#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dna s SER 2 N 0.00 3.40 -0.39 1.61 0.15 -1.26 -4.95 113.70 112.26 2dna s SER 2 Ca 0.00 -2.96 -0.34 0.00 0.70 0.00 0.00 55.95 53.35 2dna s SER 2 Cb 0.00 -1.01 0.05 0.00 -1.71 0.00 0.00 66.02 63.35 2dna s SER 2 CO 0.00 -0.21 0.57 -0.24 1.20 0.00 0.00 173.24 174.56 2dna n SER 3 N 3.09 -5.65 -3.64 5.45 2.88 -1.26 -4.99 113.62 109.50 2dna n SER 3 Ca 0.16 -0.08 -0.03 0.00 -1.33 0.00 0.00 58.87 57.59 2dna n SER 3 Cb 0.38 -1.63 -0.07 0.00 -0.75 0.00 0.00 64.21 62.14 2dna n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dna s GLY 4 N -1.40 0.01 -0.92 0.46 0.00 -1.26 -5.10 107.32 99.12 2dna s GLY 4 Ca 0.33 3.14 -0.20 0.00 0.00 0.00 0.00 44.72 47.99 2dna s GLY 4 CO 0.75 2.54 1.18 -0.56 0.00 0.00 0.00 173.10 177.02 2dna s SER 5 N 1.24 6.55 0.05 1.64 0.01 -1.26 -4.76 113.70 117.17 2dna s SER 5 Ca -0.08 -1.80 -0.34 0.00 1.31 0.00 0.00 55.95 55.04 2dna s SER 5 Cb -0.04 -2.44 -0.19 0.00 0.21 0.00 0.00 66.02 63.56 2dna s SER 5 CO -0.14 -1.21 1.48 0.28 0.41 0.00 0.00 173.24 174.06 2dna h SER 6 N 9.13 -0.98 -0.29 2.44 0.02 -1.99 -3.49 113.55 118.39 2dna h SER 6 Ca 0.12 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2dna h SER 6 Cb 1.03 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2dna h SER 6 CO 1.19 -0.66 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 2dna n GLY 7 N -1.39 -0.19 3.81 -3.77 0.00 -1.26 -5.08 105.19 97.31 2dna n GLY 7 Ca -0.15 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.07 3.34 0.20 1.61 0.04 -1.26 -4.76 135.00 134.09 2dna s PRO 8 Ca 0.00 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2dna s PRO 8 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2dna s PRO 8 CO 0.00 -0.79 0.00 0.43 0.04 0.00 0.00 177.00 176.68 2dna n SER 9 N -2.14 -8.04 -4.47 6.66 7.64 -1.26 -4.78 113.62 107.23 2dna n SER 9 Ca 0.08 1.18 -0.39 0.00 1.01 0.00 0.00 58.87 60.75 2dna n SER 9 Cb 0.53 -4.47 0.02 0.00 -1.01 0.00 0.00 64.21 59.29 2dna n SER 9 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2dna n HIS 10 N 1.49 -0.52 -2.48 1.43 8.25 -1.26 -4.09 115.22 118.03 2dna n HIS 10 Ca 0.00 0.50 -0.01 0.00 -0.26 0.00 0.00 57.72 57.95 2dna n HIS 10 Cb 0.00 -1.98 0.00 0.00 1.12 0.00 0.00 29.99 29.13 2dna n HIS 10 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2dna n SER 11 N 0.80 -6.79 -3.15 0.41 7.64 -1.26 -5.07 113.62 106.19 2dna n SER 11 Ca 0.11 1.02 0.05 0.00 1.01 0.00 0.00 58.87 61.07 2dna n SER 11 Cb 0.44 -4.47 -0.00 0.00 -1.01 0.00 0.00 64.21 59.18 2dna n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dna s LEU 12 N -1.47 -0.56 0.11 -3.43 1.43 -1.26 -5.09 118.68 108.42 2dna s LEU 12 Ca 0.03 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2dna s LEU 12 Cb -0.01 1.36 -0.04 0.00 0.03 0.00 0.00 46.19 47.53 2dna s LEU 12 CO 0.62 -0.10 -0.08 -1.58 0.23 0.00 0.00 176.35 175.44 2dna s GLN 13 N 2.94 0.90 0.75 1.70 0.74 -1.26 -4.83 119.66 120.60 2dna s GLN 13 Ca 0.23 -1.36 -0.16 0.00 0.05 0.00 0.00 55.36 54.12 2dna s GLN 13 Cb -0.04 -0.35 -0.06 0.00 1.10 0.00 0.00 33.01 33.67 2dna s GLN 13 CO -0.22 0.01 0.30 0.00 -0.55 0.00 0.00 175.29 174.83 2dna n ALA 14 N -0.07 -2.22 0.04 1.58 0.00 -1.26 -4.84 120.51 113.74 2dna n ALA 14 Ca -0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.00 2dna n ALA 14 Cb 0.61 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.51 -0.15 -0.94 0.00 0.13 -2.00 -2.47 132.00 126.07 2dna h PRO 15 Ca -0.45 0.01 0.28 0.00 -0.87 0.00 0.00 66.00 64.98 2dna h PRO 15 Cb 1.35 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.36 2dna h PRO 15 CO 0.40 -0.10 0.32 1.05 -0.23 0.00 0.00 178.00 179.44 2dna h GLU 16 N -0.50 0.18 -0.64 0.86 -0.00 -1.92 1.26 114.58 113.83 2dna h GLU 16 Ca -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.32 2dna h GLU 16 Cb 0.12 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 28.80 2dna h GLU 16 CO 0.03 0.12 0.35 0.28 -0.00 0.00 0.00 179.01 179.78 2dna h VAL 17 N 0.19 1.21 0.37 -1.06 2.07 -1.95 1.30 116.25 118.38 2dna h VAL 17 Ca 0.64 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2dna h VAL 17 Cb 1.39 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2dna h VAL 17 CO -0.69 0.23 -0.18 -0.09 0.02 0.00 0.00 177.57 176.86 2dna h ARG 18 N 0.87 -0.48 -1.08 1.57 2.43 0.18 -3.05 114.38 114.83 2dna h ARG 18 Ca 0.22 0.03 -0.50 0.00 -0.81 0.00 0.00 59.98 58.92 2dna h ARG 18 Cb 0.05 0.11 -0.25 0.00 -0.42 0.00 0.00 29.97 29.46 2dna h ARG 18 CO -0.04 -0.20 0.65 1.19 -1.51 0.00 0.00 179.97 180.06 2dna n PHE 19 N -5.21 2.65 -0.09 2.20 3.72 0.13 -4.45 117.46 116.41 2dna n PHE 19 Ca -0.10 -2.16 -0.13 0.00 -0.05 0.00 0.00 57.45 55.01 2dna n PHE 19 Cb 0.27 -1.07 -0.04 0.00 -0.94 0.00 0.00 39.48 37.69 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 1.33 0.64 -0.40 4.37 4.64 0.18 -0.79 113.55 123.52 2dna h SER 20 Ca 0.53 -0.44 0.12 0.00 -0.47 0.00 0.00 61.79 61.52 2dna h SER 20 Cb 1.73 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.62 2dna h SER 20 CO 1.13 0.95 0.35 0.11 -0.87 0.00 0.00 176.83 178.50 2dna h LYS 21 N 0.34 0.00 0.00 4.77 1.79 -1.82 -1.53 116.57 120.12 2dna h LYS 21 Ca 0.05 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 2dna h LYS 21 Cb 0.74 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 2dna h LYS 21 CO 0.05 0.00 -0.32 0.93 -1.08 0.00 0.00 179.45 179.03 2dna h GLU 22 N 0.00 0.00 -1.38 3.15 3.07 -1.80 -3.12 114.58 114.51 2dna h GLU 22 Ca 0.19 0.00 0.40 0.00 -0.50 0.00 0.00 59.36 59.45 2dna h GLU 22 Cb 0.89 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.73 2dna h GLU 22 CO -0.00 0.77 0.97 0.52 -1.40 0.00 0.00 179.01 179.86 2dna h MET 23 N -1.00 0.06 -0.00 2.33 2.86 -0.21 0.53 114.93 119.50 2dna h MET 23 Ca -0.08 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2dna h MET 23 Cb 0.87 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2dna