SER 6 Ca -0.08 1.52 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2dna s SER 6 Cb 0.01 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2dna s SER 6 CO 0.26 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2dna n GLY 7 N -1.30 0.61 3.80 3.44 0.00 -1.26 -4.76 105.19 105.73 2dna n GLY 7 Ca 0.06 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 2dna n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dna s PRO 8 N 0.00 3.61 -0.65 1.61 0.04 -1.26 -4.96 135.00 133.39 2dna s PRO 8 Ca 0.00 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 2dna s PRO 8 Cb 0.00 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.48 2dna s PRO 8 CO 0.00 -0.58 1.51 -1.54 0.04 0.00 0.00 177.00 176.43 2dna s SER 9 N -2.39 5.85 -0.30 6.66 1.04 -1.26 -4.88 113.70 118.42 2dna s SER 9 Ca 0.65 0.01 -0.16 0.00 0.48 0.00 0.00 55.95 56.93 2dna s SER 9 Cb -0.16 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.59 2dna s SER 9 CO 0.28 -1.99 1.07 -1.00 0.98 0.00 0.00 173.24 172.57 2dna s HIS 10 N 6.95 -0.46 -0.02 5.02 4.02 -1.26 -5.09 115.29 124.44 2dna s HIS 10 Ca 0.50 0.86 0.04 0.00 1.02 0.00 0.00 55.06 57.49 2dna s HIS 10 Cb -0.10 0.28 -0.01 0.00 -1.02 0.00 0.00 32.58 31.73 2dna s HIS 10 CO 0.19 -0.23 -0.15 0.45 1.02 0.00 0.00 174.74 176.03 2dna s SER 11 N 1.74 1.82 -0.24 1.40 0.15 -1.26 -4.92 113.70 112.39 2dna s SER 11 Ca -0.06 -0.29 -0.34 0.00 0.70 0.00 0.00 55.95 55.97 2dna s SER 11 Cb -0.04 -0.33 0.16 0.00 -1.71 0.00 0.00 66.02 64.10 2dna s SER 11 CO -0.15 0.16 1.28 -0.22 1.20 0.00 0.00 173.24 175.51 2dna s LEU 12 N -0.17 -0.09 0.11 3.45 0.20 -1.26 -5.18 118.68 115.73 2dna s LEU 12 Ca 0.02 0.04 0.05 0.00 0.69 0.00 0.00 54.13 54.94 2dna s LEU 12 Cb -0.08 1.24 -0.04 0.00 -0.43 0.00 0.00 46.19 46.89 2dna s LEU 12 CO 0.00 -0.13 -0.13 -1.58 -0.29 0.00 0.00 176.35 174.22 2dna s GLN 13 N -1.78 0.96 0.73 1.98 0.74 -1.26 -5.13 119.66 115.91 2dna s GLN 13 Ca 0.09 -1.19 -0.16 0.00 0.05 0.00 0.00 55.36 54.15 2dna s GLN 13 Cb -0.01 -0.82 -0.07 0.00 1.10 0.00 0.00 33.01 33.21 2dna s GLN 13 CO -0.05 0.16 0.21 0.00 -0.55 0.00 0.00 175.29 175.06 2dna n ALA 14 N 0.62 -2.44 0.03 1.58 0.00 -1.26 -4.83 120.51 114.22 2dna n ALA 14 Ca -0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 2dna n ALA 14 Cb 0.57 -1.66 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.46 -0.12 -0.96 0.00 0.13 -2.00 -2.44 132.00 126.16 2dna h PRO 15 Ca -0.44 0.01 0.31 0.00 -0.87 0.00 0.00 66.00 65.00 2dna h PRO 15 Cb 1.36 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.35 2dna h PRO 15 CO 0.39 -0.08 0.35 1.05 -0.23 0.00 0.00 178.00 179.48 2dna h GLU 16 N -0.40 0.15 -0.66 0.86 -0.00 -1.92 1.54 114.58 114.15 2dna h GLU 16 Ca -0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.36 59.31 2dna h GLU 16 Cb 0.09 -0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 28.78 2dna h GLU 16 CO 0.02 0.10 0.31 0.28 -0.00 0.00 0.00 179.01 179.71 2dna h VAL 17 N 0.15 1.23 -0.13 -1.06 2.07 -1.94 1.44 116.25 118.00 2dna h VAL 17 Ca 0.68 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2dna h VAL 17 Cb 1.54 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2dna h VAL 17 CO -0.72 0.27 0.04 -0.09 0.02 0.00 0.00 177.57 177.09 2dna h ARG 18 N 0.92 0.20 -0.89 1.57 1.12 0.25 -2.97 114.38 