#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 -1.71 -4.17 1.61 7.64 -1.26 -5.03 113.62 110.70 2dnx n SER 2 Ca 0.00 -0.06 -0.23 0.00 1.01 0.00 0.00 58.87 59.59 2dnx n SER 2 Cb 0.00 -1.20 -0.14 0.00 -1.01 0.00 0.00 64.21 61.85 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 -2.26 1.97 0.00 6.43 0.15 -1.26 -4.91 113.70 113.82 2dnx s SER 3 Ca 0.64 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2dnx s SER 3 Cb -0.22 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 2dnx s SER 3 CO 0.65 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.84 2dnx n GLY 4 N 2.24 4.52 3.64 9.45 0.00 -1.26 -5.18 105.19 118.60 2dnx n GLY 4 Ca -0.16 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 2dnx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnx s SER 5 N -0.45 -0.68 0.00 1.61 0.15 -1.26 -5.04 113.70 108.03 2dnx s SER 5 Ca 0.00 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.86 2dnx s SER 5 Cb 0.00 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 2dnx s SER 5 CO 0.00 -0.20 0.00 -0.24 1.20 0.00 0.00 173.24 174.00 2dnx n SER 6 N 3.16 0.00 0.00 5.45 2.88 -1.26 -5.15 113.62 118.70 2dnx n SER 6 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2dnx n SER 6 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2dnx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnx n GLY 7 N 0.00 5.82 2.56 0.46 0.00 -1.26 -5.09 105.19 107.67 2dnx n GLY 7 Ca 0.00 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 2dnx n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dnx n GLN 8 N 0.00 2.41 -3.51 1.61 7.27 -1.26 -5.05 117.38 118.85 2dnx n GLN 8 Ca 0.00 -4.43 -0.38 0.00 0.07 0.00 0.00 57.00 52.26 2dnx n GLN 8 Cb 0.00 -2.07 -0.09 0.00 2.41 0.00 0.00 30.24 30.49 2dnx n GLN 8 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2dnx s LEU 9 N -2.68 4.08 -0.85 1.69 2.01 -1.26 -4.98 118.68 116.69 2dnx s LEU 9 Ca 0.43 0.22 -0.23 0.00 0.01 0.00 0.00 54.13 54.55 2dnx s LEU 9 Cb 0.22 -2.29 -0.15 0.00 0.01 0.00 0.00 46.19 43.98 2dnx s LEU 9 CO -0.08 -0.06 1.91 0.54 1.01 0.00 0.00 176.35 179.67 2dnx n ARG 10 N 4.80 1.40 -2.88 1.70 1.74 -1.26 -4.78 116.66 117.38 2dnx n ARG 10 Ca -0.11 -1.98 -0.30 0.00 -0.77 0.00 0.00 57.85 54.68 2dnx n ARG 10 Cb 0.51 -3.17 -0.03 0.00 -1.02 0.00 0.00 32.46 28.75 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 5.68 6.55 0.27 0.55 1.01 -1.26 -4.76 116.67 124.71 2dnx s ASP 11 Ca 0.62 1.15 -0.03 0.00 0.71 0.00 0.00 52.55 55.01 2dnx s ASP 11 Cb 0.09 -2.33 0.59 0.00 1.01 0.00 0.00 42.92 42.28 2dnx s ASP 11 CO 0.14 -0.38 1.61 0.15 0.21 0.00 0.00 175.17 176.90 2dnx h PHE 12 N 1.35 -0.01 -0.19 4.23 3.04 -1.94 1.58 116.94 125.00 2dnx h PHE 12 Ca -0.47 0.06 -0.08 0.00 3.98 0.00 0.00 57.97 61.46 2dnx h PHE 12 Cb 1.19 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.83 2dnx h PHE 12 CO 0.61 -0.31 -0.24 0.77 -2.02 0.00 0.00 178.31 177.12 2dnx h SER 13 N 0.08 0.33 -0.15 0.41 0.02 -1.92 0.58 113.55 112.90 2dnx h SER 13 Ca 0.50 -0.10 -0.21 0.00 -0.84 0.00 0.00 61.79 61.14 2dnx h SER 13 Cb 0.96 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.42 2dnx h SER 13 CO -0.77 0.58 -0.73 0.28 -1.14 0.00 0.00 176.83 175.05 2dnx h SER 14 N 0.30 0.90 -0.06 3.07 0.02 0.13 -1.91 113.55 116.01 2dnx h SER 14 Ca 0.05 -0.63 -0.04 0.00 -0.84 0.00 0.00 61.79 60.33 2dnx h SER 14 Cb 0.59 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2dnx h SER 14 CO 0.04 1.39 -0.11 0.40 -1.14 0.00 0.00 176.83 177.41 2dnx h ILE 15 N 0.48 1.41 0.11 3.27 2.04 0.18 -2.74 117.51 122.25 2dnx h ILE 15 Ca -0.05 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.43 2dnx h ILE 15 Cb 1.37 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 2dnx h ILE 15 CO 0.15 0.38 -0.19 0.40 0.00 0.00 0.00 178.15 178.89 2dnx h ILE 16 N -0.30 0.00 -1.00 -0.67 2.04 0.10 0.64 117.51 118.32 2dnx h ILE 16 Ca 0.00 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.16 2dnx h ILE 16 Cb 0.67 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.57 2dnx h ILE 16 CO 0.02 0.00 0.09 1.56 0.00 0.00 0.00 178.15 179.82 2dnx h GLN 17 N -0.32 0.00 -0.23 2.37 4.20 -1.45 1.05 115.11 120.73 2dnx h GLN 17 Ca -0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2dnx h GLN 17 Cb 0.30 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2dnx h GLN 17 CO -0.07 0.00 0.05 1.15 -0.67 0.00 0.00 178.83 179.30 2dnx h THR 18 N 0.00 1.21 -0.27 -0.54 2.02 -1.02 -1.92 112.91 112.40 2dnx h THR 18 Ca 0.63 -0.69 0.06 0.00 0.77 0.00 0.00 66.41 67.19 2dnx h THR 18 