#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 6.80 -0.29 1.61 1.04 -1.26 -4.99 113.70 116.62 2dnx s SER 2 Ca 0.00 2.37 0.01 0.00 0.48 0.00 0.00 55.95 58.81 2dnx s SER 2 Cb 0.00 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.68 2dnx s SER 2 CO 0.00 -0.66 0.36 -0.44 0.98 0.00 0.00 173.24 173.48 2dnx s SER 3 N 1.02 0.85 0.00 7.02 0.01 -1.26 -5.13 113.70 116.21 2dnx s SER 3 Ca 0.64 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2dnx s SER 3 Cb -0.38 0.89 0.00 0.00 0.21 0.00 0.00 66.02 66.74 2dnx s SER 3 CO 0.31 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2dnx n GLY 4 N 5.34 0.35 3.15 3.44 0.00 -1.26 -5.11 105.19 111.10 2dnx n GLY 4 Ca -0.01 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.49 -0.44 0.19 1.61 1.04 -1.26 -5.05 113.70 109.30 2dnx s SER 5 Ca 0.00 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2dnx s SER 5 Cb 0.00 1.32 0.00 0.00 0.10 0.00 0.00 66.02 67.44 2dnx s SER 5 CO 0.00 -0.08 0.00 -1.54 0.98 0.00 0.00 173.24 172.60 2dnx n SER 6 N 5.29 -1.73 0.00 7.02 3.41 -1.26 -5.03 113.62 121.32 2dnx n SER 6 Ca 0.01 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2dnx n SER 6 Cb 0.56 1.85 0.00 0.00 -0.26 0.00 0.00 64.21 66.36 2dnx n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dnx n GLY 7 N -1.23 -3.12 2.39 5.00 0.00 -1.26 -4.97 105.19 102.00 2dnx n GLY 7 Ca 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.23 -1.63 -3.55 1.61 6.02 -1.26 -5.08 117.38 112.26 2dnx n GLN 8 Ca 0.00 1.61 -0.12 0.00 -0.01 0.00 0.00 57.00 58.47 2dnx n GLN 8 Cb 0.00 -4.26 -0.04 0.00 1.02 0.00 0.00 30.24 26.96 2dnx n GLN 8 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dnx s LEU 9 N -2.02 -0.05 -0.82 1.08 1.43 -1.26 -5.04 118.68 112.00 2dnx s LEU 9 Ca 0.16 -0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 2dnx s LEU 9 Cb -0.04 2.16 -0.11 0.00 0.03 0.00 0.00 46.19 48.23 2dnx s LEU 9 CO 0.51 -0.84 1.98 0.54 0.23 0.00 0.00 176.35 178.77 2dnx n ARG 10 N -0.05 1.72 -2.50 1.70 1.74 -1.26 -4.74 116.66 113.26 2dnx n ARG 10 Ca -0.17 -1.67 -0.32 0.00 -0.77 0.00 0.00 57.85 54.91 2dnx n ARG 10 Cb 0.63 -2.72 -0.04 0.00 -1.02 0.00 0.00 32.46 29.31 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 4.35 6.69 0.28 0.55 1.11 -1.26 -4.72 116.67 123.66 2dnx s ASP 11 Ca 0.49 1.58 0.00 0.00 0.18 0.00 0.00 52.55 54.80 2dnx s ASP 11 Cb 0.12 -2.51 0.66 0.00 1.07 0.00 0.00 42.92 42.27 2dnx s ASP 11 CO 0.05 -0.53 1.64 0.15 1.18 0.00 0.00 175.17 177.67 2dnx h PHE 12 N 1.14 0.28 -0.10 4.23 3.04 -1.95 1.55 116.94 125.13 2dnx h PHE 12 Ca -0.47 0.05 -0.12 0.00 3.98 0.00 0.00 57.97 61.41 2dnx h PHE 12 Cb 1.18 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 2dnx h PHE 12 CO 0.63 -0.22 -0.46 0.77 -2.02 0.00 0.00 178.31 177.02 2dnx h SER 13 N 0.19 0.27 0.04 0.41 0.02 -1.96 0.50 113.55 113.02 2dnx h SER 13 Ca 0.53 -0.12 -0.20 0.00 -0.84 0.00 0.00 61.79 61.15 2dnx h SER 13 Cb 1.05 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2dnx h SER 13 CO -0.66 0.69 -0.75 0.28 -1.14 0.00 0.00 176.83 175.25 2dnx h SER 14 N 0.21 0.73 0.03 3.07 0.02 0.66 -2.56 113.55 115.69 2dnx h SER 14 Ca 0.01 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2dnx h SER 14 Cb 0.89 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2dnx h SER 14 CO 0.07 1.24 -0.01 0.40 -1.14 0.00 0.00 176.83 177.39 2dnx h ILE 15 N 0.42 1.43 -0.14 3.27 2.04 0.19 -3.08 117.51 121.63 2dnx h ILE 15 Ca -0.04 -1.68 