#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 -1.17 0.05 1.61 0.15 -1.26 -5.13 113.70 107.95 2dna s SER 2 Ca 0.00 0.22 -0.35 0.00 0.70 0.00 0.00 55.95 56.52 2dna s SER 2 Cb 0.00 1.78 -0.14 0.00 -1.71 0.00 0.00 66.02 65.94 2dna s SER 2 CO 0.00 -0.21 1.60 -1.20 1.20 0.00 0.00 173.24 174.63 2dna n SER 3 N 5.33 2.75 0.00 5.45 7.64 -1.26 -4.59 113.62 128.94 2dna n SER 3 Ca 0.05 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2dna n SER 3 Cb 0.55 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2dna n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dna n GLY 4 N 3.48 -1.78 2.64 0.23 0.00 -1.26 -4.86 105.19 103.64 2dna n GLY 4 Ca 0.19 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 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 -4.00 2.68 -0.22 1.61 1.04 -1.26 -5.00 113.70 108.56 2dna s SER 5 Ca 0.00 -1.04 -0.14 0.00 0.48 0.00 0.00 55.95 55.25 2dna s SER 5 Cb 0.00 0.04 -0.09 0.00 0.10 0.00 0.00 66.02 66.07 2dna s SER 5 CO 0.00 -0.42 -0.33 -0.24 0.98 0.00 0.00 173.24 173.24 2dna n SER 6 N 5.28 1.82 0.00 7.02 2.88 -1.26 -5.05 113.62 124.31 2dna n SER 6 Ca -0.04 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2dna n SER 6 Cb 0.44 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2dna n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dna n GLY 7 N 1.49 -0.56 3.45 0.46 0.00 -1.26 -5.07 105.19 103.71 2dna n GLY 7 Ca -0.36 0.74 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 2.38 -4.44 1.61 -0.04 -1.26 -4.90 135.00 128.34 2dna n PRO 8 Ca 0.00 -2.76 -0.24 0.00 -0.04 0.00 0.00 63.50 60.46 2dna n PRO 8 Cb 0.00 -3.51 -0.10 0.00 -0.04 0.00 0.00 33.50 29.84 2dna n PRO 8 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dna s SER 9 N 5.08 3.41 -0.16 3.54 1.04 -1.26 -4.92 113.70 120.43 2dna s SER 9 Ca 0.59 -1.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 2dna s SER 9 Cb 0.04 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.90 2dna s SER 9 CO 0.09 0.03 0.02 1.57 0.98 0.00 0.00 173.24 175.93 2dna n HIS 10 N -0.41 -2.23 -3.66 5.02 -0.00 -1.26 -5.03 115.22 107.64 2dna n HIS 10 Ca -0.07 1.04 -0.11 0.00 -0.00 0.00 0.00 57.72 58.58 2dna n HIS 10 Cb 0.59 -2.64 -0.11 0.00 -0.00 0.00 0.00 29.99 27.83 2dna n HIS 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2dna s SER 11 N -1.21 0.00 -0.74 0.26 0.15 -1.26 -5.08 113.70 105.82 2dna s SER 11 Ca -0.02 0.81 0.04 0.00 0.70 0.00 0.00 55.95 57.47 2dna s SER 11 Cb 0.00 1.03 0.19 0.00 -1.71 0.00 0.00 66.02 65.53 2dna s SER 11 CO 0.43 -0.23 0.58 0.18 1.20 0.00 0.00 173.24 175.39 2dna n LEU 12 N 5.32 3.33 -4.29 3.45 4.77 -1.26 -5.06 117.00 123.27 2dna n LEU 12 Ca -0.08 -5.22 -0.18 0.00 -0.03 0.00 0.00 56.01 50.50 2dna n LEU 12 Cb 0.50 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 2dna n LEU 12 CO 0.02 1.75 -0.44 -1.58 -1.33 0.00 0.00 177.39 175.80 2dna s GLN 13 N -1.56 1.16 0.68 3.23 0.74 -1.26 -5.12 119.66 117.52 2dna s GLN 13 Ca 0.27 -1.42 -0.17 0.00 0.05 0.00 0.00 55.36 54.09 2dna s GLN 13 Cb -0.03 -0.97 -0.09 0.00 1.10 0.00 0.00 33.01 33.02 2dna s GLN 13 CO -0.15 0.17 0.19 0.00 -0.55 0.00 0.00 175.29 174.96 2dna n ALA 14 N 0.06 -2.36 0.02 1.58 0.00 -1.26 -4.84 120.51 113.72 2dna n ALA 14 Ca -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.09 2dna n ALA 14 Cb 0.59 -1.