#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnx s SER 2 N 0.00 2.75 0.43 1.61 0.15 -1.26 -5.11 113.70 112.27 2dnx s SER 2 Ca 0.00 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.20 2dnx s SER 2 Cb 0.00 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2dnx s SER 2 CO 0.00 -0.38 0.00 -1.20 1.20 0.00 0.00 173.24 172.86 2dnx n SER 3 N 4.83 -7.43 0.00 5.45 7.64 -1.26 -4.79 113.62 118.07 2dnx n SER 3 Ca 0.01 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2dnx n SER 3 Cb 0.42 -4.04 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 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 -4.06 3.60 3.25 0.23 0.00 -1.26 -4.85 105.19 102.10 2dnx n GLY 4 Ca -0.04 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.28 -0.06 -0.14 1.61 1.04 -1.26 -5.01 113.70 109.60 2dnx s SER 5 Ca 0.00 -0.36 -0.11 0.00 0.48 0.00 0.00 55.95 55.96 2dnx s SER 5 Cb 0.00 0.37 -0.06 0.00 0.10 0.00 0.00 66.02 66.43 2dnx s SER 5 CO 0.00 -0.69 -0.24 -1.20 0.98 0.00 0.00 173.24 172.09 2dnx n SER 6 N 0.23 1.49 0.00 7.02 7.64 -1.26 -5.03 113.62 123.71 2dnx n SER 6 Ca -0.17 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2dnx n SER 6 Cb 0.61 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.99 -0.07 2.53 0.23 0.00 -1.26 -5.02 105.19 103.59 2dnx n GLY 7 Ca -0.23 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 2dnx n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dnx n GLN 8 N 0.00 1.08 -2.79 1.61 10.64 -1.26 -5.12 117.38 121.54 2dnx n GLN 8 Ca 0.00 -2.93 -0.27 0.00 -1.83 0.00 0.00 57.00 51.97 2dnx n GLN 8 Cb 0.00 -1.18 -0.01 0.00 -0.86 0.00 0.00 30.24 28.20 2dnx n GLN 8 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2dnx s LEU 9 N -2.83 3.73 -0.81 2.61 2.01 -1.26 -4.95 118.68 117.17 2dnx s LEU 9 Ca 0.30 0.89 -0.08 0.00 0.01 0.00 0.00 54.13 55.24 2dnx s LEU 9 Cb 0.40 -3.81 -0.17 0.00 0.01 0.00 0.00 46.19 42.62 2dnx s LEU 9 CO -0.03 -0.50 3.27 0.54 1.01 0.00 0.00 176.35 180.65 2dnx n ARG 10 N -1.99 2.88 -2.46 1.70 1.74 -1.26 -4.64 116.66 112.64 2dnx n ARG 10 Ca 0.00 -1.66 -0.32 0.00 -0.77 0.00 0.00 57.85 55.11 2dnx n ARG 10 Cb 0.55 -2.40 -0.03 0.00 -1.02 0.00 0.00 32.46 29.56 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 2.01 6.58 0.22 0.55 1.11 -1.26 -4.71 116.67 121.17 2dnx s ASP 11 Ca 0.68 1.47 -0.18 0.00 0.18 0.00 0.00 52.55 54.71 2dnx s ASP 11 Cb 0.25 -2.47 0.23 0.00 1.07 0.00 0.00 42.92 42.00 2dnx s ASP 11 CO -0.04 -0.57 1.56 0.15 1.18 0.00 0.00 175.17 177.46 2dnx h PHE 12 N 0.91 -1.01 -0.47 4.23 3.57 -1.97 1.61 116.94 123.81 2dnx h PHE 12 Ca -0.47 0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 2dnx h PHE 12 Cb 1.19 0.58 -0.02 0.00 2.79 0.00 0.00 35.95 40.48 2dnx h PHE 12 CO 0.63 -0.40 0.23 0.77 -2.23 0.00 0.00 178.31 177.31 2dnx h SER 13 N -0.03 0.58 -0.16 0.41 0.02 -1.88 1.50 113.55 113.97 2dnx h SER 13 Ca 0.33 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 61.08 2dnx h SER 13 Cb 0.60 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2dnx h SER 13 CO -0.93 0.49 -0.47 0.28 -1.14 0.00 0.00 176.83 175.06 2dnx h SER 14 N 0.65 0.79 0.10 3.07 0.02 0.14 0.15 113.55 118.48 2dnx h SER 14 Ca 0.17 -0.39 -0.28 0.00 -0.84 0.00 0.00 61.79 60.45 2dnx h SER 14 Cb 0.06 -0.22 0.03 0.00 0.14 0.00 0.00 62.40 62.40 2dnx h SER 14 CO -0.02 1.13 -1.16 0.40 -1.14 0.00 0.00 176.83 176.03 2dnx h ILE 15 N 0.58 1.30 0.11 3.27 2.04 0.24 -2.93 117.51 122.13 2dnx h ILE 15 Ca 0.03 -2.42 -0.01 0.00 1.00 0.00 0.00 64.86 63.47 2dnx h ILE 15 Cb 1.03 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 2dnx h ILE 15 CO 0.10 0.73 -0.05 0.40 0.00 0.00 0.00 178.15 179.33 2dnx h ILE 16 N 0.22 0.00 -0.91 -0.67 2.04 0.21 -0.37 117.51 118.03 2dnx h ILE 16 Ca -0.18 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 65.80 2dnx h ILE 16 Cb 1.84 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.77 2dnx h ILE 16 CO 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 178.04 2dnx n GLN 17 N -2.48 -0.20 -0.25 2.37 6.02 0.53 0.19 117.38 123.57 2dnx n GLN 17 Ca -0.02 1.40 0.00 0.00 -0.01 0.00 0.00 57.00 58.38 2dnx n GLN 17 Cb 0.06 -2.08 0.13 0.00 1.02 0.00 0.00 30.24 29.36 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 0.92 0.74 5.09 2.02 -1.53 -0.80 112.91 119.35 2dnx h THR 18 Ca 0.33 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 2dnx h THR 18 Cb 0.56 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2dnx h THR 18 CO -0.91 0.13 -0.41 0.00 0.37 0.00 0.00 175.52 174.70 2dnx h SER 20 N -1.06 -1.98 -0.03 0.00 0.87 -0.15 0.25 113.55 111.44 2dnx h SER 20 Ca -0.10 0.30 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2dnx h SER 20 Cb 0.83 0.87 -0.03 0.00 -0.44 0.00 0.00 62.40 63.63 2dnx h SER 20 CO 0.13 -0.24 -0.27 1.23 -0.53 0.00 0.00 176.83 177.15 2dnx h GLY 21 N -0.06 -1.29 -0.99 5.77 0.00 -1.05 -1.73 103.07 103.72 2dnx h GLY 21 Ca 0.14 0.65 0.10 0.00 0.00 0.00 0.00 47.33 48.22 2dnx h GLY 21 CO -0.83 -0.39 -0.55 3.43 0.00 0.00 0.00 176.54 178.20 2dnx h ASN 22 N -0.32 -2.03 -0.53 0.19 2.35 0.09 0.78 115.58 116.12 2dnx h ASN 22 Ca 0.01 0.32 0.05 0.00 -0.55 0.00 0.00 56.30 56.13 2dnx h ASN 22 Cb 0.35 0.92 -0.06 0.00 0.05 0.00 0.00 38.32 39.58 2dnx h ASN 22 CO -0.20 -0.24 -0.31 -0.38 -1.65 0.00 0.00 177.43 174.65 2dnx n ILE 23 N -5.29 -0.36 -0.30 2.81 5.41 0.78 -0.38 119.36 122.03 2dnx n ILE 23 Ca 0.03 1.96 -0.08 0.00 1.00 0.00 0.00 62.75 65.67 2dnx n ILE 23 Cb 0.29 -2.49 -0.07 0.00 -0.71 0.00 0.00 39.64 36.65 2dnx n ILE 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2dnx n GLN 24 N -4.18 -0.32 -0.12 0.38 6.02 0.20 -0.13 117.38 119.24 2dnx n GLN 24 Ca 0.01 1.28 -0.09 0.00 -0.01 0.00 0.00 57.00 58.19 2dnx n GLN 24 Cb 0.14 -1.89 -0.03 0.00 1.02 0.00 0.00 30.24 29.48 2dnx n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dnx h ARG 25 N 0.00 -0.28 -0.81 -1.09 -0.00 -0.28 0.85 114.38 112.76 2dnx h ARG 25 Ca 0.11 0.02 0.16 0.00 -0.50 0.00 0.00 59.98 59.77 2dnx h ARG 25 Cb 0.29 0.06 -0.15 0.00 0.00 0.00 0.00 29.97 30.18 2dnx h ARG 25 CO -0.67 -0.19 -0.25 0.82 0.00 0.00 0.00 179.97 179.68 2dnx h ILE 26 N -0.29 0.15 -0.29 2.04 2.04 0.24 1.15 117.51 122.55 2dnx h ILE 26 Ca 0.16 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.91 2dnx h ILE 26 Cb 0.56 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2dnx h ILE 26 CO -0.55 0.00 -0.27 -1.28 0.00 0.00 0.00 178.15 176.06 2dnx h SER 27 N -0.02 0.58 0.42 1.72 0.87 0.11 -2.19 113.55 115.04 2dnx h SER 27 Ca 0.37 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 2dnx h SER 27 Cb 0.60 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2dnx h SER 27 CO -0.84 0.83 -0.20 1.56 -0.53 0.00 0.00 176.83 177.64 2dnx h GLN 28 N 0.49 -0.55 -0.94 2.24 4.20 0.80 -0.89 115.11 120.46 2dnx h GLN 28 Ca 0.07 0.04 0.24 0.00 0.06 0.00 0.00 58.65 59.06 2dnx h GLN 28 Cb 0.72 0.12 -0.13 0.00 0.30 0.00 0.00 27.48 28.50 2dnx h GLN 28 CO 0.06 -0.37 0.47 0.00 -0.67 0.00 0.00 178.83 178.32 2dnx h ALA 29 N -1.73 1.61 0.00 3.87 0.00 -0.03 1.64 119.26 124.62 2dnx h ALA 29 Ca -0.06 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dnx h ALA 29 Cb 0.44 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dnx h ALA 29 CO 0.10 -0.36 -0.00 1.15 0.00 0.00 0.00 179.25 180.14 2dnx h THR 30 N 0.43 0.92 0.14 0.00 2.02 -1.15 -0.58 112.91 114.70 2dnx h THR 30 Ca 0.61 -0.00 -0.30 0.00 0.77 0.00 0.00 66.41 67.49 2dnx h THR 30 Cb 1.20 1.00 0.02 0.00 -1.74 0.00 0.00 68.15 68.64 2dnx h THR 30 CO -0.53 0.00 -1.27 0.00 0.37 0.00 0.00 175.52 174.09 2dnx h ALA 31 N 2.00 0.02 -0.66 6.16 0.00 0.38 -2.77 119.26 124.39 2dnx h ALA 31 Ca -0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 2dnx h ALA 31 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2dnx h ALA 31 CO 0.00 0.76 0.32 1.96 0.00 0.00 0.00 179.25 182.30 2dnx h GLN 32 N 0.20 0.93 -0.26 0.00 4.20 0.31 0.71 115.11 121.20 2dnx h GLN 32 Ca -0.18 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.35 2dnx h GLN 32 Cb 1.96 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.55 2dnx h GLN 32 CO 0.23 0.71 -0.09 0.82 -0.67 0.00 0.00 178.83 179.83 2dnx h ILE 33 N 0.93 1.29 0.00 2.54 2.04 -1.19 1.52 117.51 124.63 2dnx h ILE 33 Ca 0.23 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 2dnx h ILE 33 Cb 0.08 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2dnx h ILE 33 CO -0.03 0.36 -0.39 0.11 0.00 0.00 0.00 178.15 178.20 2dnx h LYS 34 N 0.25 0.00 0.22 2.37 1.57 -1.13 0.59 116.57 120.44 2dnx h LYS 34 Ca 0.06 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.53 2dnx h LYS 34 Cb 0.58 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.92 2dnx h LYS 34 CO 0.03 0.39 -1.43 -0.97 -0.57 0.00 0.00 179.45 176.89 2dnx h ASN 35 N 0.00 0.73 1.17 0.86 -0.73 0.76 -3.22 115.58 115.14 2dnx h ASN 35 Ca -0.00 -0.93 0.00 0.00 1.87 0.00 0.00 56.30 57.24 2dnx h ASN 35 Cb 0.76 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.11 2dnx h ASN 35 CO 0.05 1.68 0.00 0.18 -0.37 0.00 0.00 177.43 178.97 2dnx n LEU 36 N -3.77 0.53 0.03 0.34 4.77 0.52 -3.55 