#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 -6.55 -4.34 1.61 7.64 -1.26 -4.35 113.62 106.37 2dnx n SER 2 Ca 0.00 0.84 -0.44 0.00 1.01 0.00 0.00 58.87 60.28 2dnx n SER 2 Cb 0.00 -4.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.21 2dnx n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dnx n SER 3 N -4.24 5.45 0.00 6.43 7.64 -1.26 -4.49 113.62 123.16 2dnx n SER 3 Ca -0.04 -3.05 0.00 0.00 1.01 0.00 0.00 58.87 56.80 2dnx n SER 3 Cb 0.62 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 2dnx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnx n GLY 4 N 3.12 -0.20 3.94 0.23 0.00 -1.26 -5.17 105.19 105.85 2dnx n GLY 4 Ca 0.30 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 2dnx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnx s SER 5 N 0.00 6.36 -1.08 1.61 0.01 -1.26 -5.02 113.70 114.32 2dnx s SER 5 Ca 0.00 0.26 -0.03 0.00 1.31 0.00 0.00 55.95 57.50 2dnx s SER 5 Cb 0.00 -1.95 0.25 0.00 0.21 0.00 0.00 66.02 64.53 2dnx s SER 5 CO 0.00 0.04 2.05 -1.20 0.41 0.00 0.00 173.24 174.54 2dnx n SER 6 N -0.46 7.56 -3.11 2.44 7.64 -1.26 -4.87 113.62 121.55 2dnx n SER 6 Ca -0.06 -3.52 -0.00 0.00 1.01 0.00 0.00 58.87 56.30 2dnx n SER 6 Cb 0.53 -1.22 -0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2dnx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnx n GLY 7 N 0.48 -0.69 2.91 0.23 0.00 -1.26 -5.00 105.19 101.86 2dnx n GLY 7 Ca 0.52 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 46.48 2dnx n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dnx s GLN 8 N -1.02 0.08 0.01 1.61 -2.07 -1.26 -5.13 119.66 111.88 2dnx s GLN 8 Ca -0.00 0.62 -0.01 0.00 -1.82 0.00 0.00 55.36 54.14 2dnx s GLN 8 Cb 0.00 -0.18 0.00 0.00 -1.09 0.00 0.00 33.01 31.75 2dnx s GLN 8 CO 0.12 -0.28 0.05 1.28 -1.32 0.00 0.00 175.29 175.14 2dnx n LEU 9 N 5.21 0.00 -2.61 2.60 4.77 -1.26 -4.96 117.00 120.76 2dnx n LEU 9 Ca -0.07 -0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.66 2dnx n LEU 9 Cb 0.50 0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.72 2dnx n LEU 9 CO 0.05 -0.02 0.03 -2.11 -1.33 0.00 0.00 177.39 174.02 2dnx n ARG 10 N -0.04 2.31 -3.49 3.23 1.85 -1.26 -4.73 116.66 114.53 2dnx n ARG 10 Ca -0.00 -3.92 -0.23 0.00 -1.00 0.00 0.00 57.85 52.70 2dnx n ARG 10 Cb 0.03 -1.78 -0.01 0.00 -1.05 0.00 0.00 32.46 29.65 2dnx n ARG 10 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2dnx s ASP 11 N -3.31 6.25 0.26 2.89 2.15 -1.26 -4.81 116.67 118.85 2dnx s ASP 11 Ca 0.38 0.32 0.02 0.00 0.43 0.00 0.00 52.55 53.70 2dnx s ASP 11 Cb 0.42 -1.92 0.64 0.00 -0.30 0.00 0.00 42.92 41.76 2dnx s ASP 11 CO -0.08 -0.28 1.32 0.33 -0.17 0.00 0.00 175.17 176.29 2dnx n PHE 12 N -1.72 0.54 0.05 -5.34 -0.00 -1.26 0.19 117.46 109.92 2dnx n PHE 12 Ca -0.05 1.02 -0.02 0.00 -0.00 0.00 0.00 57.45 58.40 2dnx n PHE 12 Cb 0.57 -1.13 -0.01 0.00 -0.00 0.00 0.00 39.48 38.90 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 -0.11 -0.94 -2.13 0.87 -1.98 0.64 113.55 109.91 2dnx h SER 13 Ca 0.51 0.00 0.29 0.00 -1.23 0.00 0.00 61.79 61.36 2dnx h SER 13 Cb 1.05 0.03 -0.17 0.00 -0.44 0.00 0.00 62.40 62.86 2dnx h SER 13 CO -0.79 -0.07 0.12 -1.20 -0.53 0.00 0.00 176.83 174.36 2dnx n SER 14 N -2.40 -0.02 0.13 6.23 7.64 -0.15 0.24 113.62 125.29 2dnx n SER 14 Ca -0.02 1.59 -0.05 0.00 1.01 0.00 0.00 58.87 61.40 2dnx n SER 14 Cb 0.05 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 62.60 2dnx n SER 14 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2dnx h ILE 15 N 0.00 0.00 -0.63 0.44 2.04 -0.19 -2.90 117.51 116.26 2dnx h ILE 15 Ca 0.62 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 66.40 2dnx h ILE 15 Cb 1.37 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 2dnx h ILE 15 CO -0.85 0.00 -0.37 -0.38 0.00 0.00 0.00 178.15 176.54 2dnx n ILE 16 N -3.31 -0.43 -0.32 -0.67 5.41 0.22 0.12 119.36 120.39 2dnx n ILE 16 Ca -0.04 1.93 0.09 0.00 1.00 0.00 0.00 62.75 65.72 2dnx n ILE 16 Cb 0.14 -2.42 0.19 0.00 -0.71 0.00 0.00 39.64 36.84 2dnx n ILE 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2dnx n GLN 17 N -4.47 -0.08 -0.15 0.38 6.02 0.14 0.19 117.38 119.42 2dnx n GLN 17 Ca 0.01 1.37 -0.09 0.00 -0.01 0.00 0.00 57.00 58.28 2dnx n GLN 17 Cb 0.17 -2.10 -0.01 0.00 1.02 0.00 0.00 30.24 29.32 2dnx n GLN 17 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2dnx h THR 18 N 0.00 1.23 0.25 5.09 2.02 0.12 -1.54 112.91 120.08 2dnx h THR 18 Ca 0.48 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2dnx h THR 18 Cb 0.86 