h MET 23 CO -0.05 0.04 -0.15 0.93 1.06 0.00 0.00 176.91 178.74 2dna h GLU 24 N 0.06 0.10 -0.89 1.72 4.39 -1.43 -2.40 114.58 116.13 2dna h GLU 24 Ca 0.70 -0.11 0.07 0.00 0.34 0.00 0.00 59.36 60.36 2dna h GLU 24 Cb 2.59 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 31.20 2dna h GLU 24 CO -0.10 0.87 0.55 0.00 -1.16 0.00 0.00 179.01 179.17 2dna h LEU 26 N 0.99 -1.18 -1.00 0.00 3.38 -0.47 -2.67 115.31 114.35 2dna h LEU 26 Ca 0.40 0.06 0.20 0.00 0.09 0.00 0.00 57.88 58.63 2dna h LEU 26 Cb 0.22 0.34 -0.19 0.00 0.09 0.00 0.00 40.66 41.12 2dna h LEU 26 CO -0.19 -0.75 -0.25 1.67 0.09 0.00 0.00 178.44 179.01 2dna n GLN 27 N -5.48 -0.09 -0.19 1.13 0.00 -0.90 0.97 117.38 112.82 2dna n GLN 27 Ca -0.15 1.56 -0.04 0.00 -0.00 0.00 0.00 57.00 58.37 2dna n GLN 27 Cb 0.49 -2.33 0.02 0.00 0.00 0.00 0.00 30.24 28.43 2dna n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2dna h ALA 28 N 2.00 0.10 -0.38 1.69 0.00 -1.04 0.80 119.26 122.42 2dna h ALA 28 Ca 0.48 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.65 2dna h ALA 28 Cb 0.73 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2dna h ALA 28 CO -1.03 -0.59 0.27 0.52 0.00 0.00 0.00 179.25 178.42 2dna h MET 29 N -0.12 0.15 0.00 0.00 2.86 0.87 -3.45 114.93 115.23 2dna h MET 29 Ca 0.25 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2dna h MET 29 Cb 0.52 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2dna h MET 29 CO -0.64 0.10 0.00 0.41 1.06 0.00 0.00 176.91 177.84 2dna n GLY 30 N -1.57 1.15 3.35 8.32 0.00 0.28 -5.04 105.19 111.67 2dna n GLY 30 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 2.38 0.18 1.61 3.72 -1.07 -4.62 117.46 119.66 2dna n PHE 31 Ca 0.00 -1.68 0.02 0.00 -0.05 0.00 0.00 57.45 55.75 2dna n PHE 31 Cb 0.00 -2.18 0.33 0.00 -0.94 0.00 0.00 39.48 36.69 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 5.32 1.24 -0.37 -4.37 -1.51 -1.85 -3.24 116.25 111.47 2dna h VAL 32 Ca 0.33 -1.48 -0.37 0.00 -1.23 0.00 0.00 66.70 63.95 2dna h VAL 32 Cb 0.80 1.81 -0.06 0.00 -2.13 0.00 0.00 31.29 31.71 2dna h VAL 32 CO 1.59 0.41 1.53 -3.20 -1.23 0.00 0.00 177.57 176.67 2dna n ASN 33 N -3.94 0.41 0.03 4.19 5.15 -1.26 -4.75 115.26 115.08 2dna n ASN 33 Ca -0.02 -0.45 -0.02 0.00 -0.60 0.00 0.00 54.58 53.50 2dna n ASN 33 Cb 0.46 -1.06 -0.01 0.00 -0.53 0.00 0.00 39.78 38.65 2dna n ASN 33 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2dna h TYR 34 N 13.30 -0.10 -0.99 1.20 3.20 -1.98 -0.66 116.97 130.94 2dna h TYR 34 Ca -0.05 -0.00 0.35 0.00 3.14 0.00 0.00 58.73 62.17 2dna h TYR 34 Cb 1.20 0.03 -0.17 0.00 1.54 0.00 0.00 36.73 39.33 2dna h TYR 34 CO 1.17 -0.06 0.37 -0.97 -1.64 0.00 0.00 178.16 177.02 2dna h ASN 35 N -0.48 0.08 0.23 -2.11 -1.24 -1.99 1.27 115.58 111.35 2dna h ASN 35 Ca -0.01 0.25 -0.01 0.00 0.71 0.00 0.00 56.30 57.24 2dna h ASN 35 Cb 0.09 0.32 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2dna h ASN 35 