Cb 1.37 1.23 -0.07 0.00 -1.74 0.00 0.00 68.15 68.95 2dnx h THR 18 CO -0.91 0.22 -0.17 0.00 0.37 0.00 0.00 175.52 175.02 2dnx h SER 20 N -0.15 -1.46 -0.16 0.00 0.87 -0.49 -0.64 113.55 111.52 2dnx h SER 20 Ca 0.15 0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.90 2dnx h SER 20 Cb 0.37 0.55 -0.05 0.00 -0.44 0.00 0.00 62.40 62.84 2dnx h SER 20 CO -0.36 -0.51 -0.39 1.23 -0.53 0.00 0.00 176.83 176.28 2dnx h GLY 21 N -0.65 -1.25 -0.91 5.77 0.00 -0.64 -0.81 103.07 104.58 2dnx h GLY 21 Ca 0.02 0.71 0.11 0.00 0.00 0.00 0.00 47.33 48.17 2dnx h GLY 21 CO -0.32 -0.31 -0.50 3.43 0.00 0.00 0.00 176.54 178.84 2dnx h ASN 22 N -0.37 -1.84 -0.43 0.19 4.21 -0.65 0.13 115.58 116.82 2dnx h ASN 22 Ca 0.03 0.31 0.05 0.00 1.21 0.00 0.00 56.30 57.90 2dnx h ASN 22 Cb 0.46 0.85 -0.07 0.00 -1.12 0.00 0.00 38.32 38.44 2dnx h ASN 22 CO -0.34 -0.27 -0.44 0.40 -1.29 0.00 0.00 177.43 175.49 2dnx h ILE 23 N -0.05 0.00 -0.71 2.81 2.04 -0.24 0.13 117.51 121.49 2dnx h ILE 23 Ca 0.22 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.14 2dnx h ILE 23 Cb 0.50 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 2dnx h ILE 23 CO -0.91 0.00 -0.43 1.56 0.00 0.00 0.00 178.15 178.37 2dnx h GLN 24 N -0.23 -0.02 -0.53 2.37 1.08 0.59 0.17 115.11 118.55 2dnx h GLN 24 Ca 0.07 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.37 2dnx h GLN 24 Cb 0.42 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.75 2dnx h GLN 24 CO -0.53 -0.01 -0.35 0.00 -0.95 0.00 0.00 178.83 176.99 2dnx h ARG 25 N -0.02 -0.20 -0.63 1.46 -0.00 -0.11 1.53 114.38 116.41 2dnx h ARG 25 Ca 0.11 0.01 0.11 0.00 -0.50 0.00 0.00 59.98 59.71 2dnx h ARG 25 Cb 0.31 0.05 -0.12 0.00 0.00 0.00 0.00 29.97 30.21 2dnx h ARG 25 CO -0.68 -0.13 -0.37 0.82 0.00 0.00 0.00 179.97 179.61 2dnx h ILE 26 N -0.21 0.13 -0.46 2.04 2.04 0.19 1.38 117.51 122.62 2dnx h ILE 26 Ca 0.20 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.98 2dnx h ILE 26 Cb 0.55 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2dnx h ILE 26 CO -0.64 0.00 -0.06 -1.28 0.00 0.00 0.00 178.15 176.17 2dnx h SER 27 N -0.16 0.79 0.56 1.72 0.87 0.11 -1.47 113.55 115.97 2dnx h SER 27 Ca 0.23 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 2dnx h SER 27 Cb 0.56 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2dnx h SER 27 CO -0.71 0.89 -0.27 1.56 -0.53 0.00 0.00 176.83 177.77 2dnx h GLN 28 N 0.74 -0.72 -1.01 2.24 4.20 0.65 -0.57 115.11 120.64 2dnx h GLN 28 Ca 0.13 0.05 0.24 0.00 0.06 0.00 0.00 58.65 59.13 2dnx h GLN 28 Cb 0.54 0.16 -0.11 0.00 0.30 0.00 0.00 27.48 28.38 2dnx h GLN 28 CO 0.03 -0.48 0.63 0.00 -0.67 0.00 0.00 178.83 178.34 2dnx h ALA 29 N -1.63 1.95 0.00 3.87 0.00 0.16 1.43 119.26 125.04 2dnx h ALA 29 Ca -0.08 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2dnx h ALA 29 Cb 0.57 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2dnx h ALA 29 CO 0.13 -0.36 -0.15 1.15 0.00 0.00 0.00 179.25 180.01 2dnx h THR 30 N 0.55 0.86 -0.02 0.00 2.02 -0.99 -0.61 112.91 114.72 2dnx h THR 30 Ca 0.60 -0.57 -0.21 0.00 0.77 0.00 0.00 66.41 67.00 2dnx h THR 30 Cb 1.25 1.33 0.02 0.00 -1.74 0.00 0.00 68.15 69.01 2dnx h THR 30 CO -0.37 0.15 -0.82 0.00 0.37 0.00 0.00 175.52 174.85 2dnx h ALA 31 N 1.85 0.12 -0.49 6.16 0.00 0.35 -3.04 119.26 124.21 2dnx h ALA 31 Ca -0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2dnx h ALA 31 Cb 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2dnx h ALA 31 CO 0.02 0.53 0.20 1.96 0.00 0.00 0.00 179.25 181.96 2dnx h GLN 32 N 0.19 0.73 -0.91 0.00 1.08 -0.60 0.16 115.11 115.77 2dnx h GLN 32 Ca -0.10 -0.13 0.13 0.00 -1.45 0.00 0.00 58.65 57.10 2dnx h GLN 32 Cb 1.49 -0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 28.72 2dnx h GLN 32 CO 0.16 0.66 0.53 0.82 -0.95 0.00 0.00 178.83 180.05 2dnx h ILE 33 N 0.65 0.82 -0.01 2.54 2.04 -1.18 1.95 117.51 124.33 2dnx h ILE 33 Ca 0.16 -0.27 -0.17 0.00 1.00 0.00 0.00 64.86 65.58 2dnx h ILE 33 Cb 0.20 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2dnx h ILE 33 CO -0.01 0.14 -0.78 0.11 0.00 0.00 0.00 178.15 177.62 2dnx h LYS 34 N 0.79 0.11 -0.01 2.37 1.57 -1.31 0.71 116.57 120.80 2dnx h LYS 34 Ca 0.47 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.99 2dnx h LYS 34 Cb 0.57 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2dnx h LYS 34 CO -0.31 0.83 -0.72 -0.97 -0.57 0.00 0.00 179.45 177.71 2dnx h ASN 35 N 0.07 0.08 0.60 0.86 -0.73 0.24 -3.12 115.58 113.59 2dnx h ASN 35 Ca -0.02 -0.06 -0.27 0.00 1.87 0.00 0.00 56.30 57.82 