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2dnx h THR 18 CO -0.88 0.28 -0.40 0.00 0.37 0.00 0.00 175.52 174.89 2dnx h SER 20 N -0.69 -1.71 -0.10 0.00 0.87 -0.69 0.32 113.55 111.56 2dnx h SER 20 Ca -0.03 0.24 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 2dnx h SER 20 Cb 0.64 0.72 -0.06 0.00 -0.44 0.00 0.00 62.40 63.25 2dnx h SER 20 CO -0.13 -0.39 -0.46 1.23 -0.53 0.00 0.00 176.83 176.55 2dnx h GLY 21 N -0.37 -0.83 -0.66 5.77 0.00 -0.94 -1.78 103.07 104.25 2dnx h GLY 21 Ca 0.10 0.57 0.10 0.00 0.00 0.00 0.00 47.33 48.09 2dnx h GLY 21 CO -0.59 -0.22 -0.46 3.43 0.00 0.00 0.00 176.54 178.69 2dnx h ASN 22 N -0.54 -1.61 -0.63 0.19 2.35 0.13 0.60 115.58 116.07 2dnx h ASN 22 Ca 0.06 0.27 0.06 0.00 -0.55 0.00 0.00 56.30 56.14 2dnx h ASN 22 Cb 0.66 0.74 -0.09 0.00 0.05 0.00 0.00 38.32 39.68 2dnx h ASN 22 CO -0.39 -0.31 -0.54 0.40 -1.65 0.00 0.00 177.43 174.93 2dnx h ILE 23 N -0.16 0.00 -0.60 2.81 2.04 -0.16 0.17 117.51 121.62 2dnx h ILE 23 Ca 0.20 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.12 2dnx h ILE 23 Cb 0.55 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.54 2dnx h ILE 23 CO -0.78 0.00 -0.45 1.56 0.00 0.00 0.00 178.15 178.48 2dnx h GLN 24 N -0.22 -0.12 -0.54 2.37 1.08 -0.16 0.10 115.11 117.63 2dnx h GLN 24 Ca 0.10 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.41 2dnx h GLN 24 Cb 0.49 0.03 -0.11 0.00 -0.05 0.00 0.00 27.48 27.84 2dnx h GLN 24 CO -0.71 -0.08 -0.31 0.00 -0.95 0.00 0.00 178.83 176.79 2dnx h ARG 25 N -0.12 -0.16 -0.53 1.46 -0.00 -0.12 1.16 114.38 116.06 2dnx h ARG 25 Ca 0.10 0.01 0.09 0.00 -0.50 0.00 0.00 59.98 59.68 2dnx h ARG 25 Cb 0.38 0.04 -0.11 0.00 0.00 0.00 0.00 29.97 30.28 2dnx h ARG 25 CO -0.63 -0.11 -0.35 0.82 0.00 0.00 0.00 179.97 179.70 2dnx h ILE 26 N -0.17 0.17 -0.19 2.04 2.04 0.16 0.99 117.51 122.55 2dnx h ILE 26 Ca 0.22 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.02 2dnx h ILE 26 Cb 0.54 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2dnx h ILE 26 CO -0.63 0.00 -0.15 -1.28 0.00 0.00 0.00 178.15 176.09 2dnx h SER 27 N -0.20 0.30 0.14 1.72 0.87 0.11 -0.99 113.55 115.50 2dnx h SER 27 Ca 0.21 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2dnx h SER 27 Cb 0.55 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2dnx h SER 27 CO -0.64 0.47 -0.07 1.56 -0.53 0.00 0.00 176.83 177.62 2dnx h GLN 28 N 0.29 -0.18 -0.89 2.24 4.20 0.66 -0.37 115.11 121.07 2dnx h GLN 28 Ca 0.06 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.00 2dnx h GLN 28 Cb 0.44 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.13 2dnx h GLN 28 CO 0.03 -0.12 0.37 0.00 -0.67 0.00 0.00 178.83 178.44 2dnx h ALA 29 N -1.87 1.40 -0.25 3.87 0.00 0.67 1.21 119.26 124.29 2dnx h ALA 29 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dnx h ALA 29 Cb 0.14 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2dnx h ALA 29 CO 0.03 -0.35 0.16 1.15 0.00 0.00 0.00 179.25 180.25 2dnx h THR 30 N 0.38 1.06 -0.33 0.00 2.02 -1.15 -0.92 112.91 113.97 2dnx h THR 30 Ca 0.55 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 67.52 2dnx h THR 30 Cb 1.04 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2dnx h THR 30 CO -0.53 0.06 -0.17 0.00 0.37 0.00 0.00 175.52 175.24 2dnx h ALA 31 N 1.85 0.47 0.09 6.16 0.00 0.33 -2.76 119.26 125.39 2dnx h ALA 31 Ca 0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2dnx h ALA 31 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2dnx h ALA 31 CO -0.02 0.39 -0.05 1.96 0.00 0.00 0.00 179.25 181.54 2dnx h GLN 32 N 0.48 -0.12 -1.02 0.00 1.08 -0.17 -0.14 115.11 115.22 2dnx h GLN 32 Ca 0.07 0.01 0.25 0.00 -1.45 0.00 0.00 58.65 57.53 2dnx h GLN 32 Cb 0.71 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 28.08 2dnx h GLN 32 CO 0.05 -0.06 0.65 0.82 -0.95 0.00 0.00 178.83 179.35 2dnx h ILE 33 N -0.16 0.56 -0.01 2.54 2.04 -1.19 1.86 117.51 123.15 2dnx h ILE 33 Ca -0.01 -0.15 -0.16 0.00 1.00 0.00 0.00 64.86 65.54 2dnx h ILE 33 Cb 0.12 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 2dnx h ILE 33 CO 0.02 0.08 -0.72 0.11 0.00 0.00 0.00 178.15 177.64 2dnx h LYS 34 N 0.43 0.09 0.01 2.37 1.57 -1.05 0.06 116.57 120.06 2dnx h LYS 34 Ca 0.58 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 59.14 2dnx h LYS 34 Cb 1.41 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.75 2dnx h LYS 34 CO -0.29 0.78 -0.55 -0.97 -0.57 0.00 0.00 179.45 177.84 2dnx h ASN 35 N 0.06 0.46 0.84 0.86 -1.24 0.35 -3.07 115.58 113.84 2dnx h ASN 35 Ca -0.02 -0.79 0.00 0.00 0.71 0.00 0.00 56.30 