#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 -2.04 -4.15 1.61 2.88 -1.26 -5.13 113.62 105.54 2dna n SER 2 Ca 0.00 0.61 -0.28 0.00 -1.33 0.00 0.00 58.87 57.88 2dna n SER 2 Cb 0.00 2.11 -0.16 0.00 -0.75 0.00 0.00 64.21 65.41 2dna n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dna s SER 3 N -2.00 2.38 0.00 -3.46 1.04 -1.26 -5.06 113.70 105.34 2dna s SER 3 Ca 0.00 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2dna s SER 3 Cb 0.00 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.30 2dna s SER 3 CO 0.00 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2dna n GLY 4 N 3.31 -0.40 1.41 7.32 0.00 -1.26 -5.15 105.19 110.42 2dna n GLY 4 Ca -0.19 0.71 0.17 0.00 0.00 0.00 0.00 46.02 46.70 2dna n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dna n SER 5 N 0.00 -7.70 -4.04 1.61 7.64 -1.26 -4.93 113.62 104.93 2dna n SER 5 Ca 0.00 1.28 -0.23 0.00 1.01 0.00 0.00 58.87 60.93 2dna n SER 5 Cb 0.00 -4.78 -0.16 0.00 -1.01 0.00 0.00 64.21 58.26 2dna n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dna s SER 6 N -7.13 1.61 0.00 6.43 0.01 -1.26 -4.97 113.70 108.38 2dna s SER 6 Ca 0.00 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2dna s SER 6 Cb 0.00 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.70 2dna s SER 6 CO 0.00 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2dna n GLY 7 N 3.41 -1.85 3.44 3.44 0.00 -1.26 -5.04 105.19 107.33 2dna n GLY 7 Ca -0.20 0.64 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 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 2.36 0.44 1.61 -0.04 -1.26 -4.75 135.00 133.36 2dna n PRO 8 Ca 0.00 -2.74 -0.18 0.00 -0.04 0.00 0.00 63.50 60.54 2dna n PRO 8 Cb 0.00 -3.51 -0.08 0.00 -0.04 0.00 0.00 33.50 29.87 2dna n PRO 8 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dna h SER 9 N 8.28 -0.95 -1.92 3.54 0.02 -1.98 -3.45 113.55 117.09 2dna h SER 9 Ca 0.37 0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.77 2dna h SER 9 Cb 0.85 0.25 -0.10 0.00 0.14 0.00 0.00 62.40 63.54 2dna h SER 9 CO 1.47 -0.60 -0.60 -2.28 -1.14 0.00 0.00 176.83 173.68 2dna s HIS 10 N -5.32 2.59 -0.62 3.45 2.46 -1.26 -5.09 115.29 111.50 2dna s HIS 10 Ca -0.17 -0.42 -0.03 0.00 0.47 0.00 0.00 55.06 54.91 2dna s HIS 10 Cb 0.02 -1.52 0.16 0.00 -0.13 0.00 0.00 32.58 31.11 2dna s HIS 10 CO 0.51 0.44 0.44 -1.54 -2.47 0.00 0.00 174.74 172.13 2dna s SER 11 N -3.75 5.31 -0.28 9.88 1.04 -1.26 -4.98 113.70 119.66 2dna s SER 11 Ca 0.35 -2.80 0.02 0.00 0.48 0.00 0.00 55.95 54.00 2dna s SER 11 Cb -0.01 -1.87 0.16 0.00 0.10 0.00 0.00 66.02 64.40 2dna s SER 11 CO 0.20 -0.39 0.43 -0.22 0.98 0.00 0.00 173.24 174.24 2dna s LEU 12 N 0.01 -0.87 0.25 2.42 0.20 -1.26 -5.15 118.68 114.28 2dna s LEU 12 Ca 0.16 -0.20 0.12 0.00 0.69 0.00 0.00 54.13 54.91 2dna s LEU 12 Cb -0.20 1.24 -0.05 0.00 -0.43 0.00 0.00 46.19 46.75 2dna s LEU 12 