#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dna h SER 2 N 0.00 -1.02 -4.25 1.61 0.87 -2.14 -3.48 113.55 105.14 2dna h SER 2 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2dna h SER 2 Cb 0.00 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2dna h SER 2 CO 0.00 -0.54 -0.84 -1.20 -0.53 0.00 0.00 176.83 173.72 2dna n SER 3 N -5.49 -8.42 -3.72 6.23 7.64 -1.26 -5.03 113.62 103.57 2dna n SER 3 Ca -0.11 1.19 -0.14 0.00 1.01 0.00 0.00 58.87 60.82 2dna n SER 3 Cb 0.39 -4.37 0.07 0.00 -1.01 0.00 0.00 64.21 59.29 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 0.74 0.99 3.95 0.23 0.00 -1.26 -5.12 105.19 104.71 2dna n GLY 4 Ca 0.00 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.78 2dna n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dna s SER 5 N -3.58 5.66 -0.23 1.61 0.01 -1.26 -5.01 113.70 110.90 2dna s SER 5 Ca 0.42 -0.36 -0.34 0.00 1.31 0.00 0.00 55.95 56.99 2dna s SER 5 Cb -0.03 -1.01 -0.10 0.00 0.21 0.00 0.00 66.02 65.09 2dna s SER 5 CO 0.28 -0.49 2.07 -1.54 0.41 0.00 0.00 173.24 173.97 2dna n SER 6 N -1.60 2.84 -0.50 2.44 3.41 -1.26 -4.06 113.62 114.89 2dna n SER 6 Ca 0.01 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 2dna n SER 6 Cb 0.59 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2dna n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dna n GLY 7 N 5.52 -0.94 3.16 5.00 0.00 -1.26 -4.91 105.19 111.75 2dna n GLY 7 Ca 0.32 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 0.39 2.23 -3.02 1.61 -0.04 -1.26 -4.58 135.00 130.34 2dna n PRO 8 Ca 0.00 -2.44 0.04 0.00 -0.04 0.00 0.00 63.50 61.06 2dna n PRO 8 Cb 0.00 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.19 2dna n PRO 8 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dna s SER 9 N 4.57 -0.29 -0.97 3.54 0.15 -1.26 -5.08 113.70 114.35 2dna s SER 9 Ca 0.56 -0.03 -0.03 0.00 0.70 0.00 0.00 55.95 57.15 2dna s SER 9 Cb 0.10 0.91 0.26 0.00 -1.71 0.00 0.00 66.02 65.58 2dna s SER 9 CO 0.05 -0.05 1.01 0.00 1.20 0.00 0.00 173.24 175.45 2dna n HIS 10 N 4.60 4.09 -2.73 3.44 1.44 -1.26 -4.75 115.22 120.04 2dna n HIS 10 Ca 0.08 -3.79 -0.02 0.00 -2.01 0.00 0.00 57.72 51.99 2dna n HIS 10 Cb 0.60 -1.26 0.02 0.00 0.12 0.00 0.00 29.99 29.47 2dna n HIS 10 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2dna s SER 11 N -0.31 -0.59 -0.16 4.39 0.15 -1.26 -5.05 113.70 110.87 2dna s SER 11 Ca 0.30 -0.61 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 2dna s SER 11 Cb -0.03 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2dna s SER 11 CO -0.06 -0.03 0.01 -0.11 1.20 0.00 0.00 173.24 174.25 2dna n LEU 12 N 2.95 -5.79 -4.95 3.45 0.00 -1.26 -4.98 117.00 106.41 2dna n LEU 12 Ca 0.12 0.91 -0.23 0.00 0.00 0.00 0.00 56.01 56.81 2dna n LEU 12 Cb 0.62 -2.47 -0.01 0.00 0.00 0.00 0.00 43.42 41.57 2dna n LEU 12 CO -0.09 -2.30 0.15 -1.58 0.00 0.00 0.00 