CO 0.02 -0.36 -0.11 0.00 -1.29 0.00 0.00 177.43 175.69 2dna h ALA 36 N 1.96 -0.66 -0.83 1.57 0.00 -1.94 -2.35 119.26 117.01 2dna h ALA 36 Ca 0.74 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.74 2dna h ALA 36 Cb 1.79 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 19.55 2dna h ALA 36 CO -0.79 -0.64 -0.26 -0.91 0.00 0.00 0.00 179.25 176.65 2dna h ASN 37 N -0.49 -0.96 -0.07 0.00 2.35 0.63 0.47 115.58 117.51 2dna h ASN 37 Ca -0.03 0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 2dna h ASN 37 Cb 0.24 0.57 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 2dna h ASN 37 CO 0.05 -0.29 -0.11 0.25 -1.65 0.00 0.00 177.43 175.69 2dna h LEU 38 N -0.03 -0.36 -0.33 1.61 6.46 0.15 0.88 115.31 123.69 2dna h LEU 38 Ca 0.37 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.24 2dna h LEU 38 Cb 0.60 0.15 -0.08 0.00 -0.73 0.00 0.00 40.66 40.60 2dna h LEU 38 CO -0.86 -0.08 -0.34 1.56 -0.62 0.00 0.00 178.44 178.10 2dna h GLN 39 N -0.09 -0.29 -0.51 1.25 4.20 -0.57 -0.84 115.11 118.26 2dna h GLN 39 Ca 0.01 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.83 2dna h GLN 39 Cb 0.12 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.86 2dna h GLN 39 CO -0.11 -0.19 -0.40 0.00 -0.67 0.00 0.00 178.83 177.46 2dna h ALA 40 N 0.63 -0.27 -0.50 3.87 0.00 0.55 0.89 119.26 124.43 2dna h ALA 40 Ca 0.15 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.26 2dna h ALA 40 Cb 0.55 0.87 -0.10 0.00 0.00 0.00 0.00 17.79 19.10 2dna h ALA 40 CO -0.49 -0.79 -0.34 -0.07 0.00 0.00 0.00 179.25 177.56 2dna h LEU 41 N -0.24 -1.16 -0.92 0.00 3.38 0.20 1.37 115.31 117.95 2dna h LEU 41 Ca 0.18 0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.41 2dna h LEU 41 Cb 0.56 0.55 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 2dna h LEU 41 CO -0.64 -0.32 0.59 0.40 0.09 0.00 0.00 178.44 178.57 2dna h ILE 42 N -0.21 1.10 0.00 1.22 2.04 0.43 1.29 117.51 123.38 2dna h ILE 42 Ca 0.20 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2dna h ILE 42 Cb 0.55 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2dna h ILE 42 CO -0.61 0.20 -0.13 0.00 0.00 0.00 0.00 178.15 177.60 2dna h ALA 43 N 1.40 1.14 -0.25 1.87 0.00 0.51 -1.81 119.26 122.13 2dna h ALA 43 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2dna h ALA 43 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dna h ALA 43 CO -0.15 0.17 0.00 0.25 0.00 0.00 0.00 179.25 179.52 2dna n THR 44 N -3.45 2.07 -3.81 0.00 -2.24 0.43 -4.99 114.28 102.28 2dna n THR 44 Ca -0.01 -1.78 -0.27 0.00 -2.27 0.00 0.00 64.05 59.72 2dna n THR 44 Cb 0.30 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 2dna n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2dna n ASP 45 N -0.45 -4.85 -3.25 3.42 -0.08 0.41 -2.99 116.55 108.75 2dna n ASP 45 Ca 0.19 -0.99 -0.26 0.00 -1.51 0.00 0.00 54.79 52.22 2dna n ASP 45 Cb 0.80 -1.80 0.03 0.00 2.34 0.00 0.00 41.12 42.49 2dna n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dna n GLY 46 N -1.71 -0.44 3.04 0.27 0.00 0.98 -4.97 105.19 102.36 2dna n GLY 46 Ca -0.28 1.