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.28 -0.08 -0.92 0.00 0.13 -2.00 -2.31 132.00 126.55 2dna h PRO 15 Ca -0.44 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.82 2dna h PRO 15 Cb 1.38 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.39 2dna h PRO 15 CO 0.41 -0.05 -0.45 1.49 -0.23 0.00 0.00 178.00 179.16 2dna h GLU 16 N -0.27 -0.04 -0.94 0.86 4.22 -1.92 1.62 114.58 118.11 2dna h GLU 16 Ca -0.01 0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.54 2dna h GLU 16 Cb 0.06 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 2dna h GLU 16 CO 0.01 -0.03 0.60 0.28 -2.18 0.00 0.00 179.01 177.70 2dna h VAL 17 N -0.04 0.94 0.46 0.32 2.07 -1.96 1.39 116.25 119.42 2dna h VAL 17 Ca 0.26 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2dna h VAL 17 Cb 0.54 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2dna h VAL 17 CO -0.92 0.17 -0.22 0.03 0.02 0.00 0.00 177.57 176.65 2dna h ARG 18 N 0.91 -0.59 -1.94 1.57 2.47 0.26 -3.28 114.38 113.77 2dna h ARG 18 Ca 0.45 0.04 -0.67 0.00 -1.26 0.00 0.00 59.98 58.54 2dna h ARG 18 Cb 0.47 0.13 -0.36 0.00 -1.65 0.00 0.00 29.97 28.57 2dna h ARG 18 CO -0.21 -0.31 0.02 1.19 0.56 0.00 0.00 179.97 181.22 2dna n PHE 19 N -5.28 3.36 -0.09 3.04 3.72 0.21 -4.71 117.46 117.70 2dna n PHE 19 Ca -0.11 -3.05 -0.16 0.00 -0.05 0.00 0.00 57.45 54.09 2dna n PHE 19 Cb 0.29 -0.63 -0.09 0.00 -0.94 0.00 0.00 39.48 38.11 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 3.05 0.00 -1.13 4.37 4.64 0.18 -3.06 113.55 121.60 2dna h SER 20 Ca 0.36 -0.40 0.33 0.00 -0.47 0.00 0.00 61.79 61.61 2dna h SER 20 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.55 2dna h SER 20 CO 1.04 1.22 0.96 0.11 -0.87 0.00 0.00 176.83 179.28 2dna h LYS 21 N -1.00 0.00 0.00 4.77 1.57 -1.84 0.28 116.57 120.35 2dna h LYS 21 Ca -0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2dna h LYS 21 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 2dna h LYS 21 CO -0.13 0.00 -0.02 0.93 -0.57 0.00 0.00 179.45 179.66 2dna h GLU 22 N 0.00 0.00 -1.05 3.15 3.07 -1.92 -3.05 114.58 114.78 2dna h GLU 22 Ca 0.54 0.00 0.30 0.00 -0.50 0.00 0.00 59.36 59.70 2dna h GLU 22 Cb 2.44 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 30.31 2dna h GLU 22 CO -0.01 0.56 0.86 0.52 -1.40 0.00 0.00 179.01 179.54 2dna h MET 23 N -1.00 0.00 0.13 2.33 2.86 -0.39 1.00 114.93 119.86 2dna h MET 23 Ca -0.00 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 