117.00 115.86 2dnx n LEU 36 Ca -0.18 0.57 -0.01 0.00 -0.03 0.00 0.00 56.01 56.35 2dnx n LEU 36 Cb 1.05 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 2dnx n LEU 36 CO 0.56 -0.20 0.43 -0.03 -1.33 0.00 0.00 177.39 176.82 2dnx h MET 37 N 0.00 -0.07 -0.99 3.23 4.05 0.17 -2.74 114.93 118.58 2dnx h MET 37 Ca 0.00 0.00 0.23 0.00 -0.28 0.00 0.00 59.70 59.66 2dnx h MET 37 Cb 0.59 0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 31.31 2dnx h MET 37 CO 0.00 -0.05 0.64 0.77 0.23 0.00 0.00 176.91 178.50 2dnx h SER 38 N -0.09 0.51 -0.64 1.39 0.02 -1.68 0.13 113.55 113.20 2dnx h SER 38 Ca -0.01 0.07 0.13 0.00 -0.84 0.00 0.00 61.79 61.15 2dnx h SER 38 Cb 0.06 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.48 2dnx h SER 38 CO 0.01 0.15 0.08 1.56 -1.14 0.00 0.00 176.83 177.49 2dnx h GLN 39 N 0.48 0.19 -0.04 3.45 4.20 -1.59 1.13 115.11 122.93 2dnx h GLN 39 Ca 0.56 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.27 2dnx h GLN 39 Cb 1.27 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 2dnx h GLN 39 CO -0.28 0.13 0.10 -0.07 -0.67 0.00 0.00 178.83 178.04 2dnx h LEU 40 N 0.19 0.00 -6.74 1.46 3.38 -0.42 -3.18 115.31 110.00 2dnx h LEU 40 Ca 0.34 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.55 2dnx h LEU 40 Cb 0.55 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.13 2dnx h LEU 40 CO -0.48 0.00 1.78 0.61 0.09 0.00 0.00 178.44 180.43 2dnx n GLY 41 N -1.22 4.53 1.08 0.83 0.00 0.39 -4.89 105.19 105.90 2dnx n GLY 41 Ca -0.02 -2.13 -0.04 0.00 0.00 0.00 0.00 46.02 43.82 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 3.40 0.00 -2.10 2.61 -2.24 -1.20 -4.99 114.28 109.76 2dnx n THR 42 Ca 0.38 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 2dnx n THR 42 Cb 0.37 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 2dnx n THR 42 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2dnx s LYS 43 N -2.22 4.23 0.12 -0.78 2.36 -1.26 -4.74 119.74 117.46 2dnx s LYS 43 Ca 0.09 2.11 0.00 0.00 -2.55 0.00 0.00 55.97 55.61 2dnx s LYS 43 Cb -0.00 -3.67 0.00 0.00 -1.05 0.00 0.00 37.83 33.10 2dnx s LYS 43 CO 0.06 -0.68 0.00 0.94 1.55 0.00 0.00 175.35 177.22 2dnx n GLN 44 N 5.85 -0.09 -3.76 4.03 7.27 -1.26 -4.98 117.38 124.43 2dnx n GLN 44 Ca 0.15 0.06 -0.23 0.00 0.07 0.00 0.00 57.00 57.05 2dnx n GLN 44 Cb 0.43 -0.11 -0.03 0.00 2.41 0.00 0.00 30.24 32.94 2dnx n GLN 44 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2dnx s ASP 45 N -2.38 4.79 -0.14 1.69 1.11 -1.26 -4.96 116.67 115.52 2dnx s ASP 45 Ca 0.00 -0.99 -0.05 0.00 0.18 0.00 0.00 52.55 51.69 2dnx s ASP 45 Cb 0.00 -0.17 0.06 0.00 1.07 0.00 0.00 42.92 43.88 2dnx s ASP 45 CO 0.00 -0.82 0.29 -0.94 1.18 0.00 0.00 175.17 174.88 2dnx s SER 46 N -4.16 0.11 -0.18 0.27 1.04 -1.26 -5.05 113.70 104.48 2dnx s SER 46 Ca 0.42 0.66 -0.19 0.00 0.48 0.00 0.00 55.95 57.32 2dnx s SER 46 Cb -0.02 0.75 -0.16 0.00 0.10 0.00 0.00 66.02 66.69 2dnx s SER 46 CO 0.25 -0.22 0.24 0.28 0.98 0.00 0.00 173.24 174.76 2dnx h SER 47 N 8.02 0.00 -0.22 7.02 0.02 -2.00 -3.23 113.55 123.16 2dnx h SER 47 Ca -0.20 -0.48 0.06 0.00 -0.84 0.00 0.00 61.79 60.34 2dnx h SER 47 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 2dnx h SER 47 CO 0.18 1.19 0.49 0.11 -1.14 0.00 0.00 176.83 177.66 2dnx h LYS 48 N -1.00 0.00 0.00 3.45 1.79 -1.99 -1.09 116.57 117.74 2dnx h LYS 48 Ca -0.19 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2dnx h LYS 48 Cb 1.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2dnx h LYS 48 CO -0.12 0.00 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.18 2dnx h LEU 49 N 0.00 -0.00 -0.89 2.94 4.07 -1.99 -3.02 115.31 116.42 2dnx h LEU 49 Ca 0.10 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.17 2dnx h LEU 49 Cb 1.07 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.69 2dnx h LEU 49 CO -0.00 0.00 -0.49 1.56 -1.08 0.00 0.00 178.44 178.43 2dnx h GLN 50 N -0.01 -0.06 -1.20 1.13 4.20 -1.37 1.53 115.11 119.32 2dnx h GLN 50 Ca -0.00 0.00 0.35 0.00 0.06 0.00 0.00 58.65 59.06 2dnx h GLN 50 Cb 0.00 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.70 2dnx h GLN 50 CO 0.00 -0.04 0.80 1.05 -0.67 0.00 0.00 178.83 179.97 2dnx h GLU 51 N -0.07 0.19 -0.26 1.46 -0.00 -1.38 0.89 114.58 115.41 2dnx h GLU 51 Ca 0.22 -0.01 -0.07 0.00 -0.00 0.00 0.00 59.36 59.50 2dnx h GLU 51 Cb 0.51 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.21 2dnx h GLU 51 CO -0.89 0.13 -0.10 -0.97 -0.00 0.00 0.00 179.01 177.18 2dnx h ASN 52 N 0.20 0.54 -0.27 3.06 -0.73 0.23 -1.88 