#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 -7.90 0.13 1.61 3.41 -1.26 -5.01 113.62 104.61 2dna n SER 2 Ca 0.00 0.99 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 2dna n SER 2 Cb 0.00 -5.30 0.00 0.00 -0.26 0.00 0.00 64.21 58.65 2dna n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dna n SER 3 N 0.21 -0.53 0.00 4.04 2.88 -1.26 -5.13 113.62 113.83 2dna n SER 3 Ca 0.06 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2dna n SER 3 Cb 0.22 0.69 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 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 1.19 -0.57 5.00 0.46 0.00 -1.26 -4.90 105.19 105.10 2dna n GLY 4 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2dna n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dna n SER 5 N 0.00 0.00 -4.54 1.61 2.88 -1.26 -4.78 113.62 107.53 2dna n SER 5 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 2dna n SER 5 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 2dna n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dna s SER 6 N 0.00 5.90 0.07 -3.46 0.01 -1.26 -5.06 113.70 109.90 2dna s SER 6 Ca 0.00 -0.23 -0.13 0.00 1.31 0.00 0.00 55.95 56.90 2dna s SER 6 Cb 0.00 -2.09 0.02 0.00 0.21 0.00 0.00 66.02 64.15 2dna s SER 6 CO 0.00 -0.13 0.29 -0.83 0.41 0.00 0.00 173.24 172.98 2dna s GLY 7 N 1.72 -0.10 0.67 3.44 0.00 -1.26 -5.16 107.32 106.62 2dna s GLY 7 Ca 0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 44.72 44.50 2dna s GLY 7 CO 0.10 -0.38 1.06 2.56 0.00 0.00 0.00 173.10 176.43 2dna s PRO 8 N -3.15 3.06 -0.72 2.90 0.04 -1.26 -4.97 135.00 130.90 2dna s PRO 8 Ca -0.01 1.01 -0.24 0.00 0.04 0.00 0.00 61.00 61.81 2dna s PRO 8 Cb 0.01 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.61 2dna s PRO 8 CO -0.07 -1.01 1.09 0.45 0.04 0.00 0.00 177.00 177.51 2dna s SER 9 N -3.54 6.22 -0.19 6.66 0.15 -1.26 -4.50 113.70 117.23 2dna s SER 9 Ca 0.59 -0.93 -0.05 0.00 0.70 0.00 0.00 55.95 56.26 2dna s SER 9 Cb -0.14 -2.47 0.02 0.00 -1.71 0.00 0.00 66.02 61.72 2dna s SER 9 CO 0.50 -1.54 0.11 1.41 1.20 0.00 0.00 173.24 174.92 2dna n HIS 10 N 8.19 -3.33 -4.29 3.44 8.25 -1.26 -5.08 115.22 121.14 2dna n HIS 10 Ca 0.02 1.74 -0.16 0.00 -0.26 0.00 0.00 57.72 59.05 2dna n HIS 10 Cb 0.47 -3.42 -0.10 0.00 1.12 0.00 0.00 29.99 28.06 2dna n HIS 10 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2dna s SER 11 N -0.86 1.09 0.00 0.41 1.04 -1.26 -5.15 113.70 108.97 2dna s SER 11 Ca -0.12 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.84 2dna s SER 11 Cb 0.01 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2dna s SER 11 CO 0.62 -0.83 0.00 0.18 0.98 0.00 0.00 173.24 174.19 2dna n LEU 12 N -0.47 0.00 -1.05 2.42 4.77 -1.26 -5.06 117.00 116.35 2dna n LEU 12 Ca 0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.10 2dna n LEU 12 Cb 0.65 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 2dna n LEU 12 CO 0.35 0.00 -0.45 1.67 -1.33 0.00 0.00 177.39 177.63 2dna n GLN 13 N 0.00 -2.48 -1.26 3.23 7.27 -1.26 -4.85 117.38 118.03 2dna n GLN 13 Ca 0.00 2.02 -0.35 0.00 0.07 0.00 0.00 57.00 58.74 2dna n GLN 13 Cb 0.00 -2.82 0.09 0.00 2.41 0.00 0.00 30.24 29.92 2dna n GLN 13 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dna n ALA 14 N -3.51 -0.71 0.08 1.69 0.00 -1.26 -4.89 120.51 111.91 2dna n ALA 14 Ca -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 53.44 53.09 2dna n ALA 14 Cb 0.48 -2.04 -0.02 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.45 -0.27 -1.02 0.00 0.13 -1.99 -2.54 132.00 125.86 2dna h PRO 15 Ca -0.46 0.02 0.27 0.00 -0.87 0.00 0.00 66.00 64.96 2dna h PRO 15 Cb 1.33 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 32.40 2dna h PRO 15 CO 0.45 -0.18 0.61 1.05 -0.23 0.00 0.00 178.00 179.70 2dna h GLU 16 N -0.88 0.46 -0.30 0.86 4.11 -1.93 1.48 114.58 118.39 2dna h GLU 16 Ca -0.03 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 2dna h GLU 16 Cb 0.21 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2dna h GLU 16 CO 0.05 0.30 -0.15 0.28 0.07 0.00 0.00 179.01 179.56 2dna h VAL 17 N 0.47 1.24 0.10 -1.06 2.07 -1.95 0.91 116.25 118.04 2dna h VAL 17 Ca 0.67 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 2dna h VAL 17 Cb 1.43 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2dna h VAL 17 CO -0.48 0.36 -0.05 -0.09 0.02 0.00 0.00 177.57 177.33 2dna h ARG 18 N 0.48 -0.13 -0.89 1.57 1.12 0.21 -3.27 114.38 113.47 2dna h ARG 18 Ca 0.08 0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.82 2dna h ARG 18 Cb 0.55 0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 30.45 2dna h ARG 18 CO 0.03 0.35 0.17 1.19 -3.11 0.00 0.00 179.97 178.61 2dna n PHE 19 N -4.83 1.36 0.18 2.20 3.72 0.25 -4.39 117.46 115.94 2dna n PHE 19 Ca -0.07 -0.80 -0.14 0.00 -0.05 0.00 0.00 57.45 56.39 2dna n PHE 19 Cb 0.27 -0.47 -0.07 0.00 -0.94 0.00 0.00 39.48 38.27 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 1.30 -0.57 -1.10 4.37 4.64 0.82 0.92 113.55 123.93 2dna h SER 20 Ca 0.17 0.05 0.33 0.00 -0.47 0.00 0.00 61.79 61.87 2dna h SER 20 Cb 1.63 0.19 -0.13 0.00 -0.31 0.00 0.00 62.40 63.78 2dna h SER 20 CO 0.42 -0.34 0.67 0.11 -0.87 0.00 0.00 176.83 176.83 2dna h LYS 21 N -0.51 0.28 0.22 4.77 1.57 -1.82 0.15 116.57 121.23 2dna h LYS 21 Ca -0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2dna h LYS 21 Cb 0.45 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2dna h LYS 21 CO -0.01 0.19 -0.11 0.93 -0.57 0.00 0.00 179.45 179.88 2dna h GLU 22 N 0.29 -0.28 -1.35 3.15 3.07 -1.59 -2.36 114.58 115.51 2dna h GLU 22 Ca 0.72 0.02 0.41 0.00 -0.50 0.00 0.00 59.36 60.01 2dna h GLU 22 Cb 1.85 0.06 -0.11 0.00 -0.84 0.00 0.00 28.75 29.72 2dna h GLU 22 CO -0.47 0.09 0.90 0.52 -1.40 0.00 0.00 179.01 178.66 2dna h MET 23 N -0.87 0.11 0.07 2.33 2.86 0.17 0.88 114.93 120.48 2dna h MET 23 Ca -0.03 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2dna h MET 23 Cb 0.51 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2dna h MET 23 CO 0.05 0.07 -0.03 0.93 1.06 0.00 0.00 176.91 178.99 2dna h GLU 24 N 0.11 -0.09 -0.96 1.72 5.08 -1.11 -2.54 114.58 116.79 2dna h GLU 24 Ca 0.77 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 59.23 2dna h GLU 24 Cb 2.52 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 31.72 2dna h GLU 24 CO -0.29 0.48 0.62 0.00 -1.00 0.00 0.00 179.01 178.82 2dna h LEU 26 N 1.01 -0.77 -0.43 0.00 3.38 0.55 -1.81 115.31 117.24 2dna h LEU 26 Ca 0.45 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.57 2dna h LEU 26 Cb 0.36 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.28 2dna h LEU 26 CO -0.20 -0.42 -0.28 1.56 0.09 0.00 0.00 178.44 179.19 2dna h GLN 27 N -0.62 -0.18 -0.72 1.13 1.08 -0.83 0.12 115.11 115.09 2dna h GLN 27 Ca -0.02 0.01 0.16 0.00 -1.45 0.00 0.00 58.65 57.36 2dna h GLN 27 Cb 0.56 0.04 -0.13 0.00 -0.05 0.00 0.00 27.48 27.91 2dna h GLN 27 CO -0.05 -0.12 -0.03 0.00 -0.95 0.00 0.00 178.83 177.68 2dna h ALA 28 N 0.96 0.70 0.00 3.87 0.00 -0.96 1.16 119.26 