177.39 173.57 2dna s GLN 13 N -1.34 3.38 0.75 1.96 0.74 -1.26 -5.06 119.66 118.82 2dna s GLN 13 Ca 0.01 -0.48 -0.16 0.00 0.05 0.00 0.00 55.36 54.78 2dna s GLN 13 Cb -0.00 -2.69 -0.02 0.00 1.10 0.00 0.00 33.01 31.40 2dna s GLN 13 CO 0.40 0.11 0.63 0.00 -0.55 0.00 0.00 175.29 175.89 2dna n ALA 14 N -1.77 -1.32 0.04 1.58 0.00 -1.26 -4.85 120.51 112.93 2dna n ALA 14 Ca -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.10 2dna n ALA 14 Cb 0.57 -1.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.13 -1.00 0.00 0.13 -1.98 -2.07 132.00 126.45 2dna h PRO 15 Ca -0.46 0.01 0.34 0.00 -0.87 0.00 0.00 66.00 65.03 2dna h PRO 15 Cb 1.34 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.34 2dna h PRO 15 CO 0.43 -0.08 0.55 1.05 -0.23 0.00 0.00 178.00 179.71 2dna h GLU 16 N -0.42 0.23 -0.37 0.86 -0.00 -1.93 1.75 114.58 114.69 2dna h GLU 16 Ca -0.01 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.36 59.27 2dna h GLU 16 Cb 0.10 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 28.79 2dna h GLU 16 CO 0.02 0.15 0.00 0.28 -0.00 0.00 0.00 179.01 179.46 2dna h VAL 17 N 0.23 1.26 -0.30 -1.06 2.07 -1.95 0.55 116.25 117.05 2dna h VAL 17 Ca 0.76 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 2dna h VAL 17 Cb 1.80 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2dna h VAL 17 CO -0.65 0.33 -0.21 -0.09 0.02 0.00 0.00 177.57 176.97 2dna h ARG 18 N 0.47 0.66 -1.68 1.57 2.43 0.22 -3.23 114.38 114.83 2dna h ARG 18 Ca 0.11 -0.32 -0.68 0.00 -0.81 0.00 0.00 59.98 58.28 2dna h ARG 18 Cb 0.46 -0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 29.66 2dna h ARG 18 CO 0.02 0.92 0.20 1.19 -1.51 0.00 0.00 179.97 180.79 2dna n PHE 19 N -4.34 3.17 -0.05 2.20 3.72 0.49 -4.66 117.46 118.00 2dna n PHE 19 Ca -0.03 -2.69 -0.19 0.00 -0.05 0.00 0.00 57.45 54.48 2dna n PHE 19 Cb 0.42 -0.69 -0.13 0.00 -0.94 0.00 0.00 39.48 38.14 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 2.73 0.14 -0.98 4.37 4.64 0.09 -2.90 113.55 121.63 2dna h SER 20 Ca 0.45 -0.79 0.29 0.00 -0.47 0.00 0.00 61.79 61.26 2dna h SER 20 Cb 0.52 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 2dna h SER 20 CO 1.16 1.37 0.74 0.11 -0.87 0.00 0.00 176.83 179.34 2dna h LYS 21 N -0.76 0.00 0.01 4.77 1.57 -1.82 0.31 116.57 120.65 2dna h LYS 21 Ca -0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2dna h LYS 21 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 2dna h LYS 21 CO -0.04 0.00 -0.01 0.93 -0.57 0.00 0.00 179.45 179.76 2dna h GLU 22 N 0.00 -0.02 -1.20 3.15 3.07 -1.91 -3.08 114.58 114.58 2dna h GLU 22 Ca 0.47 0.00 0.34 0.00 -0.50 0.00 0.00 59.36 59.67 2dna h GLU 22 Cb 1.93 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.78 2dna h GLU 22 CO -0.00 0.56 0.83 0.52 -1.40 0.00 0.00 179.01 179.52 2dna h MET 23 N -0.99 0.12 -0.07 2.33 2.86 -0.79 0.47 114.93 118.86 2dna h MET 