#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 -0.92 -0.21 1.61 0.15 -1.26 -4.94 113.70 108.14 2dna s SER 2 Ca 0.00 1.29 -0.09 0.00 0.70 0.00 0.00 55.95 57.85 2dna s SER 2 Cb 0.00 1.95 0.04 0.00 -1.71 0.00 0.00 66.02 66.30 2dna s SER 2 CO 0.00 -0.18 0.19 -0.24 1.20 0.00 0.00 173.24 174.20 2dna n SER 3 N 5.08 -2.30 0.00 5.45 2.88 -1.26 -0.94 113.62 122.53 2dna n SER 3 Ca -0.12 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 2dna n SER 3 Cb 0.52 -5.12 0.00 0.00 -0.75 0.00 0.00 64.21 58.85 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 1.53 -0.21 0.32 0.46 0.00 -1.26 -3.57 105.19 102.47 2dna n GLY 4 Ca -0.32 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 2dna n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dna h SER 5 N 7.63 -0.64 -1.05 1.61 0.87 -2.01 -3.43 113.55 116.53 2dna h SER 5 Ca 0.00 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 2dna h SER 5 Cb 0.00 0.17 -0.21 0.00 -0.44 0.00 0.00 62.40 61.91 2dna h SER 5 CO 0.00 -0.26 -0.33 -0.44 -0.53 0.00 0.00 176.83 175.27 2dna s SER 6 N -4.69 -1.40 0.98 6.23 0.01 -1.26 -3.46 113.70 110.11 2dna s SER 6 Ca -0.13 0.52 -0.15 0.00 1.31 0.00 0.00 55.95 57.49 2dna s SER 6 Cb 0.02 2.05 -0.05 0.00 0.21 0.00 0.00 66.02 68.25 2dna s SER 6 CO 0.44 -0.28 -0.17 0.61 0.41 0.00 0.00 173.24 174.25 2dna n GLY 7 N 5.42 -3.20 2.56 3.44 0.00 -0.12 -4.71 105.19 108.58 2dna n GLY 7 Ca 0.02 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 0.19 2.66 -3.60 1.61 -0.04 -1.26 -4.73 135.00 129.83 2dna n PRO 8 Ca 0.03 -1.85 -0.04 0.00 -0.04 0.00 0.00 63.50 61.60 2dna n PRO 8 Cb 0.55 -2.68 -0.02 0.00 -0.04 0.00 0.00 33.50 31.31 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 3.11 -0.12 0.02 3.54 0.15 -1.26 -5.07 113.70 114.07 2dna s SER 9 Ca 0.52 0.00 -0.24 0.00 0.70 0.00 0.00 55.95 56.94 2dna s SER 9 Cb 0.14 0.13 -0.13 0.00 -1.71 0.00 0.00 66.02 64.44 2dna s SER 9 CO -0.03 -0.20 1.18 0.45 1.20 0.00 0.00 173.24 175.83 2dna h HIS 10 N 2.00 -0.80 -6.20 3.44 3.86 -2.00 -3.48 115.15 111.97 2dna h HIS 10 Ca -0.08 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.02 2dna h HIS 10 Cb 1.16 0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.90 2dna h HIS 10 CO 0.28 -0.50 -1.03 0.43 0.86 0.00 0.00 177.93 177.98 2dna n SER 11 N -4.71 -6.57 -3.98 2.45 7.64 -1.26 -4.99 113.62 102.19 2dna n SER 11 Ca -0.11 0.41 -0.20 0.00 1.01 0.00 0.00 58.87 59.98 2dna n SER 11 Cb 0.34 -2.28 -0.16 0.00 -1.01 0.00 0.00 64.21 61.11 2dna n SER 11 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2dna s LEU 12 N -1.51 1.72 0.30 -3.43 0.20 -1.26 -4.95 118.68 109.76 2dna s LEU 12 Ca 0.10 -0.18 -0.20 0.00 0.69 0.00 0.00 54.13 54.54 2dna s LEU 12 Cb -0.01 -0.54 0.03 0.00 -0.43 0.00 0.00 46.19 45.24 2dna s LEU 12 CO 0.35 0.05 0.74 0.00 -0.29 0.00 0.00 176.35 177.19 2dna s GLN 13 N 0.31 1.87 0.72 1.98 -2.07 -1.26 -5.15 119.66 116.06 2dna s GLN 13 Ca -0.05 -1.08 -0.17 0.00 -1.82 0.00 0.00 55.36 52.25 2dna s GLN 13 Cb -0.10 0.61 -0.09 0.00 -1.09 0.00 0.00 33.01 32.34 2dna s GLN 13 CO 0.01 -0.86 0.04 0.00 -1.32 0.00 0.00 175.29 173.16 2dna n ALA 14 N -0.47 -2.86 0.04 2.60 0.00 -1.26 -4.83 120.51 113.73 2dna n ALA 14 Ca -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.09 2dna n ALA 14 Cb 0.59 -1.56 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.42 -0.15 -1.00 0.00 0.13 -2.00 -2.61 132.00 125.95 2dna h PRO 15 Ca -0.44 0.01 0.34 0.00 -0.87 0.00 0.00 66.00 65.05 2dna h PRO 15 Cb 1.37 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.38 2dna h PRO 15 CO 0.38 -0.10 0.56 1.05 -0.23 0.00 0.00 178.00 179.67 2dna h GLU 16 N -0.48 0.25 -0.60 0.86 -0.00 -1.92 1.64 114.58 114.33 2dna h GLU 16 Ca -0.02 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.29 2dna h GLU 16 Cb 0.12 -0.06 -0.03 0.00 -0.00 0.00 0.00 28.75 28.78 2dna h GLU 16 CO 0.03 0.16 0.22 0.28 -0.00 0.00 0.00 179.01 179.70 2dna h VAL 17 N 0.25 1.23 -0.30 -1.06 2.07 -1.94 1.43 116.25 117.95 2dna h VAL 17 Ca 0.76 -0.76 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 2dna h VAL 17 Cb 1.81 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2dna h VAL 17 CO -0.64 0.29 -0.35 -0.09 0.02 0.00 0.00 177.57 176.80 2dna h ARG 18 N 0.85 0.76 -0.85 1.57 2.43 0.24 -3.15 114.38 116.23 2dna h ARG 18 Ca 0.20 -0.42 -0.55 0.00 -0.81 0.00 0.00 59.98 58.40 2dna h ARG 18 Cb 0.23 0.02 -0.29 0.00 -0.42 0.00 0.00 29.97 29.52 2dna h ARG 18 CO -0.01 1.04 0.35 1.19 -1.51 0.00 0.00 179.97 181.03 2dna n PHE 19 N -4.20 2.77 0.13 2.20 3.72 0.25 -4.64 117.46 117.69 2dna n PHE 19 Ca -0.04 -2.43 -0.11 0.00 -0.05 0.00 0.00 57.45 54.82 2dna n PHE 19 Cb 0.51 -0.99 -0.07 0.00 -0.94 0.00 0.00 39.48 37.99 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 1.69 -0.33 -1.72 4.37 4.64 0.20 -1.60 113.55 120.81 2dna h SER 20 Ca 0.51 -0.19 0.50 0.00 -0.47 0.00 0.00 61.79 62.14 2dna h SER 20 Cb 1.47 0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 63.57 2dna h SER 20 CO 1.15 0.14 1.23 0.11 -0.87 0.00 0.00 176.83 178.59 2dna h LYS 21 N -0.94 0.01 0.02 4.77 1.57 -1.82 0.50 116.57 120.67 2dna h LYS 21 Ca -0.04 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2dna h LYS 21 Cb 0.50 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2dna h LYS 21 CO 0.07 0.01 -0.01 0.93 -0.57 0.00 0.00 179.45 179.87 2dna h GLU 22 N 0.01 -0.03 -1.07 3.15 3.07 -1.87 -3.08 114.58 114.75 2dna h GLU 22 Ca 0.83 0.00 0.30 0.00 -0.50 0.00 0.00 59.36 59.99 2dna h GLU 22 Cb 3.28 0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 31.08 2dna h GLU 22 CO -0.04 0.41 0.67 0.52 -1.40 0.00 0.00 179.01 179.17 2dna h MET 23 N -0.99 0.36 -0.14 2.33 2.86 0.89 0.66 114.93 120.91 2dna h MET 23 Ca -0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2dna