#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 -8.57 -3.65 1.61 7.64 -1.26 -5.08 113.62 104.31 2dnx n SER 2 Ca 0.00 1.22 -0.03 0.00 1.01 0.00 0.00 58.87 61.08 2dnx n SER 2 Cb 0.00 -4.65 -0.07 0.00 -1.01 0.00 0.00 64.21 58.49 2dnx n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dnx s SER 3 N -2.96 -0.27 0.00 6.43 0.15 -1.26 -5.05 113.70 110.74 2dnx s SER 3 Ca 0.00 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2dnx s SER 3 Cb 0.00 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 2dnx s SER 3 CO 0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2dnx n GLY 4 N 2.69 -0.88 3.52 9.45 0.00 -1.26 -5.08 105.19 113.63 2dnx n GLY 4 Ca -0.15 0.89 -0.08 0.00 0.00 0.00 0.00 46.02 46.68 2dnx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dnx s SER 5 N 0.00 -0.34 0.28 1.61 1.04 -1.26 -5.17 113.70 109.85 2dnx s SER 5 Ca 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2dnx s SER 5 Cb 0.00 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2dnx s SER 5 CO 0.00 -0.61 0.47 -0.44 0.98 0.00 0.00 173.24 173.64 2dnx s SER 6 N -2.48 6.34 1.40 7.02 0.01 -1.26 -4.94 113.70 119.80 2dnx s SER 6 Ca 0.06 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.71 2dnx s SER 6 Cb -0.01 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2dnx s SER 6 CO -0.08 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2dnx n GLY 7 N -1.27 3.21 1.60 3.44 0.00 -1.26 -4.99 105.19 105.92 2dnx n GLY 7 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2dnx n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dnx n GLN 8 N 14.00 -4.47 -1.20 1.61 6.02 -1.26 -4.83 117.38 127.25 2dnx n GLN 8 Ca 0.00 3.37 -0.37 0.00 -0.01 0.00 0.00 57.00 60.00 2dnx n GLN 8 Cb 0.00 -3.92 0.05 0.00 1.02 0.00 0.00 30.24 27.39 2dnx n GLN 8 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2dnx n LEU 9 N -1.44 -1.21 -4.13 1.08 7.99 -1.26 -4.65 117.00 113.38 2dnx n LEU 9 Ca 0.00 0.54 -0.33 0.00 -0.01 0.00 0.00 56.01 56.21 2dnx n LEU 9 Cb 0.15 -1.07 -0.08 0.00 -0.11 0.00 0.00 43.42 42.32 2dnx n LEU 9 CO 0.00 -3.93 1.60 0.54 -1.51 0.00 0.00 177.39 174.08 2dnx n ARG 10 N 0.20 1.04 -2.40 3.23 5.12 -1.26 -4.90 116.66 117.69 2dnx n ARG 10 Ca 0.08 -1.92 -0.37 0.00 -1.93 0.00 0.00 57.85 53.71 2dnx n ARG 10 Cb 0.50 -3.34 -0.03 0.00 -1.16 0.00 0.00 32.46 28.44 2dnx n ARG 10 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2dnx s ASP 11 N 6.51 6.47 0.17 0.55 -1.08 -1.26 -4.76 116.67 123.27 2dnx s ASP 11 Ca 0.68 2.17 -0.26 0.00 -0.52 0.00 0.00 52.55 54.62 2dnx s ASP 11 Cb 0.05 -2.59 0.01 0.00 -1.46 0.00 0.00 42.92 38.94 2dnx s ASP 11 CO 0.18 -0.70 1.47 0.33 0.52 0.00 0.00 175.17 176.97 2dnx n PHE 12 N -0.28 -0.30 -0.34 -5.34 -0.00 -1.26 0.15 117.46 110.10 2dnx n PHE 12 Ca 0.06 1.19 0.06 0.00 -0.00 0.00 0.00 57.45 58.76 2dnx n PHE 12 Cb 0.49 -0.65 0.22 0.00 -0.00 0.00 0.00 39.48 39.54 2dnx n PHE 12 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2dnx h SER 13 N 0.00 0.81 0.13 -2.13 0.02 -1.97 1.17 113.55 111.58 2dnx h SER 13 Ca 0.20 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2dnx h SER 13 Cb 0.44 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2dnx h SER 13 CO -0.91 0.42 -0.14 0.28 -1.14 0.00 0.00 176.83 175.34 2dnx h SER 14 N 0.88 0.04 0.40 3.07 0.02 0.98 -1.77 113.55 117.18 2dnx h SER 14 Ca 0.47 -0.01 -0.31 0.00 -0.84 0.00 0.00 61.79 61.10 2dnx h SER 14 Cb 0.50 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2dnx h SER 14 CO -0.28 0.19 -1.57 0.40 -1.14 0.00 0.00 176.83 174.43 2dnx h ILE 15 N 0.04 1.11 0.11 3.27 2.04 0.37 -3.29 117.51 121.17 2dnx h ILE 15 Ca 0.01 -2.74 -0.00 0.00 1.00 0.00 0.00 64.86 63.13 2dnx h ILE 15 Cb 0.28 2.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 2dnx h ILE 15 CO 0.02 0.82 -0.12 0.40 0.00 0.00 0.00 178.15 179.27 2dnx h ILE 16 N 0.08 0.00 -0.96 -0.67 1.08 0.18 0.40 117.51 117.61 2dnx h ILE 16 Ca -0.26 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.31 2dnx h ILE 16 Cb 2.03 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.66 2dnx h ILE 16 CO 0.17 0.00 -0.51 0.00 -0.69 0.00 0.00 178.15 177.11 2dnx n GLN 17 N -3.04 -0.37 -0.32 2.37 1.13 -0.72 0.15 117.38 116.58 2dnx n GLN 17 Ca -0.03 1.46 0.07 0.00 -1.94 0.00 0.00 57.00 56.57 2dnx n GLN 17 Cb 0.11 -2.15 0.23 0.00 0.11 0.00 0.00 30.24 28.54 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 0.81 0.39 5.09 2.02 -1.58 1.14 112.91 120.79 2dnx h THR 18 Ca 0.20 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2dnx h THR 18 Cb 0.44 