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.86 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 -1.85 -0.65 0.07 1.61 -1.08 -1.16 -5.04 116.67 108.57 2dna s ASP 47 Ca 0.32 0.32 -0.25 0.00 -0.52 0.00 0.00 52.55 52.42 2dna s ASP 47 Cb -0.05 1.65 -0.16 0.00 -1.46 0.00 0.00 42.92 42.90 2dna s ASP 47 CO 0.81 -0.30 1.65 0.71 0.52 0.00 0.00 175.17 178.56 2dna h THR 48 N 6.08 0.91 -0.48 1.71 1.35 -1.95 0.12 112.91 120.66 2dna h THR 48 Ca -0.15 -0.14 0.05 0.00 -0.55 0.00 0.00 66.41 65.62 2dna h THR 48 Cb 1.16 1.00 -0.07 0.00 -1.73 0.00 0.00 68.15 68.50 2dna h THR 48 CO 0.24 0.03 -0.41 -1.13 -0.25 0.00 0.00 175.52 174.00 2dna h ASN 49 N -0.24 -1.45 -0.19 5.36 -1.24 -1.98 1.33 115.58 117.18 2dna h ASN 49 Ca -0.02 0.20 0.04 0.00 0.71 0.00 0.00 56.30 57.24 2dna h ASN 49 Cb 0.19 0.61 -0.04 0.00 0.73 0.00 0.00 38.32 39.81 2dna h ASN 49 CO 0.03 -0.24 -0.09 0.00 -1.29 0.00 0.00 177.43 175.84 2dna h ALA 50 N -0.19 0.07 -0.51 1.57 0.00 -1.92 0.61 119.26 118.90 2dna h ALA 50 Ca 0.08 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.16 2dna h ALA 50 Cb 0.37 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 2dna h ALA 50 CO -0.54 -0.52 -0.23 0.00 0.00 0.00 0.00 179.25 177.96 2dna h ALA 51 N 1.10 0.13 0.40 0.00 0.00 0.14 0.43 119.26 121.45 2dna h ALA 51 Ca 0.10 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2dna h ALA 51 Cb 0.21 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2dna h ALA 51 CO -0.23 -0.57 -0.32 0.82 0.00 0.00 0.00 179.25 178.96 2dna h ILE 52 N -0.12 0.00 -0.91 0.00 2.04 0.25 0.53 117.51 119.30 2dna h ILE 52 Ca 0.23 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.31 2dna h ILE 52 Cb 0.48 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.40 2dna h ILE 52 CO -0.58 0.00 -0.06 0.22 0.00 0.00 0.00 178.15 177.72 2dna h TYR 53 N -0.70 -0.20 0.72 1.37 3.20 -0.19 0.65 116.97 121.83 2dna h TYR 53 Ca -0.05 0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2dna h TYR 53 Cb 0.58 0.23 0.01 0.00 1.54 0.00 0.00 36.73 39.09 2dna h TYR 53 CO -0.12 -0.37 -0.35 0.87 -1.64 0.00 0.00 178.16 176.55 2dna h LYS 54 N 0.03 -0.94 -0.43 1.82 1.57 0.21 -1.50 116.57 117.33 2dna h LYS 54 Ca 0.50 0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.39 2dna h LYS 54 Cb 0.92 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.37 2dna h LYS 54 CO -0.87 -0.62 -0.44 -0.07 -0.57 0.00 0.00 179.45 176.88 2dna h LEU 55 N -1.08 -1.51 -0.67 2.94 3.38 0.17 -0.13 115.31 118.40 2dna h LEU 55 Ca -0.10 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2dna h LEU 55 Cb 0.74 0.63 -0.08 0.00 0.09 0.00 0.00 40.66 42.04 2dna h LEU 55 CO 0.16 -0.28 -0.43 0.11 0.09 0.00 0.00 178.44 178.09 2dna h LYS 56 N -0.23 -0.04 -0.90 1.13 1.79 0.20 0.18 116.57 118.70 2dna h LYS 56 Ca 