2dna h MET 23 Cb 0.57 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.25 2dna h MET 23 CO -0.00 0.00 -1.26 0.93 1.06 0.00 0.00 176.91 177.64 2dna h GLU 24 N 0.00 0.55 -0.37 1.72 5.08 -1.25 -2.56 114.58 117.75 2dna h GLU 24 Ca 0.50 -0.77 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 2dna h GLU 24 Cb 2.22 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 31.72 2dna h GLU 24 CO -0.01 1.35 -0.06 0.00 -1.00 0.00 0.00 179.01 179.29 2dna h LEU 26 N 0.50 -0.98 -0.94 0.00 3.38 -0.58 -2.43 115.31 114.27 2dna h LEU 26 Ca 0.10 0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.35 2dna h LEU 26 Cb 0.56 0.30 -0.18 0.00 0.09 0.00 0.00 40.66 41.44 2dna h LEU 26 CO 0.03 -0.53 -0.15 0.00 0.09 0.00 0.00 178.44 177.88 2dna n GLN 27 N -4.68 -0.08 -0.11 1.13 1.13 -0.96 0.11 117.38 113.92 2dna n GLN 27 Ca -0.10 1.44 -0.08 0.00 -1.94 0.00 0.00 57.00 56.32 2dna n GLN 27 Cb 0.36 -2.20 -0.02 0.00 0.11 0.00 0.00 30.24 28.49 2dna n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dna h ALA 28 N 1.87 -0.21 -0.55 -1.58 0.00 -1.13 0.52 119.26 118.19 2dna h ALA 28 Ca 0.49 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.64 2dna h ALA 28 Cb 0.85 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2dna h ALA 28 CO -0.94 -0.74 0.39 0.52 0.00 0.00 0.00 179.25 178.49 2dna h MET 29 N -0.27 0.08 0.00 0.00 2.86 0.11 -3.44 114.93 114.27 2dna h MET 29 Ca 0.16 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2dna h MET 29 Cb 0.54 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2dna h MET 29 CO -0.52 0.05 0.00 0.41 1.06 0.00 0.00 176.91 177.91 2dna n GLY 30 N -1.62 1.09 3.52 8.32 0.00 0.18 -5.05 105.19 111.64 2dna n GLY 30 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 2.47 0.15 1.61 3.72 -1.06 -4.63 117.46 119.73 2dna n PHE 31 Ca 0.00 -1.40 0.02 0.00 -0.05 0.00 0.00 57.45 56.02 2dna n PHE 31 Cb 0.00 -2.49 0.21 0.00 -0.94 0.00 0.00 39.48 36.26 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 5.97 1.15 -0.39 -4.37 -1.51 -1.86 -3.14 116.25 112.10 2dna h VAL 32 Ca 0.23 -1.97 -0.26 0.00 -1.23 0.00 0.00 66.70 63.47 2dna h VAL 32 Cb 0.91 2.13 -0.05 0.00 -2.13 0.00 0.00 31.29 32.15 2dna h VAL 32 CO 1.31 0.52 1.16 0.59 -1.23 0.00 0.00 177.57 179.92 2dna n ASN 33 N -3.58 0.64 0.04 4.19 3.02 -1.26 -4.74 115.26 113.57 2dna n ASN 33 Ca -0.00 -0.81 -0.02 0.00 -0.03 0.00 0.00 54.58 53.72 2dna n ASN 33 Cb 0.61 -1.19 -0.01 0.00 -0.61 0.00 0.00 39.78 38.57 2dna n ASN 33 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2dna h TYR 34 N 13.22 -0.14 -1.47 3.10 3.20 -1.98 0.25 116.97 133.15 2dna h TYR 34 Ca -0.03 -0.00 0.43 0.00 3.14 0.00 0.00 58.73 62.26 2dna h TYR 34 Cb 1.13 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.39 2dna h TYR 34 CO 1.19 -0.09 1.19 -0.91 -1.64 0.00 0.00 178.16 177.90 2dna h ASN 35 N -0.46 0.00 0.00 -2.11 2.35 -1.99 0.60 115.58 113.97 