23 Ca -0.00 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2dna h MET 23 Cb 0.59 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 2dna h MET 23 CO 0.00 0.08 -0.12 0.93 1.06 0.00 0.00 176.91 178.87 2dna h GLU 24 N 0.13 0.21 -0.83 1.72 4.39 -1.19 -0.55 114.58 118.46 2dna h GLU 24 Ca 0.62 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 60.17 2dna h GLU 24 Cb 2.16 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.78 2dna h GLU 24 CO -0.14 0.69 0.41 0.00 -1.16 0.00 0.00 179.01 178.82 2dna h LEU 26 N 1.18 -0.88 -1.00 0.00 3.38 -0.24 -2.63 115.31 115.13 2dna h LEU 26 Ca 0.29 0.03 0.33 0.00 0.09 0.00 0.00 57.88 58.62 2dna h LEU 26 Cb 0.10 0.23 -0.18 0.00 0.09 0.00 0.00 40.66 40.90 2dna h LEU 26 CO -0.04 -0.62 0.21 0.00 0.09 0.00 0.00 178.44 178.09 2dna n GLN 27 N -4.86 -0.07 -0.02 1.13 1.13 -0.22 0.14 117.38 114.61 2dna n GLN 27 Ca -0.13 1.45 -0.09 0.00 -1.94 0.00 0.00 57.00 56.29 2dna n GLN 27 Cb 0.41 -2.41 -0.02 0.00 0.11 0.00 0.00 30.24 28.33 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 1.99 -0.07 -0.74 -1.58 0.00 -1.10 0.16 119.26 117.92 2dna h ALA 28 Ca 0.70 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.80 2dna h ALA 28 Cb 1.62 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.72 2dna h ALA 28 CO -0.87 -0.61 0.49 0.52 0.00 0.00 0.00 179.25 178.77 2dna h MET 29 N -0.20 0.47 0.00 0.00 2.86 0.15 -3.45 114.93 114.77 2dna h MET 29 Ca 0.11 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2dna h MET 29 Cb 0.37 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2dna h MET 29 CO -0.29 0.31 0.00 0.41 1.06 0.00 0.00 176.91 178.40 2dna n GLY 30 N -1.50 0.84 3.42 8.32 0.00 0.05 -5.05 105.19 111.26 2dna n GLY 30 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 2.26 0.35 1.61 3.72 -1.11 -4.59 117.46 119.70 2dna n PHE 31 Ca 0.00 -1.48 0.14 0.00 -0.05 0.00 0.00 57.45 56.06 2dna n PHE 31 Cb 0.00 -2.24 0.42 0.00 -0.94 0.00 0.00 39.48 36.72 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 5.58 0.00 -0.21 -4.37 -1.51 -1.86 -3.26 116.25 110.62 2dna h VAL 32 Ca 0.28 -0.62 -0.02 0.00 -1.23 0.00 0.00 66.70 65.11 2dna h VAL 32 Cb 0.84 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 31.58 2dna h VAL 32 CO 1.49 0.00 0.06 0.20 -1.23 0.00 0.00 177.57 178.09 2dna s ASN 33 N -5.38 3.61 0.01 4.19 -0.87 -1.26 -4.72 114.94 110.52 2dna s ASN 33 Ca 0.06 -0.60 -0.18 0.00 -1.57 0.00 0.00 52.86 50.57 2dna s ASN 33 Cb 0.08 -2.58 -0.10 0.00 -0.02 0.00 0.00 41.25 38.63 2dna s ASN 33 CO 0.57 -4.43 1.01 0.22 -2.57 0.00 0.00 177.10 171.91 2dna h TYR 34 N 12.00 -0.61 -0.92 2.20 3.20 -1.98 0.46 116.97 131.32 2dna h TYR 34 Ca 0.01 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.05 2dna h TYR 34 Cb 1.00 0.20 -0.17 0.00 1.54 0.00 0.00 36.73 39.30 2dna h TYR 34 CO 1.07 -0.38 -0.20 -0.91 -1.64 0.00 0.00 178.16 176.10 2dna h ASN 35 