56.21 2dnx h ASN 35 Cb 1.28 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.19 2dnx h ASN 35 CO 0.10 1.19 0.00 0.18 -1.29 0.00 0.00 177.43 177.61 2dnx n LEU 36 N -4.27 0.54 0.18 0.34 4.77 0.52 -3.15 117.00 115.94 2dnx n LEU 36 Ca -0.11 0.61 -0.07 0.00 -0.03 0.00 0.00 56.01 56.41 2dnx n LEU 36 Cb 0.66 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2dnx n LEU 36 CO 0.45 -0.40 0.37 -0.03 -1.33 0.00 0.00 177.39 176.45 2dnx h MET 37 N 0.00 -0.46 -0.37 3.23 4.05 -0.88 -2.59 114.93 117.91 2dnx h MET 37 Ca 0.00 0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.56 2dnx h MET 37 Cb 0.42 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 2dnx h MET 37 CO 0.00 -0.31 0.30 1.03 0.23 0.00 0.00 176.91 178.16 2dnx h SER 38 N -0.62 0.00 0.55 1.39 0.87 -1.60 0.62 113.55 114.77 2dnx h SER 38 Ca -0.05 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2dnx h SER 38 Cb 0.37 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2dnx h SER 38 CO 0.08 0.00 -0.38 1.56 -0.53 0.00 0.00 176.83 177.56 2dnx h GLN 39 N 0.00 -0.86 0.00 2.24 4.20 -1.48 0.24 115.11 119.44 2dnx h GLN 39 Ca 0.18 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2dnx h GLN 39 Cb 0.77 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.74 2dnx h GLN 39 CO -0.00 -0.58 0.00 1.47 -0.67 0.00 0.00 178.83 179.05 2dnx n LEU 40 N -5.51 0.36 0.09 1.46 -0.00 -0.72 -2.33 117.00 110.35 2dnx n LEU 40 Ca -0.12 0.56 -0.19 0.00 -0.00 0.00 0.00 56.01 56.26 2dnx n LEU 40 Cb 0.40 -0.48 -0.11 0.00 -0.00 0.00 0.00 43.42 43.23 2dnx n LEU 40 CO 0.33 -0.26 0.00 1.23 -0.00 0.00 0.00 177.39 178.69 2dnx h GLY 41 N 3.45 0.57 -1.76 1.47 0.00 0.19 -2.96 103.07 104.03 2dnx h GLY 41 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 47.33 46.17 2dnx h GLY 41 CO 0.00 1.03 0.00 -1.30 0.00 0.00 0.00 176.54 176.27 2dnx n THR 42 N -3.73 0.48 -2.80 4.70 -2.24 0.74 -4.54 114.28 106.90 2dnx n THR 42 Ca -0.11 -0.62 -0.04 0.00 -2.27 0.00 0.00 64.05 61.01 2dnx n THR 42 Cb 0.95 0.60 0.01 0.00 -2.10 0.00 0.00 70.33 69.79 2dnx n THR 42 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2dnx s LYS 43 N -1.52 1.06 -1.04 -0.78 -0.14 -0.99 -5.06 119.74 111.28 2dnx s LYS 43 Ca 0.36 -1.05 -0.23 0.00 -1.36 0.00 0.00 55.97 53.68 2dnx s LYS 43 Cb 0.20 -0.07 -0.14 0.00 -1.68 0.00 0.00 37.83 36.14 2dnx s LYS 43 CO 0.28 -1.32 1.94 1.04 -0.76 0.00 0.00 175.35 176.52 2dnx n GLN 44 N 3.01 1.32 0.00 1.68 6.02 -1.12 -4.45 117.38 123.84 2dnx n GLN 44 Ca 0.18 -2.19 0.00 0.00 -0.01 0.00 0.00 57.00 54.98 2dnx n GLN 44 Cb 0.56 -3.54 0.00 0.00 1.02 0.00 0.00 30.24 28.27 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 13.52 0.00 0.00 1.08 -0.08 -1.26 -5.14 116.55 124.67 2dnx n ASP 45 Ca 0.45 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 2dnx n ASP 45 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 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 0.00 0.00 -0.08 1.67 7.64 -1.26 -5.05 113.62 116.54 2dnx n SER 46 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2dnx n SER 46 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.00 0.00 -0.94 6.43 0.87 -2.00 -3.33 113.55 114.58 2dnx h SER 47 Ca 0.00 -0.17 0.09 0.00 -1.23 0.00 0.00 61.79 60.48 2dnx h SER 47 Cb 0.00 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 61.84 2dnx h SER 47 CO 0.00 0.92 -0.58 0.11 -0.53 0.00 0.00 176.83 176.75 2dnx h LYS 48 N -1.00 -0.04 -0.40 2.24 1.79 -1.98 0.12 116.57 117.30 2dnx h LYS 48 Ca -0.09 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.42 2dnx h LYS 48 Cb 0.67 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.28 2dnx h LYS 48 CO -0.05 -0.03 -0.25 1.25 -1.08 0.00 0.00 179.45 179.30 2dnx h LEU 49 N -0.04 -0.90 -0.82 2.94 5.85 -1.99 0.54 115.31 120.89 2dnx h LEU 49 Ca 0.16 0.14 0.19 0.00 0.84 0.00 0.00 57.88 59.21 2dnx h LEU 49 Cb 0.43 0.40 -0.15 0.00 0.37 0.00 0.00 40.66 41.71 2dnx h LEU 49 CO -0.91 -0.10 -0.01 1.56 -0.34 0.00 0.00 178.44 178.64 2dnx h GLN 50 N -0.01 0.07 -0.52 1.25 4.20 -1.12 1.61 115.11 120.59 2dnx h GLN 50 Ca 0.06 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.89 2dnx h GLN 50 Cb 0.17 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 2dnx h GLN 50 CO -0.38 0.05 0.36 0.93 -0.67 0.00 0.00 178.83 179.12 2dnx h GLU 51 N 0.07 0.16 -0.13 1.46 5.08 0.24 0.23 114.58 121.70 2dnx h GLU 51 Ca 0.46 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.66 2dnx h GLU 51 Cb 0.83 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.05 2dnx h GLU 51 CO -0.75 0.10 -0.48 -0.97 -1.00 0.00 0.00 179.01 175.91 2dnx h ASN 52 N 0.16 0.64 0.13 1.42 -0.73 0.49 -2.71 115.58 114.99 2dnx h ASN 52 Ca 0.25 -0.62 0.00 0.00 1.87 0.00 0.00 56.30 57.80 2dnx h ASN 52 Cb 0.77 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 2dnx h ASN 52 CO -0.04 1.15 -0.29 -0.07 -0.37 0.00 0.00 177.43 177.81 2dnx h LEU 53 N 0.17 -0.86 -0.24 0.34 3.38 0.57 0.28 115.31 118.96 2dnx h LEU 53 Ca -0.02 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2dnx h LEU 53 Cb 1.11 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 2dnx h LEU 53 CO 0.10 -0.33 -0.30 1.56 0.09 0.00 0.00 178.44 179.56 2dnx h GLN 54 N -0.46 -0.19 -0.84 1.13 4.20 -1.46 0.22 115.11 117.70 2dnx h GLN 54 Ca -0.01 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.85 2dnx h GLN 54 Cb 0.44 0.04 -0.15 0.00 0.30 0.00 0.00 27.48 28.12 2dnx h GLN 54 CO -0.12 -0.13 -0.32 1.96 -0.67 0.00 0.00 178.83 179.54 2dnx h GLN 55 N -0.20 -0.05 -0.62 1.46 1.08 -1.34 0.89 115.11 116.34 2dnx h GLN 55 Ca 0.04 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.36 2dnx h GLN 55 Cb 0.31 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.67 2dnx h GLN 55 CO -0.33 -0.03 0.18 -0.07 -0.95 0.00 0.00 178.83 177.62 2dnx h LEU 56 N -0.05 0.10 0.67 1.46 3.38 0.10 0.11 115.31 121.09 2dnx h LEU 56 Ca 0.33 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 2dnx h LEU 56 Cb 0.60 0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2dnx h LEU 56 CO -0.87 0.06 -0.32 1.56 0.09 0.00 0.00 178.44 178.95 2dnx h GLN 57 N 0.32 -0.87 -0.62 1.13 4.20 0.37 -2.02 115.11 117.62 2dnx h GLN 57 Ca 0.32 0.06 0.06 0.00 0.06 0.00 0.00 58.65 59.15 2dnx h GLN 57 Cb 0.46 0.20 -0.08 0.00 0.30 0.00 0.00 27.48 28.35 2dnx h GLN 57 CO -0.37 -0.58 -0.46 1.25 -0.67 0.00 0.00 178.83 178.00 2dnx h HIS 58 N -0.96 -1.45 -0.90 2.96 2.76 0.19 0.98 115.15 118.72 2dnx h HIS 58 Ca -0.09 0.09 0.16 0.00 -2.20 0.00 0.00 60.37 58.33 2dnx h HIS 58 Cb 0.69 0.71 -0.16 0.00 1.55 0.00 0.00 27.41 30.20 2dnx h HIS 58 CO 0.06 -0.33 -0.32 1.03 -1.30 0.00 0.00 177.93 177.08 2dnx h SER 59 N -0.11 -1.16 -0.76 3.26 0.87 -0.80 0.89 113.55 115.74 2dnx h SER 59 Ca 0.10 0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.92 2dnx h SER 59 Cb 0.38 0.65 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 2dnx h SER 59 CO -0.65 -0.30 0.36 0.74 -0.53 0.00 0.00 176.83 176.45 2dnx h THR 60 N -0.03 1.25 -0.02 2.23 2.02 0.25 -1.64 112.91 116.97 2dnx h THR 60 Ca 0.37 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.86 2dnx h THR 60 Cb 0.62 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2dnx h THR 60 CO -0.93 0.30 -0.31 -1.13 0.37 0.00 0.00 175.52 173.82 2dnx h ASN 61 N 1.08 -0.97 0.09 4.18 -0.73 0.81 0.11 115.58 120.16 2dnx h ASN 61 Ca 0.26 0.11 0.02 0.00 1.87 0.00 0.00 56.30 58.56 2dnx h ASN 61 Cb 0.13 0.37 -0.05 0.00 0.27 0.00 0.00 38.32 39.04 2dnx h ASN 61 CO -0.03 -0.30 -0.46 1.56 -0.37 0.00 0.00 177.43 177.83 2dnx h GLN 62 N -0.38 -0.65 -0.92 6.67 4.20 -1.05 0.25 115.11 123.23 2dnx h GLN 62 Ca 0.01 0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.91 2dnx h GLN 62 Cb 0.41 0.15 -0.15 0.00 0.30 0.00 0.00 27.48 28.19 2dnx h GLN 62 CO -0.22 -0.43 -0.34 1.28 -0.67 0.00 0.00 178.83 178.45 2dnx n LEU 63 N -5.47 -0.55 0.04 1.46 4.77 -0.62 0.13 117.00 116.75 2dnx n LEU 63 Ca -0.07 1.60 -0.11 0.00 -0.03 0.00 0.00 56.01 57.40 2dnx n LEU 63 Cb 0.39 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2dnx n LEU 63 CO 0.17 -1.45 0.82 0.00 -1.33 0.00 0.00 177.39 175.60 2dnx h ALA 64 N 1.37 -0.05 -0.85 -1.18 0.00 0.12 0.17 119.26 118.83 2dnx h ALA 64 Ca 0.34 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.48 2dnx h ALA 64 Cb 0.57 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.36 2dnx h ALA 64 CO -0.92 -0.56 0.27 0.87 0.00 0.00 0.00 179.25 178.92 2dnx h LYS 65 N -0.11 0.27 -0.09 0.00 1.57 0.31 0.16 116.57 118.67 2dnx h LYS 65 Ca 0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2dnx h LYS 65 Cb 0.16 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2dnx h LYS 65 CO -0.09 0.18 -0.02 0.93 -0.57 0.00 0.00 179.45 179.88 2dnx h GLU 66 N 0.28 0.18 -0.63 3.15 5.08 0.46 -2.39 114.58 120.71 2dnx h GLU 66 Ca 0.52 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.89 2dnx h GLU 66 Cb 1.01 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.14 2dnx h GLU 66 CO -0.58 0.49 -0.53 1.15 -1.00 0.00 0.00 179.01 178.53 2dnx h THR 67 N -0.15 0.02 0.21 1.13 2.02 0.21 1.50 112.91 117.85 2dnx h THR 67 Ca 