#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnx n SER 2 N 0.00 -0.33 0.00 1.61 2.88 -1.26 -4.94 113.62 111.58 2dnx n SER 2 Ca 0.00 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 2dnx n SER 2 Cb 0.00 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2dnx n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dnx n SER 3 N -3.46 0.00 -2.76 -3.46 7.64 -1.26 -4.04 113.62 106.28 2dnx n SER 3 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2dnx n SER 3 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2dnx n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dnx s GLY 4 N 0.00 -1.65 -0.23 0.23 0.00 -1.26 -5.07 107.32 99.34 2dnx s GLY 4 Ca 0.00 0.63 -0.06 0.00 0.00 0.00 0.00 44.72 45.30 2dnx s GLY 4 CO 0.00 4.16 0.11 1.44 0.00 0.00 0.00 173.10 178.81 2dnx n SER 5 N 3.16 -4.08 -3.53 1.64 7.64 -1.26 -5.01 113.62 112.18 2dnx n SER 5 Ca 0.10 1.26 -0.27 0.00 1.01 0.00 0.00 58.87 60.97 2dnx n SER 5 Cb 0.62 -4.89 -0.11 0.00 -1.01 0.00 0.00 64.21 58.83 2dnx n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dnx s SER 6 N -1.06 2.42 -1.31 6.43 0.01 -1.26 -5.02 113.70 113.92 2dnx s SER 6 Ca -0.13 -3.18 -0.08 0.00 1.31 0.00 0.00 55.95 53.87 2dnx s SER 6 Cb 0.01 -0.75 0.14 0.00 0.21 0.00 0.00 66.02 65.63 2dnx s SER 6 CO 0.72 -0.16 2.09 0.61 0.41 0.00 0.00 173.24 176.90 2dnx n GLY 7 N 2.74 4.90 3.21 3.44 0.00 -1.26 -4.90 105.19 113.32 2dnx n GLY 7 Ca 0.25 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 2dnx n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dnx s GLN 8 N -0.01 1.01 0.11 1.61 -0.21 -1.26 -4.97 119.66 115.93 2dnx s GLN 8 Ca 0.45 -1.37 0.00 0.00 0.02 0.00 0.00 55.36 54.46 2dnx s GLN 8 Cb 0.13 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.42 2dnx s GLN 8 CO -0.03 -0.32 0.00 -0.11 -2.12 0.00 0.00 175.29 172.71 2dnx n LEU 9 N -0.14 -6.28 -3.48 2.90 0.00 -1.26 -4.66 117.00 104.09 2dnx n LEU 9 Ca -0.06 2.98 -0.31 0.00 0.00 0.00 0.00 56.01 58.62 2dnx n LEU 9 Cb 0.64 -3.15 0.03 0.00 0.00 0.00 0.00 43.42 40.93 2dnx n LEU 9 CO 0.29 -2.32 -0.21 0.54 0.00 0.00 0.00 177.39 175.69 2dnx n ARG 10 N 1.82 -1.89 -4.11 1.96 1.74 -1.26 -4.94 116.66 109.99 2dnx n ARG 10 Ca 0.00 1.37 -0.35 0.00 -0.77 0.00 0.00 57.85 58.11 2dnx n ARG 10 Cb 0.00 -2.65 -0.10 0.00 -1.02 0.00 0.00 32.46 28.69 2dnx n ARG 10 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dnx s ASP 11 N -1.97 5.49 0.19 0.55 1.11 -1.26 -4.96 116.67 115.81 2dnx s ASP 11 Ca 0.28 0.08 -0.21 0.00 0.18 0.00 0.00 52.55 52.87 2dnx s ASP 11 Cb -0.03 -1.88 0.10 0.00 1.07 0.00 0.00 42.92 42.18 2dnx s ASP 11 CO 0.86 0.21 1.42 0.33 1.18 0.00 0.00 175.17 179.18 2dnx n PHE 12 N 3.28 -0.15 -0.16 4.23 -0.00 -1.26 0.20 117.46 123.60 2dnx n PHE 12 Ca -0.17 1.14 0.01 0.00 -0.00 0.00 0.00 57.45 58.43 2dnx n PHE 12 Cb 0.53 -0.73 0.27 0.00 -0.00 0.00 0.00 39.48 39.55 2dnx n PHE 12 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2dnx h SER 13 N 0.00 0.77 0.03 -2.13 0.87 -1.97 1.39 113.55 112.52 2dnx h SER 13 Ca 0.25 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 2dnx h SER 13 Cb 0.48 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2dnx h SER 13 CO -0.89 0.59 -0.35 0.28 -0.53 0.00 0.00 176.83 175.92 2dnx h SER 14 N 0.90 0.46 0.38 6.23 0.02 0.19 0.71 113.55 122.43 2dnx h SER 14 Ca 0.24 -0.18 -0.32 0.00 -0.84 0.00 0.00 61.79 60.68 2dnx h SER 14 Cb -0.05 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 62.39 2dnx h SER 14 CO -0.05 0.78 -1.45 0.40 -1.14 0.00 0.00 176.83 175.37 2dnx h ILE 15 N 0.38 1.30 0.04 3.27 2.04 0.32 -3.08 117.51 121.77 2dnx h ILE 15 Ca 0.04 -2.79 -0.00 0.00 1.00 0.00 0.00 64.86 63.11 2dnx h ILE 15 Cb 0.80 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 2dnx h ILE 15 CO 0.06 0.84 -0.02 0.40 0.00 0.00 0.00 178.15 179.44 2dnx h ILE 16 N 0.12 0.00 -0.94 -0.67 2.04 0.20 0.68 117.51 118.94 2dnx h ILE 16 Ca -0.23 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 65.74 2dnx h ILE 16 Cb 2.10 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 38.05 2dnx h ILE 16 CO 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 178.15 177.93 2dnx n GLN 17 N -2.15 -0.31 -0.17 2.37 1.13 0.23 1.00 117.38 119.48 2dnx n GLN 17 Ca -0.01 1.43 -0.02 0.00 -1.94 0.00 0.00 57.00 56.46 2dnx n GLN 17 Cb 0.02 -2.11 0.07 0.00 0.11 0.00 0.00 30.24 28.33 2dnx n GLN 17 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2dnx h THR 18 N 0.00 0.72 -0.33 5.09 2.02 -1.58 -0.61 112.91 118.22 2dnx h THR 18 Ca 0.24 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.39 