114.58 2dna h ARG 18 Ca 0.23 -0.04 -0.54 0.00 -1.11 0.00 0.00 59.98 58.51 2dna h ARG 18 Cb 0.14 -0.03 -0.29 0.00 -0.01 0.00 0.00 29.97 29.79 2dna h ARG 18 CO -0.03 0.33 0.50 1.19 -3.11 0.00 0.00 179.97 178.86 2dna n PHE 19 N -4.87 2.84 -0.09 2.20 3.72 0.10 -4.58 117.46 116.78 2dna n PHE 19 Ca -0.05 -2.36 -0.12 0.00 -0.05 0.00 0.00 57.45 54.87 2dna n PHE 19 Cb 0.14 -1.04 -0.04 0.00 -0.94 0.00 0.00 39.48 37.59 2dna n PHE 19 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2dna h SER 20 N 1.54 0.49 -0.48 4.37 4.64 0.22 -0.15 113.55 124.18 2dna h SER 20 Ca 0.54 -0.37 0.14 0.00 -0.47 0.00 0.00 61.79 61.64 2dna h SER 20 Cb 1.71 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.65 2dna h SER 20 CO 1.18 0.74 0.41 0.11 -0.87 0.00 0.00 176.83 178.40 2dna h LYS 21 N 0.23 0.00 0.00 4.77 1.57 -1.82 -0.01 116.57 121.31 2dna h LYS 21 Ca 0.06 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2dna h LYS 21 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2dna h LYS 21 CO 0.02 0.00 -0.33 0.93 -0.57 0.00 0.00 179.45 179.51 2dna h GLU 22 N 0.00 0.00 -0.99 3.15 3.07 -1.78 -3.15 114.58 114.87 2dna h GLU 22 Ca 0.23 0.00 0.24 0.00 -0.50 0.00 0.00 59.36 59.33 2dna h GLU 22 Cb 1.03 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.86 2dna h GLU 22 CO -0.00 0.94 0.64 0.52 -1.40 0.00 0.00 179.01 179.71 2dna h MET 23 N -1.00 0.41 0.10 2.33 2.86 0.19 0.39 114.93 120.21 2dna h MET 23 Ca -0.09 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2dna h MET 23 Cb 1.02 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.59 2dna h MET 23 CO -0.05 0.27 -0.05 0.93 1.06 0.00 0.00 176.91 179.07 2dna h GLU 24 N 0.43 -0.13 0.00 1.72 4.39 -1.16 -1.73 114.58 118.09 2dna h GLU 24 Ca 0.55 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.27 2dna h GLU 24 Cb 1.35 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 2dna h GLU 24 CO -0.26 0.22 -0.09 0.00 -1.16 0.00 0.00 179.01 177.72 2dna h LEU 26 N -0.16 -1.06 -0.16 0.00 3.38 -0.31 -0.12 115.31 116.87 2dna h LEU 26 Ca 0.04 0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.27 2dna h LEU 26 Cb 0.21 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 2dna h LEU 26 CO -0.10 -0.29 -0.36 -0.61 0.09 0.00 0.00 178.44 177.17 2dna h GLN 27 N -0.16 -0.41 -0.78 1.13 -0.00 -0.73 -0.06 115.11 114.11 2dna h GLN 27 Ca 0.23 0.03 0.13 0.00 -0.00 0.00 0.00 58.65 59.04 2dna h GLN 27 Cb 0.54 0.09 -0.14 0.00 0.00 0.00 0.00 27.48 27.97 2dna h GLN 27 CO -0.65 -0.27 -0.33 0.00 0.00 0.00 0.00 178.83 177.58 2dna h ALA 28 N 0.33 0.14 -0.68 3.38 0.00 -0.06 1.33 119.26 123.70 2dna h ALA 28 Ca 0.10 0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.36 2dna h ALA 28 Cb 0.58 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2dna h ALA 28 CO -0.39 -0.60 0.46 0.52 0.00 0.00 0.00 179.25 179.23 2dna h MET 29 N -0.08 0.42 0.00 0.00 2.86 -0.05 -3.45 114.93 114.64 2dna h MET 29 Ca 0.30 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2dna h MET 29 Cb 0.58 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2dna h MET 29 CO -0.82 0.28 0.00 0.41 1.06 0.00 0.00 176.91 177.84 2dna n GLY 30 N -1.51 1.01 3.28 8.32 0.00 0.45 -5.04 105.19 111.70 2dna n GLY 30 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 1.88 -0.08 1.61 3.72 -0.16 -4.60 117.46 119.82 2dna n PHE 31 Ca 0.00 -1.54 -0.06 0.00 -0.05 0.00 0.00 57.45 55.80 2dna n PHE 31 Cb 0.00 -1.87 0.13 0.00 -0.94 0.00 0.00 39.48 36.80 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 5.03 1.26 -0.13 -4.37 -1.51 -1.81 -3.23 116.25 111.48 2dna h VAL 32 Ca 0.34 -1.23 -0.46 0.00 -1.23 0.00 0.00 66.70 64.13 2dna h VAL 32 Cb 0.75 1.13 -0.09 0.00 -2.13 0.00 0.00 31.29 30.96 2dna h VAL 32 CO 1.75 0.41 1.77 -3.20 -1.23 0.00 0.00 177.57 177.07 2dna n ASN 33 N -4.14 0.10 -0.01 4.19 2.85 -1.26 -4.75 115.26 112.24 2dna n ASN 33 Ca 0.01 -0.07 -0.01 0.00 -0.11 0.00 0.00 54.58 54.40 2dna n ASN 33 Cb 0.39 -0.91 -0.00 0.00 1.24 0.00 0.00 39.78 40.50 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 12.39 -0.05 -1.13 1.20 3.20 -1.98 -0.87 116.97 129.73 2dna h TYR 34 Ca -0.04 -0.00 0.34 0.00 3.14 0.00 0.00 58.73 62.16 2dna h TYR 34 Cb 1.26 0.02 -0.12 0.00 1.54 0.00 0.00 36.73 39.43 2dna h TYR 34 CO 1.15 -0.03 0.71 -0.97 -1.64 0.00 0.00 178.16 177.38 2dna h ASN 35 N -0.66 0.39 0.27 -2.11 -0.73 -1.99 0.67 115.58 111.41 2dna h ASN 35 Ca -0.01 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.28 2dna h ASN 35 Cb 0.04 0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.71 2dna h ASN 35 CO 0.01 -0.06 -0.13 0.00 -0.37 0.00 0.00 177.43 176.88 2dna h ALA 36 N 1.66 -0.50 -0.71 1.57 0.00 -1.94 -2.73 119.26 116.62 2dna h ALA 36 Ca 0.71 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.64 2dna h ALA 36 Cb 1.92 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 19.73 2dna h ALA 36 CO -0.41 -0.47 -0.42 -0.91 0.00 0.00 0.00 179.25 177.05 2dna h ASN 37 N -0.77 -1.47 -0.20 0.00 2.35 0.37 0.16 115.58 116.03 2dna h ASN 37 Ca -0.04 0.26 0.02 0.00 -0.55 0.00 0.00 56.30 56.00 2dna h ASN 37 Cb 0.28 0.70 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 2dna h ASN 37 CO 0.06 -0.31 -0.18 0.25 -1.65 0.00 0.00 177.43 175.60 2dna h LEU 38 N -0.14 -0.63 -0.12 1.61 6.46 0.17 1.37 115.31 124.02 2dna h LEU 38 Ca 0.23 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.09 2dna h LEU 38 Cb 0.56 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.73 2dna h LEU 38 CO -0.78 -0.11 -0.17 1.56 -0.62 0.00 0.00 178.44 178.32 2dna h GLN 39 N -0.08 -0.12 -0.77 1.25 4.20 -0.87 0.33 115.11 119.04 2dna h GLN 39 Ca 0.03 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.86 2dna h GLN 39 Cb 0.17 0.03 -0.13 0.00 0.30 0.00 0.00 27.48 27.85 2dna h GLN 39 CO -0.23 -0.08 -0.44 0.00 -0.67 0.00 0.00 178.83 177.41 2dna h ALA 40 N -0.91 -0.20 -0.30 3.87 0.00 -0.26 0.69 119.26 122.14 2dna h ALA 40 Ca 0.02 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2dna h ALA 40 Cb 0.18 1.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2dna h ALA 40 CO -0.18 -0.78 -0.45 -0.07 0.00 0.00 0.00 179.25 177.77 2dna h LEU 41 N -0.12 -1.48 -0.92 0.00 3.38 0.29 0.42 115.31 116.87 2dna h LEU 41 Ca 0.23 0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.58 2dna h LEU 41 Cb 0.55 0.60 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 2dna h LEU 41 CO -0.82 -0.33 0.50 0.40 0.09 0.00 0.00 178.44 178.28 2dna h ILE 42 N -0.34 0.64 0.00 1.22 2.04 0.17 1.77 117.51 123.02 2dna h ILE 42 Ca 0.05 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2dna h ILE 42 Cb 0.48 