115.58 116.72 2dnx h ASN 52 Ca 0.67 -0.39 0.04 0.00 1.87 0.00 0.00 56.30 58.49 2dnx h ASN 52 Cb 2.10 -0.15 -0.07 0.00 0.27 0.00 0.00 38.32 40.47 2dnx h ASN 52 CO -0.26 0.81 -0.54 -0.07 -0.37 0.00 0.00 177.43 177.00 2dnx h LEU 53 N 0.27 -1.75 0.15 0.34 3.38 0.19 0.37 115.31 118.26 2dnx h LEU 53 Ca 0.06 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 2dnx h LEU 53 Cb 0.59 0.70 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2dnx h LEU 53 CO 0.03 -0.43 -0.15 1.56 0.09 0.00 0.00 178.44 179.54 2dnx h GLN 54 N -0.47 -0.29 -1.67 1.13 4.20 -1.46 0.41 115.11 116.96 2dnx h GLN 54 Ca 0.05 0.02 0.52 0.00 0.06 0.00 0.00 58.65 59.30 2dnx h GLN 54 Cb 0.62 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.36 2dnx h GLN 54 CO -0.51 -0.19 1.16 0.94 -0.67 0.00 0.00 178.83 179.56 2dnx n GLN 55 N -3.22 -0.01 -0.05 1.46 0.00 -0.71 0.19 117.38 115.04 2dnx n GLN 55 Ca -0.04 1.12 -0.13 0.00 -0.00 0.00 0.00 57.00 57.95 2dnx n GLN 55 Cb 0.14 -2.41 -0.12 0.00 0.00 0.00 0.00 30.24 27.85 2dnx n GLN 55 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2dnx h LEU 56 N 0.00 -0.00 0.08 1.69 3.38 0.89 -2.87 115.31 118.48 2dnx h LEU 56 Ca 0.89 -0.83 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2dnx h LEU 56 Cb 3.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 43.98 2dnx h LEU 56 CO -0.20 0.84 -0.35 1.56 0.09 0.00 0.00 178.44 180.38 2dnx h GLN 57 N -0.86 -0.54 -0.39 1.13 4.20 0.66 -2.21 115.11 117.09 2dnx h GLN 57 Ca -0.00 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.83 2dnx h GLN 57 Cb 0.84 0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.65 2dnx h GLN 57 CO 0.00 -0.36 -0.31 1.25 -0.67 0.00 0.00 178.83 178.74 2dnx h HIS 58 N -0.56 -0.86 -0.94 2.96 2.76 -0.77 0.73 115.15 118.47 2dnx h HIS 58 Ca 0.04 0.06 0.13 0.00 -2.20 0.00 0.00 60.37 58.40 2dnx h HIS 58 Cb 0.61 0.43 -0.15 0.00 1.55 0.00 0.00 27.41 29.86 2dnx h HIS 58 CO -0.33 -0.37 -0.43 1.03 -1.30 0.00 0.00 177.93 176.53 2dnx h SER 59 N -0.25 -1.57 -0.24 3.26 0.87 -1.18 0.33 113.55 114.78 2dnx h SER 59 Ca 0.17 0.31 -0.05 0.00 -1.23 0.00 0.00 61.79 60.99 2dnx h SER 59 Cb 0.53 0.78 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 2dnx h SER 59 CO -0.53 -0.28 -0.03 0.74 -0.53 0.00 0.00 176.83 176.20 2dnx h THR 60 N -0.03 1.27 -0.76 2.23 2.02 -0.63 -2.31 112.91 114.71 2dnx h THR 60 Ca 0.29 -0.98 0.14 0.00 0.77 0.00 0.00 66.41 66.63 2dnx h THR 60 Cb 0.56 1.44 -0.14 0.00 -1.74 0.00 0.00 68.15 68.26 2dnx h THR 60 CO -0.94 0.30 -0.27 -1.13 0.37 0.00 0.00 175.52 173.85 2dnx h ASN 61 N 0.19 -0.98 0.82 4.18 -0.73 0.39 0.34 115.58 119.78 2dnx h ASN 61 Ca 0.06 0.25 -0.04 0.00 1.87 0.00 0.00 56.30 58.44 2dnx h ASN 61 Cb 0.46 0.56 0.01 0.00 0.27 0.00 0.00 38.32 39.62 2dnx h ASN 61 CO 0.02 -0.28 -0.39 1.56 -0.37 0.00 0.00 177.43 177.96 2dnx h GLN 62 N -0.05 -1.06 -0.96 6.67 1.08 -0.45 -2.39 115.11 117.95 2dnx h GLN 62 Ca 0.33 0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.70 2dnx h GLN 62 Cb 0.58 0.24 -0.12 0.00 -0.05 0.00 0.00 27.48 28.12 2dnx h GLN 62 CO -0.80 -0.70 -0.53 1.28 -0.95 0.00 0.00 178.83 177.12 2dnx n LEU 63 N -5.06 -0.94 -0.27 1.46 4.77 -0.55 0.79 117.00 117.19 2dnx n LEU 63 Ca -0.14 1.71 -0.03 0.00 -0.03 0.00 0.00 56.01 57.52 2dnx n LEU 63 Cb 0.43 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2dnx n LEU 63 CO 0.33 -1.42 0.62 0.00 -1.33 0.00 0.00 177.39 175.59 2dnx h ALA 64 N 0.65 0.08 -0.71 -1.18 0.00 -0.32 1.33 119.26 119.12 2dnx h ALA 64 Ca 0.19 0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.47 2dnx h ALA 64 Cb 0.43 0.85 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 2dnx h ALA 64 CO -0.92 -0.63 -0.10 0.87 0.00 0.00 0.00 179.25 178.47 2dnx h LYS 65 N -0.09 0.04 -0.16 0.00 1.57 0.92 0.24 116.57 119.09 2dnx h LYS 65 Ca 0.29 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2dnx h LYS 65 Cb 0.57 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2dnx h LYS 65 CO -0.80 0.03 -0.08 0.93 -0.57 0.00 0.00 179.45 178.96 2dnx h GLU 66 N 0.04 0.33 -0.38 3.15 5.08 0.13 -2.56 114.58 120.38 2dnx h GLU 66 Ca 0.36 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 2dnx h GLU 66 Cb 0.59 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 2dnx h GLU 66 CO -0.69 0.65 -0.46 1.15 -1.00 0.00 0.00 179.01 178.66 2dnx h THR 67 N 0.00 0.08 -0.42 1.13 2.02 0.37 1.02 112.91 117.11 2dnx h THR 67 Ca 0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.29 2dnx h THR 67 Cb 0.55 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 