124.99 2dna h ALA 28 Ca 0.20 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2dna h ALA 28 Cb 0.50 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2dna h ALA 28 CO -0.54 -0.42 -0.08 0.52 0.00 0.00 0.00 179.25 178.73 2dna h MET 29 N 0.09 0.00 0.00 0.00 2.86 0.03 -3.45 114.93 114.45 2dna h MET 29 Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 2dna h MET 29 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2dna h MET 29 CO -0.65 0.08 0.00 0.41 1.06 0.00 0.00 176.91 177.82 2dna n GLY 30 N -1.20 1.36 3.24 8.32 0.00 0.40 -5.03 105.19 112.28 2dna n GLY 30 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 1.59 -0.25 1.61 3.72 -0.30 -4.60 117.46 119.22 2dna n PHE 31 Ca 0.00 -1.48 -0.07 0.00 -0.05 0.00 0.00 57.45 55.85 2dna n PHE 31 Cb 0.00 -1.65 0.05 0.00 -0.94 0.00 0.00 39.48 36.93 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 4.83 1.26 -0.24 -4.37 -1.51 -1.82 -3.25 116.25 111.15 2dna h VAL 32 Ca 0.36 -0.92 -0.43 0.00 -1.23 0.00 0.00 66.70 64.48 2dna h VAL 32 Cb 0.71 0.52 -0.08 0.00 -2.13 0.00 0.00 31.29 30.31 2dna h VAL 32 CO 1.87 0.36 1.71 0.59 -1.23 0.00 0.00 177.57 180.86 2dna n ASN 33 N -4.28 0.22 -0.04 4.19 4.13 -1.26 -4.74 115.26 113.48 2dna n ASN 33 Ca 0.05 -0.20 -0.00 0.00 1.68 0.00 0.00 54.58 56.11 2dna n ASN 33 Cb 0.24 -0.96 -0.00 0.00 -1.54 0.00 0.00 39.78 37.52 2dna n ASN 33 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2dna h TYR 34 N 12.84 0.00 -1.55 3.10 3.20 -1.98 -1.07 116.97 131.52 2dna h TYR 34 Ca -0.05 0.00 0.45 0.00 3.14 0.00 0.00 58.73 62.27 2dna h TYR 34 Cb 1.24 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.45 2dna h TYR 34 CO 1.15 0.00 1.11 -0.97 -1.64 0.00 0.00 178.16 177.81 2dna h ASN 35 N -0.75 0.02 0.00 -2.11 -0.73 -1.99 0.40 115.58 110.41 2dna h ASN 35 Ca 0.00 0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 2dna h ASN 35 Cb 0.04 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.64 2dna h ASN 35 CO 0.00 -0.01 -0.05 0.00 -0.37 0.00 0.00 177.43 177.00 2dna h ALA 36 N 1.24 0.01 -0.72 1.57 0.00 -1.94 -3.12 119.26 116.31 2dna h ALA 36 Ca 0.74 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.61 2dna h ALA 36 Cb 2.95 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 20.65 2dna h ALA 36 CO -0.03 0.04 -0.32 -0.91 0.00 0.00 0.00 179.25 178.03 2dna h ASN 37 N -1.00 -1.14 -0.07 0.00 2.35 0.81 0.26 115.58 116.80 2dna h ASN 37 Ca -0.01 0.25 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 2dna h ASN 37 Cb 0.29 0.60 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 2dna h ASN 37 CO -0.00 -0.29 -0.20 0.25 -1.65 0.00 0.00 177.43 175.54 2dna h LEU 38 N -0.10 -0.63 -0.73 1.61 6.46 -0.54 0.86 115.31 122.23 2dna h LEU 38 Ca 0.28 0.08 0.13 0.00 -0.12 0.00 0.00 57.88 58.25 2dna h LEU 38 Cb 0.57 0.25 -0.13 0.00 -0.73 0.00 0.00 40.66 40.61 2dna h LEU 38 CO -0.77 -0.17 -0.33 1.56 -0.62 0.00 0.00 178.44 178.11 2dna h GLN 39 N -0.20 -0.09 -0.17 1.25 4.20 -1.14 0.33 115.11 119.28 2dna h GLN 39 Ca 0.01 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.78 2dna h GLN 39 Cb 0.24 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 2dna h GLN 39 CO -0.17 -0.06 -0.20 0.00 -0.67 0.00 0.00 178.83 177.73 2dna h ALA 40 N 1.23 -0.11 -0.11 3.87 0.00 0.37 0.44 119.26 124.94 2dna h ALA 40 Ca 0.29 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.30 2dna h ALA 40 Cb 0.57 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2dna h ALA 40 CO -0.79 -0.64 -0.42 -0.07 0.00 0.00 0.00 