2dnx h THR 18 Cb 0.48 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 2dnx h THR 18 CO -0.91 0.05 0.01 0.00 0.37 0.00 0.00 175.52 175.04 2dnx h SER 20 N 0.11 -0.25 0.62 0.00 0.87 0.13 -1.29 113.55 113.73 2dnx h SER 20 Ca 0.16 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 2dnx h SER 20 Cb 0.21 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2dnx h SER 20 CO -0.25 -0.13 -0.39 1.23 -0.53 0.00 0.00 176.83 176.75 2dnx h GLY 21 N 0.14 -1.05 -0.88 5.77 0.00 -0.36 -1.72 103.07 104.97 2dnx h GLY 21 Ca 0.38 0.44 0.09 0.00 0.00 0.00 0.00 47.33 48.24 2dnx h GLY 21 CO -0.59 -0.37 -0.56 3.43 0.00 0.00 0.00 176.54 178.46 2dnx h ASN 22 N -0.96 -2.01 -0.24 0.19 2.35 -0.23 0.10 115.58 114.78 2dnx h ASN 22 Ca -0.08 0.31 0.03 0.00 -0.55 0.00 0.00 56.30 56.02 2dnx h ASN 22 Cb 0.78 0.89 -0.06 0.00 0.05 0.00 0.00 38.32 39.98 2dnx h ASN 22 CO 0.07 -0.27 -0.46 0.40 -1.65 0.00 0.00 177.43 175.52 2dnx h ILE 23 N -0.08 0.00 -0.83 2.81 2.04 -1.14 0.38 117.51 120.69 2dnx h ILE 23 Ca 0.17 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.10 2dnx h ILE 23 Cb 0.47 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.45 2dnx h ILE 23 CO -0.88 0.00 -0.52 1.56 0.00 0.00 0.00 178.15 178.32 2dnx h GLN 24 N -0.40 -0.03 -0.14 2.37 1.08 0.02 0.11 115.11 118.14 2dnx h GLN 24 Ca 0.05 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2dnx h GLN 24 Cb 0.52 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 2dnx h GLN 24 CO -0.44 -0.02 -0.33 0.00 -0.95 0.00 0.00 178.83 177.09 2dnx h ARG 25 N -0.03 -0.39 -0.95 1.46 -0.00 -0.06 0.54 114.38 114.95 2dnx h ARG 25 Ca 0.13 0.03 0.14 0.00 -0.50 0.00 0.00 59.98 59.78 2dnx h ARG 25 Cb 0.37 0.09 -0.15 0.00 0.00 0.00 0.00 29.97 30.28 2dnx h ARG 25 CO -0.80 -0.26 -0.42 0.82 0.00 0.00 0.00 179.97 179.31 2dnx h ILE 26 N -0.41 0.01 -0.52 2.04 2.04 0.21 0.88 117.51 121.78 2dnx h ILE 26 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 2dnx h ILE 26 Cb 0.56 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2dnx h ILE 26 CO -0.36 0.00 0.14 0.77 0.00 0.00 0.00 178.15 178.70 2dnx h SER 27 N -0.02 0.77 0.15 1.72 4.64 -0.01 -1.60 113.55 119.19 2dnx h SER 27 Ca 0.31 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2dnx h SER 27 Cb 0.57 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2dnx h SER 27 CO -0.95 0.79 -0.22 1.56 -0.87 0.00 0.00 176.83 177.14 2dnx h GLN 28 N 0.71 -0.37 -0.99 4.77 4.20 0.57 0.92 115.11 124.93 2dnx h GLN 28 Ca 0.16 0.02 0.24 0.00 0.06 0.00 0.00 58.65 59.14 2dnx h GLN 28 Cb 0.31 0.08 -0.12 0.00 0.30 0.00 0.00 27.48 28.05 2dnx h GLN 28 CO -0.00 -0.24 0.57 0.00 -0.67 0.00 0.00 178.83 178.48 2dnx h ALA 29 N -1.29 1.73 0.00 3.87 0.00 0.26 1.58 119.26 125.42 2dnx h ALA 29 Ca -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2dnx h ALA 29 Cb 0.35 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dnx h ALA 29 CO -0.06 -0.27 -0.05 1.15 0.00 0.00 0.00 179.25 180.02 2dnx h THR 30 N 0.56 0.74 0.18 0.00 2.02 -0.40 -1.04 112.91 114.98 2dnx h THR 30 Ca 0.63 -0.18 -0.31 0.00 0.77 0.00 0.00 66.41 67.33 2dnx h THR 30 Cb 1.19 1.10 0.02 0.00 -1.74 0.00 0.00 68.15 68.72 2dnx h THR 30 CO -0.48 0.05 -1.40 0.00 0.37 0.00 0.00 175.52 174.06 2dnx h ALA 31 N 1.95 0.03 -0.69 6.16 0.00 0.47 -3.02 119.26 124.15 2dnx h ALA 31 Ca -0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 54.91 53.97 2dnx h ALA 31 Cb 0.10 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2dnx h ALA 31 CO 0.01 0.90 0.35 1.96 0.00 0.00 0.00 179.25 182.46 2dnx h GLN 32 N 0.10 0.98 -0.29 0.00 4.20 0.17 0.59 115.11 120.86 2dnx h GLN 32 Ca -0.20 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.34 2dnx h GLN 32 Cb 2.06 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.64 2dnx h GLN 32 CO 0.22 0.74 0.01 0.82 -0.67 0.00 0.00 178.83 179.96 2dnx h ILE 33 N 0.98 1.25 -0.14 2.54 2.04 -1.31 1.44 117.51 124.31 2dnx h ILE 33 Ca 0.24 -0.91 -0.10 0.00 1.00 0.00 0.00 64.86 65.10 2dnx h ILE 33 Cb 0.08 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2dnx h ILE 33 CO -0.03 0.29 -0.34 0.11 0.00 0.00 0.00 178.15 178.18 2dnx h LYS 34 N 0.30 0.28 0.02 2.37 1.57 -1.29 0.92 116.57 120.74 2dnx h LYS 34 Ca 0.08 -0.12 -0.25 0.00 -1.87 0.00 0.00 60.65 58.50 2dnx h LYS 34 Cb 0.41 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.73 2dnx h LYS 34 CO 0.01 0.59 -0.99 -0.97 -0.57 0.00 0.00 179.45 177.52 2dnx h ASN 35 N 0.24 0.83 1.29 0.86 -1.24 0.53 -3.07 115.58 115.02 2dnx h ASN 35 Ca 0.03 -0.76 0.00 0.00 0.71 0.00 0.00 56.30 