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2dnx h THR 18 CO -0.92 0.14 -0.19 0.00 0.37 0.00 0.00 175.52 174.93 2dnx h SER 20 N -0.76 -0.36 -0.08 0.00 4.64 0.22 -0.95 113.55 116.26 2dnx h SER 20 Ca -0.05 0.08 0.04 0.00 -0.47 0.00 0.00 61.79 61.38 2dnx h SER 20 Cb 0.52 0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.76 2dnx h SER 20 CO 0.09 -0.15 -0.19 1.23 -0.87 0.00 0.00 176.83 176.94 2dnx h GLY 21 N -0.11 -0.19 -0.08 -0.77 0.00 0.14 -1.94 103.07 100.12 2dnx h GLY 21 Ca 0.10 0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.75 2dnx h GLY 21 CO -0.24 -0.17 -0.20 3.43 0.00 0.00 0.00 176.54 179.35 2dnx h ASN 22 N -0.26 -0.71 -0.48 0.19 2.35 -0.25 -0.06 115.58 116.36 2dnx h ASN 22 Ca 0.08 0.17 0.09 0.00 -0.55 0.00 0.00 56.30 56.09 2dnx h ASN 22 Cb 0.38 0.39 -0.10 0.00 0.05 0.00 0.00 38.32 39.04 2dnx h ASN 22 CO -0.23 -0.23 -0.34 0.40 -1.65 0.00 0.00 177.43 175.37 2dnx h ILE 23 N -0.11 0.20 -0.06 2.81 2.04 -0.50 0.62 117.51 122.51 2dnx h ILE 23 Ca 0.22 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.10 2dnx h ILE 23 Cb 0.45 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 2dnx h ILE 23 CO -0.53 0.00 -0.52 1.56 0.00 0.00 0.00 178.15 178.66 2dnx h GLN 24 N -0.22 -0.59 -0.75 2.37 4.20 -0.34 -0.73 115.11 119.06 2dnx h GLN 24 Ca 0.19 0.04 0.15 0.00 0.06 0.00 0.00 58.65 59.10 2dnx h GLN 24 Cb 0.55 0.13 -0.14 0.00 0.30 0.00 0.00 27.48 28.32 2dnx h GLN 24 CO -0.60 -0.39 -0.16 0.00 -0.67 0.00 0.00 178.83 177.01 2dnx h ARG 25 N -0.61 0.01 -0.04 1.46 -0.00 -0.16 1.23 114.38 116.26 2dnx h ARG 25 Ca 0.02 -0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.53 2dnx h ARG 25 Cb 0.68 -0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.59 2dnx h ARG 25 CO -0.38 0.01 -0.48 0.82 0.00 0.00 0.00 179.97 179.94 2dnx h ILE 26 N 0.01 0.07 -0.17 2.04 2.04 0.31 0.93 117.51 122.74 2dnx h ILE 26 Ca 0.37 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.21 2dnx h ILE 26 Cb 0.57 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2dnx h ILE 26 CO -0.75 0.00 0.02 -1.28 0.00 0.00 0.00 178.15 176.14 2dnx h SER 27 N -0.60 0.22 0.39 1.72 0.87 0.43 -0.76 113.55 115.82 2dnx h SER 27 Ca 0.04 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 2dnx h SER 27 Cb 0.68 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2dnx h SER 27 CO -0.37 0.25 -0.19 1.56 -0.53 0.00 0.00 176.83 177.56 2dnx h GLN 28 N 0.24 -0.50 -1.00 2.24 4.20 0.40 -1.17 115.11 119.53 2dnx h GLN 28 Ca 0.06 0.03 0.23 0.00 0.06 0.00 0.00 58.65 59.04 2dnx h GLN 28 Cb 0.13 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 27.93 2dnx h GLN 28 CO -0.00 -0.33 0.63 0.00 -0.67 0.00 0.00 178.83 178.46 2dnx h ALA 29 N -1.64 2.05 0.00 3.87 0.00 0.85 1.30 119.26 125.68 2dnx h ALA 29 Ca -0.05 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2dnx h ALA 29 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2dnx h ALA 29 CO 0.09 -0.42 -0.18 1.15 0.00 0.00 0.00 179.25 179.89 2dnx h THR 30 N 0.51 0.89 -0.03 0.00 2.02 -1.03 -1.26 112.91 114.00 2dnx h THR 30 Ca 0.57 -0.66 -0.19 0.00 0.77 0.00 0.00 66.41 66.90 2dnx h THR 30 Cb 1.25 1.38 0.01 0.00 -1.74 0.00 0.00 68.15 69.06 2dnx h THR 30 CO -0.31 0.17 -0.70 0.00 0.37 0.00 0.00 175.52 175.05 2dnx h ALA 31 N 1.82 0.13 0.04 6.16 0.00 0.29 -3.11 119.26 124.59 2dnx h ALA 31 Ca -0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2dnx h ALA 31 Cb 0.37 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2dnx h ALA 31 CO 0.02 0.47 -0.02 1.96 0.00 0.00 0.00 179.25 181.68 2dnx h GLN 32 N 0.12 -0.05 -1.02 0.00 1.08 -0.72 0.08 115.11 114.59 2dnx h GLN 32 Ca -0.08 0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.38 2dnx h GLN 32 Cb 1.38 0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 28.70 2dnx h GLN 32 CO 0.14 -0.01 0.62 0.82 -0.95 0.00 0.00 178.83 179.44 2dnx h ILE 33 N -0.08 0.51 0.00 2.54 2.04 -1.32 2.19 117.51 123.39 2dnx h ILE 33 Ca -0.01 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.53 2dnx h ILE 33 Cb 0.06 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 2dnx h ILE 33 CO 0.01 0.09 -0.68 0.11 0.00 0.00 0.00 178.15 177.68 2dnx h LYS 34 N 0.52 0.00 0.03 2.37 1.57 -1.30 0.10 116.57 119.86 2dnx h LYS 34 Ca 0.64 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.24 2dnx h LYS 34 Cb 1.34 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.66 2dnx h LYS 34 CO -0.44 0.68 -0.71 -0.97 -0.57 0.00 0.00 179.45 177.44 2dnx h ASN 35 N 0.00 0.58 1.08 0.86 -1.24 0.40 -3.09 115.58 114.17 2dnx h ASN 35 