0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.22 2dnx h THR 67 Cb 0.42 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 2dnx h THR 67 CO 0.01 0.00 -0.38 -1.13 0.37 0.00 0.00 175.52 174.39 2dnx h ASN 68 N -0.24 -1.09 -0.96 4.18 -1.24 -1.25 1.03 115.58 116.00 2dnx h ASN 68 Ca 0.13 0.11 0.21 0.00 0.71 0.00 0.00 56.30 57.46 2dnx h ASN 68 Cb 0.54 0.40 -0.08 0.00 0.73 0.00 0.00 38.32 39.91 2dnx h ASN 68 CO -0.72 -0.48 0.62 -0.33 -1.29 0.00 0.00 177.43 175.22 2dnx h GLU 69 N -0.67 0.51 0.07 6.67 4.39 -0.62 0.15 114.58 125.07 2dnx h GLU 69 Ca 0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2dnx h GLU 69 Cb 0.67 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2dnx h GLU 69 CO -0.17 0.33 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.91 2dnx h LEU 70 N 0.52 -0.08 -2.08 1.33 3.38 0.37 -1.53 115.31 117.23 2dnx h LEU 70 Ca 0.52 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2dnx h LEU 70 Cb 1.14 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2dnx h LEU 70 CO -0.26 0.48 0.23 -0.07 0.09 0.00 0.00 178.44 178.92 2dnx h LEU 71 N -0.67 0.00 0.04 1.67 3.38 0.26 0.46 115.31 120.45 2dnx h LEU 71 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2dnx h LEU 71 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dnx h LEU 71 CO 0.02 0.00 -0.69 0.11 0.09 0.00 0.00 178.44 177.97 2dnx h LYS 72 N 0.00 0.08 0.00 1.13 1.57 -0.52 -3.25 116.57 115.58 2dnx h LYS 72 Ca 0.00 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 2dnx h LYS 72 Cb 0.46 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2dnx h LYS 72 CO 0.00 1.06 -0.25 1.05 -0.57 0.00 0.00 179.45 180.74 2dnx h GLU 73 N -0.80 0.00 0.00 3.15 4.11 0.21 -2.41 114.58 118.84 2dnx h GLU 73 Ca -0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.26 2dnx h GLU 73 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2dnx h GLU 73 CO -0.03 0.25 -0.00 -0.07 0.07 0.00 0.00 179.01 179.23 2dnx h LEU 74 N 0.00 -0.00 -1.96 3.06 3.38 -0.33 -1.95 115.31 117.51 2dnx h LEU 74 Ca -0.00 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.23 2dnx h LEU 74 Cb 0.45 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2dnx h LEU 74 CO 0.03 -0.00 0.69 1.23 0.09 0.00 0.00 178.44 180.48 2dnx h GLY 75 N -0.00 0.00 1.18 0.83 0.00 -1.58 0.57 103.07 104.06 2dnx h GLY 75 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2dnx h GLY 75 CO 0.00 0.00 0.42 0.23 0.00 0.00 0.00 176.54 177.19 2dnx h SER 76 N 0.00 0.96 -3.29 0.19 0.87 -0.96 -3.44 113.55 107.89 2dnx h SER 76 Ca 0.43 -0.08 -0.55 0.00 -1.23 0.00 0.00 61.79 60.36 2dnx h SER 76 Cb 1.81 -0.24 0.20 0.00 -0.44 0.00 0.00 62.40 63.73 2dnx h SER 76 CO -0.00 0.78 -0.51 0.18 -0.53 0.00 0.00 176.83 176.74 2dnx n LEU 77 N -4.35 0.21 0.00 2.23 4.77 0.20 -4.98 117.00 115.09 2dnx n LEU 77 Ca 0.08 0.46 -0.27 0.00 -0.03 0.00 0.00 56.01 56.25 2dnx n LEU 77 Cb 0.10 -1.20 0.21 0.00 -2.33 0.00 0.00 43.42 40.20 2dnx n LEU 77 CO 0.38 -3.41 0.68 -0.81 -1.33 0.00 0.00 177.39 172.90 2dnx n PRO 78 N -1.13 -2.06 -4.23 3.23 -0.04 -1.26 -5.04 135.00 124.48 2dnx n PRO 78 Ca 0.08 -1.74 -0.29 0.00 -0.04 0.00 0.00 63.50 61.50 2dnx n PRO 78 Cb 0.52 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 2dnx n PRO 78 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dnx s LEU 79 N 0.00 3.03 0.85 1.53 1.43 -1.26 -5.09 118.68 119.16 2dnx s LEU 79 Ca 0.67 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.24 2dnx s LEU 79 Cb -0.04 -1.81 0.10 0.00 0.03 0.00 0.00 46.19 44.47 2dnx s LEU 79 CO 0.49 0.17 1.12 -2.16 0.23 0.00 0.00 176.35 176.20 2dnx s PRO 80 N -2.27 1.66 0.28 1.29 0.04 -1.26 -4.96 135.00 129.78 2dnx s PRO 80 Ca 0.22 0.48 0.06 0.00 0.04 0.00 0.00 61.00 61.79 2dnx s PRO 80 Cb -0.11 -1.88 0.40 0.00 0.04 0.00 0.00 34.50 32.95 2dnx s PRO 80 CO 0.14 -1.88 1.67 -0.07 0.04 0.00 0.00 177.00 176.90 2dnx h LEU 81 N -1.27 0.27 -9.46 -3.56 -0.00 -2.01 -3.43 115.31 95.86 2dnx h LEU 81 Ca -0.49 -0.12 -0.54 0.00 -0.00 0.00 0.00 57.88 56.73 2dnx h LEU 81 Cb 1.30 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.85 2dnx h LEU 81 CO 0.61 0.69 0.24 -0.44 -0.00 0.00 0.00 178.44 179.53 2dnx s SER 82 N -6.88 7.25 0.31 -0.43 0.01 -1.26 -4.94 113.70 107.75 2dnx s SER 82 Ca -0.05 1.50 0.12 0.00 1.31 0.00 0.00 55.95 58.84 2dnx s SER 82 Cb 0.13 -2.50 0.47 0.00 0.21 0.00 0.00 66.02 64.33 2dnx s SER 82 CO 0.78 -0.12 1.67 0.74 0.41 0.00 0.00 173.24 176.72 2dnx h THR 83 N 4.48 1.33 -0.21 1.44 2.02 -2.00 -2.63 112.91 117.34 2dnx h THR 83 Ca -0.42 -1.88 0.06 0.00 0.77 0.00 0.00 66.41 64.94 