#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 0.79 -0.30 1.61 0.01 -1.26 -5.05 113.70 109.50 2dna s SER 2 Ca 0.00 -0.85 -0.11 0.00 1.31 0.00 0.00 55.95 56.31 2dna s SER 2 Cb 0.00 0.86 0.21 0.00 0.21 0.00 0.00 66.02 67.30 2dna s SER 2 CO 0.00 -0.32 1.17 -0.55 0.41 0.00 0.00 173.24 173.95 2dna s SER 3 N 2.13 -0.04 -1.44 2.44 0.15 -1.26 -5.06 113.70 110.63 2dna s SER 3 Ca 0.12 -0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.63 2dna s SER 3 Cb -0.13 0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.28 2dna s SER 3 CO -0.22 -0.00 2.41 0.61 1.20 0.00 0.00 173.24 177.24 2dna n GLY 4 N 2.79 4.63 0.00 9.45 0.00 -1.26 -4.42 105.19 116.38 2dna n GLY 4 Ca 0.09 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 3.85 0.00 -4.56 1.61 2.88 -1.26 -5.08 113.62 111.06 2dna n SER 5 Ca 0.60 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.95 2dna n SER 5 Cb 0.30 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.70 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 4.35 -0.61 -3.46 0.01 -1.26 -4.81 113.70 107.92 2dna s SER 6 Ca 0.00 -0.19 0.06 0.00 1.31 0.00 0.00 55.95 57.12 2dna s SER 6 Cb 0.00 -2.55 0.21 0.00 0.21 0.00 0.00 66.02 63.88 2dna s SER 6 CO 0.00 -3.45 0.57 0.61 0.41 0.00 0.00 173.24 171.38 2dna n GLY 7 N 6.81 3.92 2.44 3.44 0.00 -1.26 -4.98 105.19 115.55 2dna n GLY 7 Ca 0.44 -2.36 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 1.61 2.65 -3.19 1.61 -0.04 -1.26 -4.50 135.00 131.88 2dna n PRO 8 Ca 0.25 -1.67 -0.12 0.00 -0.04 0.00 0.00 63.50 61.93 2dna n PRO 8 Cb 0.41 -2.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.30 2dna n PRO 8 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dna s SER 9 N 2.80 0.04 -0.16 3.54 0.01 -1.26 -5.11 113.70 113.55 2dna s SER 9 Ca 0.52 -1.70 -0.06 0.00 1.31 0.00 0.00 55.95 56.02 2dna s SER 9 Cb 0.15 1.00 0.07 0.00 0.21 0.00 0.00 66.02 67.45 2dna s SER 9 CO -0.04 -0.18 0.34 -2.28 0.41 0.00 0.00 173.24 171.49 2dna s HIS 10 N 1.15 -0.57 0.04 2.43 5.04 -1.26 -5.15 115.29 116.96 2dna s HIS 10 Ca 0.22 1.19 0.04 0.00 -1.54 0.00 0.00 55.06 54.98 2dna s HIS 10 Cb -0.06 0.14 -0.02 0.00 0.04 0.00 0.00 32.58 32.68 2dna s HIS 10 CO -0.07 -0.38 -0.12 -1.12 -2.34 0.00 0.00 174.74 170.71 2dna s SER 11 N 2.17 1.46 -0.10 9.88 0.01 -1.26 -4.99 113.70 120.87 2dna s SER 11 Ca -0.03 -0.44 -0.07 0.00 1.31 0.00 0.00 55.95 56.72 2dna s SER 11 Cb -0.11 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.06 2dna s SER 11 CO -0.11 0.00 0.14 0.18 0.41 0.00 0.00 173.24 173.87 2dna n LEU 12 N 1.92 -5.71 -4.80 2.44 4.77 -1.26 -4.96 117.00 109.40 2dna n LEU 12 Ca -0.18 2.17 -0.38 0.00 -0.03 0.00 0.00 56.01 57.58 2dna n LEU 12 Cb 0.55 -2.97 -0.06 0.00 -2.33 0.00 0.00 43.42 38.62 2dna n LEU 12 CO 0.23 -3.17 0.24 -1.58 -1.33 0.00 0.00 177.39 171.77 2dna s GLN 13 N -0.75 4.19 0.74 3.23 2.00 -1.26 -5.03 119.66 122.78 2dna s GLN 13 Ca -0.17 0.65 -0.17 0.00 -2.00 0.00 0.00 55.36 53.67 2dna s GLN 13 Cb 0.01 -3.28 -0.13 0.00 0.80 0.00 0.00 33.01 30.41 2dna s GLN 13 CO 0.45 0.54 -0.33 0.00 -0.50 0.00 0.00 175.29 175.45 2dna n ALA 14 N 2.16 -3.90 -0.41 1.58 0.00 -1.26 -4.75 120.51 113.93 2dna n ALA 14 Ca -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2dna n ALA 14 Cb 0.51 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2dna n ALA 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dna n PRO 15 N 1.62 0.00 -0.31 0.00 -0.04 -1.26 -1.78 135.00 133.22 2dna n PRO 15 Ca 0.04 0.29 0.25 0.00 -0.04 0.00 0.00 63.50 64.05 2dna n PRO 15 Cb 0.51 -0.92 0.48 0.00 -0.04 0.00 0.00 33.50 33.52 2dna n PRO 15 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dna n GLU 16 N -1.38 -0.06 0.07 0.54 -0.00 -1.26 0.17 120.64 118.72 2dna n GLU 16 Ca 0.00 1.34 -0.13 0.00 -0.00 0.00 0.00 57.16 58.37 2dna n GLU 16 Cb 0.00 -2.32 -0.08 0.00 -0.00 0.00 0.00 31.44 29.04 2dna n GLU 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2dna h VAL 17 N 0.00 0.99 0.39 3.84 2.07 -1.94 -0.79 116.25 120.81 2dna h VAL 17 Ca 0.74 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.91 2dna h VAL 17 Cb 1.85 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 2dna h VAL 17 CO -0.77 0.08 -0.38 -0.09 0.02 0.00 0.00 177.57 176.43 2dna h ARG 18 N -0.29 -0.76 -2.25 1.57 2.43 0.26 -2.96 114.38 112.37 2dna h ARG 18 Ca -0.01 0.05 -0.77 0.00 -0.81 0.00 0.00 59.98 58.43 2dna h ARG 18 Cb 0.24 0.17 -0.24 0.00 -0.42 0.00 0.00 29.97 29.73 2dna h ARG 18 CO 0.02 -0.51 1.25 1.19 -1.51 0.00 0.00 179.97 180.41 2dna n PHE 19 N -5.48 2.71 -0.09 2.20 3.72 0.77 -4.59 117.46 116.70 2dna n PHE 19 Ca -0.10 -2.53 -0.12 0.00 -0.05 0.00 0.00 57.45 54.65 2dna n PHE 19 Cb 0.38 -1.32 -0.06 0.00 -0.94 0.00 0.00 39.48 37.55 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 3.99 0.00 -1.46 4.37 4.64 -0.96 -3.15 113.55 120.97 2dna h SER 20 Ca 0.57 -0.22 0.48 0.00 -0.47 0.00 0.00 61.79 62.14 2dna h SER 20 Cb 0.28 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.25 2dna h SER 20 CO 1.26 1.08 0.97 0.11 -0.87 0.00 0.00 176.83 179.38 2dna h LYS 21 N -1.00 0.03 0.31 4.77 1.57 -1.83 0.34 116.57 120.77 2dna h LYS 21 Ca -0.16 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2dna h LYS 21 Cb 0.86 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2dna h LYS 21 CO -0.09 0.02 -0.15 0.93 -0.57 0.00 0.00 179.45 179.59 2dna h GLU 22 N 0.03 -0.40 -1.00 3.15 3.07 -1.92 -2.90 114.58 114.62 2dna h GLU 22 Ca 0.86 0.03 0.37 0.00 -0.50 0.00 0.00 59.36 60.12 2dna h GLU 22 Cb 2.89 0.09 -0.17 0.00 -0.84 0.00 0.00 28.75 30.73 2dna h GLU 22 CO -0.36 -0.26 0.51 0.52 -1.40 0.00 0.00 179.01 178.02 2dna h MET 23 N -1.11 0.14 -0.48 2.33 2.86 -0.38 1.35 114.93 119.63 2dna h MET 23 Ca -0.04 