Ca -0.01 -0.79 0.00 0.00 0.71 0.00 0.00 56.30 56.21 2dnx h ASN 35 Cb 1.23 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.10 2dnx h ASN 35 CO 0.09 1.30 0.00 0.18 -1.29 0.00 0.00 177.43 177.71 2dnx n LEU 36 N -4.15 0.63 0.39 0.34 4.77 0.62 -3.58 117.00 116.02 2dnx n LEU 36 Ca -0.11 0.60 -0.16 0.00 -0.03 0.00 0.00 56.01 56.31 2dnx n LEU 36 Cb 0.73 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 2dnx n LEU 36 CO 0.48 -0.32 0.43 -0.03 -1.33 0.00 0.00 177.39 176.63 2dnx h MET 37 N 0.00 -0.98 -0.97 3.23 4.05 -0.71 -3.06 114.93 116.49 2dnx h MET 37 Ca 0.00 0.07 0.27 0.00 -0.28 0.00 0.00 59.70 59.76 2dnx h MET 37 Cb 0.54 0.22 -0.18 0.00 -0.80 0.00 0.00 31.60 31.38 2dnx h MET 37 CO 0.00 -0.65 0.04 -1.13 0.23 0.00 0.00 176.91 175.40 2dnx n SER 38 N -5.23 -0.09 -0.13 1.39 3.41 -1.23 -0.44 113.62 111.31 2dnx n SER 38 Ca -0.13 1.64 -0.06 0.00 -0.26 0.00 0.00 58.87 60.06 2dnx n SER 38 Cb 0.40 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 2dnx n SER 38 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2dnx h GLN 39 N 0.00 -0.11 -0.65 4.33 4.20 -1.68 0.25 115.11 121.45 2dnx h GLN 39 Ca 0.60 0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.41 2dnx h GLN 39 Cb 1.26 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.95 2dnx h GLN 39 CO -0.90 -0.07 -0.44 -0.07 -0.67 0.00 0.00 178.83 176.68 2dnx h LEU 40 N -0.11 -1.52 0.00 1.46 4.07 -0.78 -2.68 115.31 115.76 2dnx h LEU 40 Ca 0.05 0.26 0.00 0.00 0.08 0.00 0.00 57.88 58.27 2dnx h LEU 40 Cb 0.25 0.70 0.00 0.00 1.08 0.00 0.00 40.66 42.69 2dnx h LEU 40 CO -0.36 -0.32 0.00 0.61 -1.08 0.00 0.00 178.44 177.29 2dnx n GLY 41 N -1.40 -3.11 3.29 0.83 0.00 -0.25 -4.59 105.19 99.96 2dnx n GLY 41 Ca 0.03 0.41 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 2dnx n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dnx n THR 42 N -1.75 0.00 -1.15 2.61 -2.24 0.71 -4.73 114.28 107.73 2dnx n THR 42 Ca 0.00 -0.31 -0.34 0.00 -2.27 0.00 0.00 64.05 61.13 2dnx n THR 42 Cb 0.00 -0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 67.52 2dnx n THR 42 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2dnx n LYS 43 N -2.75 2.83 -3.02 -0.78 5.02 -1.26 -4.47 118.16 113.73 2dnx n LYS 43 Ca 0.02 -1.96 -0.03 0.00 -2.02 0.00 0.00 58.31 54.32 2dnx n LYS 43 Cb 0.59 -2.75 -0.01 0.00 -0.02 0.00 0.00 35.03 32.85 2dnx n LYS 43 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2dnx s GLN 44 N 2.99 0.93 0.17 1.97 -1.52 -1.22 -5.13 119.66 117.86 2dnx s GLN 44 Ca 0.55 -0.70 0.10 0.00 -1.95 0.00 0.00 55.36 53.37 2dnx s GLN 44 Cb 0.14 -0.04 -0.04 0.00 -0.22 0.00 0.00 33.01 32.85 2dnx s GLN 44 CO -0.04 -1.26 -0.22 -0.51 -0.25 0.00 0.00 175.29 173.01 2dnx s ASP 45 N 1.34 3.15 0.23 5.90 1.11 -1.26 -3.49 116.67 123.65 2dnx s ASP 45 Ca 0.23 -0.85 -0.20 0.00 0.18 0.00 0.00 52.55 51.92 2dnx s ASP 45 Cb -0.03 -0.22 0.03 0.00 1.07 0.00 0.00 42.92 43.78 2dnx s ASP 45 CO -0.06 0.08 0.62 -0.44 1.18 0.00 0.00 175.17 176.54 2dnx s SER 46 N -2.58 -0.30 0.12 0.27 0.01 -1.26 -5.04 113.70 104.92 2dnx s SER 46 Ca 0.18 -0.50 0.07 0.00 1.31 0.00 0.00 55.95 57.01 2dnx s SER 46 Cb -0.08 0.65 -0.21 0.00 0.21 0.00 0.00 66.02 66.59 2dnx s SER 46 CO 0.08 -1.18 1.26 0.28 0.41 0.00 0.00 173.24 174.10 2dnx h SER 47 N 2.08 0.01 0.56 2.44 0.02 -2.01 -2.85 113.55 113.81 2dnx h SER 47 Ca -0.25 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2dnx h SER 47 Cb 1.26 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2dnx h SER 47 CO 0.31 1.01 0.00 0.11 -1.14 0.00 0.00 176.83 177.12 2dnx h LYS 48 N 0.00 0.00 0.00 3.45 1.79 -1.98 -0.84 116.57 118.99 2dnx h LYS 48 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2dnx h LYS 48 Cb 1.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.43 2dnx h LYS 48 CO 0.13 0.00 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.24 2dnx h LEU 49 N 0.00 0.00 -1.55 2.94 3.38 -1.95 -3.15 115.31 114.98 2dnx h LEU 49 Ca 0.00 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.33 2dnx h LEU 49 Cb 0.28 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.93 2dnx h LEU 49 CO 0.00 0.33 0.82 1.56 0.09 0.00 0.00 178.44 181.24 2dnx h GLN 50 N -0.48 0.18 -0.22 1.13 4.20 -1.49 1.62 115.11 120.04 2dnx h GLN 50 Ca 0.00 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 2dnx h GLN 50 Cb 0.19 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2dnx h GLN 50 CO 0.00 0.12 -0.44 1.05 -0.67 0.00 0.00 178.83 178.88 2dnx h GLU 51 N 0.18 0.56 -0.10 1.46 -0.00 -1.31 -3.03 114.58 112.33 2dnx h GLU 