2dnx h ASN 35 Cb 1.36 -0.02 -0.04 0.00 0.27 0.00 0.00 38.32 39.88 2dnx h ASN 35 CO 0.11 0.77 -1.54 -0.07 -0.37 0.00 0.00 177.43 176.33 2dnx h LEU 36 N 0.04 0.02 -1.39 0.34 3.38 0.30 -3.33 115.31 114.68 2dnx h LEU 36 Ca -0.01 -0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.13 2dnx h LEU 36 Cb 1.27 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.93 2dnx h LEU 36 CO 0.10 1.04 0.63 -0.03 0.09 0.00 0.00 178.44 180.26 2dnx h MET 37 N 0.00 0.45 -0.52 1.13 4.05 0.51 0.21 114.93 120.76 2dnx h MET 37 Ca -0.22 -0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.27 2dnx h MET 37 Cb 1.96 -0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 32.57 2dnx h MET 37 CO 0.09 0.29 -0.03 1.03 0.23 0.00 0.00 176.91 178.53 2dnx h SER 38 N 0.46 -0.28 -0.90 1.39 0.87 -1.67 -1.68 113.55 111.74 2dnx h SER 38 Ca 0.53 0.13 0.11 0.00 -1.23 0.00 0.00 61.79 61.33 2dnx h SER 38 Cb 1.24 0.24 -0.13 0.00 -0.44 0.00 0.00 62.40 63.31 2dnx h SER 38 CO -0.24 -0.10 -0.49 1.56 -0.53 0.00 0.00 176.83 177.03 2dnx h GLN 39 N 0.09 -0.05 -0.99 2.24 7.50 -1.17 1.28 115.11 124.00 2dnx h GLN 39 Ca 0.26 0.00 0.35 0.00 0.50 0.00 0.00 58.65 59.77 2dnx h GLN 39 Cb 0.40 0.01 -0.16 0.00 0.05 0.00 0.00 27.48 27.78 2dnx h GLN 39 CO -0.46 -0.04 0.51 -0.07 -1.50 0.00 0.00 178.83 177.27 2dnx h LEU 40 N -0.06 0.35 -6.27 1.46 3.38 -1.40 -2.76 115.31 110.02 2dnx h LEU 40 Ca 0.23 0.22 -0.63 0.00 0.09 0.00 0.00 57.88 57.79 2dnx h LEU 40 Cb 0.51 0.22 0.03 0.00 0.09 0.00 0.00 40.66 41.51 2dnx h LEU 40 CO -0.90 -0.27 2.48 0.61 0.09 0.00 0.00 178.44 180.45 2dnx n GLY 41 N -1.30 2.93 0.48 0.83 0.00 0.44 -2.76 105.19 105.82 2dnx n GLY 41 Ca 0.33 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2dnx n GLY 41 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dnx n THR 42 N 5.63 0.00 -1.26 2.61 5.66 -1.04 -5.01 114.28 120.86 2dnx n THR 42 Ca 0.50 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.50 2dnx n THR 42 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 2dnx n THR 42 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2dnx n LYS 43 N -1.76 0.00 -3.57 1.09 4.81 -1.11 -4.86 118.16 112.75 2dnx n LYS 43 Ca 0.00 0.42 -0.07 0.00 -0.87 0.00 0.00 58.31 57.79 2dnx n LYS 43 Cb 0.00 -0.84 -0.03 0.00 0.02 0.00 0.00 35.03 34.17 2dnx n LYS 43 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2dnx s GLN 44 N -0.40 0.50 -0.25 1.64 0.74 -1.26 -4.98 119.66 115.64 2dnx s GLN 44 Ca 0.00 -0.05 -0.32 0.00 0.05 0.00 0.00 55.36 55.04 2dnx s GLN 44 Cb 0.00 0.23 -0.09 0.00 1.10 0.00 0.00 33.01 34.25 2dnx s GLN 44 CO 0.00 -0.19 2.15 -0.25 -0.55 0.00 0.00 175.29 176.45 2dnx n ASP 45 N 0.25 2.82 -2.93 6.67 8.00 -1.26 -4.85 116.55 125.26 2dnx n ASP 45 Ca -0.06 0.42 -0.06 0.00 0.71 0.00 0.00 54.79 55.80 2dnx n ASP 45 Cb 0.59 -1.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.28 2dnx n ASP 45 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2dnx s SER 46 N 7.17 -1.03 -0.04 -2.24 0.01 -1.26 -4.99 113.70 111.32 2dnx s SER 46 Ca 1.03 -1.72 0.03 0.00 1.31 0.00 0.00 55.95 56.60 2dnx s SER 46 Cb -0.62 1.60 -0.25 0.00 0.21 0.00 0.00 66.02 66.96 2dnx s SER 46 CO 0.44 -0.09 0.68 0.77 0.41 0.00 0.00 173.24 175.44 2dnx h SER 47 N 5.49 0.22 -0.41 2.44 4.64 -1.99 -3.14 113.55 120.80 2dnx h SER 47 Ca 0.08 -0.41 0.11 0.00 -0.47 0.00 0.00 61.79 61.10 2dnx h SER 47 Cb 1.10 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 2dnx h SER 47 CO 0.07 1.35 0.29 0.11 -0.87 0.00 0.00 176.83 177.79 2dnx h LYS 48 N 0.04 0.06 0.02 4.77 1.79 -2.00 -0.70 116.57 120.56 2dnx h LYS 48 Ca -0.29 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.17 2dnx h LYS 48 Cb 2.01 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.64 2dnx h LYS 48 CO 0.11 0.04 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.44 2dnx h LEU 49 N 0.06 -0.02 -1.48 2.94 3.38 -1.99 -3.00 115.31 115.21 2dnx h LEU 49 Ca 0.19 0.00 0.47 0.00 0.09 0.00 0.00 57.88 58.64 2dnx h LEU 49 Cb 0.68 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 2dnx h LEU 49 CO -0.01 0.23 1.00 0.00 0.09 0.00 0.00 178.44 179.74 2dnx n GLN 50 N -3.43 -0.02 0.01 1.13 6.02 -1.08 0.20 117.38 120.20 2dnx n GLN 50 Ca -0.00 1.10 -0.13 0.00 -0.01 0.00 0.00 57.00 57.96 2dnx n GLN 50 Cb 0.01 -2.30 -0.10 0.00 1.02 0.00 0.00 30.24 28.88 2dnx n GLN 50 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2dnx h GLU 51 N 0.00 -0.05 0.09 -1.09 4.39 -1.21 -3.05 114.58 113.66 2dnx h GLU 51 Ca 0.84 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.56 