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2dna h ILE 42 CO -0.46 0.11 -0.04 0.00 0.00 0.00 0.00 178.15 177.76 2dna h ALA 43 N 1.64 1.49 -0.30 1.87 0.00 0.42 0.30 119.26 124.67 2dna h ALA 43 Ca 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2dna h ALA 43 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2dna h ALA 43 CO -0.42 0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.13 2dna n THR 44 N -3.84 0.86 -3.42 0.00 -2.24 0.49 -5.02 114.28 101.11 2dna n THR 44 Ca -0.03 -0.93 -0.23 0.00 -2.27 0.00 0.00 64.05 60.60 2dna n THR 44 Cb 0.13 0.60 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.54 -6.07 -3.31 3.42 9.92 0.49 -3.56 116.55 117.97 2dna n ASP 45 Ca 0.11 -0.31 -0.22 0.00 -0.53 0.00 0.00 54.79 53.85 2dna n ASP 45 Cb 0.41 -2.89 0.02 0.00 -0.64 0.00 0.00 41.12 38.01 2dna n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dna n GLY 46 N -0.97 -0.75 2.66 0.44 0.00 -0.96 -4.97 105.19 100.63 2dna n GLY 46 Ca -0.12 0.99 -0.23 0.00 0.00 0.00 0.00 46.02 46.66 2dna n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dna s ASP 47 N -2.32 2.50 0.02 1.61 1.01 -1.23 -5.04 116.67 113.22 2dna s ASP 47 Ca 0.22 -0.94 -0.19 0.00 0.71 0.00 0.00 52.55 52.35 2dna s ASP 47 Cb -0.04 0.09 -0.11 0.00 1.01 0.00 0.00 42.92 43.88 2dna s ASP 47 CO 0.83 -0.40 1.16 0.71 0.21 0.00 0.00 175.17 177.67 2dna h THR 48 N 6.34 0.00 -0.89 -1.27 1.35 -1.94 0.82 112.91 117.31 2dna h THR 48 Ca -0.17 -0.08 0.08 0.00 -0.55 0.00 0.00 66.41 65.70 2dna h THR 48 Cb 1.06 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.36 2dna h THR 48 CO 0.37 0.00 -0.58 0.78 -0.25 0.00 0.00 175.52 175.84 2dna h ASN 49 N -0.77 -2.11 -0.18 5.36 4.21 -1.98 1.44 115.58 121.55 2dna h ASN 49 Ca -0.07 0.31 0.03 0.00 1.21 0.00 0.00 56.30 57.79 2dna h ASN 49 Cb 0.53 0.92 -0.03 0.00 -1.12 0.00 0.00 38.32 38.62 2dna h ASN 49 CO 0.12 -0.26 -0.02 0.00 -1.29 0.00 0.00 177.43 175.97 2dna h ALA 50 N 0.41 0.14 -0.31 -0.83 0.00 -1.97 0.79 119.26 117.49 2dna h ALA 50 Ca 0.15 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2dna h ALA 50 Cb 0.44 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2dna h ALA 50 CO -0.88 -0.46 -0.29 0.00 0.00 0.00 0.00 179.25 177.62 2dna h ALA 51 N 1.17 -0.18 0.26 0.00 0.00 0.46 0.60 119.26 121.57 2dna h ALA 51 Ca 0.09 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2dna h ALA 51 Cb 0.12 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2dna h ALA 51 CO -0.16 -0.71 -0.30 0.82 0.00 0.00 0.00 179.25 178.89 2dna h ILE 52 N -0.27 0.00 -0.90 0.00 2.04 0.23 0.42 117.51 119.03 2dna h ILE 52 Ca 0.15 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.22 2dna h ILE 52 Cb 0.51 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.42 2dna h ILE 52 CO -0.46 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 177.57 2dna n TYR 53 N -4.18 0.44 0.38 1.37 9.36 0.22 0.15 117.16 124.90 2dna n TYR 53 Ca -0.07 1.09 -0.15 0.00 3.32 0.00 0.00 57.90 62.09 2dna n TYR 53 Cb 0.27 -1.09 -0.07 0.00 -0.63 0.00 0.00 39.34 37.81 2dna n TYR 53 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 2dna h LYS 54 N 0.00 -0.96 -1.01 2.98 1.57 -0.31 -1.71 116.57 117.13 2dna h LYS 54 Ca 0.48 0.07 0.29 0.00 -1.87 0.00 0.00 60.65 59.62 2dna h LYS 54 Cb 0.87 0.22 -0.14 0.00 0.08 0.00 0.00 32.23 