51 Ca 0.69 -0.30 -0.08 0.00 -0.00 0.00 0.00 59.36 59.67 2dnx h GLU 51 Cb 2.18 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.95 2dnx h GLU 51 CO -0.26 0.89 -0.25 -0.91 -0.00 0.00 0.00 179.01 178.48 2dnx h ASN 52 N 0.45 0.39 -0.84 3.06 4.21 0.22 -1.96 115.58 121.11 2dnx h ASN 52 Ca 0.03 -0.58 0.19 0.00 1.21 0.00 0.00 56.30 57.14 2dnx h ASN 52 Cb 0.95 -0.11 -0.16 0.00 -1.12 0.00 0.00 38.32 37.88 2dnx h ASN 52 CO 0.09 0.91 -0.12 -0.07 -1.29 0.00 0.00 177.43 176.95 2dnx h LEU 53 N -0.10 -0.62 -0.71 1.61 3.38 -0.50 1.84 115.31 120.21 2dnx h LEU 53 Ca -0.00 0.24 -0.14 0.00 0.09 0.00 0.00 57.88 58.07 2dnx h LEU 53 Cb 0.86 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2dnx h LEU 53 CO 0.05 -0.26 -0.53 1.56 0.09 0.00 0.00 178.44 179.35 2dnx h GLN 54 N 0.03 0.32 0.00 1.13 4.20 -1.51 -0.12 115.11 119.17 2dnx h GLN 54 Ca 0.44 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2dnx h GLN 54 Cb 0.74 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2dnx h GLN 54 CO -0.82 0.77 0.00 0.00 -0.67 0.00 0.00 178.83 178.11 2dnx n GLN 55 N -3.94 0.23 -0.06 1.46 10.64 0.38 -0.83 117.38 125.26 2dnx n GLN 55 Ca -0.02 0.33 -0.14 0.00 -1.83 0.00 0.00 57.00 55.35 2dnx n GLN 55 Cb 0.57 -1.85 -0.14 0.00 -0.86 0.00 0.00 30.24 27.95 2dnx n GLN 55 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2dnx n LEU 56 N -2.28 1.46 -0.04 2.61 4.77 0.53 -3.40 117.00 120.65 2dnx n LEU 56 Ca 0.04 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 56.03 2dnx n LEU 56 Cb 0.32 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 2dnx n LEU 56 CO 0.25 0.63 0.48 1.56 -1.33 0.00 0.00 177.39 178.99 2dnx h GLN 57 N 0.02 0.05 0.69 3.23 4.20 -0.87 -2.99 115.11 119.43 2dnx h GLN 57 Ca -0.45 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.19 2dnx h GLN 57 Cb 2.06 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.85 2dnx h GLN 57 CO 0.04 0.79 -0.43 1.25 -0.67 0.00 0.00 178.83 179.80 2dnx h HIS 58 N -0.67 -1.15 -0.93 2.96 2.76 -1.19 0.66 115.15 117.59 2dnx h HIS 58 Ca -0.01 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.35 2dnx h HIS 58 Cb 0.81 0.41 -0.18 0.00 1.55 0.00 0.00 27.41 30.01 2dnx h HIS 58 CO 0.18 -0.65 -0.17 0.77 -1.30 0.00 0.00 177.93 176.76 2dnx h SER 59 N -1.06 -0.77 0.10 3.26 0.02 -1.68 0.25 113.55 113.67 2dnx h SER 59 Ca -0.09 0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2dnx h SER 59 Cb 0.86 0.55 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2dnx h SER 59 CO 0.08 -0.31 -0.05 0.74 -1.14 0.00 0.00 176.83 176.16 2dnx h THR 60 N 0.01 1.10 -0.91 -2.27 2.02 -1.30 -1.65 112.91 109.91 2dnx h THR 60 Ca 0.47 -0.78 0.15 0.00 0.77 0.00 0.00 66.41 67.02 2dnx h THR 60 Cb 0.78 1.59 -0.15 0.00 -1.74 0.00 0.00 68.15 68.62 2dnx h THR 60 CO -0.93 0.19 -0.35 -1.13 0.37 0.00 0.00 175.52 173.66 2dnx h ASN 61 N -0.50 -1.29 0.85 4.18 -0.73 0.35 0.24 115.58 118.68 2dnx h ASN 61 Ca -0.01 0.29 -0.04 0.00 1.87 0.00 0.00 56.30 58.41 2dnx h ASN 61 Cb 0.41 0.69 0.01 0.00 0.27 0.00 0.00 38.32 39.70 2dnx h ASN 61 CO 0.02 -0.30 -0.41 1.56 -0.37 0.00 0.00 177.43 177.94 2dnx h GLN 62 N -0.03 -1.10 -0.92 6.67 1.08 -0.82 -2.16 115.11 117.82 2dnx h GLN 62 Ca 0.34 0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.71 2dnx h GLN 62 Cb 0.60 0.25 -0.12 0.00 -0.05 0.00 0.00 27.48 28.16 2dnx h GLN 62 CO -0.93 -0.72 -0.50 1.28 -0.95 0.00 0.00 178.83 177.01 2dnx n LEU 63 N -5.56 -0.89 -0.12 1.46 4.77 -0.06 0.71 117.00 117.30 2dnx n LEU 63 Ca -0.15 1.64 -0.08 0.00 -0.03 0.00 0.00 56.01 57.39 2dnx n LEU 63 Cb 0.45 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2dnx n LEU 63 CO 0.38 -1.37 0.63 0.00 -1.33 0.00 0.00 177.39 175.70 2dnx h ALA 64 N 0.66 -0.23 -0.66 -1.18 0.00 -0.53 0.46 119.26 117.78 2dnx h ALA 64 Ca 0.19 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.32 2dnx h ALA 64 Cb 0.42 0.75 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 2dnx h ALA 64 CO -0.88 -0.75 -0.20 0.87 0.00 0.00 0.00 179.25 178.28 2dnx h LYS 65 N -0.27 -0.03 -0.47 0.00 1.57 0.96 0.29 116.57 118.61 2dnx h LYS 65 Ca 0.17 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2dnx h LYS 65 Cb 0.55 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 2dnx h LYS 65 CO -0.55 -0.02 0.31 0.93 -0.57 0.00 0.00 179.45 179.54 2dnx h GLU 66 N -0.04 0.60 -0.16 3.15 5.08 0.17 -1.65 114.58 121.73 2dnx h GLU 66 Ca 0.31 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.68 2dnx h GLU 66 Cb 0.51 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 2dnx h GLU 66 CO -0.69 0.40 -0.39 1.15 -1.00 0.00 0.00 179.01 178.48 2dnx h THR 67 N 0.62 0.19 -0.91 1.13 2.02 0.33 0.80 112.91 117.09 2dnx h THR 67 Ca 0.18 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.47 2dnx h THR 67 Cb -0.05 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 66.48 2dnx h THR 67 CO -0.05 0.00 0.59 -1.13 0.37 0.00 0.00 175.52 175.30 2dnx h ASN 68 N -0.44 0.78 -0.53 4.18 -0.73 -0.79 1.48 115.58 119.53 2dnx h ASN 68 Ca 0.09 0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.19 2dnx h ASN 68 Cb 0.60 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 2dnx h ASN 68 CO -0.40 0.43 -0.05 -0.33 -0.37 0.00 0.00 177.43 176.70 2dnx h GLU 69 N 0.84 1.00 -0.04 6.67 5.08 0.19 -1.86 114.58 126.46 2dnx h GLU 69 Ca 0.44 -0.33 -0.26 0.00 -1.00 0.00 0.00 59.36 58.21 2dnx h GLU 69 Cb 0.52 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.71 2dnx h GLU 69 CO -0.20 1.01 -0.97 -0.07 -1.00 0.00 0.00 179.01 177.77 2dnx h LEU 70 N 0.90 0.91 -2.20 1.33 3.38 0.28 -1.66 115.31 118.25 2dnx h LEU 70 Ca 0.15 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2dnx h LEU 70 Cb 0.60 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2dnx h LEU 70 CO 0.04 1.50 0.00 -0.07 0.09 0.00 0.00 178.44 179.99 2dnx h LEU 71 N 0.43 0.00 0.06 1.67 3.38 0.21 0.70 115.31 121.76 2dnx h LEU 71 Ca -0.11 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.51 2dnx h LEU 71 Cb 1.62 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.33 2dnx h LEU 71 CO 0.19 0.00 -2.02 2.29 0.09 0.00 0.00 178.44 178.99 2dnx n LYS 72 N -2.76 0.70 0.19 1.13 2.85 -0.72 -3.78 118.16 115.78 2dnx n LYS 72 Ca -0.02 0.23 0.08 0.00 -1.05 0.00 0.00 58.31 57.55 2dnx n LYS 72 Cb 0.09 -1.69 0.25 0.00 -0.65 0.00 0.00 35.03 33.04 2dnx n LYS 72 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2dnx h GLU 73 N 0.04 0.00 0.40 -1.58 4.11 -0.14 -2.63 114.58 114.78 2dnx h GLU 73 Ca -0.42 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.99 2dnx h GLU 73 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2dnx h GLU 73 CO 0.06 0.28 -0.19 -0.07 0.07 0.00 0.00 179.01 179.16 2dnx h LEU 74 N 0.00 -0.45 -2.68 3.06 3.38 0.19 -2.86 115.31 115.95 2dnx h LEU 74 Ca -0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2dnx h LEU 74 Cb 1.02 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2dnx h LEU 74 CO 0.04 -0.22 0.05 1.23 0.09 0.00 0.00 178.44 179.63 2dnx h GLY 75 N -0.72 0.00 1.00 0.83 0.00 -1.65 -1.03 103.07 101.49 2dnx h GLY 75 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2dnx h GLY 75 CO 0.09 0.00 0.26 0.23 0.00 0.00 0.00 176.54 177.12 2dnx h SER 76 N 0.00 0.83 -2.35 0.19 0.87 -1.34 -3.44 113.55 108.31 2dnx h SER 76 Ca 0.01 -0.16 -0.56 0.00 -1.23 0.00 0.00 61.79 59.85 2dnx h SER 76 Cb 0.12 -0.21 0.22 0.00 -0.44 0.00 0.00 62.40 62.08 2dnx h SER 76 CO -0.00 0.76 -1.34 0.18 -0.53 0.00 0.00 176.83 175.90 2dnx n LEU 77 N -4.47 -3.81 0.00 2.23 4.77 -0.39 -4.96 117.00 110.36 2dnx n LEU 77 Ca 0.04 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2dnx n LEU 77 Cb 0.15 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 2dnx n LEU 77 CO 0.39 -5.05 0.00 -0.81 -1.33 0.00 0.00 177.39 170.58 2dnx n PRO 78 N 1.29 0.28 -5.10 3.23 -0.04 -1.26 -5.06 135.00 128.34 2dnx n PRO 78 Ca 0.03 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.18 2dnx n PRO 78 Cb 0.53 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.84 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 2.18 0.53 1.53 1.43 -1.26 -5.10 118.68 117.99 2dnx s LEU 79 Ca 0.00 -0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 2dnx s LEU 79 Cb 0.00 -1.35 -0.07 0.00 0.03 0.00 0.00 46.19 44.80 2dnx s LEU 79 CO 0.00 0.30 1.04 -2.16 0.23 0.00 0.00 176.35 175.76 2dnx s PRO 80 N -0.88 3.62 0.39 1.29 0.04 -1.26 -4.91 135.00 133.28 2dnx s PRO 80 Ca 0.11 1.27 0.18 0.00 0.04 0.00 0.00 61.00 62.60 2dnx s PRO 80 Cb -0.10 -2.07 1.10 0.00 0.04 0.00 0.00 34.50 33.47 2dnx s PRO 80 CO 0.01 -0.57 1.75 -0.07 0.04 0.00 0.00 177.00 178.15 2dnx h LEU 81 N 1.08 0.47-10.00 -3.56 -0.00 -2.02 -3.39 115.31 97.89 2dnx h LEU 81 Ca -0.48 0.10 -0.50 0.00 -0.00 0.00 0.00 57.88 57.00 2dnx h LEU 81 Cb 1.22 0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.88 2dnx h LEU 81 CO 0.59 0.05 0.08 -0.44 -0.00 0.00 0.00 178.44 178.72 2dnx s SER 82 N -5.16 6.78 -0.02 -0.43 0.01 -1.26 -4.99 113.70 108.62 2dnx s SER 82 Ca -0.09 1.27 0.04 0.00 1.31 0.00 0.00 55.95 58.48 2dnx s SER 82 Cb 0.26 -2.37 -0.25 0.00 0.21 0.00 0.00 66.02 63.88 2dnx s SER 82 CO 