0.02 0.00 1.00 0.00 0.00 64.86 64.15 2dnx h ILE 15 Cb 1.35 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.92 2dnx h ILE 15 CO 0.14 0.41 -0.20 0.40 0.00 0.00 0.00 178.15 178.90 2dnx h ILE 16 N -0.80 0.00 -0.99 -0.67 2.04 -0.08 0.75 117.51 117.76 2dnx h ILE 16 Ca -0.00 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.11 2dnx h ILE 16 Cb 0.71 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.60 2dnx h ILE 16 CO 0.01 0.00 -0.05 1.56 0.00 0.00 0.00 178.15 179.67 2dnx h GLN 17 N -0.15 0.00 -0.33 2.37 4.20 -1.59 1.08 115.11 120.69 2dnx h GLN 17 Ca 0.02 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2dnx h GLN 17 Cb 0.22 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2dnx h GLN 17 CO -0.21 0.00 0.15 1.15 -0.67 0.00 0.00 178.83 179.25 2dnx h THR 18 N 0.01 1.17 -0.00 -0.54 2.02 -0.84 -1.41 112.91 113.31 2dnx h THR 18 Ca 0.57 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 67.27 2dnx h THR 18 Cb 1.09 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 2dnx h THR 18 CO -0.95 0.18 -0.14 0.00 0.37 0.00 0.00 175.52 174.97 2dnx h SER 20 N -0.24 -1.12 0.00 0.00 0.87 0.06 -1.39 113.55 111.74 2dnx h SER 20 Ca 0.05 0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 2dnx h SER 20 Cb 0.30 0.50 -0.06 0.00 -0.44 0.00 0.00 62.40 62.70 2dnx h SER 20 CO -0.14 -0.35 -0.50 1.23 -0.53 0.00 0.00 176.83 176.54 2dnx h GLY 21 N -0.33 -1.02 -0.88 5.77 0.00 -0.76 -1.84 103.07 104.02 2dnx h GLY 21 Ca 0.14 0.62 0.12 0.00 0.00 0.00 0.00 47.33 48.21 2dnx h GLY 21 CO -0.47 -0.24 -0.45 3.43 0.00 0.00 0.00 176.54 178.81 2dnx h ASN 22 N -0.65 -1.63 -0.43 0.19 2.35 -0.48 0.20 115.58 115.14 2dnx h ASN 22 Ca 0.02 0.30 0.05 0.00 -0.55 0.00 0.00 56.30 56.12 2dnx h ASN 22 Cb 0.71 0.79 -0.08 0.00 0.05 0.00 0.00 38.32 39.79 2dnx h ASN 22 CO -0.35 -0.28 -0.53 0.40 -1.65 0.00 0.00 177.43 175.02 2dnx h ILE 23 N -0.05 0.00 -0.67 2.81 2.04 -0.50 0.12 117.51 121.27 2dnx h ILE 23 Ca 0.26 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.19 2dnx h ILE 23 Cb 0.54 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 2dnx h ILE 23 CO -0.91 0.00 -0.48 1.56 0.00 0.00 0.00 178.15 178.32 2dnx h GLN 24 N -0.34 -0.11 -0.36 2.37 1.08 0.10 0.11 115.11 117.96 2dnx h GLN 24 Ca 0.08 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.34 2dnx h GLN 24 Cb 0.55 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.92 2dnx h GLN 24 CO -0.59 -0.07 -0.49 0.00 -0.95 0.00 0.00 178.83 176.73 2dnx h ARG 25 N -0.11 -0.38 -0.83 1.46 -0.00 -0.13 1.19 114.38 115.58 2dnx h ARG 25 Ca 0.11 0.03 0.17 0.00 -0.50 0.00 0.00 59.98 59.78 2dnx h ARG 25 Cb 0.39 0.09 -0.16 0.00 0.00 0.00 0.00 29.97 30.29 2dnx h ARG 25 CO -0.69 -0.25 -0.20 0.82 0.00 0.00 0.00 179.97 179.65 2dnx h ILE 26 N -0.40 0.17 -0.09 2.04 2.04 0.89 1.64 117.51 123.81 2dnx h ILE 26 Ca 0.10 -0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.86 2dnx h ILE 26 Cb 0.61 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2dnx h ILE 26 CO -0.56 0.00 -0.39 -1.28 0.00 0.00 0.00 178.15 175.92 2dnx h SER 27 N 0.00 0.19 0.30 1.72 0.87 0.15 -1.91 113.55 114.88 2dnx h SER 27 Ca 0.40 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 2dnx h SER 27 Cb 0.61 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2dnx h SER 27 CO -0.85 0.57 -0.14 1.56 -0.53 0.00 0.00 176.83 177.44 2dnx h GLN 28 N 0.16 -0.39 -0.93 2.24 4.20 1.11 -2.04 115.11 119.46 2dnx h GLN 28 Ca 0.02 0.03 0.24 0.00 