179.25 177.33 2dna h LEU 41 N -0.23 -1.30 -1.42 0.00 3.38 0.39 0.88 115.31 117.01 2dna h LEU 41 Ca 0.11 0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.40 2dna h LEU 41 Cb 0.40 0.53 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 2dna h LEU 41 CO -0.31 -0.43 0.54 0.40 0.09 0.00 0.00 178.44 178.74 2dna h ILE 42 N -0.50 0.82 0.00 1.22 2.04 0.15 1.65 117.51 122.89 2dna h ILE 42 Ca 0.07 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2dna h ILE 42 Cb 0.63 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2dna h ILE 42 CO -0.39 0.10 -0.19 0.00 0.00 0.00 0.00 178.15 177.67 2dna h ALA 43 N 1.62 0.99 -0.25 1.87 0.00 0.33 -2.68 119.26 121.13 2dna h ALA 43 Ca 0.41 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2dna h ALA 43 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2dna h ALA 43 CO -0.16 0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.58 2dna n THR 44 N -3.31 1.86 -2.90 0.00 -2.24 0.32 -4.94 114.28 103.06 2dna n THR 44 Ca 0.01 -1.63 -0.11 0.00 -2.27 0.00 0.00 64.05 60.05 2dna n THR 44 Cb 0.44 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.30 -1.73 -1.27 3.42 -0.08 0.48 -3.36 116.55 113.71 2dna n ASP 45 Ca 0.17 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 2dna n ASP 45 Cb 0.72 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 42.62 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 -0.69 -2.45 2.79 0.27 0.00 0.63 -4.97 105.19 100.77 2dna n GLY 46 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.64 0.23 1.61 2.15 -1.21 -5.04 116.67 113.77 2dna s ASP 47 Ca 0.00 -0.54 -0.14 0.00 0.43 0.00 0.00 52.55 52.31 2dna s ASP 47 Cb 0.00 0.83 0.29 0.00 -0.30 0.00 0.00 42.92 43.74 2dna s ASP 47 CO 0.00 -0.05 1.46 0.35 -0.17 0.00 0.00 175.17 176.77 2dna n THR 48 N 3.29 -0.46 -0.07 1.71 -2.24 -1.26 0.83 114.28 116.08 2dna n THR 48 Ca 0.10 2.19 -0.08 0.00 -2.27 0.00 0.00 64.05 63.99 2dna n THR 48 Cb 0.62 -2.94 -0.06 0.00 -2.10 0.00 0.00 70.33 65.86 2dna n THR 48 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2dna h ASN 49 N 0.00 -1.02 -0.27 3.42 4.21 -1.98 1.45 115.58 121.38 2dna h ASN 49 Ca 0.37 0.13 0.06 0.00 1.21 0.00 0.00 56.30 58.07 2dna h ASN 49 Cb 0.60 0.42 -0.06 0.00 -1.12 0.00 0.00 38.32 38.16 2dna h ASN 49 CO -0.95 -0.23 -0.10 0.00 -1.29 0.00 0.00 177.43 174.86 2dna h ALA 50 N -0.63 0.13 -0.38 -0.83 0.00 -1.11 0.11 119.26 116.55 2dna h ALA 50 Ca 0.04 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2dna h ALA 50 Cb 0.33 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 2dna h ALA 50 CO -0.32 -0.50 -0.31 0.00 0.00 0.00 0.00 179.25 178.12 2dna h ALA 51 N 1.19 -0.16 0.39 0.00 0.00 0.17 0.42 119.26 121.27 2dna h ALA 51 Ca 0.14 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2dna h ALA 51 Cb 0.26 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2dna h ALA 51 CO -0.30 -0.71 -0.49 0.82 0.00 0.00 0.00 179.25 178.57 2dna h ILE 52 N -0.25 0.00 -0.74 0.00 2.04 0.28 0.41 117.51 119.26 2dna h ILE 52 Ca 0.17 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.17 2dna h ILE 52 Cb 0.53 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.47 2dna h ILE 52 CO -0.52 0.00 -0.24 0.22 0.00 0.00 0.00 178.15 177.61 2dna h TYR 53 N -0.90 -0.58 0.65 1.37 3.20 -0.00 1.05 116.97 121.76 2dna h TYR 53 Ca -0.05 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2dna h TYR 53 Cb 0.81 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 2dna h TYR 53 CO -0.29 -0.35 -0.39 0.87 -1.64 0.00 