66.98 2dnx h THR 67 CO 0.02 0.00 0.00 -1.13 0.37 0.00 0.00 175.52 174.79 2dnx h ASN 68 N -0.37 -0.17 -0.58 4.18 -0.73 -0.67 0.45 115.58 117.70 2dnx h ASN 68 Ca 0.12 0.10 0.05 0.00 1.87 0.00 0.00 56.30 58.43 2dnx h ASN 68 Cb 0.60 0.17 -0.05 0.00 0.27 0.00 0.00 38.32 39.31 2dnx h ASN 68 CO -0.56 -0.05 0.31 -0.33 -0.37 0.00 0.00 177.43 176.43 2dnx h GLU 69 N 0.11 0.57 -0.23 6.67 5.08 -0.56 -0.34 114.58 125.88 2dnx h GLU 69 Ca 0.21 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2dnx h GLU 69 Cb 0.30 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2dnx h GLU 69 CO -0.34 0.38 0.12 -0.07 -1.00 0.00 0.00 179.01 178.10 2dnx h LEU 70 N 0.59 0.28 -1.82 1.33 3.38 0.25 -1.23 115.31 118.09 2dnx h LEU 70 Ca 0.26 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.28 2dnx h LEU 70 Cb 0.16 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2dnx h LEU 70 CO -0.17 0.28 0.40 -0.07 0.09 0.00 0.00 178.44 178.97 2dnx h LEU 71 N 0.26 0.17 -0.17 1.67 3.38 0.59 0.77 115.31 121.97 2dnx h LEU 71 Ca 0.08 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2dnx h LEU 71 Cb 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2dnx h LEU 71 CO -0.01 0.10 -0.04 0.11 0.09 0.00 0.00 178.44 178.68 2dnx h LYS 72 N 0.19 0.34 -0.55 1.13 1.57 0.06 -2.88 116.57 116.43 2dnx h LYS 72 Ca 0.27 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2dnx h LYS 72 Cb 0.82 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 2dnx h LYS 72 CO -0.05 0.60 0.32 0.93 -0.57 0.00 0.00 179.45 180.68 2dnx h GLU 73 N 0.04 0.60 -0.08 3.15 5.08 -0.10 0.04 114.58 123.32 2dnx h GLU 73 Ca 0.04 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2dnx h GLU 73 Cb 0.48 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2dnx h GLU 73 CO 0.02 0.40 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.11 2dnx h LEU 74 N 0.62 -0.77 -2.79 1.33 3.38 -1.04 0.60 115.31 116.64 2dnx h LEU 74 Ca 0.23 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2dnx h LEU 74 Cb 0.07 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2dnx h LEU 74 CO -0.12 -0.21 0.05 1.23 0.09 0.00 0.00 178.44 179.48 2dnx h GLY 75 N -0.24 0.00 0.74 0.83 0.00 -1.34 -1.06 103.07 102.00 2dnx h GLY 75 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 2dnx h GLY 75 CO -0.21 0.00 -0.42 0.23 0.00 0.00 0.00 176.54 176.14 2dnx h SER 76 N 0.00 0.48 -2.20 0.19 0.87 0.17 -3.46 113.55 109.60 2dnx h SER 76 Ca 0.00 -0.67 -0.58 0.00 -1.23 0.00 0.00 61.79 59.31 2dnx h SER 76 Cb 0.09 -0.14 0.20 0.00 -0.44 0.00 0.00 62.40 62.11 2dnx h SER 76 CO 0.00 1.08 -1.27 0.18 -0.53 0.00 0.00 176.83 176.28 2dnx n LEU 77 N -4.34 -3.74 0.00 2.23 4.77 0.16 -4.96 117.00 111.13 2dnx n LEU 77 Ca -0.09 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2dnx n LEU 77 Cb 0.56 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2dnx n LEU 77 CO 0.44 -4.94 0.00 -0.81 -1.33 0.00 0.00 177.39 170.74 2dnx n PRO 78 N 1.46 0.21 -4.55 3.23 -0.04 -1.26 -5.03 135.00 129.03 2dnx n PRO 78 Ca 0.05 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 2dnx n PRO 78 Cb 0.51 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.83 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 2.15 0.23 1.53 1.43 -1.26 -5.10 118.68 117.66 2dnx s LEU 79 Ca 0.00 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.34 2dnx s LEU 79 Cb 0.00 -0.81 -0.09 0.00 0.03 0.00 0.00 46.19 45.32 2dnx s LEU 79 CO 0.00 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.63 2dnx s PRO 80 N -1.05 4.63 0.60 1.29 0.04 -1.26 -4.88 135.00 134.37 2dnx s PRO 80 Ca 0.05 1.75 0.28 0.00 0.04 0.00 0.00 61.00 63.13 2dnx s PRO 80 Cb -0.08 -3.23 1.21 0.00 0.04 0.00 0.00 34.50 32.44 2dnx s PRO 80 CO 0.01 0.16 1.59 -0.07 0.04 0.00 0.00 177.00 178.74 2dnx h LEU 81 N 4.45 0.00-10.05 -3.56 4.07 -2.02 -3.39 115.31 104.81 2dnx h LEU 81 Ca -0.45 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 56.97 2dnx h LEU 81 Cb 1.21 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.93 2dnx h LEU 81 CO 0.70 0.00 -0.25 -0.44 -1.08 0.00 0.00 178.44 177.36 2dnx s SER 82 N -4.28 6.43 -0.11 -0.43 0.01 -1.26 -5.02 113.70 109.04 2dnx s SER 82 Ca -0.03 0.56 -0.12 0.00 1.31 0.00 0.00 55.95 57.67 2dnx s SER 82 Cb 0.15 -2.08 -0.27 0.00 0.21 0.00 0.00 66.02 64.03 2dnx s SER 82 CO 0.51 -0.08 0.49 0.74 0.41 0.00 0.00 173.24 175.31 2dnx h THR 83 N 1.58 0.87 -1.59 1.44 2.02 -2.00 -3.16 112.91 112.07 2dnx h THR 83 Ca -0.47 -2.39 0.46 0.00 0.77 0.00 0.00 66.41 64.78 2dnx h THR 83 Cb 1.19 2.61 -0.06 0.00 -1.74 