56.28 2dnx h ASN 35 Cb 0.72 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.52 2dnx h ASN 35 CO 0.05 1.49 0.00 0.18 -1.29 0.00 0.00 177.43 177.87 2dnx n LEU 36 N -3.92 0.58 0.22 0.34 4.77 0.49 -3.63 117.00 115.85 2dnx n LEU 36 Ca -0.11 0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 56.34 2dnx n LEU 36 Cb 0.86 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2dnx n LEU 36 CO 0.55 -0.16 0.49 -0.03 -1.33 0.00 0.00 177.39 176.90 2dnx h MET 37 N 0.00 -0.54 -0.64 3.23 4.05 0.98 -2.60 114.93 119.41 2dnx h MET 37 Ca 0.00 0.04 0.15 0.00 -0.28 0.00 0.00 59.70 59.61 2dnx h MET 37 Cb 0.64 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 2dnx h MET 37 CO 0.00 -0.36 0.44 0.77 0.23 0.00 0.00 176.91 177.99 2dnx h SER 38 N -0.59 0.18 -0.90 1.39 0.02 -1.67 0.15 113.55 112.12 2dnx h SER 38 Ca -0.06 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.00 2dnx h SER 38 Cb 0.43 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 2dnx h SER 38 CO 0.09 0.09 0.58 1.56 -1.14 0.00 0.00 176.83 178.02 2dnx h GLN 39 N 0.19 0.86 -0.05 3.45 4.20 -1.57 0.39 115.11 122.58 2dnx h GLN 39 Ca 0.31 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.98 2dnx h GLN 39 Cb 0.95 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 2dnx h GLN 39 CO -0.05 0.57 0.24 -0.07 -0.67 0.00 0.00 178.83 178.85 2dnx h LEU 40 N 0.89 0.00 -8.17 1.46 3.38 -0.32 -3.35 115.31 109.20 2dnx h LEU 40 Ca 0.42 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.09 2dnx h LEU 40 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2dnx h LEU 40 CO -0.19 0.00 0.83 -0.83 0.09 0.00 0.00 178.44 178.34 2dnx s GLY 41 N -3.89 0.20 0.23 0.83 0.00 0.14 -4.85 107.32 99.97 2dnx s GLY 41 Ca -0.04 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.05 2dnx s GLY 41 CO 0.36 3.49 0.21 -1.30 0.00 0.00 0.00 173.10 175.86 2dnx n THR 42 N 7.84 0.00 -2.12 0.90 -2.24 -1.26 -5.06 114.28 112.34 2dnx n THR 42 Ca 0.41 -1.58 -0.30 0.00 -2.27 0.00 0.00 64.05 60.31 2dnx n THR 42 Cb 0.47 0.81 0.02 0.00 -2.10 0.00 0.00 70.33 69.53 2dnx n THR 42 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2dnx n LYS 43 N -0.42 3.23 0.00 -0.78 -0.00 -1.26 -4.84 118.16 114.09 2dnx n LYS 43 Ca 0.05 -4.07 0.00 0.00 -0.00 0.00 0.00 58.31 54.29 2dnx n LYS 43 Cb 0.41 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.17 2dnx n LYS 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2dnx n GLN 44 N -0.59 0.00 0.07 -1.58 6.02 -1.26 -5.12 117.38 114.92 2dnx n GLN 44 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 2dnx n GLN 44 Cb 0.63 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.89 2dnx n GLN 44 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2dnx n ASP 45 N 0.00 -1.21 -2.15 1.08 -0.08 -1.26 -5.03 116.55 107.90 2dnx n ASP 45 Ca 0.00 0.33 -0.01 0.00 -1.51 0.00 0.00 54.79 53.60 2dnx n ASP 45 Cb 0.00 1.37 0.00 0.00 2.34 0.00 0.00 41.12 44.84 2dnx n ASP 45 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2dnx n SER 46 N -2.64 -5.11 -0.00 1.67 7.64 -1.26 -4.94 113.62 108.98 2dnx n SER 46 Ca 0.00 0.59 -0.12 0.00 1.01 0.00 0.00 58.87 60.34 2dnx n SER 46 Cb 0.00 -3.26 -0.10 0.00 -1.01 0.00 0.00 64.21 59.85 2dnx n SER 46 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dnx h SER 47 N 1.39 -0.07 -1.02 6.43 0.87 -2.01 -3.20 113.55 115.95 2dnx h SER 47 Ca 0.00 -0.56 0.41 0.00 -1.23 0.00 0.00 61.79 60.41 2dnx h SER 47 Cb 0.18 0.02 -0.17 0.00 -0.44 0.00 0.00 62.40 61.98 2dnx h SER 47 CO 0.07 0.58 0.56 0.50 -0.53 0.00 0.00 176.83 178.01 2dnx h LYS 48 N -0.78 0.04 0.00 2.24 1.63 -1.98 0.53 116.57 118.25 2dnx h LYS 48 Ca -0.01 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2dnx h LYS 48 Cb 0.62 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2dnx h LYS 48 CO 0.01 0.03 0.00 1.28 -3.45 0.00 0.00 179.45 177.32 2dnx n LEU 49 N -5.21 0.00 -0.30 5.20 7.99 -1.21 0.62 117.00 124.10 2dnx n LEU 49 Ca 0.37 0.90 0.03 0.00 -0.01 0.00 0.00 56.01 57.31 2dnx n LEU 49 Cb 1.26 -0.40 0.10 0.00 -0.11 0.00 0.00 43.42 44.27 2dnx n LEU 49 CO 0.03 -0.40 0.68 1.56 -1.51 0.00 0.00 177.39 177.75 2dnx h GLN 50 N 0.00 -0.01 -0.75 3.23 4.20 -1.04 1.49 115.11 122.24 2dnx h GLN 50 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 2dnx h GLN 50 Cb 0.