2dnx h GLU 51 Cb 2.94 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 31.56 2dnx h GLU 51 CO -0.28 0.41 -0.39 -0.97 -1.16 0.00 0.00 179.01 176.61 2dnx h ASN 52 N -0.52 -1.16 -0.94 1.42 -0.73 0.24 0.80 115.58 114.69 2dnx h ASN 52 Ca -0.00 0.13 0.19 0.00 1.87 0.00 0.00 56.30 58.49 2dnx h ASN 52 Cb 0.47 0.44 -0.18 0.00 0.27 0.00 0.00 38.32 39.33 2dnx h ASN 52 CO 0.01 -0.46 -0.22 0.18 -0.37 0.00 0.00 177.43 176.57 2dnx n LEU 53 N -5.45 -0.32 -0.04 0.34 4.77 -0.47 0.23 117.00 116.06 2dnx n LEU 53 Ca -0.07 1.62 -0.13 0.00 -0.03 0.00 0.00 56.01 57.41 2dnx n LEU 53 Cb 0.37 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2dnx n LEU 53 CO 0.19 -1.56 0.42 1.56 -1.33 0.00 0.00 177.39 176.67 2dnx h GLN 54 N 0.00 0.73 0.00 3.23 4.20 -1.11 -1.20 115.11 120.96 2dnx h GLN 54 Ca 0.46 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2dnx h GLN 54 Cb 0.73 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.58 2dnx h GLN 54 CO -0.97 1.11 0.00 -0.56 -0.67 0.00 0.00 178.83 177.74 2dnx h GLN 55 N 0.55 0.00 0.04 1.46 3.07 0.90 -0.62 115.11 120.51 2dnx h GLN 55 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.47 2dnx h GLN 55 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.71 2dnx h GLN 55 CO 0.12 0.00 -1.45 -0.07 0.09 0.00 0.00 178.83 177.52 2dnx h LEU 56 N 0.00 0.14 -0.51 0.06 3.38 0.33 -3.13 115.31 115.59 2dnx h LEU 56 Ca 0.00 -0.66 -0.00 0.00 0.09 0.00 0.00 57.88 57.30 2dnx h LEU 56 Cb 0.35 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2dnx h LEU 56 CO 0.00 1.59 0.30 1.56 0.09 0.00 0.00 178.44 181.99 2dnx h GLN 57 N -0.66 0.70 0.89 1.13 4.20 -1.01 -1.33 115.11 119.03 2dnx h GLN 57 Ca -0.36 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.24 2dnx h GLN 57 Cb 1.53 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 29.18 2dnx h GLN 57 CO -0.11 0.52 -0.43 1.25 -0.67 0.00 0.00 178.83 179.39 2dnx h HIS 58 N 0.68 -1.11 -0.84 2.96 2.76 -1.29 0.64 115.15 118.95 2dnx h HIS 58 Ca 0.18 -0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.49 2dnx h HIS 58 Cb 0.00 0.37 -0.16 0.00 1.55 0.00 0.00 27.41 29.17 2dnx h HIS 58 CO -0.02 -0.69 -0.24 0.77 -1.30 0.00 0.00 177.93 176.45 2dnx h SER 59 N -1.20 -0.88 0.06 3.26 0.02 -1.47 0.22 113.55 113.56 2dnx h SER 59 Ca -0.12 0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2dnx h SER 59 Cb 0.92 0.55 0.00 0.00 0.14 0.00 0.00 62.40 64.01 2dnx h SER 59 CO 0.20 -0.28 -0.03 0.74 -1.14 0.00 0.00 176.83 176.32 2dnx h THR 60 N -0.01 1.04 -0.69 -2.27 2.02 -1.04 -1.27 112.91 110.68 2dnx h THR 60 Ca 0.39 -0.34 0.11 0.00 0.77 0.00 0.00 66.41 67.33 2dnx h THR 60 Cb 0.61 1.27 -0.12 0.00 -1.74 0.00 0.00 68.15 68.17 2dnx h THR 60 CO -0.87 0.09 -0.39 -1.13 0.37 0.00 0.00 175.52 173.58 2dnx h ASN 61 N -0.23 -1.38 0.58 4.18 -1.24 0.33 0.26 115.58 118.07 2dnx h ASN 61 Ca -0.01 0.26 -0.02 0.00 0.71 0.00 0.00 56.30 57.23 2dnx h ASN 61 Cb 0.20 0.67 -0.01 0.00 0.73 0.00 0.00 38.32 39.91 2dnx h ASN 61 CO 0.01 -0.31 -0.40 1.56 -1.29 0.00 0.00 177.43 177.00 2dnx h GLN 62 N -0.15 -0.90 -0.92 6.67 1.08 -0.76 -1.65 115.11 118.49 2dnx h GLN 62 Ca 0.23 0.06 0.09 0.00 -1.45 0.00 0.00 58.65 57.58 2dnx h GLN 62 Cb 0.56 0.20 -0.11 0.00 -0.05 0.00 0.00 27.48 28.08 2dnx h GLN 62 CO -0.76 -0.60 -0.53 1.28 -0.95 0.00 0.00 178.83 177.28 2dnx n LEU 63 N -4.91 -0.94 -0.19 1.46 4.77 -0.49 0.49 117.00 117.19 2dnx n LEU 63 Ca -0.11 1.63 -0.09 0.00 -0.03 0.00 0.00 56.01 57.41 2dnx n LEU 63 Cb 0.40 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2dnx n LEU 63 CO 0.26 -1.34 0.56 0.00 -1.33 0.00 0.00 177.39 175.54 2dnx h ALA 64 N 0.53 -0.39 -0.89 -1.18 0.00 -0.37 0.44 119.26 117.39 2dnx h ALA 64 Ca 0.16 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.30 2dnx h ALA 64 Cb 0.39 0.97 -0.15 0.00 0.00 0.00 0.00 17.79 19.00 2dnx h ALA 64 CO -0.87 -0.86 -0.39 0.87 0.00 0.00 0.00 179.25 178.00 2dnx h LYS 65 N -0.26 -0.04 -0.27 0.00 1.57 0.10 0.55 116.57 118.22 2dnx h LYS 65 Ca 0.16 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2dnx h LYS 65 Cb 0.57 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2dnx h LYS 65 CO -0.66 -0.03 0.16 0.93 -0.57 0.00 0.00 179.45 179.28 2dnx h GLU 66 N -0.05 0.33 -0.28 3.15 5.08 0.52 -1.61 114.58 121.73 2dnx h GLU 66 Ca 0.30 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 2dnx h GLU 66 Cb 0.58 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 2dnx h GLU 66 CO -0.91 0.22 -0.48 1.15 -1.00 0.00 0.00 179.01 177.99 2dnx h THR 67 N 0.34 0.07 -0.97 1.13 2.02 0.42 