33.26 2dna h LYS 54 CO -0.89 -0.64 0.58 -0.07 -0.57 0.00 0.00 179.45 177.86 2dna h LEU 55 N -1.22 0.58 0.48 2.94 3.38 0.29 0.81 115.31 122.58 2dna h LEU 55 Ca -0.10 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2dna h LEU 55 Cb 0.76 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2dna h LEU 55 CO 0.17 -0.04 -0.32 0.11 0.09 0.00 0.00 178.44 178.45 2dna h LYS 56 N 0.43 -0.74 0.40 1.13 1.57 0.16 -3.08 116.57 116.44 2dna h LYS 56 Ca 0.70 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.51 2dna h LYS 56 Cb 1.50 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.98 2dna h LYS 56 CO -0.55 -0.49 -0.19 0.66 -0.57 0.00 0.00 179.45 178.30 2dna h SER 57 N -0.77 -0.46 -1.01 0.86 4.64 0.42 -3.35 113.55 113.88 2dna h SER 57 Ca -0.05 -0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.72 2dna h SER 57 Cb 0.64 0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 62.76 2dna h SER 57 CO 0.04 -0.30 1.37 -0.94 -0.87 0.00 0.00 176.83 176.13 2dna s SER 58 N -4.74 6.22 0.09 4.97 1.04 0.25 -3.80 113.70 117.73 2dna s SER 58 Ca -0.16 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 54.94 2dna s SER 58 Cb 0.04 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2dna s SER 58 CO 0.63 -1.76 0.00 1.67 0.98 0.00 0.00 173.24 174.76 2dna n GLN 59 N 8.86 0.00 0.00 4.02 0.00 -1.25 -4.62 117.38 124.39 2dna n GLN 59 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.35 2dna n GLN 59 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 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 -1.11 -0.07 3.20 1.69 0.00 -1.25 -5.15 105.19 102.50 2dna n GLY 60 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 -0.00 0.10 1.61 2.19 -1.26 -5.17 117.98 115.45 2dna s PHE 61 Ca 0.00 -0.17 0.04 0.00 0.33 0.00 0.00 56.93 57.13 2dna s PHE 61 Cb 0.00 0.01 -0.04 0.00 -1.31 0.00 0.00 43.02 41.68 2dna s PHE 61 CO 0.00 -0.44 -0.11 -1.12 1.83 0.00 0.00 175.22 175.38 2dna s SER 62 N -2.00 1.60 -0.01 6.13 0.01 -1.26 -5.01 113.70 113.16 2dna s SER 62 Ca -0.06 -0.81 -0.00 0.00 1.31 0.00 0.00 55.95 56.38 2dna s SER 62 Cb -0.02 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2dna s SER 62 CO -0.03 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2dna n GLY 63 N 0.55 -2.94 0.07 3.44 0.00 -1.26 -5.01 105.19 100.04 2dna n GLY 63 Ca -0.16 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 2dna n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dna h PRO 64 N 0.10 -0.02 -4.71 1.61 0.13 -2.08 -3.50 132.00 123.53 2dna h PRO 64 Ca -0.01 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.13 2dna h PRO 64 Cb 0.02 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.06 2dna h PRO 64 CO 0.00 0.69 -1.26 0.45 -0.23 0.00 0.00 178.00 177.66 2dna n SER 65 N -4.75 -1.98 -3.66 1.44 2.88 -1.26 -5.07 113.62 101.22 2dna n SER 65 Ca -0.09 1.16 -0.07 0.00 -1.33 0.00 0.00 58.87 58.54 2dna n SER 65 Cb 0.35 -4.65 -0.08 0.00 -0.75 0.00 0.00 64.21 59.09 2dna n SER 65 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dna s SER 66 N -0.75 -0.71 0.00 -3.46 0.15 -1.26 -5.32 113.70 102.36 2dna s SER 66 Ca -0.19 1.24 0.03 0.00 0.70 0.00 0.00 55.95 57.72 2dna s SER 66 Cb 0.01 1.44 0.02 0.00 -1.71 0.00 0.00 66.02 65.78 2dna s SER 66 CO 0.68 -0.22 0.59 0.61 1.20 0.00 0.00 173.24 176.09