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 2dnx h GLN 50 CO 0.00 -0.00 0.49 0.93 -0.67 0.00 0.00 178.83 179.58 2dnx h GLU 51 N -0.01 0.57 -0.27 1.46 4.39 -0.82 0.24 114.58 120.15 2dnx h GLU 51 Ca 0.40 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.96 2dnx h GLU 51 Cb 0.62 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2dnx h GLU 51 CO -0.87 0.38 -0.27 -0.97 -1.16 0.00 0.00 179.01 176.11 2dnx h ASN 52 N 0.59 0.53 0.69 1.42 -0.73 0.77 -1.50 115.58 117.35 2dnx h ASN 52 Ca 0.35 -0.19 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 2dnx h ASN 52 Cb 0.58 -0.15 0.01 0.00 0.27 0.00 0.00 38.32 39.03 2dnx h ASN 52 CO -0.13 0.79 -0.33 -0.07 -0.37 0.00 0.00 177.43 177.32 2dnx h LEU 53 N 0.46 -0.78 -0.30 0.34 3.38 0.12 -1.88 115.31 116.65 2dnx h LEU 53 Ca 0.06 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2dnx h LEU 53 Cb 0.71 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 2dnx h LEU 53 CO 0.05 -0.40 -0.46 1.56 0.09 0.00 0.00 178.44 179.28 2dnx h GLN 54 N -1.24 -0.40 -0.84 1.13 1.08 -1.09 1.60 115.11 115.35 2dnx h GLN 54 Ca -0.09 0.03 0.20 0.00 -1.45 0.00 0.00 58.65 57.34 2dnx h GLN 54 Cb 0.71 0.09 -0.13 0.00 -0.05 0.00 0.00 27.48 28.10 2dnx h GLN 54 CO 0.16 -0.27 0.25 1.96 -0.95 0.00 0.00 178.83 179.97 2dnx h GLN 55 N -0.42 0.26 -0.17 1.46 1.08 -1.33 1.18 115.11 117.18 2dnx h GLN 55 Ca 0.10 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.20 2dnx h GLN 55 Cb 0.61 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2dnx h GLN 55 CO -0.52 0.17 -0.21 -0.07 -0.95 0.00 0.00 178.83 177.26 2dnx h LEU 56 N 0.27 0.48 0.47 1.46 3.38 0.02 -1.20 115.31 120.19 2dnx h LEU 56 Ca 0.51 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2dnx h LEU 56 Cb 0.96 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2dnx h LEU 56 CO -0.58 0.88 -0.35 1.56 0.09 0.00 0.00 178.44 180.04 2dnx h GLN 57 N 0.08 -0.78 -0.08 1.13 4.20 0.52 -2.15 115.11 118.03 2dnx h GLN 57 Ca 0.02 0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.83 2dnx h GLN 57 Cb 0.76 0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.67 2dnx h GLN 57 CO 0.05 -0.52 -0.24 1.25 -0.67 0.00 0.00 178.83 178.70 2dnx h HIS 58 N -0.81 -0.63 -0.97 2.96 2.76 0.12 -0.73 115.15 117.85 2dnx h HIS 58 Ca -0.05 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.24 2dnx h HIS 58 Cb 0.69 0.29 -0.12 0.00 1.55 0.00 0.00 27.41 29.82 2dnx h HIS 58 CO -0.15 -0.32 -0.54 0.45 -1.30 0.00 0.00 177.93 176.07 2dnx n SER 59 N -5.36 -0.97 -0.17 3.26 2.88 -0.45 0.64 113.62 113.45 2dnx n SER 59 Ca -0.03 1.71 -0.03 0.00 -1.33 0.00 0.00 58.87 59.19 2dnx n SER 59 Cb 0.28 -0.25 0.06 0.00 -0.75 0.00 0.00 64.21 63.55 2dnx n SER 59 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2dnx h THR 60 N 0.00 0.89 -0.80 2.46 2.02 -0.86 -1.92 112.91 114.71 2dnx h THR 60 Ca 0.18 -0.15 0.11 0.00 0.77 0.00 0.00 66.41 67.32 2dnx h THR 60 Cb 0.42 0.41 -0.13 0.00 -1.74 0.00 0.00 68.15 67.12 2dnx h THR 60 CO -0.91 0.08 -0.45 -1.13 0.37 0.00 0.00 175.52 173.48 2dnx h ASN 61 N 0.44 -1.60 0.62 4.18 -1.24 0.17 0.51 115.58 118.65 2dnx h ASN 61 Ca 0.24 0.28 -0.03 0.00 0.71 0.00 0.00 56.30 57.51 2dnx h ASN 61 Cb 0.20 0.76 -0.00 0.00 0.73 0.00 0.00 38.32 40.01 2dnx h ASN 61 CO -0.20 -0.30 -0.38 1.56 -1.29 0.00 0.00 177.43 176.82 2dnx h GLN 62 N -0.10 -0.90 -0.94 6.67 1.08 -0.68 -1.42 115.11 118.81 2dnx h GLN 62 Ca 0.23 0.06 0.13 0.00 -1.45 0.00 0.00 58.65 57.62 2dnx h GLN 62 Cb 0.54 0.21 -0.14 0.00 -0.05 0.00 0.00 27.48 28.04 2dnx h GLN 62 CO -0.84 -0.60 -0.43 1.28 -0.95 0.00 0.00 178.83 177.29 2dnx n LEU 63 N -4.81 -0.74 -0.12 1.46 4.77 -0.56 0.98 117.00 117.99 2dnx n LEU 63 Ca -0.11 1.66 -0.07 0.00 -0.03 0.00 0.00 56.01 57.46 2dnx n LEU 63 Cb 0.39 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2dnx n LEU 63 CO 0.27 -1.44 0.67 0.00 -1.33 0.00 0.00 177.39 175.55 2dnx h ALA 64 N 1.02 -0.09 -0.55 -1.18 0.00 0.16 0.41 119.26 119.03 2dnx h ALA 64 Ca 0.27 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.40 2dnx h ALA 64 Cb 0.50 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 2dnx h ALA 64 CO -0.92 -0.67 -0.19 0.87 0.00 0.00 0.00 179.25 178.34 2dnx h LYS 65 N -0.22 -0.06 -0.52 0.00 1.57 0.17 0.17 116.57 117.69 2dnx h LYS 65 Ca 0.18 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2dnx h LYS 65 Cb 0.51 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 2dnx h LYS 65 CO -0.52 -0.04 0.30 0.93 -0.57 0.00 0.00 179.45 179.55 2dnx h GLU 66 N -0.06 0.58 -0.37 3.15 5.08 0.13 -2.45 114.58 120.65 2dnx h GLU 66 Ca 0.26 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.66 2dnx h GLU 66 Cb 0.46 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 2dnx h GLU 66 CO -0.60 0.38 -0.19 1.15 -1.00 0.00 0.00 179.01 178.75 2dnx h THR 67 N 0.60 0.44 0.11 1.13 