N -0.83 -0.81 0.33 -2.11 2.35 -1.99 1.32 115.58 113.83 2dna h ASN 35 Ca -0.07 0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 2dna h ASN 35 Cb 0.51 0.56 0.00 0.00 0.05 0.00 0.00 38.32 39.44 2dna h ASN 35 CO 0.11 -0.30 -0.16 0.00 -1.65 0.00 0.00 177.43 175.43 2dna h ALA 36 N 1.92 -0.93 -0.95 -0.83 0.00 -1.93 -2.53 119.26 114.00 2dna h ALA 36 Ca 0.45 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.39 2dna h ALA 36 Cb 0.71 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 2dna h ALA 36 CO -0.93 -0.90 -0.46 -0.91 0.00 0.00 0.00 179.25 176.04 2dna h ASN 37 N -0.52 -1.69 -0.24 0.00 2.35 0.12 0.29 115.58 115.89 2dna h ASN 37 Ca -0.05 0.31 0.02 0.00 -0.55 0.00 0.00 56.30 56.04 2dna h ASN 37 Cb 0.34 0.82 -0.03 0.00 0.05 0.00 0.00 38.32 39.50 2dna h ASN 37 CO 0.07 -0.27 -0.15 0.25 -1.65 0.00 0.00 177.43 175.68 2dna h LEU 38 N -0.03 -0.54 -0.76 1.61 6.46 0.17 0.42 115.31 122.65 2dna h LEU 38 Ca 0.26 0.08 0.13 0.00 -0.12 0.00 0.00 57.88 58.23 2dna h LEU 38 Cb 0.53 0.24 -0.13 0.00 -0.73 0.00 0.00 40.66 40.56 2dna h LEU 38 CO -0.94 -0.06 -0.34 1.56 -0.62 0.00 0.00 178.44 178.04 2dna h GLN 39 N -0.01 -0.09 -0.11 1.25 4.20 -0.56 -0.07 115.11 119.73 2dna h GLN 39 Ca 0.04 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.78 2dna h GLN 39 Cb 0.10 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 2dna h GLN 39 CO -0.23 -0.06 -0.41 0.00 -0.67 0.00 0.00 178.83 177.46 2dna h ALA 40 N 1.21 -0.78 -0.65 3.87 0.00 0.84 0.54 119.26 124.29 2dna h ALA 40 Ca 0.29 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.22 2dna h ALA 40 Cb 0.57 0.91 -0.09 0.00 0.00 0.00 0.00 17.79 19.19 2dna h ALA 40 CO -0.81 -0.93 -0.45 -0.07 0.00 0.00 0.00 179.25 176.99 2dna h LEU 41 N -0.44 -1.62 -1.10 0.00 3.38 0.14 1.29 115.31 116.96 2dna h LEU 41 Ca 0.02 0.24 0.23 0.00 0.09 0.00 0.00 57.88 58.46 2dna h LEU 41 Cb 0.51 0.70 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 2dna h LEU 41 CO -0.33 -0.22 0.62 0.40 0.09 0.00 0.00 178.44 179.00 2dna h ILE 42 N -0.08 0.59 -0.11 1.22 2.04 -0.43 1.65 117.51 122.39 2dna h ILE 42 Ca 0.11 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2dna h ILE 42 Cb 0.36 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2dna h ILE 42 CO -0.66 0.11 -0.04 0.00 0.00 0.00 0.00 178.15 177.56 2dna h ALA 43 N 1.68 1.73 -0.30 1.87 0.00 0.68 -1.14 119.26 123.77 2dna h ALA 43 Ca 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2dna h ALA 43 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2dna h ALA 43 CO -0.40 0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.31 2dna n THR 44 N -4.40 2.25 -2.41 0.00 -2.24 0.47 -4.93 114.28 103.03 2dna n THR 44 Ca -0.01 -1.78 -0.02 0.00 -2.27 0.00 0.00 64.05 59.97 2dna n THR 44 Cb 0.18 -0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.33 -1.32 -0.37 3.42 8.00 0.36 -3.33 116.55 122.99 2dna