0.80 -0.18 0.74 0.74 0.41 0.00 0.00 173.24 175.74 2dnx h THR 83 N 2.02 0.99 -1.01 1.44 2.02 -2.00 -3.28 112.91 113.09 2dnx h THR 83 Ca -0.48 -2.75 0.26 0.00 0.77 0.00 0.00 66.41 64.22 2dnx h THR 83 Cb 1.18 2.58 -0.07 0.00 -1.74 0.00 0.00 68.15 70.10 2dnx h THR 83 CO 0.66 0.71 0.68 -1.28 0.37 0.00 0.00 175.52 176.65 2dnx h SER 84 N 0.03 0.26 1.17 4.18 0.87 -1.94 1.01 113.55 119.14 2dnx h SER 84 Ca -0.27 0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.20 2dnx h SER 84 Cb 1.99 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.93 2dnx h SER 84 CO 0.11 0.07 -0.87 -0.33 -0.53 0.00 0.00 176.83 175.28 2dnx h GLU 85 N 0.24 0.00 -0.40 2.24 4.39 -1.94 -3.08 114.58 116.04 2dnx h GLU 85 Ca 0.53 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.18 2dnx h GLU 85 Cb 1.61 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.24 2dnx h GLU 85 CO -0.16 0.47 0.04 1.96 -1.16 0.00 0.00 179.01 180.16 2dnx h GLN 86 N 0.00 0.61 0.14 2.33 4.20 0.97 -1.22 115.11 122.14 2dnx h GLN 86 Ca -0.06 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 2dnx h GLN 86 Cb 1.49 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.18 2dnx h GLN 86 CO 0.06 0.61 -0.07 0.00 -0.67 0.00 0.00 178.83 178.76 2dnx h ARG 87 N 0.59 -0.18 -1.20 1.46 3.08 -1.36 -3.03 114.38 113.75 2dnx h ARG 87 Ca 0.13 0.01 0.34 0.00 0.07 0.00 0.00 59.98 60.53 2dnx h ARG 87 Cb 0.31 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 2dnx h ARG 87 CO 0.01 0.04 0.85 1.96 -1.07 0.00 0.00 179.97 181.75 2dnx h GLN 88 N -1.02 0.07 0.15 0.04 4.20 -1.53 1.01 115.11 118.04 2dnx h GLN 88 Ca -0.02 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2dnx h GLN 88 Cb 0.30 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2dnx h GLN 88 CO 0.03 0.05 -0.07 1.96 -0.67 0.00 0.00 178.83 180.13 2dnx h GLN 89 N 0.08 -0.19 -0.98 1.46 4.20 -1.26 -1.47 115.11 116.94 2dnx h GLN 89 Ca 0.60 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.37 2dnx h GLN 89 Cb 2.21 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 29.97 2dnx h GLN 89 CO -0.08 -0.13 0.64 0.07 -0.67 0.00 0.00 178.83 178.66 2dnx h ARG 90 N -0.25 1.17 -0.27 1.46 0.11 -1.17 -1.98 114.38 113.44 2dnx h ARG 90 Ca -0.02 -0.07 0.06 0.00 0.10 0.00 0.00 59.98 60.05 2dnx h ARG 90 Cb 0.15 -0.26 -0.07 0.00 1.11 0.00 0.00 29.97 30.90 2dnx h ARG 90 CO 0.03 0.77 -0.18 -0.07 0.10 0.00 0.00 179.97 180.63 2dnx h LEU 91 N 1.20 -0.58 0.47 0.08 3.38 0.98 0.58 115.31 121.41 2dnx h LEU 91 Ca 0.40 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.48 2dnx h LEU 91 Cb 0.07 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2dnx h LEU 91 CO -0.14 -0.22 -0.36 1.56 0.09 0.00 0.00 178.44 179.38 2dnx h GLN 92 N -0.16 -0.76 -0.62 1.13 1.08 -0.55 -1.21 115.11 114.02 2dnx h GLN 92 Ca 0.15 0.05 0.11 0.00 -1.45 0.00 0.00 58.65 57.51 2dnx h GLN 92 Cb 0.38 0.17 -0.12 0.00 -0.05 0.00 0.00 27.48 27.87 2dnx h GLN 92 CO -0.37 -0.51 -0.31 -0.22 -0.95 0.00 0.00 178.83 176.47 2dnx h LYS 93 N -0.79 -0.13 -0.69 1.46 3.64 -1.10 0.47 116.57 119.43 2dnx h LYS 93 Ca -0.06 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.46 2dnx h LYS 93 Cb 0.66 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.38 2dnx h LYS 93 CO 0.02 -0.09 -0.27 0.93 -2.27 0.00 0.00 179.45 177.77 2dnx h GLU 94 N -0.13 -0.08 -0.63 1.90 4.39 0.41 1.19 114.58 121.63 2dnx h GLU 94 Ca 0.25 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 2dnx h GLU 94 Cb 0.55 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 2dnx h GLU 94 CO -0.69 -0.05 0.23 0.00 -1.16 0.00 0.00 179.01 177.34 2dnx h ARG 95 N -0.08 0.96 -0.64 2.33 2.47 0.53 -1.80 114.38 118.17 2dnx h ARG 95 Ca 0.30 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2dnx h ARG 95 Cb 0.55 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 2dnx h ARG 95 CO -0.74 0.83 0.41 -0.07 0.56 0.00 0.00 179.97 180.96 2dnx h LEU 96 N 0.90 0.74 -1.28 3.04 3.38 0.34 1.10 115.31 123.53 2dnx h LEU 96 Ca 0.21 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2dnx h LEU 96 Cb 0.24 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2dnx h LEU 96 CO -0.01 0.54 0.47 0.24 0.09 0.00 0.00 178.44 179.77 2dnx h MET 97 N 0.86 0.96 0.05 1.13 2.86 0.16 1.19 114.93 122.15 2dnx h MET 97 Ca 0.23 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.71 2dnx h MET 97 Cb -0.09 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 31.37 2dnx h MET 97 CO -0.05 0.64 -0.43 -0.91 1.06 0.00 0.00 176.91 177.22 2dnx h ASN 98 N 0.98 0.29 -0.09 1.22 2.35 -0.47 -3.03 115.58 