CO -0.04 -0.34 -0.20 -1.58 -0.29 0.00 0.00 176.35 173.90 2dna s GLN 13 N 2.59 1.67 0.67 1.98 0.74 -1.26 -5.11 119.66 120.94 2dna s GLN 13 Ca 0.11 -1.68 -0.17 0.00 0.05 0.00 0.00 55.36 53.67 2dna s GLN 13 Cb -0.13 -1.81 -0.06 0.00 1.10 0.00 0.00 33.01 32.11 2dna s GLN 13 CO -0.27 0.35 0.49 0.00 -0.55 0.00 0.00 175.29 175.30 2dna n ALA 14 N -0.37 -1.51 0.07 1.58 0.00 -1.26 -4.83 120.51 114.19 2dna n ALA 14 Ca -0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.16 2dna n ALA 14 Cb 0.59 -1.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.18 -0.23 -1.04 0.00 0.13 -1.99 -1.82 132.00 126.88 2dna h PRO 15 Ca -0.45 0.02 0.33 0.00 -0.87 0.00 0.00 66.00 65.02 2dna h PRO 15 Cb 1.37 0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.40 2dna h PRO 15 CO 0.44 -0.15 0.60 1.05 -0.23 0.00 0.00 178.00 179.71 2dna h GLU 16 N -0.75 0.29 -0.29 0.86 4.11 -1.92 1.60 114.58 118.47 2dna h GLU 16 Ca -0.02 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 59.23 2dna h GLU 16 Cb 0.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2dna h GLU 16 CO 0.04 0.19 -0.45 0.28 0.07 0.00 0.00 179.01 179.14 2dna h VAL 17 N 0.30 1.29 0.61 -1.06 2.07 -1.94 -1.95 116.25 115.57 2dna h VAL 17 Ca 0.74 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 2dna h VAL 17 Cb 1.77 1.54 0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2dna h VAL 17 CO -0.57 0.53 -0.29 -0.09 0.02 0.00 0.00 177.57 177.16 2dna h ARG 18 N 0.61 -0.79 -2.26 1.57 1.12 0.29 -3.30 114.38 111.61 2dna h ARG 18 Ca 0.04 0.05 -0.77 0.00 -1.11 0.00 0.00 59.98 58.19 2dna h ARG 18 Cb 1.01 0.18 -0.23 0.00 -0.01 0.00 0.00 29.97 30.92 2dna h ARG 18 CO 0.10 -0.53 1.28 1.19 -3.11 0.00 0.00 179.97 178.90 2dna n PHE 19 N -5.00 2.70 -0.09 2.20 3.72 0.16 -4.58 117.46 116.57 2dna n PHE 19 Ca -0.10 -2.53 -0.14 0.00 -0.05 0.00 0.00 57.45 54.62 2dna n PHE 19 Cb 0.32 -1.34 -0.07 0.00 -0.94 0.00 0.00 39.48 37.46 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 4.00 0.00 -1.30 4.37 4.64 -1.43 -3.12 113.55 120.71 2dna h SER 20 Ca 0.57 -0.28 0.39 0.00 -0.47 0.00 0.00 61.79 61.99 2dna h SER 20 Cb 0.29 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.29 2dna h SER 20 CO 1.26 1.17 0.88 0.11 -0.87 0.00 0.00 176.83 179.39 2dna h LYS 21 N -1.00 0.13 0.23 4.77 1.57 -1.86 0.19 116.57 120.60 2dna h LYS 21 Ca -0.20 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2dna h LYS 21 Cb 0.96 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2dna h LYS 21 CO -0.12 0.08 -0.11 0.93 -0.57 0.00 0.00 179.45 179.66 2dna h GLU 22 N 0.13 -0.29 -0.98 3.15 3.07 -1.91 -2.92 114.58 114.83 2dna h GLU 22 Ca 0.71 0.02 0.32 0.00 -0.50 0.00 0.00 59.36 59.92 2dna h GLU 22 Cb 2.38 0.07 -0.15 0.00 -0.84 0.00 0.00 28.75 30.21 2dna h GLU 22 CO -0.23 0.01 0.50 0.52 -1.40 0.00 0.00 179.01 178.41 2dna h MET 23 N -0.99 0.24 -0.63 2.33 2.86 -0.64 1.03 