n ASP 45 Ca 0.21 0.44 0.00 0.00 0.71 0.00 0.00 54.79 56.15 2dna n ASP 45 Cb 0.89 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 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 -0.51 -0.78 2.99 0.44 0.00 0.16 -4.95 105.19 102.54 2dna n GLY 46 Ca -0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.42 0.25 1.61 -1.08 -1.21 -5.02 116.67 109.80 2dna s ASP 47 Ca 0.00 -1.13 -0.06 0.00 -0.52 0.00 0.00 52.55 50.84 2dna s ASP 47 Cb 0.00 1.83 0.45 0.00 -1.46 0.00 0.00 42.92 43.74 2dna s ASP 47 CO 0.00 -0.11 1.63 0.71 0.52 0.00 0.00 175.17 177.92 2dna h THR 48 N 4.86 0.33 0.04 1.71 1.35 -1.97 0.96 112.91 120.20 2dna h THR 48 Ca 0.05 -0.04 0.01 0.00 -0.55 0.00 0.00 66.41 65.88 2dna h THR 48 Cb 1.15 0.22 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 2dna h THR 48 CO 0.05 0.02 -0.36 0.78 -0.25 0.00 0.00 175.52 175.76 2dna h ASN 49 N 0.11 -1.09 -0.52 5.36 2.35 -1.98 1.38 115.58 121.18 2dna h ASN 49 Ca 0.42 0.12 0.06 0.00 -0.55 0.00 0.00 56.30 56.35 2dna h ASN 49 Cb 0.75 0.41 -0.05 0.00 0.05 0.00 0.00 38.32 39.47 2dna h ASN 49 CO -0.67 -0.36 0.22 0.00 -1.65 0.00 0.00 177.43 174.96 2dna h ALA 50 N -0.84 0.65 0.01 -0.83 0.00 -1.62 0.18 119.26 116.82 2dna h ALA 50 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2dna h ALA 50 Cb 0.50 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2dna h ALA 50 CO -0.21 -0.16 -0.35 0.00 0.00 0.00 0.00 179.25 178.52 2dna h ALA 51 N 1.32 -0.53 0.16 0.00 0.00 0.17 0.54 119.26 120.93 2dna h ALA 51 Ca 0.24 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2dna h ALA 51 Cb 0.23 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2dna h ALA 51 CO -0.22 -0.87 -0.36 0.82 0.00 0.00 0.00 179.25 178.62 2dna h ILE 52 N -0.51 0.26 -0.51 0.00 2.04 0.25 0.64 117.51 119.68 2dna h ILE 52 Ca 0.06 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.02 2dna h ILE 52 Cb 0.59 0.26 -0.10 0.00 -0.74 0.00 0.00 36.82 36.82 2dna h ILE 52 CO -0.28 0.00 -0.22 0.22 0.00 0.00 0.00 178.15 177.88 2dna h TYR 53 N -0.61 -0.54 0.84 1.37 3.20 -0.14 0.88 116.97 121.95 2dna h TYR 53 Ca 0.02 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 2dna h TYR 53 Cb 0.63 0.32 0.01 0.00 1.54 0.00 0.00 36.73 39.22 2dna h TYR 53 CO -0.30 -0.30 -0.40 0.87 -1.64 0.00 0.00 178.16 176.39 2dna h LYS 54 N -0.10 -1.08 -0.60 1.82 1.57 0.63 -0.43 116.57 118.39 2dna h LYS 54 Ca 0.24 0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.17 2dna h LYS 54 Cb 0.47 0.25 -0.10 0.00 0.08 0.00 0.00 32.23 32.92 2dna h LYS 54 CO -0.58 -0.72 -0.47 -0.07 -0.57 0.00 0.00 179.45 177.04 2dna h LEU 55 N -1.14 -1.63 -0.41 2.94 3.38 0.80 0.26 115.31 119.52 2dna h LEU 55 Ca -0.11 0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2dna h LEU 55 Cb 0.86 0.72 -0.08 0.00 0.09 0.00 0.00 40.66 42.26 2dna h LEU 55 CO 0.19 -0.34 -0.53 0.11 0.09 0.00 0.00 178.44 177.96 