0.07 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.65 2dna h LYS 56 Cb 0.43 0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 30.96 2dna h LYS 56 CO -0.53 -0.02 -0.50 1.03 -1.08 0.00 0.00 179.45 178.34 2dna h SER 57 N -0.04 -1.83 -0.33 0.86 0.87 -0.11 0.16 113.55 113.13 2dna h SER 57 Ca 0.11 0.31 0.04 0.00 -1.23 0.00 0.00 61.79 61.02 2dna h SER 57 Cb 0.32 0.84 -0.07 0.00 -0.44 0.00 0.00 62.40 63.05 2dna h SER 57 CO -0.65 -0.27 -0.49 -1.28 -0.53 0.00 0.00 176.83 173.60 2dna h SER 58 N -0.06 -1.64 -3.16 6.23 0.87 0.10 -3.42 113.55 112.47 2dna h SER 58 Ca 0.21 0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.91 2dna h SER 58 Cb 0.50 0.67 -0.25 0.00 -0.44 0.00 0.00 62.40 62.88 2dna h SER 58 CO -0.90 -0.37 -0.20 -1.58 -0.53 0.00 0.00 176.83 173.26 2dna s GLN 59 N -5.34 0.49 0.00 2.24 0.74 0.03 -5.11 119.66 112.71 2dna s GLN 59 Ca -0.13 0.93 0.00 0.00 0.05 0.00 0.00 55.36 56.21 2dna s GLN 59 Cb 0.07 0.03 0.00 0.00 1.10 0.00 0.00 33.01 34.21 2dna s GLN 59 CO 0.54 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.54 2dna n GLY 60 N 4.27 1.22 2.93 2.59 0.00 -1.12 -4.18 105.19 110.90 2dna n GLY 60 Ca -0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 2dna n GLY 60 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dna n PHE 61 N -0.01 -1.68 -3.68 1.61 3.01 -1.26 -4.99 117.46 110.46 2dna n PHE 61 Ca 0.00 0.92 -0.30 0.00 1.01 0.00 0.00 57.45 59.08 2dna n PHE 61 Cb 0.00 -2.13 -0.15 0.00 -0.01 0.00 0.00 39.48 37.19 2dna n PHE 61 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2dna s SER 62 N -0.53 3.82 0.63 4.37 0.01 -1.26 -5.08 113.70 115.66 2dna s SER 62 Ca -0.08 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.42 2dna s SER 62 Cb 0.01 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.47 2dna s SER 62 CO 0.30 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2dna n GLY 63 N 4.68 -3.53 3.68 3.44 0.00 -1.26 -4.73 105.19 107.47 2dna n GLY 63 Ca -0.00 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2dna n GLY 63 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dna s PRO 64 N -4.63 4.31 -0.11 1.61 0.04 -1.26 -4.91 135.00 130.05 2dna s PRO 64 Ca 0.00 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 2dna s PRO 64 Cb 0.00 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 2dna s PRO 64 CO 0.00 -0.54 -0.26 0.45 0.04 0.00 0.00 177.00 176.69 2dna n SER 65 N 5.69 1.71 -4.00 6.66 2.88 -1.26 -4.91 113.62 120.38 2dna n SER 65 Ca 0.12 0.28 -0.31 0.00 -1.33 0.00 0.00 58.87 57.63 2dna n SER 65 Cb 0.46 -0.64 -0.15 0.00 -0.75 0.00 0.00 64.21 63.13 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 -5.90 4.68 0.00 -3.46 0.15 -1.26 -5.29 113.70 102.62 2dna s SER 66 Ca -0.22 -2.30 0.00 0.00 0.70 0.00 0.00 55.95 54.14 2dna s SER 66 Cb 0.03 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 2dna s SER 66 CO 0.32 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.01