114.93 119.14 2dna h MET 23 Ca -0.03 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 2dna h MET 23 Cb 0.44 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2dna h MET 23 CO 0.05 0.16 0.15 0.93 1.06 0.00 0.00 176.91 179.27 2dna h GLU 24 N 0.25 1.00 -0.40 1.72 4.39 -1.13 -1.38 114.58 119.03 2dna h GLU 24 Ca 0.72 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 60.12 2dna h GLU 24 Cb 1.66 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 30.16 2dna h GLU 24 CO -0.65 0.91 0.01 0.00 -1.16 0.00 0.00 179.01 178.12 2dna h LEU 26 N 0.61 -0.70 -0.95 0.00 3.38 -0.07 -2.90 115.31 114.68 2dna h LEU 26 Ca 0.13 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.28 2dna h LEU 26 Cb 0.37 0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.14 2dna h LEU 26 CO 0.01 -0.48 -0.33 0.00 0.09 0.00 0.00 178.44 177.73 2dna n GLN 27 N -4.33 -0.18 -0.29 1.13 1.13 -0.58 0.63 117.38 114.90 2dna n GLN 27 Ca -0.10 1.47 -0.06 0.00 -1.94 0.00 0.00 57.00 56.36 2dna n GLN 27 Cb 0.33 -2.18 -0.02 0.00 0.11 0.00 0.00 30.24 28.48 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 1.50 -0.17 -0.67 -1.58 0.00 -1.36 1.28 119.26 118.26 2dna h ALA 28 Ca 0.37 0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.58 2dna h ALA 28 Cb 0.61 1.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 2dna h ALA 28 CO -0.95 -0.76 0.45 0.52 0.00 0.00 0.00 179.25 178.50 2dna h MET 29 N -0.11 0.37 0.00 0.00 2.86 0.40 -3.45 114.93 115.00 2dna h MET 29 Ca 0.24 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2dna h MET 29 Cb 0.55 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2dna h MET 29 CO -0.82 0.25 0.00 0.41 1.06 0.00 0.00 176.91 177.81 2dna n GLY 30 N -1.53 1.02 3.33 8.32 0.00 0.44 -5.04 105.19 111.74 2dna n GLY 30 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 2.13 -0.20 1.61 3.72 -1.07 -4.63 117.46 119.02 2dna n PHE 31 Ca 0.00 -1.57 -0.08 0.00 -0.05 0.00 0.00 57.45 55.75 2dna n PHE 31 Cb 0.00 -2.06 0.06 0.00 -0.94 0.00 0.00 39.48 36.53 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 1.26 -0.06 -4.37 -1.51 -1.85 -3.23 116.25 111.74 2dna h VAL 32 Ca 0.32 -1.12 -0.46 0.00 -1.23 0.00 0.00 66.70 64.21 2dna h VAL 32 Cb 0.79 0.78 -0.09 0.00 -2.13 0.00 0.00 31.29 30.64 2dna h VAL 32 CO 1.64 0.41 1.80 0.59 -1.23 0.00 0.00 177.57 180.77 2dna n ASN 33 N -4.19 -0.02 -0.04 4.19 3.02 -1.26 -4.74 115.26 112.22 2dna n ASN 33 Ca 0.03 -0.03 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 2dna n ASN 33 Cb 0.33 -0.87 -0.00 0.00 -0.61 0.00 0.00 39.78 38.64 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 12.07 0.00 -0.92 3.10 3.20 -1.98 -1.04 116.97 131.39 2dna h TYR 34 Ca -0.04 0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.10 2dna h TYR 34 Cb 1.26 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 2dna h TYR 34 CO 1.15 0.00 0.93 -0.97 -1.64 0.00 0.00 