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 2dna h MET 23 Cb 0.33 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2dna h MET 23 CO 0.07 0.09 0.11 0.93 1.06 0.00 0.00 176.91 179.17 2dna h GLU 24 N 0.14 0.78 -0.19 1.72 5.08 -1.05 -0.68 114.58 120.38 2dna h GLU 24 Ca 0.78 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.91 2dna h GLU 24 Cb 1.92 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 2dna h GLU 24 CO -0.71 0.77 -0.04 0.00 -1.00 0.00 0.00 179.01 178.04 2dna h LEU 26 N 0.08 -0.99 -0.25 0.00 3.38 0.45 -1.29 115.31 116.70 2dna h LEU 26 Ca 0.05 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.23 2dna h LEU 26 Cb 0.47 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 2dna h LEU 26 CO 0.02 -0.33 -0.41 1.56 0.09 0.00 0.00 178.44 179.36 2dna h GLN 27 N -0.33 -0.40 -0.81 1.13 1.08 -1.04 0.06 115.11 114.79 2dna h GLN 27 Ca 0.13 0.03 0.17 0.00 -1.45 0.00 0.00 58.65 57.52 2dna h GLN 27 Cb 0.53 0.09 -0.15 0.00 -0.05 0.00 0.00 27.48 27.89 2dna h GLN 27 CO -0.42 -0.26 -0.19 0.00 -0.95 0.00 0.00 178.83 177.01 2dna h ALA 28 N 0.28 0.57 -0.60 3.87 0.00 -0.86 1.42 119.26 123.94 2dna h ALA 28 Ca 0.10 0.31 0.07 0.00 0.00 0.00 0.00 54.91 55.40 2dna h ALA 28 Cb 0.60 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2dna h ALA 28 CO -0.47 -0.41 0.40 0.52 0.00 0.00 0.00 179.25 179.30 2dna h MET 29 N 0.01 0.53 0.00 0.00 2.86 0.06 -3.45 114.93 114.94 2dna h MET 29 Ca 0.40 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 2dna h MET 29 Cb 0.62 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2dna h MET 29 CO -0.83 0.35 0.00 0.41 1.06 0.00 0.00 176.91 177.90 2dna n GLY 30 N -1.49 1.06 3.41 8.32 0.00 0.49 -5.05 105.19 111.94 2dna n GLY 30 Ca 0.09 0.00 -0.34 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 1.79 0.17 1.61 3.72 -0.53 -4.59 117.46 119.63 2dna n PHE 31 Ca 0.00 -1.25 0.03 0.00 -0.05 0.00 0.00 57.45 56.18 2dna n PHE 31 Cb 0.00 -2.05 0.27 0.00 -0.94 0.00 0.00 39.48 36.76 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 5.52 1.14 -0.34 -4.37 -1.51 -1.83 -3.21 116.25 111.65 2dna h VAL 32 Ca 0.26 -1.74 -0.17 0.00 -1.23 0.00 0.00 66.70 63.82 2dna h VAL 32 Cb 0.82 2.00 -0.04 0.00 -2.13 0.00 0.00 31.29 31.94 2dna h VAL 32 CO 1.55 0.46 0.81 0.59 -1.23 0.00 0.00 177.57 179.76 2dna n ASN 33 N -3.69 0.85 0.11 4.19 4.13 -1.26 -4.74 115.26 114.85 2dna n ASN 33 Ca -0.01 -1.07 -0.05 0.00 1.68 0.00 0.00 54.58 55.14 2dna n ASN 33 Cb 0.54 -1.30 -0.02 0.00 -1.54 0.00 0.00 39.78 37.46 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 12.80 -0.30 -0.98 3.10 3.20 -1.98 0.15 116.97 132.95 2dna h TYR 34 Ca -0.01 -0.01 0.34 0.00 3.14 0.00 0.00 58.73 62.19 2dna h TYR 34 Cb 1.07 0.10 -0.17 0.00 1.54 0.00 0.00 36.73 39.28 2dna h TYR 34 CO 1.21 -0.18 0.43 -0.91 -1.64 0.00 0.00 178.16 177.06 2dna h ASN 35 N -0.62 0.21 