116.84 2dnx h ASN 98 Ca 0.26 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 55.12 2dnx h ASN 98 Cb -0.10 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 2dnx h ASN 98 CO -0.06 1.16 0.06 0.44 -1.65 0.00 0.00 177.43 177.38 2dnx h ASP 99 N -0.53 0.11 -0.65 5.81 3.32 0.15 -1.37 116.42 123.27 2dnx h ASP 99 Ca -0.07 -0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.15 2dnx h ASP 99 Cb 1.27 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 2dnx h ASP 99 CO 0.08 0.09 0.46 0.15 -1.72 0.00 0.00 179.24 178.31 2dnx h PHE 100 N 0.11 0.02 0.31 4.55 3.57 0.13 -1.52 116.94 124.12 2dnx h PHE 100 Ca 0.03 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2dnx h PHE 100 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2dnx h PHE 100 CO -0.07 0.01 -0.15 1.03 -2.23 0.00 0.00 178.31 176.90 2dnx h SER 101 N 0.02 -0.35 -0.99 0.41 0.87 -1.14 0.35 113.55 112.72 2dnx h SER 101 Ca 0.31 -0.19 0.29 0.00 -1.23 0.00 0.00 61.79 60.98 2dnx h SER 101 Cb 1.21 0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 63.11 2dnx h SER 101 CO -0.01 0.10 0.53 0.00 -0.53 0.00 0.00 176.83 176.93 2dnx h ALA 102 N -0.53 1.83 -0.15 6.23 0.00 -0.62 1.45 119.26 127.48 2dnx h ALA 102 Ca -0.04 0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 2dnx h ALA 102 Cb 0.51 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2dnx h ALA 102 CO 0.07 -0.49 -0.70 0.00 0.00 0.00 0.00 179.25 178.12 2dnx h ALA 103 N 1.82 0.49 0.85 0.00 0.00 -1.34 -2.90 119.26 118.18 2dnx h ALA 103 Ca 0.69 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2dnx h ALA 103 Cb 1.51 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.26 2dnx h ALA 103 CO -0.58 0.71 -0.41 1.25 0.00 0.00 0.00 179.25 180.22 2dnx h LEU 104 N 0.44 -0.97 -0.95 0.00 5.85 0.38 -2.67 115.31 117.39 2dnx h LEU 104 Ca -0.03 0.03 0.28 0.00 0.84 0.00 0.00 57.88 59.00 2dnx h LEU 104 Cb 1.30 0.25 -0.17 0.00 0.37 0.00 0.00 40.66 42.41 2dnx h LEU 104 CO 0.14 -0.61 0.16 -1.13 -0.34 0.00 0.00 178.44 176.65 2dnx h ASN 105 N -1.31 -0.22 0.06 1.25 -0.73 0.50 0.25 115.58 115.37 2dnx h ASN 105 Ca -0.12 0.25 0.01 0.00 1.87 0.00 0.00 56.30 58.31 2dnx h ASN 105 Cb 0.88 0.39 -0.04 0.00 0.27 0.00 0.00 38.32 39.82 2dnx h ASN 105 CO 0.19 -0.31 -0.38 -1.13 -0.37 0.00 0.00 177.43 175.44 2dnx h ASN 106 N 0.07 -1.15 -0.71 1.15 -0.73 -1.29 0.30 115.58 113.23 2dnx h ASN 106 Ca 0.62 0.12 0.15 0.00 1.87 0.00 0.00 56.30 59.06 2dnx h ASN 106 Cb 1.33 0.43 -0.12 0.00 0.27 0.00 0.00 38.32 40.22 2dnx h ASN 106 CO -0.82 -0.39 -0.03 0.15 -0.37 0.00 0.00 177.43 175.97 2dnx h PHE 107 N -0.52 -0.11 0.47 0.67 3.57 -0.24 0.11 116.94 120.88 2dnx h PHE 107 Ca -0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2dnx h PHE 107 Cb 0.53 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2dnx h PHE 107 CO -0.43 -0.23 -0.47 1.96 -2.23 0.00 0.00 178.31 176.91 2dnx h GLN 108 N 0.08 -0.91 -0.03 1.11 4.20 -0.30 1.37 115.11 120.63 2dnx h GLN 108 Ca 0.37 0.06 0.01 0.00 0.06 0.00 0.00 58.65 59.15 2dnx h GLN 108 Cb 0.63 0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 2dnx h GLN 108 CO -0.64 -0.61 0.30 0.00 -0.67 0.00 0.00 178.83 177.21 2dnx h ALA 109 N -0.71 1.36 0.02 3.87 0.00 0.70 0.84 119.26 125.35 2dnx h ALA 109 Ca -0.05 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 2dnx h ALA 109 Cb 0.83 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2dnx h ALA 109 CO -0.06 -0.31 -1.73 0.28 0.00 0.00 0.00 179.25 177.42 2dnx h VAL 110 N 0.00 0.84 -0.25 0.00 2.07 0.18 -3.05 116.25 116.04 2dnx h VAL 110 Ca 0.02 -2.67 -0.13 0.00 0.82 0.00 0.00 66.70 64.74 2dnx h VAL 110 Cb 0.61 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 2dnx h VAL 110 CO -0.00 0.57 -0.37 0.06 0.02 0.00 0.00 177.57 177.85 2dnx h GLN 111 N 0.01 0.56 0.00 1.57 3.07 0.86 -0.16 115.11 121.03 2dnx h GLN 111 Ca -0.30 -0.27 -0.19 0.00 0.09 0.00 0.00 58.65 57.98 2dnx h GLN 111 Cb 2.01 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.55 2dnx h GLN 111 CO 0.08 0.85 -0.87 0.07 0.09 0.00 0.00 178.83 179.06 2dnx h ARG 112 N 0.47 0.14 0.00 0.06 -0.00 -1.02 -2.70 114.38 111.33 2dnx h ARG 112 Ca 0.05 -0.16 -0.07 0.00 -0.00 0.00 0.00 59.98 59.80 2dnx h ARG 112 Cb 0.86 0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.87 2dnx h ARG 112 CO 0.07 0.92 -0.34 0.00 -0.00 0.00 0.00 179.97 180.62 2dnx h ARG 113 N 0.08 0.00 0.07 0.08 3.08 -1.39 -2.96 114.38 113.34 2dnx h ARG 113 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2dnx h ARG 113 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.55 