2dnx h THR 83 Cb 1.21 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.64 2dnx h THR 83 CO 0.73 0.53 0.16 0.28 0.37 0.00 0.00 175.52 177.59 2dnx h SER 84 N 0.00 0.00 0.52 4.18 0.02 -1.96 -0.41 113.55 115.90 2dnx h SER 84 Ca -0.01 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2dnx h SER 84 Cb 0.99 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.48 2dnx h SER 84 CO 0.07 0.00 -1.64 -0.33 -1.14 0.00 0.00 176.83 173.79 2dnx h GLU 85 N 0.00 0.03 0.23 3.45 4.39 -1.88 -3.20 114.58 117.61 2dnx h GLU 85 Ca 0.10 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2dnx h GLU 85 Cb 0.42 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2dnx h GLU 85 CO -0.00 0.64 -0.34 1.96 -1.16 0.00 0.00 179.01 180.11 2dnx h GLN 86 N 0.01 -0.58 -0.01 2.33 4.20 -0.74 0.31 115.11 120.63 2dnx h GLN 86 Ca -0.26 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.50 2dnx h GLN 86 Cb 1.99 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 29.88 2dnx h GLN 86 CO 0.09 -0.39 -0.06 0.07 -0.67 0.00 0.00 178.83 177.87 2dnx h ARG 87 N -0.60 -0.10 -1.01 1.46 0.11 -1.64 -1.15 114.38 111.44 2dnx h ARG 87 Ca -0.03 0.01 0.27 0.00 0.10 0.00 0.00 59.98 60.33 2dnx h ARG 87 Cb 0.55 0.02 -0.06 0.00 1.11 0.00 0.00 29.97 31.59 2dnx h ARG 87 CO -0.10 -0.06 0.70 1.96 0.10 0.00 0.00 179.97 182.56 2dnx h GLN 88 N -0.10 0.19 0.12 0.08 1.08 -1.51 0.93 115.11 115.89 2dnx h GLN 88 Ca 0.03 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2dnx h GLN 88 Cb 0.14 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2dnx h GLN 88 CO -0.07 0.13 -0.06 1.96 -0.95 0.00 0.00 178.83 179.84 2dnx h GLN 89 N 0.20 -0.15 -0.96 1.46 4.20 0.86 -1.49 115.11 119.22 2dnx h GLN 89 Ca 0.52 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.39 2dnx h GLN 89 Cb 1.69 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 29.42 2dnx h GLN 89 CO -0.13 -0.10 0.61 0.07 -0.67 0.00 0.00 178.83 178.61 2dnx h ARG 90 N -0.24 0.79 -0.20 1.46 0.11 -0.82 -0.20 114.38 115.28 2dnx h ARG 90 Ca -0.02 -0.05 0.03 0.00 0.10 0.00 0.00 59.98 60.05 2dnx h ARG 90 Cb 0.12 -0.18 -0.03 0.00 1.11 0.00 0.00 29.97 30.99 2dnx h ARG 90 CO 0.03 0.52 -0.00 -0.07 0.10 0.00 0.00 179.97 180.54 2dnx h LEU 91 N 0.81 -0.08 0.05 0.08 3.38 0.82 0.40 115.31 120.78 2dnx h LEU 91 Ca 0.50 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.54 2dnx h LEU 91 Cb 0.70 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 2dnx h LEU 91 CO -0.27 -0.01 -0.24 1.56 0.09 0.00 0.00 178.44 179.57 2dnx h GLN 92 N 0.06 -0.39 -0.21 1.13 1.08 0.05 -0.31 115.11 116.52 2dnx h GLN 92 Ca 0.09 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 2dnx h GLN 92 Cb 0.12 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.59 2dnx h GLN 92 CO -0.16 -0.26 -0.06 -0.22 -0.95 0.00 0.00 178.83 177.18 2dnx h LYS 93 N -0.40 -0.02 -0.46 1.46 3.64 -0.95 0.22 116.57 120.05 2dnx h LYS 93 Ca 0.05 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 2dnx h LYS 93 Cb 0.46 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.19 2dnx h LYS 93 CO -0.18 -0.01 -0.33 0.93 -2.27 0.00 0.00 179.45 177.59 2dnx h GLU 94 N -0.02 -0.22 -0.14 1.90 4.39 0.36 0.81 114.58 121.66 2dnx h GLU 94 Ca 0.11 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2dnx h GLU 94 Cb 0.18 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2dnx h GLU 94 CO -0.23 -0.14 0.09 0.00 -1.16 0.00 0.00 179.01 177.57 2dnx h ARG 95 N -0.22 0.18 -0.62 2.33 -0.00 -0.48 -1.49 114.38 114.08 2dnx h ARG 95 Ca 0.19 -0.01 0.10 0.00 -0.50 0.00 0.00 59.98 59.76 2dnx h ARG 95 Cb 0.54 -0.04 -0.07 0.00 0.00 0.00 0.00 29.97 30.40 2dnx h ARG 95 CO -0.58 0.13 0.22 -0.07 0.00 0.00 0.00 179.97 179.67 2dnx h LEU 96 N 0.18 0.21 -0.93 3.04 3.38 0.90 0.79 115.31 122.88 2dnx h LEU 96 Ca 0.05 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2dnx h LEU 96 Cb -0.01 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 2dnx h LEU 96 CO -0.01 0.12 0.60 0.24 0.09 0.00 0.00 178.44 179.48 2dnx h MET 97 N 0.40 1.10 0.24 1.13 2.86 0.11 0.51 114.93 121.27 2dnx h MET 97 Ca 0.31 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 2dnx h MET 97 Cb 0.40 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2dnx h MET 97 CO -0.32 0.73 -0.11 -0.91 1.06 0.00 0.00 176.91 177.35 2dnx h ASN 98 N 1.13 -0.27 -0.61 1.22 2.35 0.03 -1.79 115.58 117.64 2dnx h ASN 98 Ca 0.39 -0.25 0.12 0.00 -0.55 0.00 0.00 56.30 56.01 2dnx h ASN 98 Cb 0.09 0.07 -0.10 0.00 0.05 0.00 0.00 38.32 38.43 2dnx h ASN 98 CO -0.15 0.22 0.04 0.44 -1.65 0.00 0.00 