0.00 178.16 176.36 2dna h LYS 54 N -0.04 -0.94 0.03 1.82 1.57 0.31 0.25 116.57 119.57 2dna h LYS 54 Ca 0.33 0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.19 2dna h LYS 54 Cb 0.56 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 2dna h LYS 54 CO -0.78 -0.63 -0.41 -0.07 -0.57 0.00 0.00 179.45 177.00 2dna h LEU 55 N -0.98 -1.25 -0.46 2.94 3.38 0.14 0.31 115.31 119.39 2dna h LEU 55 Ca -0.08 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2dna h LEU 55 Cb 0.79 0.47 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 2dna h LEU 55 CO 0.09 -0.41 -0.46 0.11 0.09 0.00 0.00 178.44 177.86 2dna h LYS 56 N -0.54 -0.23 -0.55 1.13 1.79 0.11 -1.03 116.57 117.26 2dna h LYS 56 Ca 0.00 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.55 2dna h LYS 56 Cb 0.56 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.17 2dna h LYS 56 CO -0.25 -0.15 -0.55 0.77 -1.08 0.00 0.00 179.45 178.18 2dna h SER 57 N -0.24 -1.89 -3.76 0.86 0.02 -0.04 -3.09 113.55 105.41 2dna h SER 57 Ca 0.08 0.26 -0.78 0.00 -0.84 0.00 0.00 61.79 60.50 2dna h SER 57 Cb 0.44 0.79 -0.28 0.00 0.14 0.00 0.00 62.40 63.50 2dna h SER 57 CO -0.56 -0.35 0.16 -0.94 -1.14 0.00 0.00 176.83 174.00 2dna s SER 58 N -5.10 6.78 -0.13 3.07 1.04 0.10 -4.84 113.70 114.62 2dna s SER 58 Ca -0.13 -3.01 -0.07 0.00 0.48 0.00 0.00 55.95 53.22 2dna s SER 58 Cb 0.09 -2.17 -0.02 0.00 0.10 0.00 0.00 66.02 64.01 2dna s SER 58 CO 0.60 -0.46 -0.14 -0.61 0.98 0.00 0.00 173.24 173.61 2dna h GLN 59 N 7.33 0.00 0.00 4.02 4.15 -1.32 -3.41 115.11 125.88 2dna h GLN 59 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2dna h GLN 59 Cb 0.98 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.67 2dna h GLN 59 CO 0.83 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 178.14 2dna n GLY 60 N 1.66 0.70 3.61 2.39 0.00 -1.26 -5.00 105.19 107.28 2dna n GLY 60 Ca -0.05 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.59 -0.05 1.61 5.36 -1.26 -5.16 117.98 117.90 2dna s PHE 61 Ca 0.00 1.33 -0.01 0.00 -0.96 0.00 0.00 56.93 57.29 2dna s PHE 61 Cb 0.00 0.35 0.03 0.00 -0.34 0.00 0.00 43.02 43.06 2dna s PHE 61 CO 0.00 -0.34 0.02 -1.54 -1.46 0.00 0.00 175.22 171.89 2dna s SER 62 N -0.10 1.07 0.06 6.13 1.04 -1.26 -5.15 113.70 115.49 2dna s SER 62 Ca -0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2dna s SER 62 Cb -0.04 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2dna s SER 62 CO -0.01 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2dna n GLY 63 N 4.82 -2.05 3.78 7.32 0.00 -1.26 -4.99 105.19 112.82 2dna n GLY 63 Ca -0.13 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.17 4.10 -0.27 1.61 0.04 -1.26 -5.05 135.00 133.99 2dna s PRO 64 Ca 0.00 1.49 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 2dna s PRO 64 Cb 0.00 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 32.15 2dna s PRO 64 CO 0.00 -0.20 0.66 -1.12 0.04 0.00 0.00 177.00 176.38 2dna s SER 65 N -1.63 -0.89 0.99 6.66 0.01 -1.26 -5.15 113.70 112.42 2dna s SER 65 Ca 0.59 1.45 -0.17 0.00 1.31 0.00 0.00 55.95 59.13 2dna s SER 65 Cb -0.21 1.32 -0.09 0.00 0.21 0.00 0.00 66.02 67.25 2dna s SER 65 CO 0.26 -0.23 -0.48 -1.54 0.41 0.00 0.00 173.24 171.66 2dna n SER 66 N 4.25 -4.44 0.00 2.44 3.41 -1.26 -5.30 113.62 112.72 2dna n SER 66 Ca -0.20 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2dna n SER 66 Cb 0.58 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2dna n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49