0.06 0.00 0.00 58.65 58.99 2dnx h GLN 28 Cb 0.77 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.51 2dnx h GLN 28 CO 0.06 -0.26 0.45 0.00 -0.67 0.00 0.00 178.83 178.41 2dnx h ALA 29 N -1.67 1.55 -0.06 3.87 0.00 0.44 1.54 119.26 124.93 2dnx h ALA 29 Ca -0.04 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2dnx h ALA 29 Cb 0.31 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dnx h ALA 29 CO 0.07 -0.35 0.04 1.15 0.00 0.00 0.00 179.25 180.16 2dnx h THR 30 N 0.43 0.93 0.10 0.00 2.02 -1.32 -0.31 112.91 114.75 2dnx h THR 30 Ca 0.59 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 67.49 2dnx h THR 30 Cb 1.16 0.97 0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2dnx h THR 30 CO -0.53 0.00 -1.19 0.00 0.37 0.00 0.00 175.52 174.17 2dnx h ALA 31 N 1.97 0.09 -0.81 6.16 0.00 0.29 -3.01 119.26 123.95 2dnx h ALA 31 Ca 0.03 -0.78 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 2dnx h ALA 31 Cb 0.11 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2dnx h ALA 31 CO -0.00 0.77 0.38 1.96 0.00 0.00 0.00 179.25 182.36 2dnx h GLN 32 N 0.23 1.16 -0.67 0.00 4.20 0.43 0.58 115.11 121.03 2dnx h GLN 32 Ca -0.16 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 2dnx h GLN 32 Cb 1.87 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 29.41 2dnx h GLN 32 CO 0.22 0.89 0.33 0.82 -0.67 0.00 0.00 178.83 180.42 2dnx h ILE 33 N 1.15 1.22 -0.21 2.54 2.04 -1.15 1.59 117.51 124.69 2dnx h ILE 33 Ca 0.28 -0.62 -0.11 0.00 1.00 0.00 0.00 64.86 65.40 2dnx h ILE 33 Cb 0.12 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2dnx h ILE 33 CO -0.03 0.26 -0.30 0.11 0.00 0.00 0.00 178.15 178.18 2dnx h LYS 34 N 0.92 0.57 -0.39 2.37 1.57 -1.27 0.59 116.57 120.94 2dnx h LYS 34 Ca 0.23 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2dnx h LYS 34 Cb 0.11 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2dnx h LYS 34 CO -0.03 0.94 0.08 -0.91 -0.57 0.00 0.00 179.45 178.96 2dnx h ASN 35 N 0.25 0.61 0.62 0.86 2.35 0.48 -2.35 115.58 118.39 2dnx h ASN 35 Ca 0.02 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.42 2dnx h ASN 35 Cb 0.88 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2dnx h ASN 35 CO 0.07 0.70 -0.46 -0.07 -1.65 0.00 0.00 177.43 176.02 2dnx h LEU 36 N 0.49 0.00 0.02 1.61 3.38 0.23 -3.22 115.31 117.82 2dnx h LEU 36 Ca 0.12 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2dnx h LEU 36 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2dnx h LEU 36 CO 0.01 0.46 -0.18 -0.03 0.09 0.00 0.00 178.44 178.79 2dnx h MET 37 N 0.00 -0.23 -0.66 1.13 4.05 0.75 -2.18 114.93 117.79 2dnx h MET 37 Ca -0.00 0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.57 2dnx h MET 37 Cb 0.90 0.05 -0.12 0.00 -0.80 0.00 0.00 31.60 31.63 2dnx h MET 37 CO 0.06 -0.15 -0.07 0.77 0.23 0.00 0.00 176.91 177.75 2dnx h SER 38 N -0.24 -0.43 -0.99 1.39 0.02 -1.59 0.62 113.55 112.33 2dnx h SER 38 Ca 0.00 0.18 0.19 0.00 -0.84 0.00 0.00 61.79 61.32 2dnx h SER 38 Cb 0.25 0.35 -0.18 0.00 0.14 0.00 0.00 62.40 62.95 2dnx h SER 38 CO -0.11 -0.17 -0.27 1.56 -1.14 0.00 0.00 176.83 176.69 2dnx h GLN 39 N 0.06 -0.00 -0.79 3.45 4.20 -1.43 1.52 115.11 122.12 2dnx h GLN 39 Ca 0.34 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 2dnx h GLN 39 Cb 0.55 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 2dnx h GLN 39 CO -0.62 -0.00 0.47 -0.07 -0.67 0.00 0.00 178.83 177.94 2dnx h LEU 40 N -0.00 0.95 -6.31 1.46 3.38 -0.30 -3.28 115.31 111.21 2dnx h LEU 40 Ca 0.45 -0.07 -0.52 0.00 0.09 0.00 0.00 57.88 57.84 2dnx h LEU 40 Cb 0.70 -0.24 0.06 0.00 0.09 0.00 0.00 40.66 41.26 2dnx h LEU 40 CO -1.01 0.74 2.05 0.61 0.09 0.00 0.00 178.44 180.92 2dnx n GLY 41 N -1.19 2.19 2.72 0.83 0.00 0.52 -4.21 105.19 106.05 2dnx n GLY 41 Ca 0.08 -0.99 -0.06 0.00 0.00 0.00 0.00 46.02 45.05 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 5.71 0.94 0.00 2.61 -2.24 -1.24 -4.95 114.28 115.11 2dnx n THR 42 Ca 0.43 -2.77 0.00 0.00 -2.27 0.00 0.00 64.05 59.44 2dnx n THR 42 Cb 0.31 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.35 0.00 -3.17 -0.78 4.76 -1.26 -4.79 118.16 112.57 2dnx n LYS 43 Ca 0.06 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.30 2dnx n LYS 43 Cb 0.82 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 34.05 2dnx n LYS 43 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2dnx s GLN 44 N 0.00 2.37 0.17 1.97 -0.21 -1.26 -5.14 119.66 117.56 2dnx s GLN 44 Ca 0.00 -1.64 -0.01 0.00 0.02 0.00 0.00 55.36 53.73 2dnx s GLN 44 Cb 0.00 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 2dnx s GLN 44 CO 0.00 -0.73 0.09 0.16 -2.12 0.00 0.00 175.29 172.69 2dnx s ASP 45 N -4.56 0.30 -0.03 5.90 1.47 -1.26 -4.62 116.67 113.88 2dnx s ASP 45 Ca 0.57 -1.30 -0.01 0.00 1.18 0.00 0.00 52.55 52.99 2dnx s ASP 45 Cb -0.06 0.33 0.03 0.00 -0.34 0.00 0.00 42.92 42.88 2dnx s ASP 45 CO 0.35 -0.78 0.05 -0.44 0.68 0.00 0.00 175.17 175.04 2dnx s SER 46 N -3.12 0.02 0.50 2.11 0.01 -1.26 -5.02 113.70 106.95 2dnx s SER 46 Ca 0.32 0.09 0.18 0.00 1.31 0.00 0.00 55.95 57.85 2dnx s SER 46 Cb 0.07 -0.01 1.25 0.00 0.21 0.00 0.00 66.02 67.54 2dnx s SER 46 CO 0.07 -0.12 2.09 0.28 0.41 0.00 0.00 173.24 175.97 2dnx h SER 47 N 7.11 0.00 -0.17 2.44 0.02 -2.02 -0.27 113.55 120.66 2dnx h SER 47 Ca -0.42 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.58 2dnx h SER 47 Cb 1.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2dnx h SER 47 CO 0.47 0.09 0.14 0.11 -1.14 0.00 0.00 176.83 176.50 2dnx h LYS 48 N 0.00 0.00 0.00 3.45 1.79 -1.99 -0.18 116.57 119.63 2dnx h LYS 48 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2dnx h LYS 48 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2dnx h LYS 48 CO 0.01 0.00 -0.28 -0.07 -1.08 0.00 0.00 179.45 178.03 2dnx h LEU 49 N 0.00 0.00 -0.97 2.94 3.38 -1.49 -3.09 115.31 116.09 2dnx h LEU 49 Ca 0.08 0.00 0.37 0.00 0.09 0.00 0.00 57.88 58.42 2dnx h LEU 49 Cb 0.35 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.93 2dnx h LEU 49 CO -0.00 0.58 0.38 0.00 0.09 0.00 0.00 178.44 179.49 2dnx n GLN 50 N -4.37 -0.06 -0.08 1.13 6.02 -0.89 0.19 117.38 119.32 2dnx n GLN 50 Ca -0.04 1.36 -0.12 0.00 -0.01 0.00 0.00 57.00 58.19 2dnx n GLN 50 Cb 0.15 -2.37 -0.05 0.00 1.02 0.00 0.00 30.24 28.99 2dnx n GLN 50 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2dnx h GLU 51 N 0.00 0.47 -0.51 -1.09 4.22 -1.19 -2.92 114.58 113.57 2dnx h GLU 51 Ca 0.76 -0.20 0.09 0.00 0.08 0.00 0.00 59.36 60.08 2dnx h GLU 51 Cb 1.91 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 31.07 2dnx h GLU 51 CO -0.79 0.73 0.11 -0.97 -2.18 0.00 0.00 179.01 175.91 2dnx h ASN 52 N 0.20 0.03 -0.01 1.04 -0.73 0.22 -0.51 115.58 115.82 2dnx h ASN 52 Ca 0.06 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.32 2dnx h ASN 52 Cb 0.57 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 2dnx h ASN 52 CO 0.03 0.04 -0.11 -0.07 -0.37 0.00 0.00 177.43 176.95 2dnx h LEU 53 N 0.25 -0.35 -0.57 0.34 3.38 -0.80 0.31 115.31 117.87 2dnx h LEU 53 Ca 0.25 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.32 2dnx h LEU 53 Cb 0.34 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 2dnx h LEU 53 CO -0.32 -0.11 -0.50 1.56 0.09 0.00 0.00 178.44 179.16 2dnx h GLN 54 N -0.14 -0.19 -0.87 1.13 4.20 -1.29 0.96 115.11 118.90 2dnx h GLN 54 Ca 0.00 0.01 0.22 0.00 0.06 0.00 0.00 58.65 58.95 2dnx h GLN 54 Cb 0.15 0.04 -0.15 0.00 0.30 0.00 0.00 27.48 27.82 2dnx h GLN 54 CO -0.08 -0.13 0.08 1.96 -0.67 0.00 0.00 178.83 179.99 2dnx h GLN 55 N -0.20 0.10 -0.33 1.46 1.08 -0.79 1.52 115.11 117.94 2dnx h GLN 55 Ca 0.09 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 2dnx h GLN 55 Cb 0.45 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2dnx h GLN 55 CO -0.64 0.06 -0.22 -0.07 -0.95 0.00 0.00 178.83 177.01 2dnx h LEU 56 N 0.10 0.63 0.24 1.46 3.38 0.34 -1.52 115.31 119.93 2dnx h LEU 56 Ca 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2dnx h LEU 56 Cb 1.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2dnx h LEU 56 CO -0.75 0.84 -0.11 1.56 0.09 0.00 0.00 178.44 180.07 2dnx h GLN 57 N 0.55 -0.31 -0.56 1.13 4.20 0.90 -2.60 115.11 118.43 2dnx h GLN 57 Ca 0.08 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.88 2dnx h GLN 57 Cb 0.68 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.43 2dnx h GLN 57 CO 0.05 -0.21 -0.56 1.25 -0.67 0.00 0.00 178.83 178.70 2dnx h HIS 58 N -0.46 -1.73 -0.90 2.96 2.76 0.58 0.28 115.15 118.65 2dnx h HIS 58 Ca -0.03 0.09 0.08 0.00 -2.20 0.00 0.00 60.37 58.31 2dnx h HIS 58 Cb 0.25 0.83 -0.11 0.00 1.55 0.00 0.00 27.41 29.92 2dnx h HIS 58 CO 0.09 -0.46 -0.53 0.45 -1.30 0.00 0.00 177.93 176.18 2dnx n SER 59 N -5.35 -0.96 -0.22 3.26 2.88 -0.57 0.87 113.62 113.52 2dnx n SER 59 Ca -0.02 1.65 0.00 0.00 -1.33 0.00 0.00 58.87 59.18 2dnx n SER 59 Cb 0.32 -0.23 0.12 0.00 -0.75 0.00 0.00 64.21 63.67 2dnx n SER 59 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2dnx h THR 60 N 0.00 0.83 -0.22 2.46 2.02 -0.72 -0.47 112.91 116.82 2dnx h THR 60 Ca 0.14 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2dnx h THR 60 Cb 0.37 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 2dnx h THR 60 CO -0.85 0.10 -0.24 -1.13 0.37 0.00 0.00 175.52 173.77 2dnx h ASN 61 N 0.53 -0.83 -0.12 4.18 -1.24 0.40 0.11 115.58 118.61 2dnx h ASN 61 Ca 0.32 0.11 0.04 0.00 0.71 0.00 0.00 56.30 57.49 2dnx h ASN 61 Cb 0.35 0.34 -0.05 0.00 0.73 0.00 0.00 38.32 39.69 2dnx h ASN 61 CO -0.27 -0.16 -0.22 1.56 -1.29 0.00 0.00 177.43 177.05 2dnx h GLN 62 N -0.15 -0.27 -0.97 6.67 4.20 -0.85 -0.68 115.11 123.06 2dnx h GLN 62 Ca 0.04 0.02 0.29 0.00 0.06 0.00 0.00 58.65 59.05 2dnx h GLN 62 Cb 0.25 0.06 -0.18 0.00 0.30 0.00 0.00 27.48 27.91 2dnx h GLN 62 CO -0.28 -0.18 0.09 1.28 -0.67 0.00 0.00 178.83 179.06 2dnx n LEU 63 N -5.35 -0.05 -0.06 1.46 4.77 -0.22 0.19 117.00 117.74 2dnx n LEU 63 Ca -0.03 1.65 -0.12 0.00 -0.03 0.00 0.00 56.01 57.48 2dnx n LEU 63 Cb 0.26 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2dnx n LEU 63 CO 0.19 -1.69 0.72 0.00 -1.33 0.00 0.00 177.39 175.28 2dnx h ALA 64 N 1.94 0.24 -0.96 -1.18 0.00 0.58 -1.33 119.26 118.55 2dnx h ALA 64 Ca 0.62 -0.23 0.26 0.00 0.00 0.00 0.00 54.91 55.56 2dnx h ALA 64 Cb 1.34 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 2dnx h ALA 64 CO -0.89 -0.01 0.49 0.87 0.00 0.00 0.00 