2.02 0.25 0.44 112.91 117.89 2dnx h THR 67 Ca 0.21 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.40 2dnx h THR 67 Cb 0.04 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 2dnx h THR 67 CO -0.10 0.00 -0.46 -1.13 0.37 0.00 0.00 175.52 174.20 2dnx h ASN 68 N -0.13 -1.38 -0.16 4.18 -0.73 -0.65 0.81 115.58 117.51 2dnx h ASN 68 Ca 0.18 0.14 0.05 0.00 1.87 0.00 0.00 56.30 58.54 2dnx h ASN 68 Cb 0.42 0.51 -0.07 0.00 0.27 0.00 0.00 38.32 39.45 2dnx h ASN 68 CO -0.45 -0.48 -0.42 -0.33 -0.37 0.00 0.00 177.43 175.38 2dnx h GLU 69 N -0.65 -0.45 -0.84 6.67 5.08 -0.97 0.48 114.58 123.89 2dnx h GLU 69 Ca -0.01 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 2dnx h GLU 69 Cb 0.66 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.90 2dnx h GLU 69 CO -0.25 -0.30 0.38 -0.07 -1.00 0.00 0.00 179.01 177.77 2dnx h LEU 70 N -0.47 0.37 -1.74 1.33 3.38 0.29 1.63 115.31 120.11 2dnx h LEU 70 Ca 0.08 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2dnx h LEU 70 Cb 0.62 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2dnx h LEU 70 CO -0.42 0.10 -0.02 -0.07 0.09 0.00 0.00 178.44 178.13 2dnx h LEU 71 N 0.49 0.00 0.00 1.67 3.38 0.29 -0.23 115.31 120.91 2dnx h LEU 71 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2dnx h LEU 71 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2dnx h LEU 71 CO -0.44 0.02 -0.21 0.11 0.09 0.00 0.00 178.44 178.01 2dnx h LYS 72 N 0.00 0.00 0.08 1.13 1.57 0.69 -3.30 116.57 116.74 2dnx h LYS 72 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 2dnx h LYS 72 Cb 0.43 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2dnx h LYS 72 CO 0.00 0.00 -2.10 0.39 -0.57 0.00 0.00 179.45 177.17 2dnx n GLU 73 N -2.47 0.72 0.00 3.15 -0.58 -0.15 -3.66 120.64 117.66 2dnx n GLU 73 Ca 0.04 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 2dnx n GLU 73 Cb 0.47 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 2dnx n GLU 73 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2dnx n LEU 74 N -3.49 0.00 -0.19 -4.62 4.77 -0.29 -0.51 117.00 112.67 2dnx n LEU 74 Ca -0.36 0.91 0.24 0.00 -0.03 0.00 0.00 56.01 56.77 2dnx n LEU 74 Cb 1.01 -0.41 0.64 0.00 -2.33 0.00 0.00 43.42 42.33 2dnx n LEU 74 CO 0.36 -0.41 1.24 1.23 -1.33 0.00 0.00 177.39 178.48 2dnx h GLY 75 N 0.00 0.34 0.87 -0.72 0.00 -1.79 0.21 103.07 101.96 2dnx h GLY 75 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.29 2dnx h GLY 75 CO 0.00 -0.01 0.45 0.23 0.00 0.00 0.00 176.54 177.22 2dnx h SER 76 N 0.15 0.74 -2.60 0.19 0.87 -1.02 -3.43 113.55 108.45 2dnx h SER 76 Ca 0.43 -0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 60.42 2dnx h SER 76 Cb 1.44 -0.16 0.20 0.00 -0.44 0.00 0.00 62.40 63.44 2dnx h SER 76 CO -0.07 0.51 -0.95 0.18 -0.53 0.00 0.00 176.83 175.97 2dnx n LEU 77 N -4.65 -2.05 -4.79 2.23 4.77 0.72 -4.94 117.00 108.29 2dnx n LEU 77 Ca 0.08 0.51 -0.29 0.00 -0.03 0.00 0.00 56.01 56.28 2dnx n LEU 77 Cb 0.09 -1.01 0.13 0.00 -2.33 0.00 0.00 43.42 40.30 2dnx n LEU 77 CO 0.33 -4.28 0.71 -2.16 -1.33 0.00 0.00 177.39 170.67 2dnx s PRO 78 N -2.12 1.29 0.03 3.23 0.04 -1.26 -5.04 135.00 131.18 2dnx s PRO 78 Ca 0.57 0.35 -0.00 0.00 0.04 0.00 0.00 61.00 61.95 2dnx s PRO 78 Cb -0.35 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2dnx s PRO 78 CO 0.66 -2.10 0.15 -0.51 0.04 0.00 0.00 177.00 175.24 2dnx s LEU 79 N -5.99 4.15 0.70 -3.56 1.43 -1.26 -5.10 118.68 109.05 2dnx s LEU 79 Ca 0.63 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.83 2dnx s LEU 79 Cb -0.15 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.46 2dnx s LEU 79 CO 0.53 0.22 1.06 -2.16 0.23 0.00 0.00 176.35 176.23 2dnx s PRO 80 N -2.16 2.90 0.42 1.29 0.04 -1.26 -4.94 135.00 131.28 2dnx s PRO 80 Ca 0.29 0.94 0.14 0.00 0.04 0.00 0.00 61.00 62.41 2dnx s PRO 80 Cb -0.13 -1.99 0.89 0.00 0.04 0.00 0.00 34.50 33.31 2dnx s PRO 80 CO 0.21 -1.13 1.92 -0.07 0.04 0.00 0.00 177.00 177.98 2dnx h LEU 81 N -0.74 0.00 -9.94 -3.56 -0.00 -2.02 -3.43 115.31 95.62 2dnx h LEU 81 Ca -0.44 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 56.92 2dnx h LEU 81 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.84 2dnx h LEU 81 CO 0.57 0.26 0.00 -0.44 -0.00 0.00 0.00 178.44 178.83 2dnx s SER 82 N -6.97 6.78 -0.04 -0.43 0.01 -1.26 -5.00 113.70 106.79 2dnx s SER 82 Ca -0.03 1.16 -0.14 0.00 1.31 0.00 0.00 55.95 58.24 2dnx s SER 82 Cb 0.15 -2.32 -0.32 0.00 0.21 0.00 0.00 66.02 63.75 2dnx s SER 82 CO 0.71 -0.07 0.76 0.74 0.41 0.00 0.00 173.24 175.78 2dnx h THR 83 N 2.26 1.09 -1.38 1.44 2.02 -2.00 -3.13 112.91 113.22 2dnx h THR 83 Ca -0.48 -2.54 0.40 0.00 0.77 0.00 0.00 66.41 64.56 2dnx h THR 83 Cb 1.18 2.87 -0.06 0.00 -1.74 0.00 0.00 68.15 70.41 2dnx h THR 83 CO 0.67 0.81 1.01 0.28 0.37 0.00 0.00 175.52 178.65 2dnx h SER 84 N 0.00 0.00 0.27 4.18 0.02 -1.97 0.93 113.55 116.99 2dnx h SER 84 Ca -0.30 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.31 2dnx h SER 84 Cb 2.