178.16 177.63 2dna h ASN 35 N -0.81 0.00 0.00 -2.11 -0.73 -1.99 0.48 115.58 110.42 2dna h ASN 35 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2dna h ASN 35 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2dna h ASN 35 CO 0.00 0.00 -0.09 0.00 -0.37 0.00 0.00 177.43 176.97 2dna h ALA 36 N 1.02 0.00 -0.93 1.57 0.00 -1.93 -3.06 119.26 115.92 2dna h ALA 36 Ca 0.44 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.33 2dna h ALA 36 Cb 2.28 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 20.01 2dna h ALA 36 CO -0.00 0.09 -0.35 -0.91 0.00 0.00 0.00 179.25 178.08 2dna h ASN 37 N -0.37 -1.29 0.11 0.00 2.35 0.17 0.22 115.58 116.78 2dna h ASN 37 Ca 0.00 0.29 0.01 0.00 -0.55 0.00 0.00 56.30 56.05 2dna h ASN 37 Cb 0.09 0.70 -0.04 0.00 0.05 0.00 0.00 38.32 39.12 2dna h ASN 37 CO 0.00 -0.30 -0.42 0.25 -1.65 0.00 0.00 177.43 175.32 2dna h LEU 38 N -0.02 -1.25 -1.41 1.61 6.46 -0.29 0.58 115.31 121.00 2dna h LEU 38 Ca 0.35 0.13 0.37 0.00 -0.12 0.00 0.00 57.88 58.62 2dna h LEU 38 Cb 0.61 0.46 -0.11 0.00 -0.73 0.00 0.00 40.66 40.89 2dna h LEU 38 CO -0.95 -0.44 0.79 1.56 -0.62 0.00 0.00 178.44 178.78 2dna h GLN 39 N -0.60 0.18 0.20 1.25 1.08 -0.65 0.36 115.11 116.93 2dna h GLN 39 Ca -0.01 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2dna h GLN 39 Cb 0.60 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2dna h GLN 39 CO -0.22 0.12 -0.10 0.00 -0.95 0.00 0.00 178.83 177.69 2dna h ALA 40 N 1.60 -0.27 -0.42 3.87 0.00 0.17 -2.08 119.26 122.13 2dna h ALA 40 Ca 0.73 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.50 2dna h ALA 40 Cb 2.20 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 20.00 2dna h ALA 40 CO -0.37 -0.37 -0.47 -0.07 0.00 0.00 0.00 179.25 177.97 2dna h LEU 41 N -0.83 -1.57 -0.75 0.00 3.38 0.39 0.50 115.31 116.43 2dna h LEU 41 Ca -0.03 0.23 0.15 0.00 0.09 0.00 0.00 57.88 58.32 2dna h LEU 41 Cb 0.52 0.67 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 2dna h LEU 41 CO 0.05 -0.38 0.28 0.40 0.09 0.00 0.00 178.44 178.87 2dna h ILE 42 N -0.35 0.63 0.00 1.22 2.04 -0.93 1.42 117.51 121.54 2dna h ILE 42 Ca 0.12 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2dna h ILE 42 Cb 0.59 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2dna h ILE 42 CO -0.59 0.07 -0.05 0.00 0.00 0.00 0.00 178.15 177.58 2dna h ALA 43 N 1.56 1.35 -0.30 1.87 0.00 0.29 0.27 119.26 124.30 2dna h ALA 43 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2dna h ALA 43 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2dna h ALA 43 CO -0.42 0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.15 2dna n THR 44 N -3.66 2.04 -4.45 0.00 -2.24 0.40 -4.95 114.28 101.43 2dna n THR 44 Ca -0.02 -1.67 -0.40 0.00 -2.27 0.00 0.00 64.05 59.69 2dna n THR 44 Cb 0.16 -0.10 -0.07 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.22 -1.56 -1.27 3.42 -0.08 