179.25 179.71 2dnx h LYS 65 N 0.05 0.40 0.08 0.00 6.56 0.33 0.98 116.57 124.98 2dnx h LYS 65 Ca 0.05 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2dnx h LYS 65 Cb 0.46 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 2dnx h LYS 65 CO 0.02 0.27 -0.04 0.93 -2.06 0.00 0.00 179.45 178.56 2dnx h GLU 66 N 0.41 -0.11 -0.70 3.15 5.08 -0.59 -2.54 114.58 119.29 2dnx h GLU 66 Ca 0.64 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 59.12 2dnx h GLU 66 Cb 1.31 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.46 2dnx h GLU 66 CO -0.55 0.37 -0.39 1.15 -1.00 0.00 0.00 179.01 178.59 2dnx h THR 67 N -0.66 0.09 -0.94 1.13 2.02 0.27 1.19 112.91 116.02 2dnx h THR 67 Ca -0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.23 2dnx h THR 67 Cb 0.53 0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 2dnx h THR 67 CO 0.02 0.00 0.59 0.78 0.37 0.00 0.00 175.52 177.28 2dnx h ASN 68 N -0.14 0.94 -0.41 4.18 4.21 -1.08 0.72 115.58 124.00 2dnx h ASN 68 Ca 0.24 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.74 2dnx h ASN 68 Cb 0.56 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.56 2dnx h ASN 68 CO -0.77 0.60 0.16 -0.33 -1.29 0.00 0.00 177.43 175.80 2dnx h GLU 69 N 1.07 0.62 0.12 0.81 5.08 0.75 -2.04 114.58 121.00 2dnx h GLU 69 Ca 0.41 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2dnx h GLU 69 Cb 0.18 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2dnx h GLU 69 CO -0.18 0.58 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.28 2dnx h LEU 70 N 0.52 -0.14 -1.65 1.33 3.38 0.21 -0.57 115.31 118.40 2dnx h LEU 70 Ca 0.14 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 57.97 2dnx h LEU 70 Cb 0.19 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2dnx h LEU 70 CO -0.01 0.18 0.60 -0.07 0.09 0.00 0.00 178.44 179.23 2dnx h LEU 71 N -0.46 0.00 0.16 1.67 3.38 0.51 1.46 115.31 122.03 2dnx h LEU 71 Ca -0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 2dnx h LEU 71 Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.13 2dnx h LEU 71 CO 0.03 0.00 -1.61 0.11 0.09 0.00 0.00 178.44 177.06 2dnx h LYS 72 N 0.00 0.34 0.00 1.13 1.57 -0.71 -3.25 116.57 115.65 2dnx h LYS 72 Ca 0.18 -0.59 -0.06 0.00 -1.87 0.00 0.00 60.65 58.32 2dnx h LYS 72 Cb 1.38 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 2dnx h LYS 72 CO -0.00 1.28 -0.26 1.05 -0.57 0.00 0.00 179.45 180.95 2dnx h GLU 73 N -0.05 0.00 0.21 3.15 4.11 0.23 -2.57 114.58 119.65 2dnx h GLU 73 Ca -0.32 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.10 2dnx h GLU 73 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 2dnx h GLU 73 CO 0.14 0.26 -0.10 1.25 0.07 0.00 0.00 179.01 180.63 2dnx h LEU 74 N 0.00 -0.24 -2.11 3.06 6.46 0.15 -2.64 115.31 119.99 2dnx h LEU 74 Ca -0.00 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.85 2dnx h LEU 74 Cb 0.82 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 2dnx h LEU 74 CO 0.03 -0.14 0.31 1.23 -0.62 0.00 0.00 178.44 179.26 2dnx h GLY 75 N -0.33 0.00 1.03 3.75 0.00 -1.62 0.10 103.07 105.99 2dnx h GLY 75 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2dnx h GLY 75 CO 0.05 0.00 0.48 0.23 0.00 0.00 0.00 176.54 177.30 2dnx h SER 76 N 0.00 1.10 -2.78 0.19 0.87 -1.30 -3.44 113.55 108.19 2dnx h SER 76 Ca 0.14 -0.10 -0.55 0.00 -1.23 0.00 0.00 61.79 60.04 2dnx h SER 76 Cb 0.76 -0.28 0.21 0.00 -0.44 0.00 0.00 62.40 62.65 2dnx h SER 76 CO -0.00 0.88 -0.98 0.18 -0.53 0.00 