0.21 -2.11 4.21 -1.99 0.74 115.58 116.23 2dna h ASN 35 Ca -0.03 0.23 -0.01 0.00 1.21 0.00 0.00 56.30 57.70 2dna h ASN 35 Cb 0.25 0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 2dna h ASN 35 CO 0.05 -0.30 -0.10 0.00 -1.29 0.00 0.00 177.43 175.79 2dna h ALA 36 N 1.92 -0.63 -0.94 -0.83 0.00 -1.94 -2.70 119.26 114.16 2dna h ALA 36 Ca 0.74 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.68 2dna h ALA 36 Cb 1.77 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.54 2dna h ALA 36 CO -0.73 -0.61 -0.54 -0.91 0.00 0.00 0.00 179.25 176.46 2dna h ASN 37 N -0.46 -1.99 -0.36 0.00 2.35 0.10 0.75 115.58 115.97 2dna h ASN 37 Ca -0.03 0.32 0.03 0.00 -0.55 0.00 0.00 56.30 56.07 2dna h ASN 37 Cb 0.22 0.90 -0.04 0.00 0.05 0.00 0.00 38.32 39.44 2dna h ASN 37 CO 0.05 -0.26 -0.22 0.25 -1.65 0.00 0.00 177.43 175.60 2dna h LEU 38 N -0.04 -0.79 -0.85 1.61 6.46 0.32 0.85 115.31 122.87 2dna h LEU 38 Ca 0.19 0.12 0.21 0.00 -0.12 0.00 0.00 57.88 58.28 2dna h LEU 38 Cb 0.46 0.35 -0.15 0.00 -0.73 0.00 0.00 40.66 40.59 2dna h LEU 38 CO -0.91 -0.09 0.07 1.56 -0.62 0.00 0.00 178.44 178.45 2dna h GLN 39 N -0.00 0.10 0.42 1.25 4.20 -0.66 0.21 115.11 120.63 2dna h GLN 39 Ca 0.06 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2dna h GLN 39 Cb 0.15 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2dna h GLN 39 CO -0.34 0.07 -0.30 0.00 -0.67 0.00 0.00 178.83 177.59 2dna h ALA 40 N 1.80 -0.72 -0.23 3.87 0.00 0.22 0.19 119.26 124.40 2dna h ALA 40 Ca 0.50 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.31 2dna h ALA 40 Cb 0.95 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 2dna h ALA 40 CO -0.74 -0.92 -0.42 -0.07 0.00 0.00 0.00 179.25 177.10 2dna h LEU 41 N -0.71 -1.37 -0.88 0.00 3.38 0.34 0.44 115.31 116.51 2dna h LEU 41 Ca -0.04 0.17 0.21 0.00 0.09 0.00 0.00 57.88 58.31 2dna h LEU 41 Cb 0.60 0.55 -0.12 0.00 0.09 0.00 0.00 40.66 41.79 2dna h LEU 41 CO 0.02 -0.33 0.38 0.40 0.09 0.00 0.00 178.44 179.00 2dna h ILE 42 N -0.35 0.50 -0.14 1.22 2.04 -0.78 1.82 117.51 121.82 2dna h ILE 42 Ca 0.04 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2dna h ILE 42 Cb 0.47 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2dna h ILE 42 CO -0.40 0.08 0.08 0.00 0.00 0.00 0.00 178.15 177.90 2dna h ALA 43 N 1.69 1.88 -0.42 1.87 0.00 0.26 0.16 119.26 124.70 2dna h ALA 43 Ca 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2dna h ALA 43 Cb 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2dna h ALA 43 CO -0.51 0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.10 2dna n THR 44 N -4.51 1.82 -4.23 0.00 -2.24 0.49 -4.96 114.28 100.65 2dna n THR 44 Ca -0.01 -1.41 -0.37 0.00 -2.27 0.00 0.00 64.05 59.99 2dna n THR 44 Cb 0.09 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.97 -1.86 3.42 -0.08 0.50 -3.33 116.55 114.56 2dna n ASP 45 Ca 