0.00 0.00 68.15 70.15 2dnx h THR 83 CO 0.68 0.77 1.16 -1.28 0.37 0.00 0.00 175.52 177.22 2dnx h SER 84 N -0.15 0.00 0.29 4.18 0.87 -1.95 1.42 113.55 118.20 2dnx h SER 84 Ca -0.36 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.87 2dnx h SER 84 Cb 1.89 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.82 2dnx h SER 84 CO 0.07 0.00 -1.84 -0.33 -0.53 0.00 0.00 176.83 174.20 2dnx h GLU 85 N 0.00 0.18 -0.56 2.24 4.39 -1.92 -3.24 114.58 115.67 2dnx h GLU 85 Ca 0.75 -0.30 0.09 0.00 0.34 0.00 0.00 59.36 60.24 2dnx h GLU 85 Cb 3.07 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 31.76 2dnx h GLU 85 CO -0.01 0.96 0.18 1.96 -1.16 0.00 0.00 179.01 180.94 2dnx h GLN 86 N 0.05 0.33 0.54 2.33 4.20 0.19 0.10 115.11 122.85 2dnx h GLN 86 Ca -0.36 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.31 2dnx h GLN 86 Cb 2.03 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 29.74 2dnx h GLN 86 CO 0.10 0.22 -0.26 -0.09 -0.67 0.00 0.00 178.83 178.13 2dnx h ARG 87 N 0.34 -0.69 -0.37 1.46 9.65 -1.27 -0.55 114.38 122.95 2dnx h ARG 87 Ca 0.28 0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.32 2dnx h ARG 87 Cb 0.35 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 2dnx h ARG 87 CO -0.31 -0.39 0.56 1.96 2.80 0.00 0.00 179.97 184.60 2dnx h GLN 88 N -0.97 0.00 0.00 0.20 1.08 -1.50 1.37 115.11 115.29 2dnx h GLN 88 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2dnx h GLN 88 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2dnx h GLN 88 CO 0.12 0.00 -0.01 0.37 -0.95 0.00 0.00 178.83 178.37 2dnx h GLN 89 N 0.00 0.00 -0.48 1.46 4.15 -0.36 -3.03 115.11 116.85 2dnx h GLN 89 Ca 0.18 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.64 2dnx h GLN 89 Cb 1.30 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.96 2dnx h GLN 89 CO -0.00 0.00 0.32 0.07 -1.93 0.00 0.00 178.83 177.29 2dnx h ARG 90 N -0.53 0.48 0.29 1.69 0.11 -0.28 -1.26 114.38 114.88 2dnx h ARG 90 Ca 0.00 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 2dnx h ARG 90 Cb 0.01 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 30.96 2dnx h ARG 90 CO 0.00 0.32 -0.24 -0.07 0.10 0.00 0.00 179.97 180.08 2dnx h LEU 91 N 0.50 -0.62 -0.77 0.08 3.38 0.17 1.14 115.31 119.18 2dnx h LEU 91 Ca 0.20 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.25 2dnx h LEU 91 Cb 0.17 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2dnx h LEU 91 CO -0.05 -0.36 0.49 1.56 0.09 0.00 0.00 178.44 180.17 2dnx h GLN 92 N -0.54 0.92 -0.12 1.13 1.08 -1.26 -2.05 115.11 114.27 2dnx h GLN 92 Ca -0.02 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2dnx h GLN 92 Cb 0.48 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2dnx h GLN 92 CO -0.02 0.61 0.04 -0.22 -0.95 0.00 0.00 178.83 178.30 2dnx h LYS 93 N 0.95 0.18 -1.05 1.46 3.64 -0.75 0.19 116.57 121.19 2dnx h LYS 93 Ca 0.31 -0.04 0.27 0.00 -1.27 0.00 0.00 60.65 59.93 2dnx h LYS 93 Cb 0.02 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 2dnx h LYS 93 CO -0.12 0.30 0.68 0.93 -2.27 0.00 0.00 179.45 178.98 2dnx h GLU 94 N 0.03 0.34 0.15 1.90 4.39 0.19 0.21 114.58 121.79 2dnx h GLU 94 Ca 0.04 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.51 2dnx h GLU 94 Cb 0.19 -0.08 0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2dnx h GLU 94 CO -0.00 0.23 -0.93 -0.09 -1.16 0.00 0.00 179.01 177.05 2dnx h ARG 95 N 0.35 0.32 -0.09 2.33 2.43 -0.83 -3.19 114.38 115.70 2dnx h ARG 95 Ca 0.59 -0.55 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2dnx h ARG 95 Cb 1.57 0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 31.27 2dnx h ARG 95 CO -0.27 1.26 -0.34 -0.07 -1.51 0.00 0.00 179.97 179.04 2dnx h LEU 96 N -0.32 -1.04 -0.45 3.80 3.38 0.19 1.49 115.31 122.35 2dnx h LEU 96 Ca -0.17 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2dnx h LEU 96 Cb 1.71 0.43 -0.10 0.00 0.09 0.00 0.00 40.66 42.79 2dnx h LEU 96 CO 0.16 -0.38 -0.25 0.24 0.09 0.00 0.00 178.44 178.30 2dnx h MET 97 N -0.44 -0.15 0.67 1.13 2.86 -0.84 0.36 114.93 118.53 2dnx h MET 97 Ca 0.08 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2dnx h MET 97 Cb 0.57 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.27 2dnx h MET 97 CO -0.34 -0.10 -0.32 -0.91 1.06 0.00 0.00 176.91 176.30 2dnx h ASN 98 N -0.16 -0.77 -1.00 1.22 2.35 -1.33 -1.32 115.58 114.58 2dnx h ASN 98 Ca 0.21 -0.01 0.13 0.00 -0.55 0.00 0.00 56.30 56.08 2dnx h ASN 98 Cb 0.49 0.20 -0.14 0.00 0.05 0.00 0.00 38.32 38.91 2dnx h ASN 98 CO -0.55 -0.43 -0.47 0.47 -1.65 0.00 0.00 