0.00 176.83 176.38 2dnx n LEU 77 N -4.35 -2.07 0.00 2.23 4.77 0.35 -4.96 117.00 112.97 2dnx n LEU 77 Ca 0.09 0.39 -0.26 0.00 -0.03 0.00 0.00 56.01 56.20 2dnx n LEU 77 Cb 0.10 -1.04 0.20 0.00 -2.33 0.00 0.00 43.42 40.35 2dnx n LEU 77 CO 0.39 -4.35 0.66 -0.81 -1.33 0.00 0.00 177.39 171.94 2dnx n PRO 78 N 0.17 -2.03 -4.42 3.23 -0.04 -1.26 -5.05 135.00 125.59 2dnx n PRO 78 Ca 0.05 -1.69 -0.30 0.00 -0.04 0.00 0.00 63.50 61.53 2dnx n PRO 78 Cb 0.53 -1.33 -0.12 0.00 -0.04 0.00 0.00 33.50 32.53 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 2.55 0.85 1.53 1.02 -1.26 -5.10 118.68 118.27 2dnx s LEU 79 Ca 0.65 -0.59 -0.12 0.00 0.02 0.00 0.00 54.13 54.09 2dnx s LEU 79 Cb -0.04 -1.44 0.10 0.00 0.02 0.00 0.00 46.19 44.83 2dnx s LEU 79 CO 0.48 0.20 1.12 -2.16 0.02 0.00 0.00 176.35 176.00 2dnx s PRO 80 N -1.95 1.65 0.29 1.29 0.04 -1.26 -4.96 135.00 130.10 2dnx s PRO 80 Ca 0.16 0.47 0.06 0.00 0.04 0.00 0.00 61.00 61.73 2dnx s PRO 80 Cb -0.10 -1.88 0.44 0.00 0.04 0.00 0.00 34.50 32.99 2dnx s PRO 80 CO 0.08 -1.89 1.70 -0.07 0.04 0.00 0.00 177.00 176.86 2dnx h LEU 81 N -1.28 0.30 -9.65 -3.56 -0.00 -2.01 -3.43 115.31 95.68 2dnx h LEU 81 Ca -0.49 -0.12 -0.52 0.00 -0.00 0.00 0.00 57.88 56.75 2dnx h LEU 81 Cb 1.30 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.85 2dnx h LEU 81 CO 0.61 0.67 0.26 -0.44 -0.00 0.00 0.00 178.44 179.53 2dnx s SER 82 N -6.87 7.44 0.43 -0.43 0.01 -1.26 -4.94 113.70 108.08 2dnx s SER 82 Ca -0.05 1.71 0.25 0.00 1.31 0.00 0.00 55.95 59.17 2dnx s SER 82 Cb 0.13 -2.54 0.53 0.00 0.21 0.00 0.00 66.02 64.35 2dnx s SER 82 CO 0.78 0.09 1.68 0.74 0.41 0.00 0.00 173.24 176.93 2dnx h THR 83 N 3.63 0.00 -0.59 1.44 2.02 -2.00 -3.07 112.91 114.34 2dnx h THR 83 Ca -0.45 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 65.78 2dnx h THR 83 Cb 1.21 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 2dnx h THR 83 CO 0.69 0.00 0.09 0.77 0.37 0.00 0.00 175.52 177.44 2dnx h SER 84 N 0.00 0.94 1.41 4.18 4.64 -1.96 -2.33 113.55 120.42 2dnx h SER 84 Ca 0.00 -0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 2dnx h SER 84 Cb 0.90 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2dnx h SER 84 CO 0.00 0.96 -0.29 -0.33 -0.87 0.00 0.00 176.83 176.30 2dnx h GLU 85 N 0.88 0.00 0.11 4.77 4.39 -1.95 -2.86 114.58 119.91 2dnx h GLU 85 Ca 0.18 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 2dnx h GLU 85 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2dnx h GLU 85 CO 0.01 0.29 -0.05 1.96 -1.16 0.00 0.00 179.01 180.06 2dnx h GLN 86 N 0.00 -0.14 0.26 2.33 4.20 -1.34 -1.18 115.11 119.25 2dnx h GLN 86 Ca -0.00 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2dnx h GLN 86 Cb 1.07 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.89 2dnx h GLN 86 CO 0.04 0.07 -0.12 -0.09 -0.67 0.00 0.00 178.83 178.05 2dnx h ARG 87 N -0.32 -0.33 -0.94 1.46 2.43 -1.49 -2.11 114.38 113.09 2dnx h ARG 87 Ca -0.01 0.02 0.27 0.00 -0.81 0.00 0.00 59.98 59.45 2dnx h ARG 87 Cb 0.27 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2dnx h ARG 87 CO 0.02 -0.06 0.70 1.96 -1.51 0.00 0.00 179.97 181.08 2dnx h GLN 88 N -0.58 0.00 0.18 0.20 1.08 -1.52 1.15 115.11 115.61 2dnx h GLN 88 Ca -0.04 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2dnx h GLN 88 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2dnx h GLN 88 CO 0.06 0.00 -0.09 1.96 -0.95 0.00 0.00 178.83 179.81 2dnx h GLN 89 N 0.00 -0.23 -0.98 