0.20 -1.29 -0.01 0.00 -1.51 0.00 0.00 54.79 52.18 2dna n ASP 45 Cb 0.78 -1.62 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 -2.40 -1.79 3.39 0.27 0.00 -0.32 -4.97 105.19 99.37 2dna n GLY 46 Ca -0.25 0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.06 -1.26 -0.03 1.61 2.15 -1.21 -5.06 116.67 111.80 2dna s ASP 47 Ca 0.04 1.21 -0.16 0.00 0.43 0.00 0.00 52.55 54.07 2dna s ASP 47 Cb -0.01 2.23 -0.09 0.00 -0.30 0.00 0.00 42.92 44.75 2dna s ASP 47 CO 0.21 -0.24 0.68 0.71 -0.17 0.00 0.00 175.17 176.36 2dna h THR 48 N 6.00 0.00 -0.27 1.71 1.35 -1.96 -0.40 112.91 119.34 2dna h THR 48 Ca -0.21 -0.56 0.03 0.00 -0.55 0.00 0.00 66.41 65.12 2dna h THR 48 Cb 1.13 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.52 2dna h THR 48 CO 0.18 0.00 -0.18 -1.13 -0.25 0.00 0.00 175.52 174.14 2dna h ASN 49 N -1.15 -0.66 -0.25 5.36 -1.24 -1.98 1.49 115.58 117.14 2dna h ASN 49 Ca -0.06 0.10 0.06 0.00 0.71 0.00 0.00 56.30 57.11 2dna h ASN 49 Cb 0.45 0.29 -0.07 0.00 0.73 0.00 0.00 38.32 39.72 2dna h ASN 49 CO 0.10 -0.09 -0.25 0.00 -1.29 0.00 0.00 177.43 175.90 2dna h ALA 50 N -0.62 -0.13 -0.54 1.57 0.00 -1.99 0.29 119.26 117.84 2dna h ALA 50 Ca 0.04 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2dna h ALA 50 Cb 0.15 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 2dna h ALA 50 CO -0.27 -0.67 -0.33 0.00 0.00 0.00 0.00 179.25 177.98 2dna h ALA 51 N 0.79 -0.07 0.47 0.00 0.00 0.82 0.25 119.26 121.53 2dna h ALA 51 Ca 0.14 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2dna h ALA 51 Cb 0.47 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2dna h ALA 51 CO -0.40 -0.68 -0.40 0.82 0.00 0.00 0.00 179.25 178.59 2dna h ILE 52 N -0.18 0.00 -1.00 0.00 2.04 0.33 0.13 117.51 118.83 2dna h ILE 52 Ca 0.22 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.30 2dna h ILE 52 Cb 0.54 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.44 2dna h ILE 52 CO -0.64 0.00 -0.16 0.22 0.00 0.00 0.00 178.15 177.57 2dna h TYR 53 N -0.85 -0.37 0.95 1.37 3.20 0.45 0.76 116.97 122.47 2dna h TYR 53 Ca -0.06 0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 2dna h TYR 53 Cb 0.72 0.32 0.01 0.00 1.54 0.00 0.00 36.73 39.32 2dna h TYR 53 CO -0.17 -0.43 -0.46 0.87 -1.64 0.00 0.00 178.16 176.33 2dna h LYS 54 N 0.00 -1.23 -0.19 1.82 1.57 -0.08 0.02 116.57 118.49 2dna h LYS 54 Ca 0.52 0.08 0.03 0.00 -1.87 0.00 0.00 60.65 59.41 2dna h LYS 54 Cb 0.90 0.28 -0.05 0.00 0.08 0.00 0.00 32.23 33.44 2dna h LYS 54 CO -1.00 -0.82 -0.39 -0.07 -0.57 0.00 0.00 179.45 176.61 2dna h LEU 55 N -1.33 -1.26 -0.64 2.94 3.38 0.20 0.83 115.31 119.43 2dna h LEU 55 Ca -0.13 0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.06 2dna h LEU 55 Cb 0.98 0.50 -0.09 0.00 0.09 0.00 0.00 40.66 42.15 2dna h LEU 55 CO 0.21 -0.31 -0.49 0.11 0.09 0.00 0.00 178.44 178.05 2dna h LYS 56 N -0.35 -0.14 -0.13 1.13 1.79 0.38 0.62 116.57 119.87 2dna h LYS 56 Ca 0.04 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.55 2dna h LYS 56 Cb 0.45 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.06 2dna h LYS 56 CO -0.36 -0.09 -0.48 1.03 -1.08 0.00 0.00 179.45 178.47 2dna h SER 57 N -0.14 -1.50 -0.32 0.86 0.87 -0.17 -2.40 113.55 110.75 2dna h SER 57 Ca 0.11 0.19 0.04 0.00 -1.23 0.00 0.00 61.79 60.89 2dna h SER 57 Cb 0.42 0.60 -0.07 0.00 -0.44 0.00 0.00 62.40 62.91 2dna h SER 57 CO -0.68 -0.46 -0.46 0.28 -0.53 0.00 0.00 176.83 174.98 2dna h SER 58 N -0.54 -1.54 -2.08 6.23 0.02 0.24 -3.44 113.55 112.45 2dna h SER 58 Ca 0.06 0.20 0.17 0.00 -0.84 0.00 0.00 61.79 61.38 2dna h SER 58 Cb 0.66 0.63 -0.30 0.00 0.14 0.00 0.00 62.40 63.53 2dna h SER 58 CO -0.42 -0.34 0.56 -1.58 -1.14 0.00 0.00 176.83 173.91 2dna s GLN 59 N -5.19 0.19 0.00 3.45 0.74 0.20 -5.08 119.66 113.97 2dna s GLN 59 Ca -0.12 0.35 0.00 0.00 0.05 0.00 0.00 55.36 55.64 2dna s GLN 59 Cb 0.07 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.24 2dna s GLN 59 CO 0.51 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.61 2dna n GLY 60 N 3.53 1.27 3.71 2.59 0.00 -1.21 -4.38 105.19 110.70 2dna n GLY 60 Ca -0.17 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 2dna n GLY 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dna s PHE 61 N -1.25 2.62 0.42 1.61 -0.12 -1.26 -5.05 117.98 114.96 2dna s PHE 61 Ca 0.00 -0.49 0.00 0.00 -0.05 0.00 0.00 56.93 56.39 2dna s PHE 61 Cb 0.00 -1.76 0.00 0.00 -0.63 0.00 0.00 43.02 40.63 2dna s PHE 61 CO 0.00 0.30 0.00 0.43 -0.05 0.00 0.00 175.22 175.90 2dna n SER 62 N -1.14 -6.86 0.00 1.98 7.64 -1.26 -5.03 113.62 108.95 2dna n SER 62 Ca -0.02 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2dna n SER 62 Cb 0.63 -4.15 0.00 0.00 -1.01 0.00 0.00 64.21 59.68 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 -3.91 3.63 3.58 0.23 0.00 -1.26 -4.95 105.19 102.50 2dna n GLY 63 Ca -0.04 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.27 3.23 -0.05 1.61 0.04 -1.26 -4.83 135.00 130.47 2dna s PRO 64 Ca 0.00 -1.42 -0.29 0.00 0.04 0.00 0.00 61.00 59.33 2dna s PRO 64 Cb 0.00 -5.36 0.09 0.00 0.04 0.00 0.00 34.50 29.27 2dna s PRO 64 CO 0.00 -3.03 0.80 -1.12 0.04 0.00 0.00 177.00 173.68 2dna s SER 65 N 5.55 -0.52 0.64 6.66 0.01 -1.26 -5.16 113.70 119.62 2dna s SER 65 Ca 0.60 0.42 -0.14 0.00 1.31 0.00 0.00 55.95 58.14 2dna s SER 65 Cb 0.01 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 2dna s SER 65 CO 0.07 -0.58 1.06 -0.55 0.41 0.00 0.00 173.24 173.65 2dna s SER 66 N -1.57 5.55 0.00 2.44 0.15 -1.26 -5.10 113.70 113.90 2dna s SER 66 Ca -0.04 1.75 0.00 0.00 0.70 0.00 0.00 55.95 58.36 2dna s SER 66 Cb -0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2dna s SER 66 CO 0.01 -1.33 0.00 0.61 1.20 0.00 0.00 173.24 173.74