0.32 -3.42 116.55 113.74 2dna n ASP 45 Ca 0.20 -1.21 0.00 0.00 -1.51 0.00 0.00 54.79 52.27 2dna n ASP 45 Cb 0.81 -1.81 0.00 0.00 2.34 0.00 0.00 41.12 42.46 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 -1.38 -2.42 3.21 0.27 0.00 0.72 -4.97 105.19 100.62 2dna n GLY 46 Ca 0.03 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.96 -0.01 1.61 -1.08 -1.22 -5.05 116.67 109.96 2dna s ASP 47 Ca 0.00 0.71 -0.25 0.00 -0.52 0.00 0.00 52.55 52.49 2dna s ASP 47 Cb 0.00 1.85 -0.19 0.00 -1.46 0.00 0.00 42.92 43.12 2dna s ASP 47 CO 0.00 -0.18 1.24 0.71 0.52 0.00 0.00 175.17 177.46 2dna h THR 48 N 5.71 1.16 -0.23 1.71 1.35 -1.96 -0.40 112.91 120.26 2dna h THR 48 Ca -0.19 -0.97 0.02 0.00 -0.55 0.00 0.00 66.41 64.73 2dna h THR 48 Cb 1.16 1.78 -0.04 0.00 -1.73 0.00 0.00 68.15 69.32 2dna h THR 48 CO 0.10 0.24 -0.25 -1.13 -0.25 0.00 0.00 175.52 174.23 2dna h ASN 49 N -0.56 -0.84 -0.33 5.36 -0.73 -1.98 1.37 115.58 117.87 2dna h ASN 49 Ca -0.01 0.11 0.07 0.00 1.87 0.00 0.00 56.30 58.34 2dna h ASN 49 Cb 0.47 0.35 -0.06 0.00 0.27 0.00 0.00 38.32 39.35 2dna h ASN 49 CO 0.02 -0.16 -0.08 0.00 -0.37 0.00 0.00 177.43 176.83 2dna h ALA 50 N -0.67 0.22 -0.41 1.57 0.00 -1.99 0.25 119.26 118.22 2dna h ALA 50 Ca 0.04 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2dna h ALA 50 Cb 0.24 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 2dna h ALA 50 CO -0.29 -0.46 -0.31 0.00 0.00 0.00 0.00 179.25 178.19 2dna h ALA 51 N 1.33 -0.13 0.62 0.00 0.00 0.52 0.95 119.26 122.55 2dna h ALA 51 Ca 0.16 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2dna h ALA 51 Cb 0.24 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2dna h ALA 51 CO -0.34 -0.70 -0.45 0.82 0.00 0.00 0.00 179.25 178.58 2dna h ILE 52 N -0.23 0.10 -0.78 0.00 2.04 0.28 0.48 117.51 119.40 2dna h ILE 52 Ca 0.18 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.22 2dna h ILE 52 Cb 0.53 0.10 -0.12 0.00 -0.74 0.00 0.00 36.82 36.59 2dna h ILE 52 CO -0.54 0.00 0.15 0.22 0.00 0.00 0.00 178.15 177.98 2dna h TYR 53 N -1.03 0.21 0.63 1.37 3.20 0.34 0.64 116.97 122.34 2dna h TYR 53 Ca -0.08 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2dna h TYR 53 Cb 0.85 0.03 0.01 0.00 1.54 0.00 0.00 36.73 39.16 2dna h TYR 53 CO -0.15 -0.16 -0.30 0.87 -1.64 0.00 0.00 178.16 176.77 2dna h LYS 54 N 0.21 -0.82 -0.11 1.82 1.57 0.14 -1.28 116.57 118.10 2dna h LYS 54 Ca 0.45 0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.31 2dna h LYS 54 Cb 0.82 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.25 2dna h LYS 54 CO -0.59 -0.50 -0.55 -0.07 -0.57 0.00 0.00 179.45 177.17 2dna h LEU 55 N -1.00 -1.72 -0.62 2.94 3.38 0.12 0.39 115.31 118.79 2dna h LEU 55 Ca -0.09 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2dna h LEU 55 Cb 0.69 0.67 -0.09 0.00 0.09 0.00 0.00 40.66 42.02 2dna h LEU 55 CO 0.14 -0.49 -0.50 0.11 