177.43 176.33 2dnx h ASP 99 N -0.89 -0.19 -0.86 5.81 3.32 0.73 0.19 116.42 124.52 2dnx h ASP 99 Ca -0.03 0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.20 2dnx h ASP 99 Cb 0.51 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 2dnx h ASP 99 CO 0.05 -0.08 0.55 0.15 -1.72 0.00 0.00 179.24 178.19 2dnx h PHE 100 N 0.15 1.02 0.83 4.55 3.57 -0.00 -2.00 116.94 125.06 2dnx h PHE 100 Ca 0.32 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 2dnx h PHE 100 Cb 0.51 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.92 2dnx h PHE 100 CO -0.33 0.57 -0.44 1.03 -2.23 0.00 0.00 178.31 176.91 2dnx h SER 101 N 1.04 -1.06 -1.06 0.41 0.87 0.20 0.88 113.55 114.82 2dnx h SER 101 Ca 0.35 0.05 0.32 0.00 -1.23 0.00 0.00 61.79 61.27 2dnx h SER 101 Cb 0.05 0.29 -0.13 0.00 -0.44 0.00 0.00 62.40 62.17 2dnx h SER 101 CO -0.13 -0.72 0.64 0.00 -0.53 0.00 0.00 176.83 176.09 2dnx h ALA 102 N -1.03 2.12 -0.04 6.23 0.00 -0.81 1.45 119.26 127.18 2dnx h ALA 102 Ca -0.11 0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 2dnx h ALA 102 Cb 0.91 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2dnx h ALA 102 CO 0.16 -0.67 -0.93 0.00 0.00 0.00 0.00 179.25 177.82 2dnx h ALA 103 N 1.74 0.30 0.66 0.00 0.00 -0.69 -3.05 119.26 118.22 2dnx h ALA 103 Ca 0.70 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2dnx h ALA 103 Cb 1.71 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.52 2dnx h ALA 103 CO -0.49 0.74 -0.32 1.25 0.00 0.00 0.00 179.25 180.43 2dnx h LEU 104 N 0.35 -0.75 -1.03 0.00 5.85 0.89 -2.56 115.31 118.05 2dnx h LEU 104 Ca -0.09 0.03 0.42 0.00 0.84 0.00 0.00 57.88 59.08 2dnx h LEU 104 Cb 1.56 0.20 -0.17 0.00 0.37 0.00 0.00 40.66 42.61 2dnx h LEU 104 CO 0.17 -0.44 0.57 -1.13 -0.34 0.00 0.00 178.44 177.27 2dnx h ASN 105 N -1.08 0.32 0.66 1.25 -0.73 0.83 0.54 115.58 117.37 2dnx h ASN 105 Ca -0.09 0.25 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 2dnx h ASN 105 Cb 0.68 0.25 -0.00 0.00 0.27 0.00 0.00 38.32 39.52 2dnx h ASN 105 CO 0.15 -0.41 -0.41 0.78 -0.37 0.00 0.00 177.43 177.17 2dnx h ASN 106 N 0.02 -1.04 -0.81 1.15 2.35 -1.38 -0.72 115.58 115.15 2dnx h ASN 106 Ca 0.85 0.06 0.20 0.00 -0.55 0.00 0.00 56.30 56.85 2dnx h ASN 106 Cb 2.27 0.30 -0.13 0.00 0.05 0.00 0.00 38.32 40.81 2dnx h ASN 106 CO -0.73 -0.63 0.18 0.15 -1.65 0.00 0.00 177.43 174.74 2dnx h PHE 107 N -1.00 0.26 0.33 1.19 3.57 0.42 -0.25 116.94 121.45 2dnx h PHE 107 Ca -0.09 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2dnx h PHE 107 Cb 0.81 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 2dnx h PHE 107 CO -0.07 -0.17 -0.31 1.96 -2.23 0.00 0.00 178.31 177.48 2dnx h GLN 108 N 0.22 -0.61 -0.61 1.11 4.20 -0.81 1.51 115.11 120.11 2dnx h GLN 108 Ca 0.48 0.04 0.18 0.00 0.06 0.00 0.00 58.65 59.41 2dnx h GLN 108 Cb 0.90 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 2dnx h GLN 108 CO -0.61 -0.41 0.70 0.00 -0.67 0.00 0.00 178.83 177.85 2dnx h ALA 109 N -1.25 2.38 0.11 3.87 0.00 -0.24 1.61 119.26 125.74 2dnx h ALA 109 Ca -0.04 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 2dnx h ALA 109 Cb 0.55 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2dnx h ALA 109 CO -0.03 -1.02 -1.57 0.28 0.00 0.00 0.00 179.25 176.91 2dnx h VAL 110 N 0.00 1.10 -0.25 0.00 2.07 0.70 -2.74 116.25 117.13 2dnx h VAL 110 Ca 0.29 -2.76 -0.11 0.00 0.82 0.00 0.00 66.70 64.94 2dnx h VAL 110 Cb 1.69 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 34.18 2dnx h VAL 110 CO -0.00 0.81 -0.30 0.06 0.02 0.00 0.00 177.57 178.15 2dnx h GLN 111 N 0.07 0.51 0.00 1.57 3.07 1.33 0.64 115.11 122.30 2dnx h GLN 111 Ca -0.26 -0.22 -0.04 0.00 0.09 0.00 0.00 58.65 58.22 2dnx h GLN 111 Cb 2.02 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 29.55 2dnx h GLN 111 CO 0.15 0.76 -0.20 0.07 0.09 0.00 0.00 178.83 179.70 2dnx h ARG 112 N 0.44 0.00 0.00 0.06 -0.00 -0.41 -2.45 114.38 112.02 2dnx h ARG 112 Ca 0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.95 2dnx h ARG 112 Cb 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.71 2dnx h ARG 112 CO 0.06 0.20 -0.86 0.00 -0.00 0.00 0.00 179.97 179.38 2dnx h ARG 113 N 0.00 0.00 0.00 0.08 3.08 -1.12 -3.26 114.38 113.17 2dnx h ARG 113 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dnx h ARG 113 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2dnx h ARG 113 CO 0.03 0.23 -0.00 0.28 -1.07 0.00 0.00 179.97 179.43 2dnx h VAL 114 N 0.00 0.67 -1.16 2.04 2.07 -0.82 -2.43 116.25 116.62 2dnx h VAL 114 Ca -0.05 -1.49 0.34 0.00 0.82 