2dna h ASN 35 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2dna h ASN 35 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2dna h ASN 35 CO 0.03 0.00 -0.07 0.00 -1.65 0.00 0.00 177.43 175.74 2dna h ALA 36 N 1.00 0.00 -0.89 -0.83 0.00 -1.93 -3.05 119.26 113.56 2dna h ALA 36 Ca 0.70 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.63 2dna h ALA 36 Cb 3.06 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 20.77 2dna h ALA 36 CO -0.01 0.07 -0.37 -0.91 0.00 0.00 0.00 179.25 178.03 2dna h ASN 37 N -0.39 -1.35 -0.01 0.00 2.35 0.15 0.30 115.58 116.63 2dna h ASN 37 Ca 0.00 0.29 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2dna h ASN 37 Cb 0.07 0.71 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2dna h ASN 37 CO 0.00 -0.29 -0.10 0.25 -1.65 0.00 0.00 177.43 175.64 2dna h LEU 38 N -0.04 -0.32 -0.95 1.61 6.46 -0.06 0.81 115.31 122.81 2dna h LEU 38 Ca 0.32 0.04 0.19 0.00 -0.12 0.00 0.00 57.88 58.30 2dna h LEU 38 Cb 0.59 0.12 -0.18 0.00 -0.73 0.00 0.00 40.66 40.46 2dna h LEU 38 CO -0.91 -0.10 -0.26 1.56 -0.62 0.00 0.00 178.44 178.12 2dna h GLN 39 N -0.12 -0.00 0.39 1.25 4.20 -1.02 0.38 115.11 120.18 2dna h GLN 39 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2dna h GLN 39 Cb 0.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2dna h GLN 39 CO -0.07 -0.00 -0.33 0.00 -0.67 0.00 0.00 178.83 177.76 2dna h ALA 40 N 1.87 -0.74 -0.48 3.87 0.00 0.43 0.12 119.26 124.33 2dna h ALA 40 Ca 0.44 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.28 2dna h ALA 40 Cb 0.68 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 2dna h ALA 40 CO -0.98 -0.95 -0.51 -0.07 0.00 0.00 0.00 179.25 176.74 2dna h LEU 41 N -0.73 -1.75 -1.18 0.00 3.38 0.45 0.85 115.31 116.33 2dna h LEU 41 Ca -0.03 0.24 0.21 0.00 0.09 0.00 0.00 57.88 58.38 2dna h LEU 41 Cb 0.64 0.73 -0.10 0.00 0.09 0.00 0.00 40.66 42.02 2dna h LEU 41 CO -0.03 -0.33 0.62 0.40 0.09 0.00 0.00 178.44 179.19 2dna h ILE 42 N -0.29 0.66 -0.13 1.22 2.04 -0.58 1.58 117.51 122.01 2dna h ILE 42 Ca 0.08 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2dna h ILE 42 Cb 0.51 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2dna h ILE 42 CO -0.60 0.11 -0.11 0.00 0.00 0.00 0.00 178.15 177.55 2dna h ALA 43 N 1.64 1.58 -0.30 1.87 0.00 0.32 -1.68 119.26 122.69 2dna h ALA 43 Ca 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2dna h ALA 43 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2dna h ALA 43 CO -0.32 0.30 0.00 0.25 0.00 0.00 0.00 179.25 179.48 2dna n THR 44 N -4.31 2.27 -4.29 0.00 -2.24 0.37 -4.96 114.28 101.13 2dna n THR 44 Ca -0.01 -1.78 -0.32 0.00 -2.27 0.00 0.00 64.05 59.67 2dna n THR 44 Cb 0.24 -0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.32 0.52 -1.92 3.42 2.03 0.45 -3.01 116.55 117.72 2dna n ASP 45 Ca 0.22 -1.27 -0.02 0.00 0.52 0.00 0.00 54.79 54.23 2dna n ASP 45 Cb 0.90 -1.