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.56 2dnx h SER 84 CO 0.18 0.00 -1.74 -0.33 -1.14 0.00 0.00 176.83 173.80 2dnx h GLU 85 N 0.00 0.30 -0.33 3.45 4.39 -1.96 -3.18 114.58 117.25 2dnx h GLU 85 Ca 0.66 -0.51 0.07 0.00 0.34 0.00 0.00 59.36 59.92 2dnx h GLU 85 Cb 2.66 0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 31.43 2dnx h GLU 85 CO -0.01 1.18 -0.18 1.96 -1.16 0.00 0.00 179.01 180.81 2dnx h GLN 86 N 0.08 -0.12 0.29 2.33 4.20 0.91 0.63 115.11 123.43 2dnx h GLN 86 Ca -0.33 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 2dnx h GLN 86 Cb 2.06 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.87 2dnx h GLN 86 CO 0.15 -0.08 -0.14 0.00 -0.67 0.00 0.00 178.83 178.09 2dnx h ARG 87 N -0.13 -0.38 -0.65 1.46 -0.00 -1.40 0.39 114.38 113.67 2dnx h ARG 87 Ca 0.17 0.03 0.17 0.00 -0.50 0.00 0.00 59.98 59.84 2dnx h ARG 87 Cb 0.39 0.09 -0.03 0.00 0.00 0.00 0.00 29.97 30.41 2dnx h ARG 87 CO -0.41 -0.19 0.46 1.96 0.00 0.00 0.00 179.97 181.79 2dnx h GLN 88 N -0.48 0.13 0.09 0.04 1.08 -1.39 0.82 115.11 115.39 2dnx h GLN 88 Ca -0.04 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2dnx h GLN 88 Cb 0.36 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2dnx h GLN 88 CO 0.07 0.09 -0.04 1.96 -0.95 0.00 0.00 178.83 179.95 2dnx h GLN 89 N 0.13 -0.12 -0.89 1.46 4.20 0.87 -1.90 115.11 118.86 2dnx h GLN 89 Ca 0.32 0.01 0.19 0.00 0.06 0.00 0.00 58.65 59.23 2dnx h GLN 89 Cb 1.06 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.80 2dnx h GLN 89 CO -0.04 -0.08 0.59 0.07 -0.67 0.00 0.00 178.83 178.70 2dnx h ARG 90 N -0.29 0.44 0.03 1.46 0.11 -0.66 0.40 114.38 115.87 2dnx h ARG 90 Ca -0.01 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.04 2dnx h ARG 90 Cb 0.09 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2dnx h ARG 90 CO 0.02 0.29 -0.02 -0.07 0.10 0.00 0.00 179.97 180.29 2dnx h LEU 91 N 0.45 -0.04 -0.24 0.08 3.38 0.58 0.28 115.31 119.80 2dnx h LEU 91 Ca 0.46 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.39 2dnx h LEU 91 Cb 1.09 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 2dnx h LEU 91 CO -0.18 0.08 -0.21 1.56 0.09 0.00 0.00 178.44 179.78 2dnx h GLN 92 N -0.16 -0.20 0.16 1.13 1.08 -0.09 -0.37 115.11 116.66 2dnx h GLN 92 Ca -0.00 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2dnx h GLN 92 Cb 0.14 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2dnx h GLN 92 CO 0.01 -0.14 -0.11 -0.22 -0.95 0.00 0.00 178.83 177.42 2dnx h LYS 93 N -0.21 -0.26 -1.00 1.46 3.64 -1.19 0.14 116.57 119.15 2dnx h LYS 93 Ca 0.14 0.02 0.32 0.00 -1.27 0.00 0.00 60.65 59.85 2dnx h LYS 93 Cb 0.42 0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 32.15 2dnx h LYS 93 CO -0.36 -0.17 0.55 0.93 -2.27 0.00 0.00 179.45 178.13 2dnx h GLU 94 N -0.27 0.31 -0.11 1.90 4.39 0.30 0.91 114.58 122.02 2dnx h GLU 94 Ca -0.01 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.44 2dnx h GLU 94 Cb 0.23 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2dnx h GLU 94 CO 0.01 0.20 -0.82 -0.09 -1.16 0.00 0.00 179.01 177.15 2dnx h ARG 95 N 0.32 0.70 -1.00 2.33 2.43 -0.29 -2.47 114.38 116.40 2dnx h ARG 95 Ca 0.73 -0.61 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 2dnx h ARG 95 Cb 1.65 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 31.28 2dnx h ARG 95 CO -0.61 1.22 0.65 -0.07 -1.51 0.00 0.00 179.97 179.65 2dnx h LEU 96 N 0.46 1.08 0.44 3.80 3.38 0.27 0.33 115.31 125.07 2dnx h LEU 96 Ca -0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2dnx h LEU 96 Cb 1.45 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2dnx h LEU 96 CO 0.16 0.72 -0.21 0.24 0.09 0.00 0.00 178.44 179.45 2dnx h MET 97 N 1.24 -0.57 0.41 1.13 2.86 -0.57 0.46 114.93 119.89 2dnx h MET 97 Ca 0.41 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 58.08 2dnx h MET 97 Cb 0.05 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2dnx h MET 97 CO -0.14 -0.26 -0.46 -0.91 1.06 0.00 0.00 176.91 176.20 2dnx h ASN 98 N -0.91 -1.27 -0.71 1.22 2.35 -1.18 0.70 115.58 115.78 2dnx h ASN 98 Ca -0.06 0.11 0.16 0.00 -0.55 0.00 0.00 56.30 55.95 2dnx h ASN 98 Cb 0.57 0.43 -0.12 0.00 0.05 0.00 0.00 38.32 39.25 2dnx h ASN 98 CO 0.10 -0.59 0.01 0.44 -1.65 0.00 0.00 177.43 175.74 2dnx h ASP 99 N -0.88 -0.30 -0.85 5.81 3.32 -0.43 0.45 116.42 123.53 2dnx h ASP 99 Ca -0.05 0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.18 2dnx h ASP 99 Cb 0.77 0.31 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 2dnx h ASP 99 CO -0.08 -0.15 0.56 0.15 -1.72 0.00 0.00 179.24 178.01 2dnx h PHE 100 N 0.12 1.08 0.57 4.55 3.57 -0.18 -1.53 116.94 125.12 2dnx h PHE 100 Ca 0.38 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.88 2dnx h PHE 100 Cb 0.65 -0.36 0.01 0.00 2.79 0.00 0.00 35.95 39.03 2dnx h PHE 100 CO -0.39 0.68 -0.27 1.03 -2.23 0.00 0.00 178.31 177.12 2dnx h SER 101 N 1.16 -0.65 -1.03 0.41 0.87 0.45 0.67 113.55 115.43 2dnx h SER 101 Ca 0.31 -0.03 0.28 0.00 -1.23 0.00 0.00 61.79 61.12 2dnx h SER 101 Cb -0.13 0.17 -0.12 0.00 -0.44 0.00 0.00 62.40 61.87 2dnx h SER 101 CO -0.07 -0.36 0.62 0.00 -0.53 0.00 0.00 176.83 176.50 2dnx h ALA 102 N -0.57 1.99 -0.05 6.23 0.00 -0.21 0.94 119.26 127.59 2dnx h ALA 102 Ca -0.08 0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 2dnx h ALA 102 Cb 0.64 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.50 2dnx h ALA 102 CO 0.13 -0.49 -0.93 0.00 0.00 0.00 0.00 179.25 177.96 2dnx h ALA 103 N 1.72 0.25 0.75 0.00 0.00 -0.92 -2.97 119.26 118.09 2dnx h ALA 103 Ca 0.66 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2dnx h ALA 103 Cb 1.47 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.28 2dnx h ALA 103 CO -0.46 0.71 -0.36 1.25 0.00 0.00 0.00 179.25 180.39 2dnx h LEU 104 N 0.41 -0.86 -0.96 0.00 5.85 0.67 -2.52 115.31 117.90 2dnx h LEU 104 Ca -0.09 0.03 0.28 0.00 0.84 0.00 0.00 57.88 58.93 2dnx h LEU 104 Cb 1.57 0.22 -0.17 0.00 0.37 0.00 0.00 40.66 42.65 2dnx h LEU 104 CO 0.18 -0.59 0.12 -1.13 -0.34 0.00 0.00 178.44 176.68 2dnx h ASN 105 N -1.06 -0.31 -0.04 1.25 -0.73 0.29 0.49 115.58 115.46 2dnx h ASN 105 Ca -0.10 0.26 0.03 0.00 1.87 0.00 0.00 56.30 58.36 2dnx h ASN 105 Cb 0.78 0.42 -0.06 0.00 0.27 0.00 0.00 38.32 39.73 2dnx h ASN 105 CO 0.17 -0.33 -0.50 -1.13 -0.37 0.00 0.00 177.43 175.27 2dnx h ASN 106 N 0.04 -1.57 -0.52 1.15 -0.73 -1.32 0.35 115.58 112.98 2dnx h ASN 106 Ca 0.61 0.18 0.10 0.00 1.87 0.00 0.00 56.30 59.07 2dnx h ASN 106 Cb 1.31 0.61 -0.09 0.00 0.27 0.00 0.00 38.32 40.42 2dnx h ASN 106 CO -0.86 -0.50 -0.02 0.15 -0.37 0.00 0.00 177.43 175.84 2dnx h PHE 107 N -0.62 -0.07 0.31 0.67 3.57 0.34 0.68 116.94 121.82 2dnx h PHE 107 Ca 0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2dnx h PHE 107 Cb 0.70 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 2dnx h PHE 107 CO -0.51 -0.14 -0.40 1.96 -2.23 0.00 0.00 178.31 176.99 2dnx h GLN 108 N 0.10 -0.73 -0.05 1.11 4.20 -0.09 1.35 115.11 120.99 2dnx h GLN 108 Ca 0.27 0.05 0.02 0.00 0.06 0.00 0.00 58.65 59.04 2dnx h GLN 108 Cb 0.41 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2dnx h GLN 108 CO -0.46 -0.49 0.23 0.00 -0.67 0.00 0.00 178.83 177.45 2dnx h ALA 109 N -0.34 1.36 0.01 3.87 0.00 0.34 0.67 119.26 125.18 2dnx h ALA 109 Ca -0.02 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 2dnx h ALA 109 Cb 0.70 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2dnx h ALA 109 CO -0.12 -0.26 -1.66 0.28 0.00 0.00 0.00 179.25 177.50 2dnx h VAL 110 N 0.00 0.92 -0.21 0.00 2.07 0.16 -2.97 116.25 116.23 2dnx h VAL 110 Ca 0.03 -2.75 -0.14 0.00 0.82 0.00 0.00 66.70 64.66 2dnx h VAL 110 Cb 0.49 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2dnx h VAL 110 CO -0.00 0.57 -0.45 0.06 0.02 0.00 0.00 177.57 177.77 2dnx h GLN 111 N 0.01 0.52 0.02 1.57 3.07 0.74 0.43 115.11 121.47 2dnx h GLN 111 Ca -0.27 -0.28 -0.20 0.00 0.09 0.00 0.00 58.65 57.99 2dnx h GLN 111 Cb 1.99 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 29.55 2dnx h GLN 111 CO 0.09 0.86 -0.93 0.07 0.09 0.00 0.00 178.83 179.01 2dnx h ARG 112 N 0.42 0.12 -0.00 0.06 -0.00 -1.04 -2.82 114.38 111.12 2dnx h ARG 112 Ca 0.03 -0.16 -0.17 0.00 -0.00 0.00 0.00 59.98 59.68 2dnx h ARG 112 Cb 0.95 0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 30.95 2dnx h ARG 112 CO 0.08 0.96 -0.79 0.00 -0.00 0.00 0.00 179.97 180.23 2dnx h ARG 113 N 0.06 0.07 0.16 0.08 3.08 -1.35 -3.00 114.38 113.47 2dnx h ARG 113 Ca -0.04 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2dnx h ARG 113 Cb 1.60 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.67 2dnx h ARG 113 CO 0.14 0.82 -0.07 0.28 -1.07 0.00 0.00 179.97 180.06 2dnx h VAL 114 N 0.04 0.98 -0.05 