0.93 112.91 116.85 2dnx h THR 67 Ca 0.11 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.42 2dnx h THR 67 Cb -0.01 0.07 -0.09 0.00 -1.74 0.00 0.00 68.15 66.38 2dnx h THR 67 CO -0.04 0.00 0.59 -1.13 0.37 0.00 0.00 175.52 175.31 2dnx h ASN 68 N -0.44 0.83 -0.41 4.18 -0.73 -0.54 0.92 115.58 119.39 2dnx h ASN 68 Ca 0.09 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.30 2dnx h ASN 68 Cb 0.62 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.09 2dnx h ASN 68 CO -0.50 0.41 0.17 -0.33 -0.37 0.00 0.00 177.43 176.80 2dnx h GLU 69 N 0.89 0.62 -0.02 6.67 4.39 0.34 -1.86 114.58 125.61 2dnx h GLU 69 Ca 0.50 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 60.08 2dnx h GLU 69 Cb 0.57 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2dnx h GLU 69 CO -0.30 0.58 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.06 2dnx h LEU 70 N 0.52 0.03 -1.85 1.33 3.38 0.26 -0.35 115.31 118.63 2dnx h LEU 70 Ca 0.14 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.81 2dnx h LEU 70 Cb 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2dnx h LEU 70 CO -0.01 0.37 0.42 -0.07 0.09 0.00 0.00 178.44 179.24 2dnx h LEU 71 N -0.30 0.00 0.14 1.67 3.38 0.90 1.44 115.31 122.54 2dnx h LEU 71 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2dnx h LEU 71 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2dnx h LEU 71 CO 0.00 0.00 -1.73 0.11 0.09 0.00 0.00 178.44 176.91 2dnx h LYS 72 N 0.00 0.29 0.00 1.13 1.57 -0.68 -3.31 116.57 115.58 2dnx h LYS 72 Ca 0.07 -0.50 -0.08 0.00 -1.87 0.00 0.00 60.65 58.27 2dnx h LYS 72 Cb 0.91 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2dnx h LYS 72 CO -0.00 1.24 -0.39 1.05 -0.57 0.00 0.00 179.45 180.78 2dnx h GLU 73 N -0.07 0.00 0.28 3.15 4.11 0.17 -2.47 114.58 119.75 2dnx h GLU 73 Ca -0.37 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.05 2dnx h GLU 73 Cb 1.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2dnx h GLU 73 CO 0.09 0.39 -0.14 1.25 0.07 0.00 0.00 179.01 180.68 2dnx h LEU 74 N 0.00 -0.32 -2.75 3.06 6.46 0.16 -2.24 115.31 119.67 2dnx h LEU 74 Ca -0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2dnx h LEU 74 Cb 0.91 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.92 2dnx h LEU 74 CO 0.05 -0.23 0.04 1.23 -0.62 0.00 0.00 178.44 178.91 2dnx h GLY 75 N -0.38 0.00 1.19 3.75 0.00 -1.64 -0.58 103.07 105.41 2dnx h GLY 75 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 2dnx h GLY 75 CO 0.06 0.00 0.20 0.23 0.00 0.00 0.00 176.54 177.03 2dnx h SER 76 N 0.00 0.94 -2.94 0.19 0.87 -1.03 -3.44 113.55 108.14 2dnx h SER 76 Ca 0.01 -0.17 -0.55 0.00 -1.23 0.00 0.00 61.79 59.85 2dnx h SER 76 Cb 0.09 -0.25 0.21 0.00 -0.44 0.00 0.00 62.40 62.01 2dnx h SER 76 CO -0.00 0.89 -0.83 0.18 -0.53 0.00 0.00 176.83 176.54 2dnx n LEU 77 N -4.27 -1.35 -4.78 2.23 4.77 -0.23 -4.95 117.00 108.42 2dnx n LEU 77 Ca 0.05 0.41 -0.29 0.00 -0.03 0.00 0.00 56.01 56.15 2dnx n LEU 77 Cb 0.22 -1.09 0.15 0.00 -2.33 0.00 0.00 43.42 40.37 2dnx n LEU 77 CO 0.41 -4.06 0.72 -2.16 -1.33 0.00 0.00 177.39 170.97 2dnx s PRO 78 N -2.80 0.89 0.02 3.23 0.04 -1.26 -5.06 135.00 130.06 2dnx s PRO 78 Ca 0.56 0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.81 2dnx s PRO 78 Cb -0.27 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2dnx s PRO 78 CO 0.67 -2.35 0.04 -0.51 0.04 0.00 0.00 177.00 174.89 2dnx s LEU 79 N -6.10 3.68 0.82 -3.56 1.43 -1.26 -5.11 118.68 108.58 2dnx s LEU 79 Ca 0.65 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 2dnx s LEU 79 Cb -0.13 -2.18 0.08 0.00 0.03 0.00 0.00 46.19 43.99 2dnx s LEU 79 CO 0.53 0.25 1.11 -2.16 0.23 0.00 0.00 176.35 176.31 2dnx s PRO 80 N -1.80 1.88 0.29 1.29 0.04 -1.26 -4.96 135.00 130.48 2dnx s PRO 80 Ca 0.23 0.56 0.07 0.00 0.04 0.00 0.00 61.00 61.90 2dnx s PRO 80 Cb -0.12 -1.90 0.44 0.00 0.04 0.00 0.00 34.50 32.96 2dnx s PRO 80 CO 0.14 -1.74 1.68 -0.07 0.04 0.00 0.00 177.00 177.05 2dnx h LEU 81 N -1.18 0.20 -9.27 -3.56 -0.00 -2.01 -3.42 115.31 96.07 2dnx h LEU 81 Ca -0.48 -0.09 -0.56 0.00 -0.00 0.00 0.00 57.88 56.75 2dnx h LEU 81 Cb 1.28 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.84 2dnx h LEU 81 CO 0.60 0.63 0.48 -0.44 -0.00 0.00 0.00 178.44 179.71 2dnx s SER 82 N -6.88 7.19 0.23 -0.43 0.01 -1.26 -4.93 113.70 107.62 2dnx s SER 82 Ca -0.04 1.45 -0.03 0.00 1.31 0.00 0.00 55.95 58.64 2dnx s SER 82 Cb 0.13 -2.53 0.24 0.00 0.21 0.00 0.00 66.02 64.07 2dnx s SER 82 CO 0.77 -0.39 1.68 0.74 0.41 0.00 0.00 173.24 176.44 2dnx h THR 83 N 