0.00 0.00 66.70 66.31 2dnx h VAL 114 Cb 1.30 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 2dnx h VAL 114 CO 0.03 0.23 0.86 0.28 0.02 0.00 0.00 177.57 178.99 2dnx h SER 115 N -1.00 0.00 0.53 0.57 0.02 -1.60 1.21 113.55 113.28 2dnx h SER 115 Ca -0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2dnx h SER 115 Cb 0.37 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.93 2dnx h SER 115 CO 0.00 0.00 -1.33 -0.08 -1.14 0.00 0.00 176.83 174.29 2dnx h GLU 116 N 0.00 0.33 -0.30 3.45 4.81 -1.62 -2.59 114.58 118.67 2dnx h GLU 116 Ca 0.55 -0.56 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 2dnx h GLU 116 Cb 2.27 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 31.85 2dnx h GLU 116 CO -0.01 1.26 -0.28 0.87 -0.73 0.00 0.00 179.01 180.13 2dnx h LYS 117 N 0.09 0.72 0.00 1.92 1.79 0.17 0.46 116.57 121.72 2dnx h LYS 117 Ca -0.17 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 2dnx h LYS 117 Cb 2.02 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.68 2dnx h LYS 117 CO 0.22 0.99 0.00 0.93 -1.08 0.00 0.00 179.45 180.51 2dnx h GLU 118 N 0.48 0.00 0.02 3.15 4.39 -0.02 -2.29 114.58 120.31 2dnx h GLU 118 Ca 0.05 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.56 2dnx h GLU 118 Cb 0.85 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 2dnx h GLU 118 CO 0.07 0.00 -1.00 -0.22 -1.16 0.00 0.00 179.01 176.70 2dnx h LYS 119 N 0.00 0.04 -0.84 2.33 3.64 -1.03 -3.32 116.57 117.39 2dnx h LYS 119 Ca 0.00 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2dnx h LYS 119 Cb 0.44 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 2dnx h LYS 119 CO 0.00 1.03 0.51 0.93 -2.27 0.00 0.00 179.45 179.65 2dnx h GLU 120 N -0.88 0.88 -0.02 1.90 5.08 -0.81 0.47 114.58 121.20 2dnx h GLU 120 Ca -0.26 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2dnx h GLU 120 Cb 1.31 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2dnx h GLU 120 CO -0.12 0.58 -0.32 1.03 -1.00 0.00 0.00 179.01 179.18 2dnx h SER 121 N 0.91 -1.00 0.16 1.42 0.87 -1.57 -3.24 113.55 111.11 2dnx h SER 121 Ca 0.38 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 61.05 2dnx h SER 121 Cb 0.23 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2dnx h SER 121 CO -0.19 -0.31 -0.08 0.40 -0.53 0.00 0.00 176.83 176.12 2dnx h ILE 122 N -0.39 0.00 -2.47 2.23 5.03 -1.59 -3.49 117.51 116.82 2dnx h ILE 122 Ca 0.01 -0.06 0.29 0.00 -0.12 0.00 0.00 64.86 64.98 2dnx h ILE 122 Cb 0.43 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.12 2dnx h ILE 122 CO -0.23 0.00 -0.53 0.00 -0.68 0.00 0.00 178.15 176.72 2dnx n ALA 123 N -2.16 -2.82 -2.46 1.87 0.00 0.16 -5.01 120.51 110.10 2dnx n ALA 123 Ca -0.03 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 2dnx n ALA 123 Cb 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2dnx n ALA 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dnx n ARG 124 N -3.64 -2.37 0.00 0.00 5.12 -1.26 -5.07 116.66 109.44 2dnx n ARG 124 Ca -0.01 2.07 0.00 0.00 -1.93 0.00 0.00 57.85 57.98 2dnx n ARG 124 Cb 0.50 -4.47 0.00 0.00 -1.16 0.00 0.00 32.46 27.33 2dnx n ARG 124 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dnx n SER 125 N 0.22 0.00 -3.91 0.55 2.88 -1.26 -5.08 113.62 107.02 2dnx n SER 125 Ca 0.03 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.24 2dnx n SER 125 Cb 0.13 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.44 2dnx n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnx n GLY 126 N -0.25 -0.43 3.82 0.46 0.00 -1.26 -4.84 105.19 102.69 2dnx n GLY 126 Ca 0.00 0.84 -0.31 0.00 0.00 0.00 0.00 46.02 46.55 2dnx n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnx s PRO 127 N 7.53 2.84 -0.31 1.61 0.04 -1.26 -5.06 135.00 140.39 2dnx s PRO 127 Ca 1.18 0.92 -0.10 0.00 0.04 0.00 0.00 61.00 63.04 2dnx s PRO 127 Cb -1.04 -1.98 0.19 0.00 0.04 0.00 0.00 34.50 31.71 2dnx s PRO 127 CO 0.44 -1.16 1.03 -1.54 0.04 0.00 0.00 177.00 175.80 2dnx s SER 128 N -3.81 -0.45 -0.08 6.66 1.04 -1.26 -5.16 113.70 110.65 2dnx s SER 128 Ca 0.58 -0.02 -0.00 0.00 0.48 0.00 0.00 55.95 56.99 2dnx s SER 128 Cb -0.14 1.08 -0.03 0.00 0.10 0.00 0.00 66.02 67.03 2dnx s SER 128 CO 0.55 -0.07 -0.05 -0.55 0.98 0.00 0.00 173.24 174.10 2dnx s SER 129 N 2.67 4.80 0.00 7.02 0.15 -1.26 -5.29 113.70 121.79 2dnx s SER 129 Ca 0.24 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2dnx s SER 129 Cb -0.01 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 2dnx s SER 129 CO -0.21 0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.20