2.04 2.07 -0.89 -2.61 116.25 117.83 2dnx h VAL 114 Ca -0.02 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.80 2dnx h VAL 114 Cb 1.39 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.53 2dnx h VAL 114 CO 0.11 0.17 -0.48 0.28 0.02 0.00 0.00 177.57 177.67 2dnx h SER 115 N -0.56 -1.50 -0.90 0.57 0.02 -1.55 0.02 113.55 109.65 2dnx h SER 115 Ca -0.02 0.17 0.24 0.00 -0.84 0.00 0.00 61.79 61.34 2dnx h SER 115 Cb 0.43 0.58 -0.16 0.00 0.14 0.00 0.00 62.40 63.39 2dnx h SER 115 CO 0.03 -0.45 0.08 -0.33 -1.14 0.00 0.00 176.83 175.02 2dnx h GLU 116 N -0.57 0.08 0.51 3.45 5.08 -1.57 1.08 114.58 122.64 2dnx h GLU 116 Ca 0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2dnx h GLU 116 Cb 0.63 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2dnx h GLU 116 CO -0.35 0.05 -0.39 -0.22 -1.00 0.00 0.00 179.01 177.10 2dnx h LYS 117 N 0.08 -0.83 0.00 2.33 1.63 -0.70 0.22 116.57 119.29 2dnx h LYS 117 Ca 0.54 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.40 2dnx h LYS 117 Cb 1.08 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 2dnx h LYS 117 CO -0.79 -0.56 0.00 0.39 -3.45 0.00 0.00 179.45 175.05 2dnx n GLU 118 N -4.81 0.13 -0.02 1.90 -0.58 0.07 -1.62 120.64 115.71 2dnx n GLU 118 Ca -0.10 0.61 -0.12 0.00 -0.42 0.00 0.00 57.16 57.13 2dnx n GLU 118 Cb 0.38 -1.91 -0.10 0.00 -0.57 0.00 0.00 31.44 29.24 2dnx n GLU 118 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2dnx h LYS 119 N 0.00 -0.06 -0.20 3.49 3.64 0.29 -3.19 116.57 120.53 2dnx h LYS 119 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2dnx h LYS 119 Cb 0.02 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2dnx h LYS 119 CO 0.00 0.58 -0.04 0.93 -2.27 0.00 0.00 179.45 178.64 2dnx h GLU 120 N -0.81 0.31 -0.10 1.90 5.08 -0.06 -2.86 114.58 118.04 2dnx h GLU 120 Ca -0.01 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2dnx h GLU 120 Cb 0.66 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 2dnx h GLU 120 CO 0.01 0.37 -0.33 1.03 -1.00 0.00 0.00 179.01 179.09 2dnx h SER 121 N 0.30 -1.02 -0.69 1.42 0.87 -1.41 -1.58 113.55 111.43 2dnx h SER 121 Ca 0.07 0.14 0.12 0.00 -1.23 0.00 0.00 61.79 60.89 2dnx h SER 121 Cb 0.27 0.43 -0.12 0.00 -0.44 0.00 0.00 62.40 62.54 2dnx h SER 121 CO 0.01 -0.37 -0.35 0.40 -0.53 0.00 0.00 176.83 175.98 2dnx h ILE 122 N -0.43 0.13 -0.27 2.23 2.04 -1.49 -1.05 117.51 118.67 2dnx h ILE 122 Ca 0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 2dnx h ILE 122 Cb 0.56 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 2dnx h ILE 122 CO -0.34 0.00 -0.23 0.00 0.00 0.00 0.00 178.15 177.58 2dnx h ALA 123 N 1.07 -0.38 -0.95 1.87 0.00 -1.35 -3.41 119.26 116.11 2dnx h ALA 123 Ca 0.26 0.02 -0.73 0.00 0.00 0.00 0.00 54.91 54.46 2dnx h ALA 123 Cb 0.56 1.00 0.06 0.00 0.00 0.00 0.00 17.79 19.41 2dnx h ALA 123 CO -0.75 -0.52 -0.06 -2.13 0.00 0.00 0.00 179.25 175.79 2dnx n ARG 124 N -3.85 0.00 -3.10 0.00 3.00 -0.40 -4.87 116.66 107.44 2dnx n ARG 124 Ca -0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.45 2dnx n ARG 124 Cb 0.13 -1.33 -0.05 0.00 0.00 0.00 0.00 32.46 31.21 2dnx n ARG 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dnx s SER 125 N -0.20 7.06 -0.22 6.15 0.15 -1.26 -4.98 113.70 120.40 2dnx s SER 125 Ca 0.81 1.26 -0.28 0.00 0.70 0.00 0.00 55.95 58.44 2dnx s SER 125 Cb -1.14 -2.41 -0.05 0.00 -1.71 0.00 0.00 66.02 60.72 2dnx s SER 125 CO 0.54 0.03 2.12 -0.83 1.20 0.00 0.00 173.24 176.30 2dnx s GLY 126 N 0.03 0.64 -1.20 9.45 0.00 -1.26 -4.84 107.32 110.14 2dnx s GLY 126 Ca 0.35 0.73 -0.09 0.00 0.00 0.00 0.00 44.72 45.71 2dnx s GLY 126 CO 0.19 3.68 2.41 -1.55 0.00 0.00 0.00 173.10 177.83 2dnx n PRO 127 N 8.59 2.68 -0.35 2.90 -0.04 -1.26 -4.71 135.00 142.81 2dnx n PRO 127 Ca 0.28 -1.85 -0.10 0.00 -0.04 0.00 0.00 63.50 61.79 2dnx n PRO 127 Cb 0.45 -2.68 -0.07 0.00 -0.04 0.00 0.00 33.50 31.16 2dnx n PRO 127 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dnx h SER 128 N 5.95 -1.94 -4.02 3.54 4.64 -2.03 -3.47 113.55 116.22 2dnx h SER 128 Ca 0.63 0.31 0.00 0.00 -0.47 0.00 0.00 61.79 62.26 2dnx h SER 128 Cb 0.28 0.87 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2dnx h SER 128 CO 1.65 -0.28 -0.81 -1.20 -0.87 0.00 0.00 176.83 175.32 2dnx n SER 129 N -5.32 -7.60 0.00 4.97 7.64 -1.26 -5.30 113.62 106.74 2dnx n SER 129 Ca 0.02 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2dnx n SER 129 Cb 0.30 -4.15 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 2dnx n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64