177.43 174.80 2dnx n ASP 99 N -5.41 -0.81 0.21 5.81 8.00 0.50 -0.69 116.55 124.16 2dnx n ASP 99 Ca -0.13 1.76 -0.17 0.00 0.71 0.00 0.00 54.79 56.96 2dnx n ASP 99 Cb 0.38 -0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 2dnx n ASP 99 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2dnx h PHE 100 N 0.00 -1.43 -0.03 1.24 3.57 -0.24 -2.49 116.94 117.57 2dnx h PHE 100 Ca 0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2dnx h PHE 100 Cb 0.52 0.58 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 2dnx h PHE 100 CO -0.94 -0.63 -0.02 1.03 -2.23 0.00 0.00 178.31 175.52 2dnx h SER 101 N -0.88 -0.07 -0.81 0.41 0.87 0.31 2.35 113.55 115.73 2dnx h SER 101 Ca -0.03 0.01 0.31 0.00 -1.23 0.00 0.00 61.79 60.84 2dnx h SER 101 Cb 0.82 0.03 -0.15 0.00 -0.44 0.00 0.00 62.40 62.66 2dnx h SER 101 CO -0.16 -0.01 0.32 0.00 -0.53 0.00 0.00 176.83 176.45 2dnx n ALA 102 N -2.99 0.72 -0.03 6.23 0.00 -0.24 0.30 120.51 124.49 2dnx n ALA 102 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 53.44 54.15 2dnx n ALA 102 Cb 0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 2dnx n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dnx h ALA 103 N 1.62 -0.02 0.45 0.00 0.00 0.12 -2.60 119.26 118.82 2dnx h ALA 103 Ca 0.63 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2dnx h ALA 103 Cb 1.60 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2dnx h ALA 103 CO -0.66 -0.13 -0.31 1.25 0.00 0.00 0.00 179.25 179.40 2dnx h LEU 104 N -0.79 -0.80 -0.86 0.00 7.12 1.49 -1.95 115.31 119.51 2dnx h LEU 104 Ca -0.00 0.05 0.22 0.00 0.13 0.00 0.00 57.88 58.28 2dnx h LEU 104 Cb 0.72 0.25 -0.13 0.00 -0.53 0.00 0.00 40.66 40.97 2dnx h LEU 104 CO 0.00 -0.48 0.28 -1.13 -0.13 0.00 0.00 178.44 176.98 2dnx h ASN 105 N -0.74 0.10 -0.15 1.25 -0.73 0.44 0.28 115.58 116.03 2dnx h ASN 105 Ca -0.05 0.18 0.05 0.00 1.87 0.00 0.00 56.30 58.35 2dnx h ASN 105 Cb 0.63 0.22 -0.06 0.00 0.27 0.00 0.00 38.32 39.37 2dnx h ASN 105 CO 0.02 -0.10 -0.29 0.78 -0.37 0.00 0.00 177.43 177.48 2dnx h ASN 106 N 0.27 -0.90 -0.92 1.15 2.35 -0.96 0.28 115.58 116.85 2dnx h ASN 106 Ca 0.54 0.14 0.05 0.00 -0.55 0.00 0.00 56.30 56.48 2dnx h ASN 106 Cb 1.05 0.39 -0.06 0.00 0.05 0.00 0.00 38.32 39.75 2dnx h ASN 106 CO -0.60 -0.33 0.60 0.15 -1.65 0.00 0.00 177.43 175.60 2dnx h PHE 107 N -0.35 1.09 0.68 1.19 3.57 0.03 -0.62 116.94 122.52 2dnx h PHE 107 Ca 0.11 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2dnx h PHE 107 Cb 0.51 -0.36 0.01 0.00 2.79 0.00 0.00 35.95 38.90 2dnx h PHE 107 CO -0.39 0.59 -0.33 1.96 -2.23 0.00 0.00 178.31 177.92 2dnx h GLN 108 N 1.09 -0.88 -0.02 1.11 1.08 0.80 0.99 115.11 119.28 2dnx h GLN 108 Ca 0.38 0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.65 2dnx h GLN 108 Cb 0.13 0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2dnx h GLN 108 CO -0.14 -0.57 0.11 0.00 -0.95 0.00 0.00 178.83 177.28 2dnx h ALA 109 N -0.66 1.22 0.00 3.87 0.00 -0.21 0.51 119.26 123.99 2dnx h ALA 109 Ca -0.09 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 2dnx h ALA 109 Cb 0.71 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2dnx h ALA 109 CO 0.15 -0.12 -1.42 0.28 0.00 0.00 0.00 179.25 178.15 2dnx h VAL 110 N 0.00 0.74 -0.12 0.00 2.07 -0.13 -2.87 116.25 115.93 2dnx h VAL 110 Ca 0.01 -2.37 -0.16 0.00 0.82 0.00 0.00 66.70 65.00 2dnx h VAL 110 Cb 0.23 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2dnx h VAL 110 CO -0.00 0.42 -0.59 0.06 0.02 0.00 0.00 177.57 177.48 2dnx h GLN 111 N 0.00 0.41 0.05 1.57 3.07 0.59 0.59 115.11 121.39 2dnx h GLN 111 Ca -0.18 -0.28 -0.24 0.00 0.09 0.00 0.00 58.65 58.05 2dnx h GLN 111 Cb 1.74 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 29.32 2dnx h GLN 111 CO 0.07 0.88 -1.10 0.07 0.09 0.00 0.00 178.83 178.84 2dnx h ARG 112 N 0.31 0.11 0.00 0.06 -0.00 -1.25 -2.86 114.38 110.74 2dnx h ARG 112 Ca -0.00 -0.18 -0.15 0.00 -0.00 0.00 0.00 59.98 59.64 2dnx h ARG 112 Cb 1.12 0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 31.14 2dnx h ARG 112 CO 0.10 1.09 -0.73 0.00 -0.00 0.00 0.00 179.97 180.43 2dnx h ARG 113 N 0.03 0.00 -0.26 0.08 3.08 -1.42 -2.66 114.38 113.24 2dnx h ARG 113 Ca -0.06 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 2dnx h ARG 113 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.90 2dnx h ARG 113 CO 0.16 0.73 -0.55 0.28 -1.07 0.00 0.00 179.97 179.53 2dnx h VAL 114 N 0.00 1.28 0.14 2.04 2.07 -0.90 -2.69 116.25 118.19 2dnx h VAL 114 Ca -0.01 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 