2dnx h ARG 113 CO 0.13 0.34 -0.03 0.28 -1.07 0.00 0.00 179.97 179.62 2dnx h VAL 114 N 0.00 0.00 -0.96 2.04 2.07 -0.93 -2.73 116.25 115.74 2dnx h VAL 114 Ca -0.00 -0.16 0.24 0.00 0.82 0.00 0.00 66.70 67.59 2dnx h VAL 114 Cb 1.08 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.67 2dnx h VAL 114 CO 0.04 0.00 -0.05 0.28 0.02 0.00 0.00 177.57 177.86 2dnx h SER 115 N -0.26 -0.59 -0.73 0.57 0.02 -1.60 1.38 113.55 112.34 2dnx h SER 115 Ca -0.01 0.28 0.09 0.00 -0.84 0.00 0.00 61.79 61.31 2dnx h SER 115 Cb 0.07 0.51 -0.07 0.00 0.14 0.00 0.00 62.40 63.05 2dnx h SER 115 CO 0.02 -0.33 0.37 -0.33 -1.14 0.00 0.00 176.83 175.42 2dnx h GLU 116 N 0.02 0.61 0.08 3.45 5.08 -1.62 0.43 114.58 122.63 2dnx h GLU 116 Ca 0.54 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 2dnx h GLU 116 Cb 1.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2dnx h GLU 116 CO -0.92 0.40 -0.08 0.87 -1.00 0.00 0.00 179.01 178.28 2dnx h LYS 117 N 0.63 -0.18 0.00 2.33 1.79 0.21 0.39 116.57 121.74 2dnx h LYS 117 Ca 0.36 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2dnx h LYS 117 Cb 0.36 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2dnx h LYS 117 CO -0.26 -0.12 0.00 0.93 -1.08 0.00 0.00 179.45 178.92 2dnx h GLU 118 N -0.19 0.00 0.02 3.15 4.39 -0.23 -1.30 114.58 120.42 2dnx h GLU 118 Ca 0.01 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 2dnx h GLU 118 Cb 0.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2dnx h GLU 118 CO -0.03 0.00 -0.36 0.87 -1.16 0.00 0.00 179.01 178.34 2dnx h LYS 119 N 0.00 0.03 0.00 2.33 1.57 0.17 -3.22 116.57 117.45 2dnx h LYS 119 Ca 0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2dnx h LYS 119 Cb 0.26 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2dnx h LYS 119 CO 0.00 1.03 -0.14 0.93 -0.57 0.00 0.00 179.45 180.70 2dnx h GLU 120 N -0.92 0.00 -0.29 3.15 5.08 0.06 -2.35 114.58 119.31 2dnx h GLU 120 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2dnx h GLU 120 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2dnx h GLU 120 CO -0.02 0.14 0.16 0.77 -1.00 0.00 0.00 179.01 179.06 2dnx h SER 121 N 0.00 0.37 -0.16 1.42 0.02 -1.34 -0.92 113.55 112.95 2dnx h SER 121 Ca -0.00 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 2dnx h SER 121 Cb 0.26 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2dnx h SER 121 CO 0.02 0.34 0.19 0.40 -1.14 0.00 0.00 176.83 176.64 2dnx h ILE 122 N 0.36 0.43 -0.31 3.27 2.04 -1.43 0.57 117.51 122.44 2dnx h ILE 122 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 2dnx h ILE 122 Cb 0.06 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2dnx h ILE 122 CO -0.02 0.00 0.10 0.00 0.00 0.00 0.00 178.15 178.23 2dnx h ALA 123 N 1.77 0.40 0.00 1.87 0.00 -1.10 -3.46 119.26 118.73 2dnx h ALA 123 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dnx h ALA 123 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2dnx h ALA 123 CO -0.00 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.82 2dnx n ARG 124 N -4.69 0.00 -1.38 0.00 5.12 0.15 -4.98 116.66 110.87 2dnx n ARG 124 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 2dnx n ARG 124 Cb 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.46 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 -3.13 -1.85 0.00 0.55 2.88 -0.91 -3.55 113.62 107.61 2dnx n SER 125 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2dnx n SER 125 Cb 0.00 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 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 -0.84 0.85 3.56 0.46 0.00 -1.26 -3.55 105.19 104.40 2dnx n GLY 126 Ca 0.00 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 3.00 0.21 1.61 0.04 -1.26 -4.14 135.00 134.46 2dnx s PRO 127 Ca 0.00 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 60.76 2dnx s PRO 127 Cb 0.00 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.78 2dnx s PRO 127 CO 0.00 -2.61 0.00 0.43 0.04 0.00 0.00 177.00 174.86 2dnx n SER 128 N 11.21 -1.90 -2.08 6.66 7.64 -1.23 -5.12 113.62 128.80 2dnx n SER 128 Ca 0.24 0.46 -0.01 0.00 1.01 0.00 0.00 58.87 60.58 2dnx n SER 128 Cb 0.50 1.99 0.00 0.00 -1.01 0.00 0.00 64.21 65.69 2dnx n SER 128 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dnx n SER 129 N -2.88 -4.83 0.00 6.43 2.88 -1.23 -5.12 113.62 108.86 2dnx n SER 129 Ca 0.00 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 2dnx n SER 129 Cb 0.00 -3.05 0.00 0.00 -0.75 0.00 0.00 64.21 60.41 2dnx n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42