5.06 1.26 -0.95 1.44 2.02 -2.00 -2.24 112.91 117.50 2dnx h THR 83 Ca -0.33 -1.22 0.26 0.00 0.77 0.00 0.00 66.41 65.89 2dnx h THR 83 Cb 1.16 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 68.60 2dnx h THR 83 CO 0.83 0.41 0.66 0.28 0.37 0.00 0.00 175.52 178.07 2dnx h SER 84 N 0.70 0.15 0.18 4.18 0.02 -1.96 0.14 113.55 116.96 2dnx h SER 84 Ca 0.11 0.02 -0.34 0.00 -0.84 0.00 0.00 61.79 60.75 2dnx h SER 84 Cb 0.63 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.18 2dnx h SER 84 CO 0.04 0.05 -1.65 -0.33 -1.14 0.00 0.00 176.83 173.80 2dnx h GLU 85 N 0.15 0.39 -0.53 3.45 3.07 -1.83 -3.10 114.58 116.17 2dnx h GLU 85 Ca 0.47 -0.66 0.11 0.00 -0.50 0.00 0.00 59.36 58.78 2dnx h GLU 85 Cb 1.62 0.25 -0.11 0.00 -0.84 0.00 0.00 28.75 29.67 2dnx h GLU 85 CO -0.08 1.32 -0.23 1.96 -1.40 0.00 0.00 179.01 180.57 2dnx h GLN 86 N 0.03 -0.10 0.57 2.33 4.20 -0.20 0.63 115.11 122.58 2dnx h GLN 86 Ca -0.33 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.36 2dnx h GLN 86 Cb 2.04 0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.85 2dnx h GLN 86 CO 0.17 -0.07 -0.27 -0.09 -0.67 0.00 0.00 178.83 177.90 2dnx h ARG 87 N -0.10 -0.73 -1.14 1.46 9.65 -1.44 -1.98 114.38 120.09 2dnx h ARG 87 Ca 0.24 0.05 0.32 0.00 -1.10 0.00 0.00 59.98 59.50 2dnx h ARG 87 Cb 0.49 0.17 -0.10 0.00 -1.39 0.00 0.00 29.97 29.14 2dnx h ARG 87 CO -0.60 -0.43 0.74 1.96 2.80 0.00 0.00 179.97 184.45 2dnx h GLN 88 N -0.98 0.26 0.09 0.20 1.08 -1.32 0.98 115.11 115.41 2dnx h GLN 88 Ca -0.08 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2dnx h GLN 88 Cb 0.65 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2dnx h GLN 88 CO 0.13 0.17 -0.04 1.96 -0.95 0.00 0.00 178.83 180.10 2dnx h GLN 89 N 0.26 -0.11 -0.97 1.46 4.20 0.54 0.24 115.11 120.72 2dnx h GLN 89 Ca 0.65 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.54 2dnx h GLN 89 Cb 1.89 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 29.60 2dnx h GLN 89 CO -0.29 -0.07 0.61 0.07 -0.67 0.00 0.00 178.83 178.48 2dnx h ARG 90 N -0.15 0.72 -0.68 1.46 0.11 -0.59 0.21 114.38 115.46 2dnx h ARG 90 Ca -0.01 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.02 2dnx h ARG 90 Cb 0.09 -0.16 -0.03 0.00 1.11 0.00 0.00 29.97 30.97 2dnx h ARG 90 CO 0.02 0.48 0.41 -0.07 0.10 0.00 0.00 179.97 180.91 2dnx h LEU 91 N 0.75 0.82 -0.93 0.08 3.38 0.95 0.65 115.31 121.00 2dnx h LEU 91 Ca 0.52 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.41 2dnx h LEU 91 Cb 0.83 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2dnx h LEU 91 CO -0.29 0.63 0.43 1.56 0.09 0.00 0.00 178.44 180.86 2dnx h GLN 92 N 0.93 1.19 -0.18 1.13 1.08 0.15 -2.25 115.11 117.17 2dnx h GLN 92 Ca 0.25 -0.16 -0.13 0.00 -1.45 0.00 0.00 58.65 57.16 2dnx h GLN 92 Cb -0.04 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.17 2dnx h GLN 92 CO -0.05 0.89 -0.38 -0.22 -0.95 0.00 0.00 178.83 178.13 2dnx h LYS 93 N 1.19 0.58 -0.67 1.46 3.64 -0.44 -2.28 116.57 120.05 2dnx h LYS 93 Ca 0.29 -0.38 0.14 0.00 -1.27 0.00 0.00 60.65 59.44 2dnx h LYS 93 Cb 0.08 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 31.83 2dnx h LYS 93 CO -0.04 0.99 -0.04 0.93 -2.27 0.00 0.00 179.45 179.02 2dnx h GLU 94 N 0.24 0.08 -0.10 1.90 4.39 0.68 0.14 114.58 121.91 2dnx h GLU 94 Ca 0.00 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2dnx h GLU 94 Cb 0.98 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2dnx h GLU 94 CO 0.08 0.05 0.00 0.00 -1.16 0.00 0.00 179.01 177.99 2dnx h ARG 95 N 0.08 0.17 -0.67 2.33 3.08 -1.40 -2.40 114.38 115.58 2dnx h ARG 95 Ca 0.35 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.48 2dnx h ARG 95 Cb 0.58 -0.02 -0.12 0.00 0.08 0.00 0.00 29.97 30.49 2dnx h ARG 95 CO -0.61 0.42 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.52 2dnx h LEU 96 N -0.09 -0.53 0.64 3.04 3.38 -0.49 0.95 115.31 122.21 2dnx h LEU 96 Ca 0.03 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2dnx h LEU 96 Cb 0.34 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2dnx h LEU 96 CO 0.00 -0.20 -0.48 0.24 0.09 0.00 0.00 178.44 178.10 2dnx h MET 97 N 0.03 -1.04 -0.92 1.13 2.86 -0.67 0.32 114.93 116.63 2dnx h MET 97 Ca 0.33 0.07 0.14 0.00 -2.06 0.00 0.00 59.70 58.18 2dnx h MET 97 Cb 0.52 0.24 -0.09 0.00 0.06 0.00 0.00 31.60 32.33 2dnx h MET 97 CO -0.66 -0.69 0.53 -0.91 1.06 0.00 0.00 176.91 176.24 2dnx h ASN 98 N -1.08 0.71 0.41 1.22 2.35 -0.74 0.31 115.58 118.76 2dnx h ASN 98 Ca -0.08 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2dnx h ASN 98 