2dna h LYS 56 N -0.23 -0.36 -0.37 1.13 1.79 0.85 -1.30 116.57 118.08 2dna h LYS 56 Ca 0.16 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.71 2dna h LYS 56 Cb 0.56 0.08 -0.08 0.00 -1.58 0.00 0.00 32.23 31.21 2dna h LYS 56 CO -0.70 -0.24 -0.50 0.77 -1.08 0.00 0.00 179.45 177.70 2dna h SER 57 N -0.37 -1.65 -1.43 0.86 0.02 0.65 -3.36 113.55 108.27 2dna h SER 57 Ca 0.07 0.23 -0.54 0.00 -0.84 0.00 0.00 61.79 60.71 2dna h SER 57 Cb 0.56 0.69 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2dna h SER 57 CO -0.58 -0.40 1.57 -1.20 -1.14 0.00 0.00 176.83 175.09 2dna n SER 58 N -5.40 2.31 -2.84 3.07 7.64 0.74 -4.78 113.62 114.35 2dna n SER 58 Ca -0.03 -0.09 -0.01 0.00 1.01 0.00 0.00 58.87 59.76 2dna n SER 58 Cb 0.35 -1.45 0.01 0.00 -1.01 0.00 0.00 64.21 62.12 2dna n SER 58 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2dna s GLN 59 N 7.49 0.57 0.00 1.43 0.74 -1.26 -4.86 119.66 123.77 2dna s GLN 59 Ca 1.05 -0.41 0.00 0.00 0.05 0.00 0.00 55.36 56.05 2dna s GLN 59 Cb -0.46 0.01 0.00 0.00 1.10 0.00 0.00 33.01 33.66 2dna s GLN 59 CO 0.35 -0.76 0.00 0.41 -0.55 0.00 0.00 175.29 174.74 2dna n GLY 60 N 3.37 1.97 4.02 2.59 0.00 -1.26 -5.08 105.19 110.79 2dna n GLY 60 Ca 0.12 -1.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.19 2.43 0.14 1.61 5.36 -1.26 -5.03 117.98 119.05 2dna s PHE 61 Ca 0.00 -0.49 -0.34 0.00 -0.96 0.00 0.00 56.93 55.14 2dna s PHE 61 Cb 0.00 -2.33 -0.16 0.00 -0.34 0.00 0.00 43.02 40.18 2dna s PHE 61 CO 0.00 -0.62 1.16 0.43 -1.46 0.00 0.00 175.22 174.73 2dna n SER 62 N -1.95 1.17 -3.31 6.13 7.64 -1.26 -4.96 113.62 117.08 2dna n SER 62 Ca 0.10 1.14 -0.10 0.00 1.01 0.00 0.00 58.87 61.01 2dna n SER 62 Cb 0.60 -1.18 -0.06 0.00 -1.01 0.00 0.00 64.21 62.56 2dna n SER 62 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dna s GLY 63 N 0.04 -0.48 -0.39 0.23 0.00 -1.26 -5.11 107.32 100.34 2dna s GLY 63 Ca 0.76 -0.14 -0.29 0.00 0.00 0.00 0.00 44.72 45.06 2dna s GLY 63 CO 0.52 3.01 1.40 2.56 0.00 0.00 0.00 173.10 180.59 2dna s PRO 64 N 2.16 3.64 -0.35 2.90 0.04 -1.26 -4.90 135.00 137.22 2dna s PRO 64 Ca 0.12 1.01 0.06 0.00 0.04 0.00 0.00 61.00 62.23 2dna s PRO 64 Cb -0.12 -4.00 0.19 0.00 0.04 0.00 0.00 34.50 30.60 2dna s PRO 64 CO -0.21 -1.48 0.65 -1.12 0.04 0.00 0.00 177.00 174.88 2dna s SER 65 N 3.75 -1.47 0.00 6.66 0.01 -1.26 -4.98 113.70 116.41 2dna s SER 65 Ca 0.61 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2dna s SER 65 Cb -0.14 1.89 0.00 0.00 0.21 0.00 0.00 66.02 67.98 2dna s SER 65 CO 0.31 -0.21 0.00 -0.24 0.41 0.00 0.00 173.24 173.51 2dna n SER 66 N 4.82 0.00 -0.89 2.44 2.88 -1.26 -5.33 113.62 116.27 2dna n SER 66 Ca 0.08 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.73 2dna n SER 66 Cb 0.56 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.11 2dna n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42