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 2dna n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dna n GLY 46 N -2.53 -0.95 2.89 0.27 0.00 0.34 -4.97 105.19 100.25 2dna n GLY 46 Ca -0.31 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.48 0.41 0.11 1.61 -1.08 -1.16 -5.04 116.67 110.05 2dna s ASP 47 Ca 0.08 -1.11 -0.33 0.00 -0.52 0.00 0.00 52.55 50.67 2dna s ASP 47 Cb -0.02 0.99 -0.13 0.00 -1.46 0.00 0.00 42.92 42.30 2dna s ASP 47 CO 0.24 -0.27 1.54 0.71 0.52 0.00 0.00 175.17 177.91 2dna h THR 48 N 5.34 0.00 -0.30 1.71 1.35 -1.96 0.51 112.91 119.56 2dna h THR 48 Ca 0.01 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.90 2dna h THR 48 Cb 1.10 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.48 2dna h THR 48 CO 0.20 0.00 -0.18 0.78 -0.25 0.00 0.00 175.52 176.06 2dna h ASN 49 N -0.57 -0.67 -0.40 5.36 4.21 -1.98 1.56 115.58 123.09 2dna h ASN 49 Ca 0.03 0.10 0.08 0.00 1.21 0.00 0.00 56.30 57.72 2dna h ASN 49 Cb 0.66 0.30 -0.09 0.00 -1.12 0.00 0.00 38.32 38.07 2dna h ASN 49 CO -0.42 -0.08 -0.32 0.00 -1.29 0.00 0.00 177.43 175.32 2dna h ALA 50 N -0.56 -0.16 -0.23 -0.83 0.00 -1.87 0.70 119.26 116.31 2dna h ALA 50 Ca 0.05 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2dna h ALA 50 Cb 0.13 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 2dna h ALA 50 CO -0.29 -0.72 -0.47 0.00 0.00 0.00 0.00 179.25 177.78 2dna h ALA 51 N 0.78 -0.64 0.29 0.00 0.00 0.27 0.66 119.26 120.62 2dna h ALA 51 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dna h ALA 51 Cb 0.53 0.90 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2dna h ALA 51 CO -0.54 -0.96 -0.52 0.82 0.00 0.00 0.00 179.25 178.05 2dna h ILE 52 N -0.46 0.01 -0.68 0.00 2.04 0.34 0.55 117.51 119.31 2dna h ILE 52 Ca 0.08 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.07 2dna h ILE 52 Cb 0.63 0.01 -0.13 0.00 -0.74 0.00 0.00 36.82 36.59 2dna h ILE 52 CO -0.48 0.00 -0.29 0.22 0.00 0.00 0.00 178.15 177.61 2dna h TYR 53 N -0.86 -0.75 0.65 1.37 3.20 0.11 0.62 116.97 121.30 2dna h TYR 53 Ca -0.03 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2dna h TYR 53 Cb 0.81 0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.52 2dna h TYR 53 CO -0.37 -0.36 -0.36 0.87 -1.64 0.00 0.00 178.16 176.30 2dna h LYS 54 N -0.09 -0.90 -0.51 1.82 1.57 0.90 -0.96 116.57 118.39 2dna h LYS 54 Ca 0.29 0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.18 2dna h LYS 54 Cb 0.55 0.20 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 2dna h LYS 54 CO -0.74 -0.60 -0.40 -0.07 -0.57 0.00 0.00 179.45 177.07 2dna h LEU 55 N -0.93 -1.42 -0.89 2.94 3.38 0.94 0.79 115.31 120.12 2dna h LEU 55 Ca -0.09 0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2dna h LEU 55 Cb 0.73 0.61 -0.11 0.00 0.09 0.00 0.00 40.66 41.98 2dna h LEU 55 CO 0.12 -0.22 -0.56 0.11 0.09 0.00 0.00 178.44 177.99 2dna h LYS 56 