h MET 23 Cb 0.45 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2dna h MET 23 CO 0.01 0.24 0.02 0.93 1.06 0.00 0.00 176.91 179.16 2dna h GLU 24 N 0.37 0.23 0.07 1.72 4.39 -0.96 -0.89 114.58 119.50 2dna h GLU 24 Ca 0.66 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.29 2dna h GLU 24 Cb 1.65 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 2dna h GLU 24 CO -0.40 0.42 -0.03 0.00 -1.16 0.00 0.00 179.01 177.84 2dna h LEU 26 N -0.27 -0.63 0.07 0.00 3.38 0.18 0.19 115.31 118.23 2dna h LEU 26 Ca -0.01 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2dna h LEU 26 Cb 0.24 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2dna h LEU 26 CO 0.02 -0.22 -0.28 1.56 0.09 0.00 0.00 178.44 179.61 2dna h GLN 27 N -0.01 -0.44 -0.78 1.13 1.08 -0.90 0.02 115.11 115.21 2dna h GLN 27 Ca 0.31 0.03 0.17 0.00 -1.45 0.00 0.00 58.65 57.70 2dna h GLN 27 Cb 0.48 0.10 -0.14 0.00 -0.05 0.00 0.00 27.48 27.86 2dna h GLN 27 CO -0.67 -0.30 -0.13 0.00 -0.95 0.00 0.00 178.83 176.79 2dna h ALA 28 N 0.29 0.62 -0.48 3.87 0.00 -0.15 1.24 119.26 124.65 2dna h ALA 28 Ca 0.04 0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.29 2dna h ALA 28 Cb 0.52 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2dna h ALA 28 CO -0.20 -0.42 0.32 0.52 0.00 0.00 0.00 179.25 179.47 2dna h MET 29 N 0.03 0.45 0.00 0.00 2.86 -0.28 -3.45 114.93 114.53 2dna h MET 29 Ca 0.39 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2dna h MET 29 Cb 0.64 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2dna h MET 29 CO -0.77 0.30 0.00 0.41 1.06 0.00 0.00 176.91 177.91 2dna n GLY 30 N -1.50 1.11 3.37 8.32 0.00 0.43 -5.04 105.19 111.88 2dna n GLY 30 Ca 0.06 0.00 -0.37 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 1.44 0.22 1.61 3.72 -0.10 -4.56 117.46 119.77 2dna n PHE 31 Ca 0.00 -1.18 0.09 0.00 -0.05 0.00 0.00 57.45 56.31 2dna n PHE 31 Cb 0.00 -1.76 0.45 0.00 -0.94 0.00 0.00 39.48 37.23 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 5.25 0.65 -0.26 -4.37 -1.51 -1.81 -3.25 116.25 110.95 2dna h VAL 32 Ca 0.28 -1.18 -0.08 0.00 -1.23 0.00 0.00 66.70 64.50 2dna h VAL 32 Cb 0.78 1.77 -0.03 0.00 -2.13 0.00 0.00 31.29 31.68 2dna h VAL 32 CO 1.71 0.25 0.44 0.59 -1.23 0.00 0.00 177.57 179.33 2dna n ASN 33 N -3.46 1.07 0.17 4.19 3.02 -1.26 -4.75 115.26 114.26 2dna n ASN 33 Ca -0.00 -1.32 -0.07 0.00 -0.03 0.00 0.00 54.58 53.15 2dna n ASN 33 Cb 0.43 -1.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.15 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 12.28 -0.43 -0.93 3.10 3.20 -1.98 0.21 116.97 132.41 2dna h TYR 34 Ca 0.01 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.02 2dna h TYR 34 Cb 1.03 0.14 -0.16 0.00 1.54 0.00 0.00 36.73 39.28 2dna h TYR 34 CO 1.21 -0.27 -0.36 -0.91 -1.64 0.00 0.00 178.16 176.19 2dna h ASN 35 N -0.67 -1.32 0.35 -2.11 2.35 -1.99 