Cb 0.90 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.21 2dnx h ASN 98 CO 0.03 0.33 -0.22 0.44 -1.65 0.00 0.00 177.43 176.36 2dnx h ASP 99 N 0.78 -0.54 -0.95 5.81 3.32 0.14 -0.99 116.42 123.99 2dnx h ASP 99 Ca 0.49 0.02 0.29 0.00 0.02 0.00 0.00 57.03 57.85 2dnx h ASP 99 Cb 0.61 0.15 -0.15 0.00 0.22 0.00 0.00 39.33 40.16 2dnx h ASP 99 CO -0.32 -0.35 0.39 0.15 -1.72 0.00 0.00 179.24 177.38 2dnx h PHE 100 N -0.58 0.61 0.56 4.55 3.57 0.10 -0.10 116.94 125.65 2dnx h PHE 100 Ca -0.06 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2dnx h PHE 100 Cb 0.45 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2dnx h PHE 100 CO 0.07 -0.24 -0.39 0.66 -2.23 0.00 0.00 178.31 176.18 2dnx h SER 101 N 0.22 -1.01 -0.99 0.41 4.64 -0.65 1.32 113.55 117.48 2dnx h SER 101 Ca 0.66 0.06 0.34 0.00 -0.47 0.00 0.00 61.79 62.38 2dnx h SER 101 Cb 1.47 0.31 -0.16 0.00 -0.31 0.00 0.00 62.40 63.71 2dnx h SER 101 CO -0.67 -0.57 0.51 0.00 -0.87 0.00 0.00 176.83 175.22 2dnx h ALA 102 N -1.27 1.92 -0.15 5.18 0.00 0.32 1.50 119.26 126.77 2dnx h ALA 102 Ca -0.07 0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 2dnx h ALA 102 Cb 0.74 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2dnx h ALA 102 CO 0.04 -0.67 -0.64 0.00 0.00 0.00 0.00 179.25 177.99 2dnx h ALA 103 N 1.89 0.28 0.92 0.00 0.00 -0.53 -2.98 119.26 118.84 2dnx h ALA 103 Ca 0.74 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2dnx h ALA 103 Cb 1.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2dnx h ALA 103 CO -0.67 0.55 -0.49 1.25 0.00 0.00 0.00 179.25 179.90 2dnx h LEU 104 N 0.38 -1.18 -0.97 0.00 5.85 1.18 -2.33 115.31 118.25 2dnx h LEU 104 Ca -0.04 0.05 0.27 0.00 0.84 0.00 0.00 57.88 59.00 2dnx h LEU 104 Cb 1.27 0.32 -0.18 0.00 0.37 0.00 0.00 40.66 42.44 2dnx h LEU 104 CO 0.13 -0.79 0.07 -1.13 -0.34 0.00 0.00 178.44 176.39 2dnx h ASN 105 N -1.29 -0.38 0.15 1.25 -0.73 0.46 0.42 115.58 115.46 2dnx h ASN 105 Ca -0.13 0.27 0.01 0.00 1.87 0.00 0.00 56.30 58.32 2dnx h ASN 105 Cb 1.01 0.45 -0.04 0.00 0.27 0.00 0.00 38.32 40.00 2dnx h ASN 105 CO 0.18 -0.33 -0.52 0.78 -0.37 0.00 0.00 177.43 177.17 2dnx h ASN 106 N 0.03 -1.55 -0.86 1.15 2.35 -1.28 0.18 115.58 115.61 2dnx h ASN 106 Ca 0.60 0.16 0.21 0.00 -0.55 0.00 0.00 56.30 56.72 2dnx h ASN 106 Cb 1.25 0.57 -0.13 0.00 0.05 0.00 0.00 38.32 40.06 2dnx h ASN 106 CO -0.87 -0.56 0.30 0.15 -1.65 0.00 0.00 177.43 174.80 2dnx h PHE 107 N -0.76 0.48 0.37 1.19 3.57 0.28 -0.38 116.94 121.70 2dnx h PHE 107 Ca -0.01 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2dnx h PHE 107 Cb 0.76 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 2dnx h PHE 107 CO -0.44 -0.10 -0.26 1.96 -2.23 0.00 0.00 178.31 177.25 2dnx h GLN 108 N 0.32 -0.58 -0.72 1.11 4.20 0.09 1.19 115.11 120.72 2dnx h GLN 108 Ca 0.52 0.04 0.21 0.00 0.06 0.00 0.00 58.65 59.48 2dnx h GLN 108 Cb 0.99 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 2dnx h GLN 108 CO -0.56 -0.39 0.80 0.00 -0.67 0.00 0.00 178.83 178.01 2dnx h ALA 109 N -1.47 2.52 0.19 3.87 0.00 -0.25 1.35 119.26 125.48 2dnx h ALA 109 Ca -0.05 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 2dnx h ALA 109 Cb 0.49 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.35 2dnx h ALA 109 CO 0.03 -1.17 -1.50 0.28 0.00 0.00 0.00 179.25 176.90 2dnx h VAL 110 N 0.00 1.13 -0.88 0.00 2.07 0.21 -2.87 116.25 115.92 2dnx h VAL 110 Ca 0.34 -2.56 0.08 0.00 0.82 0.00 0.00 66.70 65.38 2dnx h VAL 110 Cb 1.93 2.91 -0.06 0.00 -1.52 0.00 0.00 31.29 34.54 2dnx h VAL 110 CO -0.00 0.80 0.57 0.06 0.02 0.00 0.00 177.57 179.02 2dnx h GLN 111 N -0.00 0.90 0.46 1.57 3.07 1.09 0.31 115.11 122.51 2dnx h GLN 111 Ca -0.29 -0.05 -0.02 0.00 0.09 0.00 0.00 58.65 58.38 2dnx h GLN 111 Cb 2.02 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 29.38 2dnx h GLN 111 CO 0.19 0.59 -0.22 -0.09 0.09 0.00 0.00 178.83 179.39 2dnx h ARG 112 N 0.92 -0.59 -0.71 0.06 1.12 -1.18 -2.45 114.38 111.55 2dnx h ARG 112 Ca 0.39 0.04 0.15 0.00 -1.11 0.00 0.00 59.98 59.46 2dnx h ARG 112 Cb 0.31 0.14 -0.11 0.00 -0.01 0.00 0.00 29.97 30.30 2dnx h ARG 112 CO -0.16 -0.38 0.14 0.00 -3.11 0.00 0.00 179.97 176.46 2dnx h ARG 113 N -1.15 0.23 -0.42 0.20 3.08 -1.27 0.17 114.38 115.22 2dnx h ARG 113 Ca -0.06 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.04 2dnx h ARG 113 Cb 0.49 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 2dnx h ARG 113 CO 0.10 0.15 0.05 0.28 -1.07 0.00 0.00 179.97 179.49 2dnx h VAL 114 N 0.23 0.74 -0.98 2.04 2.07 -0.44 1.00 116.25 120.92 2dnx h VAL 114 Ca 0.39 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.93 2dnx h VAL 114 Cb 0.66 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 2dnx h VAL 114 CO -0.52 0.03 0.62 0.28 0.02 0.00 0.00 177.57 178.01 2dnx h SER 115 N 0.17 0.98 0.26 0.57 0.02 -0.23 0.25 113.55 115.58 2dnx h SER 115 Ca 0.21 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 61.00 2dnx h SER 115 Cb 0.27 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2dnx h SER 115 CO -0.30 0.61 -0.68 -0.08 -1.14 0.00 0.00 176.83 175.24 2dnx h GLU 116 N 1.10 0.38 -0.52 3.45 4.81 0.57 -1.39 114.58 122.98 2dnx h GLU 116 Ca 0.43 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2dnx h GLU 116 Cb 0.23 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2dnx h GLU 116 CO -0.19 0.92 0.09 0.87 -0.73 0.00 0.00 179.01 179.96 2dnx h LYS 117 N 0.27 0.85 0.00 1.92 1.79 0.25 -1.52 116.57 120.13 2dnx h LYS 117 Ca -0.02 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.20 2dnx h LYS 117 Cb 1.23 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2dnx h LYS 117 CO 0.11 0.84 -0.08 0.93 -1.08 0.00 0.00 179.45 180.17 2dnx h GLU 118 N 0.74 0.00 0.27 3.15 4.39 -0.50 -3.08 114.58 119.55 2dnx h GLU 118 Ca 0.16 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2dnx h GLU 118 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2dnx h GLU 118 CO 0.01 0.08 -0.13 0.87 -1.16 0.00 0.00 179.01 178.68 2dnx h LYS 119 N 0.00 -0.35 -0.97 2.33 1.57 -0.55 -2.91 116.57 115.69 2dnx h LYS 119 Ca -0.00 0.02 0.32 0.00 -1.87 0.00 0.00 60.65 59.12 2dnx h LYS 119 Cb 0.75 0.08 -0.16 0.00 0.08 0.00 0.00 32.23 32.98 2dnx h LYS 119 CO 0.01 -0.23 0.43 0.93 -0.57 0.00 0.00 179.45 180.02 2dnx h GLU 120 N -0.67 0.20 0.11 3.15 5.08 -1.37 0.85 114.58 121.93 2dnx h GLU 120 Ca -0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2dnx h GLU 120 Cb 0.28 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2dnx h GLU 120 CO 0.06 0.13 -0.20 1.03 -1.00 0.00 0.00 179.01 179.03 2dnx h SER 121 N 0.20 -0.57 0.78 1.42 0.87 -1.56 -3.17 113.55 111.52 2dnx h SER 121 Ca 0.70 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 61.28 2dnx h SER 121 Cb 1.61 0.20 0.01 0.00 -0.44 0.00 0.00 62.40 63.78 2dnx h SER 121 CO -0.68 -0.23 -0.37 0.40 -0.53 0.00 0.00 176.83 175.41 2dnx h ILE 122 N -0.33 0.23 -2.28 2.23 2.04 -0.87 -3.44 117.51 115.09 2dnx h ILE 122 Ca -0.01 -0.03 -0.59 0.00 1.00 0.00 0.00 64.86 65.23 2dnx h ILE 122 Cb 0.31 0.23 0.19 0.00 -0.74 0.00 0.00 36.82 36.81 2dnx h ILE 122 CO -0.07 0.00 -1.06 0.00 0.00 0.00 0.00 178.15 177.02 2dnx n ALA 123 N -2.55 -2.98 -2.43 1.87 0.00 0.28 -4.93 120.51 109.77 2dnx n ALA 123 Ca -0.14 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 52.84 2dnx n ALA 123 Cb 0.42 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 2dnx n ALA 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dnx s ARG 124 N -1.51 3.72 0.35 0.00 0.52 -1.26 -4.82 118.95 115.94 2dnx s ARG 124 Ca 0.57 0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.96 2dnx s ARG 124 Cb -0.43 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.44 2dnx s ARG 124 CO 0.66 0.21 0.00 0.43 0.02 0.00 0.00 175.30 176.62 2dnx n SER 125 N -0.71 -5.91 0.00 0.23 7.64 -1.26 -5.10 113.62 108.52 2dnx n SER 125 Ca -0.00 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.75 2dnx n SER 125 Cb 0.53 -2.82 0.00 0.00 -1.01 0.00 0.00 64.21 60.92 2dnx n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnx n GLY 126 N -1.11 2.59 2.33 0.23 0.00 -1.26 -4.99 105.19 102.99 2dnx n GLY 126 Ca 0.00 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.90 2dnx n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dnx n PRO 127 N -0.88 2.24 0.07 1.61 -0.04 -1.26 -3.65 135.00 133.09 2dnx n PRO 127 Ca 0.00 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 2dnx n PRO 127 Cb 0.00 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2dnx n PRO 127 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dnx n SER 128 N 3.39 0.61 -1.82 3.54 7.64 -1.26 -4.97 113.62 120.75 2dnx n SER 128 Ca 0.48 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.59 2dnx n SER 128 Cb 0.39 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 -3.43 -7.43 0.00 6.43 2.88 -1.24 -4.93 113.62 105.90 2dnx n SER 129 Ca 0.00 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 2dnx n SER 129 Cb 0.04 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.39 2dnx n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42