2dnx h VAL 114 Cb 1.39 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2dnx h VAL 114 CO 0.10 0.56 -0.07 0.28 0.02 0.00 0.00 177.57 178.46 2dnx h SER 115 N 0.59 -0.15 -0.47 0.57 0.02 -1.48 -1.72 113.55 110.91 2dnx h SER 115 Ca 0.01 -0.11 0.14 0.00 -0.84 0.00 0.00 61.79 60.98 2dnx h SER 115 Cb 1.16 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 2dnx h SER 115 CO 0.12 0.01 0.39 -0.33 -1.14 0.00 0.00 176.83 175.88 2dnx h GLU 116 N -0.32 0.00 -0.06 3.45 5.08 -1.50 0.37 114.58 121.62 2dnx h GLU 116 Ca -0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2dnx h GLU 116 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2dnx h GLU 116 CO 0.03 0.00 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.72 2dnx h LYS 117 N 0.00 0.17 0.00 2.33 3.11 -1.03 -0.45 116.57 120.71 2dnx h LYS 117 Ca 0.22 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.96 2dnx h LYS 117 Cb 0.99 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.24 2dnx h LYS 117 CO -0.00 0.69 0.00 0.39 -2.81 0.00 0.00 179.45 177.71 2dnx n GLU 118 N -4.66 0.17 0.06 1.90 -0.58 0.08 -2.51 120.64 115.09 2dnx n GLU 118 Ca -0.08 0.35 -0.22 0.00 -0.42 0.00 0.00 57.16 56.78 2dnx n GLU 118 Cb 0.35 -1.79 -0.15 0.00 -0.57 0.00 0.00 31.44 29.28 2dnx n GLU 118 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2dnx h LYS 119 N 0.00 0.35 -0.70 3.49 1.57 -0.17 -3.26 116.57 117.86 2dnx h LYS 119 Ca 0.00 -0.60 -0.03 0.00 -1.87 0.00 0.00 60.65 58.15 2dnx h LYS 119 Cb 0.42 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 2dnx h LYS 119 CO 0.00 1.29 0.33 0.93 -0.57 0.00 0.00 179.45 181.43 2dnx h GLU 120 N -0.04 0.99 0.40 3.15 3.07 -0.82 0.41 114.58 121.73 2dnx h GLU 120 Ca -0.32 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.39 2dnx h GLU 120 Cb 1.98 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 29.70 2dnx h GLU 120 CO 0.14 0.77 -0.28 1.03 -1.40 0.00 0.00 179.01 179.27 2dnx h SER 121 N 0.99 -0.72 0.17 1.42 0.87 -1.60 -3.32 113.55 111.35 2dnx h SER 121 Ca 0.24 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2dnx h SER 121 Cb 0.10 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2dnx h SER 121 CO -0.03 -0.41 -0.08 0.40 -0.53 0.00 0.00 176.83 176.17 2dnx h ILE 122 N -0.65 0.00 -2.24 2.23 2.04 -1.58 -3.48 117.51 113.83 2dnx h ILE 122 Ca -0.05 -0.03 0.27 0.00 1.00 0.00 0.00 64.86 66.05 2dnx h ILE 122 Cb 0.53 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 2dnx h ILE 122 CO 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 178.15 177.82 2dnx n ALA 123 N -2.14 -3.22 0.15 1.87 0.00 0.14 -4.97 120.51 112.34 2dnx n ALA 123 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2dnx n ALA 123 Cb 0.09 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2dnx n ALA 123 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2dnx n ARG 124 N -3.10 0.00 -3.04 0.00 0.63 -1.26 -5.05 116.66 104.83 2dnx n ARG 124 Ca 0.01 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 2dnx n ARG 124 Cb 0.62 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.49 2dnx n ARG 124 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dnx s SER 125 N -4.33 -0.37 0.06 6.15 0.15 -1.26 -5.14 113.70 108.96 2dnx s SER 125 Ca 0.00 -2.00 -0.27 0.00 0.70 0.00 0.00 55.95 54.38 2dnx s SER 125 Cb 0.00 1.11 0.10 0.00 -1.71 0.00 0.00 66.02 65.51 2dnx s SER 125 CO 0.00 -0.12 1.18 -0.83 1.20 0.00 0.00 173.24 174.67 2dnx s GLY 126 N 0.80 -0.19 0.78 9.45 0.00 -1.26 -5.17 107.32 111.73 2dnx s GLY 126 Ca 0.28 0.19 -0.11 0.00 0.00 0.00 0.00 44.72 45.08 2dnx s GLY 126 CO -0.09 2.14 1.09 2.56 0.00 0.00 0.00 173.10 178.80 2dnx s PRO 127 N -2.38 2.25 0.39 2.90 0.04 -1.26 -5.08 135.00 131.86 2dnx s PRO 127 Ca 0.20 0.69 0.08 0.00 0.04 0.00 0.00 61.00 62.01 2dnx s PRO 127 Cb 0.01 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2dnx s PRO 127 CO 0.00 -1.52 0.05 -1.54 0.04 0.00 0.00 177.00 174.04 2dnx s SER 128 N -3.89 4.10 -0.30 6.66 1.04 -1.26 -5.04 113.70 115.01 2dnx s SER 128 Ca 0.60 -1.18 -0.05 0.00 0.48 0.00 0.00 55.95 55.81 2dnx s SER 128 Cb -0.14 -0.45 0.19 0.00 0.10 0.00 0.00 66.02 65.71 2dnx s SER 128 CO 0.54 -0.41 0.73 -0.55 0.98 0.00 0.00 173.24 174.53 2dnx s SER 129 N -3.76 -1.12 0.00 7.02 0.15 -1.26 -5.21 113.70 109.52 2dnx s SER 129 Ca 0.37 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.72 2dnx s SER 129 Cb 0.05 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.30 2dnx s SER 129 CO 0.20 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.04