N -0.13 -0.04 -0.66 1.13 1.57 0.26 0.20 116.57 118.90 2dna h LYS 56 Ca 0.08 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2dna h LYS 56 Cb 0.35 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.55 2dna h LYS 56 CO -0.55 -0.03 -0.46 1.03 -0.57 0.00 0.00 179.45 178.88 2dna h SER 57 N -0.04 -1.60 -2.13 0.86 0.87 0.42 -3.39 113.55 108.54 2dna h SER 57 Ca 0.14 0.26 -0.61 0.00 -1.23 0.00 0.00 61.79 60.36 2dna h SER 57 Cb 0.41 0.73 0.05 0.00 -0.44 0.00 0.00 62.40 63.15 2dna h SER 57 CO -0.86 -0.32 0.77 -0.24 -0.53 0.00 0.00 176.83 175.65 2dna n SER 58 N -5.39 2.87 -4.02 6.23 2.88 0.69 -4.97 113.62 111.90 2dna n SER 58 Ca 0.02 1.08 -0.24 0.00 -1.33 0.00 0.00 58.87 58.40 2dna n SER 58 Cb 0.34 -1.37 -0.16 0.00 -0.75 0.00 0.00 64.21 62.26 2dna n SER 58 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2dna s GLN 59 N 1.23 1.59 0.00 -1.46 -1.52 -1.26 -4.90 119.66 113.33 2dna s GLN 59 Ca 0.82 -0.40 0.00 0.00 -1.95 0.00 0.00 55.36 53.83 2dna s GLN 59 Cb -0.74 -1.33 0.00 0.00 -0.22 0.00 0.00 33.01 30.72 2dna s GLN 59 CO 0.41 0.04 0.00 0.41 -0.25 0.00 0.00 175.29 175.91 2dna n GLY 60 N 3.74 -1.15 2.98 3.09 0.00 -1.26 -5.09 105.19 107.49 2dna n GLY 60 Ca -0.22 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 43.58 2dna n GLY 60 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dna n PHE 61 N -0.26 -1.48 -1.21 1.61 7.35 -1.26 -4.77 117.46 117.45 2dna n PHE 61 Ca 0.00 0.75 0.00 0.00 -0.76 0.00 0.00 57.45 57.44 2dna n PHE 61 Cb 0.00 -2.04 0.00 0.00 0.35 0.00 0.00 39.48 37.79 2dna n PHE 61 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2dna n SER 62 N 1.62 -6.53 0.00 -2.13 2.88 -1.26 -5.08 113.62 103.12 2dna n SER 62 Ca -0.07 1.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 2dna n SER 62 Cb 0.29 -3.62 0.00 0.00 -0.75 0.00 0.00 64.21 60.13 2dna n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dna n GLY 63 N -2.11 1.41 0.19 0.46 0.00 -1.26 -5.04 105.19 98.83 2dna n GLY 63 Ca 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 0.67 -3.80 1.61 0.13 -2.00 -3.44 132.00 125.17 2dna h PRO 64 Ca 0.00 -0.66 -0.45 0.00 -0.87 0.00 0.00 66.00 64.02 2dna h PRO 64 Cb 0.00 0.17 -0.38 0.00 0.13 0.00 0.00 31.00 30.92 2dna h PRO 64 CO 0.00 1.25 -0.77 -1.54 -0.23 0.00 0.00 178.00 176.71 2dna s SER 65 N -7.11 1.70 -0.14 1.44 1.04 -1.26 -5.13 113.70 104.25 2dna s SER 65 Ca -0.11 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.18 2dna s SER 65 Cb 0.07 -0.52 -0.02 0.00 0.10 0.00 0.00 66.02 65.65 2dna s SER 65 CO 0.89 -0.18 -0.10 -0.44 0.98 0.00 0.00 173.24 174.40 2dna s SER 66 N 1.92 4.31 0.00 7.02 0.01 -1.26 -5.18 113.70 120.53 2dna s SER 66 Ca 0.05 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2dna s SER 66 Cb -0.12 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2dna s SER 66 CO -0.06 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.38