0.09 0.00 0.00 178.44 177.79 2dna h LYS 56 N -0.60 -0.16 -0.20 1.13 1.57 0.24 -0.52 116.57 118.03 2dna h LYS 56 Ca 0.03 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2dna h LYS 56 Cb 0.69 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 2dna h LYS 56 CO -0.43 -0.11 -0.48 1.03 -0.57 0.00 0.00 179.45 178.90 2dna h SER 57 N -0.17 -1.52 -3.62 0.86 0.87 -0.46 -3.41 113.55 106.10 2dna h SER 57 Ca 0.10 0.20 -0.57 0.00 -1.23 0.00 0.00 61.79 60.29 2dna h SER 57 Cb 0.43 0.62 0.14 0.00 -0.44 0.00 0.00 62.40 63.16 2dna h SER 57 CO -0.67 -0.44 0.34 -1.20 -0.53 0.00 0.00 176.83 174.33 2dna n SER 58 N -5.43 1.73 -4.14 6.23 7.64 0.13 -5.01 113.62 114.77 2dna n SER 58 Ca -0.04 0.95 -0.16 0.00 1.01 0.00 0.00 58.87 60.63 2dna n SER 58 Cb 0.37 -1.46 -0.12 0.00 -1.01 0.00 0.00 64.21 61.99 2dna n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dna s GLN 59 N -2.58 0.75 0.02 1.43 -2.07 -1.26 -4.85 119.66 111.10 2dna s GLN 59 Ca 0.70 -0.95 -0.04 0.00 -1.82 0.00 0.00 55.36 53.25 2dna s GLN 59 Cb -0.46 -0.62 0.01 0.00 -1.09 0.00 0.00 33.01 30.86 2dna s GLN 59 CO 0.51 0.12 0.18 0.41 -1.32 0.00 0.00 175.29 175.20 2dna n GLY 60 N 1.16 0.99 1.23 2.60 0.00 -1.26 -5.16 105.19 104.75 2dna n GLY 60 Ca -0.20 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.13 -2.88 -3.78 1.61 3.01 -1.26 -4.79 117.46 109.25 2dna n PHE 61 Ca -0.00 1.52 -0.30 0.00 1.01 0.00 0.00 57.45 59.68 2dna n PHE 61 Cb 0.09 -2.62 -0.14 0.00 -0.01 0.00 0.00 39.48 36.80 2dna n PHE 61 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2dna s SER 62 N -6.25 3.98 -0.44 4.37 0.15 -1.26 -5.06 113.70 109.18 2dna s SER 62 Ca 0.00 -2.25 -0.00 0.00 0.70 0.00 0.00 55.95 54.39 2dna s SER 62 Cb 0.00 -1.10 0.12 0.00 -1.71 0.00 0.00 66.02 63.33 2dna s SER 62 CO 0.00 -0.33 0.21 -0.83 1.20 0.00 0.00 173.24 173.49 2dna s GLY 63 N 0.81 2.12 -0.59 9.45 0.00 -1.26 -5.05 107.32 112.80 2dna s GLY 63 Ca 0.14 -2.76 -0.27 0.00 0.00 0.00 0.00 44.72 41.83 2dna s GLY 63 CO -0.09 1.01 1.52 2.56 0.00 0.00 0.00 173.10 178.10 2dna s PRO 64 N 0.68 3.13 -0.30 2.90 0.04 -1.26 -4.83 135.00 135.36 2dna s PRO 64 Ca 0.12 0.43 -0.14 0.00 0.04 0.00 0.00 61.00 61.45 2dna s PRO 64 Cb -0.22 -4.20 0.18 0.00 0.04 0.00 0.00 34.50 30.31 2dna s PRO 64 CO -0.05 -2.15 1.13 -1.54 0.04 0.00 0.00 177.00 174.44 2dna s SER 65 N 5.25 -0.14 -0.09 6.66 1.04 -1.26 -5.12 113.70 120.03 2dna s SER 65 Ca 0.54 -0.02 -0.29 0.00 0.48 0.00 0.00 55.95 56.66 2dna s SER 65 Cb -0.11 0.70 -0.06 0.00 0.10 0.00 0.00 66.02 66.65 2dna s SER 65 CO 0.23 -0.02 1.77 -0.94 0.98 0.00 0.00 173.24 175.26 2dna s SER 66 N 2.55 6.43 0.00 7.02 1.04 -1.26 -5.30 113.70 124.18 2dna s SER 66 Ca 0.24 2.15 0.21 0.00 0.48 0.00 0.00 55.95 59.04 2dna s SER 66 Cb 0.02 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 63.78 2dna s SER 66 CO -0.20 -1.14 1.17 0.61 0.98 0.00 0.00 173.24 174.67