1.22 115.58 113.42 2dna h ASN 35 Ca -0.05 0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2dna h ASN 35 Cb 0.36 0.71 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 2dna h ASN 35 CO 0.08 -0.29 -0.28 0.00 -1.65 0.00 0.00 177.43 175.28 2dna h ALA 36 N 1.41 -1.04 -0.63 -0.83 0.00 -1.95 -0.93 119.26 115.30 2dna h ALA 36 Ca 0.35 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.21 2dna h ALA 36 Cb 0.60 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2dna h ALA 36 CO -0.94 -1.03 -0.51 -0.91 0.00 0.00 0.00 179.25 175.86 2dna h ASN 37 N -0.62 -1.76 -0.54 0.00 2.35 0.90 0.91 115.58 116.83 2dna h ASN 37 Ca -0.05 0.27 0.05 0.00 -0.55 0.00 0.00 56.30 56.02 2dna h ASN 37 Cb 0.52 0.77 -0.07 0.00 0.05 0.00 0.00 38.32 39.59 2dna h ASN 37 CO 0.01 -0.34 -0.34 0.25 -1.65 0.00 0.00 177.43 175.36 2dna h LEU 38 N -0.23 -1.23 -0.14 1.61 6.46 0.16 0.68 115.31 122.62 2dna h LEU 38 Ca 0.15 0.19 0.02 0.00 -0.12 0.00 0.00 57.88 58.11 2dna h LEU 38 Cb 0.55 0.54 -0.03 0.00 -0.73 0.00 0.00 40.66 40.98 2dna h LEU 38 CO -0.72 -0.14 -0.26 1.56 -0.62 0.00 0.00 178.44 178.25 2dna h GLN 39 N -0.03 -0.22 -0.68 1.25 4.20 0.28 0.35 115.11 120.26 2dna h GLN 39 Ca 0.09 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.88 2dna h GLN 39 Cb 0.25 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 27.99 2dna h GLN 39 CO -0.52 -0.14 -0.47 0.00 -0.67 0.00 0.00 178.83 177.03 2dna h ALA 40 N -0.79 -0.50 -0.78 3.87 0.00 0.18 0.50 119.26 121.75 2dna h ALA 40 Ca 0.03 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2dna h ALA 40 Cb 0.30 1.24 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 2dna h ALA 40 CO -0.25 -0.81 -0.48 -0.07 0.00 0.00 0.00 179.25 177.64 2dna h LEU 41 N -0.08 -1.76 -0.81 0.00 3.38 0.95 1.18 115.31 118.18 2dna h LEU 41 Ca 0.11 0.27 0.17 0.00 0.09 0.00 0.00 57.88 58.52 2dna h LEU 41 Cb 0.36 0.78 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 2dna h LEU 41 CO -0.68 -0.20 0.30 0.40 0.09 0.00 0.00 178.44 178.35 2dna h ILE 42 N -0.03 0.55 0.00 1.22 2.04 0.12 1.78 117.51 123.19 2dna h ILE 42 Ca 0.12 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2dna h ILE 42 Cb 0.35 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2dna h ILE 42 CO -0.75 0.07 -0.10 0.00 0.00 0.00 0.00 178.15 177.38 2dna h ALA 43 N 1.62 1.48 -0.35 1.87 0.00 0.58 -0.38 119.26 124.08 2dna h ALA 43 Ca 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2dna h ALA 43 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dna h ALA 43 CO -0.48 0.12 0.00 0.25 0.00 0.00 0.00 179.25 179.15 2dna n THR 44 N -3.91 1.90 -4.15 0.00 -2.24 0.49 -4.96 114.28 101.40 2dna n THR 44 Ca -0.02 -1.52 -0.32 0.00 -2.27 0.00 0.00 64.05 59.92 2dna n THR 44 Cb 0.19 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.04 -0.43 -2.33 3.42 8.00 0.49 -3.29 116.55 122.46 2dna n ASP 45 Ca 0.19 -1.20 -0.02 0.00 0.71 0.00 0.00 54.79 54.48 2dna n ASP 45 Cb 0.78 -2.09 0.00 0.00 -0.02 0.00 0.00 41.12 39.79 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 -2.31 -2.90 3.07 0.44 0.00 0.36 -4.97 105.19 98.88 2dna n GLY 46 Ca -0.28 0.42 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.41 -0.76 0.08 1.61 2.15 -1.21 -5.05 116.67 112.09 2dna s ASP 47 Ca 0.06 -0.63 -0.20 0.00 0.43 0.00 0.00 52.55 52.20 2dna s ASP 47 Cb -0.02 1.59 -0.07 0.00 -0.30 0.00 0.00 42.92 44.12 2dna s ASP 47 CO 0.51 -0.25 1.33 0.71 -0.17 0.00 0.00 175.17 177.31 2dna h THR 48 N 5.43 0.00 -0.28 1.71 1.35 -1.96 0.93 112.91 120.10 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 1.15 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.54 2dna h THR 48 CO 0.16 0.00 -0.17 -1.13 -0.25 0.00 0.00 175.52 174.12 2dna h ASN 49 N -0.28 -0.63 -0.36 5.36 -0.73 -1.98 1.48 115.58 118.44 2dna h ASN 49 Ca 0.04 0.10 0.06 0.00 1.87 0.00 0.00 56.30 58.37 2dna h ASN 49 Cb 0.38 0.28 -0.09 0.00 0.27 0.00 0.00 38.32 39.16 2dna h ASN 49 CO -0.34 -0.07 -0.43 0.00 -0.37 0.00 0.00 177.43 176.22 2dna h ALA 50 N -0.59 -0.48 -0.45 1.57 0.00 -1.86 0.94 119.26 118.40 2dna h ALA 50 Ca 0.04 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2dna h ALA 50 Cb 0.13 0.89 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 2dna h ALA 50 CO -0.27 -0.89 -0.42 0.00 0.00 0.00 0.00 179.25 177.67 2dna h ALA 51 N 0.35 -0.38 0.35 0.00 0.00 0.31 0.19 119.26 120.07 2dna h ALA 51 Ca 0.12 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2dna h ALA 51 Cb 0.59 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2dna h ALA 51 CO -0.55 -0.84 -0.33 0.82 0.00 0.00 0.00 179.25 178.35 2dna h ILE 52 N -0.30 0.00 -0.87 0.00 2.04 0.35 0.23 117.51 118.96 2dna h ILE 52 Ca 0.15 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.28 2dna h ILE 52 Cb 0.58 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.49 2dna h ILE 52 CO -0.60 0.00 0.11 -1.22 0.00 0.00 0.00 178.15 176.44 2dna n TYR 53 N -4.37 0.65 0.30 1.37 4.01 0.31 0.82 117.16 120.25 2dna n TYR 53 Ca -0.08 1.04 -0.12 0.00 -0.16 0.00 0.00 57.90 58.58 2dna n TYR 53 Cb 0.30 -1.21 -0.06 0.00 -0.31 0.00 0.00 39.34 38.06 2dna n TYR 53 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2dna h LYS 54 N 0.00 -0.78 -0.42 -0.72 1.57 -0.02 -1.85 116.57 114.34 2dna h LYS 54 Ca 0.57 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.45 2dna h LYS 54 Cb 1.27 0.18 -0.08 0.00 0.08 0.00 0.00 32.23 33.68 2dna h LYS 54 CO -0.79 -0.52 -0.52 -0.07 -0.57 0.00 0.00 179.45 176.98 2dna h LEU 55 N -1.16 -1.77 -0.56 2.94 3.38 0.29 0.61 115.31 119.06 2dna h LEU 55 Ca -0.08 0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2dna h LEU 55 Cb 0.62 0.73 -0.08 0.00 0.09 0.00 0.00 40.66 42.02 2dna h LEU 55 CO 0.14 -0.37 -0.47 0.11 0.09 0.00 0.00 178.44 177.94 2dna h LYS 56 N -0.35 -0.17 -0.16 1.13 1.79 0.35 -0.86 116.57 118.30 2dna h LYS 56 Ca 0.07 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 2dna h LYS 56 Cb 0.54 0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.17 2dna h LYS 56 CO -0.58 -0.11 -0.50 1.03 -1.08 0.00 0.00 179.45 178.21 2dna h SER 57 N -0.18 -1.58 -2.89 0.86 0.87 -0.35 -3.42 113.55 106.86 2dna h SER 57 Ca 0.09 0.20 -0.47 0.00 -1.23 0.00 0.00 61.79 60.38 2dna h SER 57 Cb 0.42 0.63 0.22 0.00 -0.44 0.00 0.00 62.40 63.23 2dna h SER 57 CO -0.62 -0.46 -0.59 -0.24 -0.53 0.00 0.00 176.83 174.40 2dna n SER 58 N -5.43 -1.95 -4.89 6.23 2.88 0.20 -5.00 113.62 105.65 2dna n SER 58 Ca -0.05 -0.03 -0.24 0.00 -1.33 0.00 0.00 58.87 57.22 2dna n SER 58 Cb 0.37 -1.12 0.06 0.00 -0.75 0.00 0.00 64.21 62.77 2dna n SER 58 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2dna s GLN 59 N -3.85 2.21 0.00 -1.46 -0.44 -1.26 -4.88 119.66 109.98 2dna s GLN 59 Ca 0.61 -0.55 0.00 0.00 -2.50 0.00 0.00 55.36 52.92 2dna s GLN 59 Cb -0.18 -2.29 0.00 0.00 -1.64 0.00 0.00 33.01 28.89 2dna s GLN 59 CO 0.65 -1.11 0.00 0.41 0.50 0.00 0.00 175.29 175.75 2dna n GLY 60 N -2.73 -0.40 3.64 2.59 0.00 -1.26 -5.02 105.19 102.01 2dna n GLY 60 Ca 0.09 0.50 -0.43 0.00 0.00 0.00 0.00 46.02 46.18 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 1.57 -0.10 1.61 5.36 -1.26 -4.86 117.98 120.29 2dna s PHE 61 Ca 0.00 0.15 -0.41 0.00 -0.96 0.00 0.00 56.93 55.71 2dna s PHE 61 Cb 0.00 -4.05 -0.19 0.00 -0.34 0.00 0.00 43.02 38.43 2dna s PHE 61 CO 0.00 -4.26 1.24 0.43 -1.46 0.00 0.00 175.22 171.17 2dna n SER 62 N 8.78 0.54 -4.49 6.13 7.64 -1.26 -4.51 113.62 126.45 2dna n SER 62 Ca 0.22 1.16 -0.42 0.00 1.01 0.00 0.00 58.87 60.84 2dna n SER 62 Cb 0.43 -0.95 -0.15 0.00 -1.01 0.00 0.00 64.21 62.53 2dna n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dna n GLY 63 N 2.25 -0.46 2.81 0.23 0.00 -1.26 -4.72 105.19 104.03 2dna n GLY 63 Ca 0.22 1.15 -0.39 0.00 0.00 0.00 0.00 46.02 47.00 2dna n GLY 63 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dna n PRO 64 N 8.46 2.31 -2.93 1.61 -0.04 -1.26 -4.54 135.00 138.61 2dna n PRO 64 Ca 0.65 -2.09 -0.03 0.00 -0.04 0.00 0.00 63.50 61.98 2dna n PRO 64 Cb 0.04 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 2dna n PRO 64 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dna n SER 65 N 6.07 -7.42 -4.58 3.54 7.64 -1.26 -4.65 113.62 112.97 2dna n SER 65 Ca 0.53 0.92 -0.60 0.00 1.01 0.00 0.00 58.87 60.73 2dna n SER 65 Cb 0.34 -3.94 -0.09 0.00 -1.01 0.00 0.00 64.21 59.51 2dna n SER 65 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dna n SER 66 N 0.73 1.68 0.00 6.43 3.41 -1.26 -5.29 113.62 119.32 2dna n SER 66 Ca 0.01 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 2dna n SER 66 Cb 0.25 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 2dna n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49