1.46 4.20 -0.77 -2.41 115.11 116.38 2dnx h GLN 89 Ca 0.44 0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.24 2dnx h GLN 89 Cb 1.84 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 29.60 2dnx h GLN 89 CO -0.00 -0.15 0.63 0.07 -0.67 0.00 0.00 178.83 178.70 2dnx h ARG 90 N -0.48 1.10 -0.48 1.46 0.11 -0.70 -1.19 114.38 114.19 2dnx h ARG 90 Ca -0.02 -0.07 0.08 0.00 0.10 0.00 0.00 59.98 60.07 2dnx h ARG 90 Cb 0.18 -0.25 -0.06 0.00 1.11 0.00 0.00 29.97 30.95 2dnx h ARG 90 CO 0.04 0.73 0.12 -0.07 0.10 0.00 0.00 179.97 180.88 2dnx h LEU 91 N 1.13 0.05 0.19 0.08 3.38 0.12 0.79 115.31 121.06 2dnx h LEU 91 Ca 0.42 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 2dnx h LEU 91 Cb 0.19 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dnx h LEU 91 CO -0.17 0.06 -0.09 1.56 0.09 0.00 0.00 178.44 179.89 2dnx h GLN 92 N 0.26 -0.25 -0.55 1.13 1.08 -0.72 -2.46 115.11 113.61 2dnx h GLN 92 Ca 0.24 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.52 2dnx h GLN 92 Cb 0.30 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.73 2dnx h GLN 92 CO -0.29 -0.12 0.25 -0.22 -0.95 0.00 0.00 178.83 177.50 2dnx h LYS 93 N -0.31 0.46 -0.63 1.46 3.64 -0.62 -0.42 116.57 120.15 2dnx h LYS 93 Ca -0.03 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.45 2dnx h LYS 93 Cb 0.24 -0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 31.83 2dnx h LYS 93 CO 0.04 0.31 -0.20 0.93 -2.27 0.00 0.00 179.45 178.26 2dnx h GLU 94 N 0.48 -0.03 -0.18 1.90 4.39 0.89 0.24 114.58 122.26 2dnx h GLU 94 Ca 0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 2dnx h GLU 94 Cb 0.22 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2dnx h GLU 94 CO -0.21 -0.02 0.05 0.00 -1.16 0.00 0.00 179.01 177.67 2dnx h ARG 95 N -0.04 0.28 -0.35 2.33 2.47 -0.88 -2.53 114.38 115.66 2dnx h ARG 95 Ca 0.30 -0.06 0.07 0.00 -1.26 0.00 0.00 59.98 59.03 2dnx h ARG 95 Cb 0.49 -0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.69 2dnx h ARG 95 CO -0.67 0.40 -0.37 -0.07 0.56 0.00 0.00 179.97 179.81 2dnx h LEU 96 N 0.11 -1.22 -0.54 3.04 3.38 0.62 0.92 115.31 121.62 2dnx h LEU 96 Ca 0.06 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.33 2dnx h LEU 96 Cb 0.23 0.54 -0.10 0.00 0.09 0.00 0.00 40.66 41.43 2dnx h LEU 96 CO -0.00 -0.35 -0.06 0.24 0.09 0.00 0.00 178.44 178.35 2dnx h MET 97 N -0.32 0.06 0.81 1.13 2.86 -0.51 0.48 114.93 119.44 2dnx h MET 97 Ca 0.14 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2dnx h MET 97 Cb 0.57 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.22 2dnx h MET 97 CO -0.52 0.04 -0.39 -0.91 1.06 0.00 0.00 176.91 176.19 2dnx h ASN 98 N 0.06 -0.92 -0.73 1.22 2.35 -0.62 -1.41 115.58 115.52 2dnx h ASN 98 Ca 0.27 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 56.15 2dnx h ASN 98 Cb 0.42 0.24 -0.12 0.00 0.05 0.00 0.00 38.32 38.92 2dnx h ASN 98 CO -0.51 -0.60 -0.48 0.44 -1.65 0.00 0.00 177.43 174.63 2dnx h ASP 99 N -1.21 -1.69 -0.82 5.81 3.32 0.13 0.59 116.42 122.55 2dnx h ASP 99 Ca -0.11 0.28 0.19 0.00 0.02 0.00 0.00 57.03 57.40 2dnx h ASP 99 Cb 0.84 0.77 -0.12 0.00 0.22 0.00 0.00 39.33 41.04 2dnx h ASP 99 CO 0.18 -0.31 0.29 0.15 -1.72 0.00 0.00 179.24 177.83 2dnx h PHE 100 N -0.16 0.46 0.82 4.55 3.57 -0.00 -1.33 116.94 124.86 2dnx h PHE 100 Ca 0.19 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2dnx h PHE 100 Cb 0.54 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2dnx h PHE 100 CO -0.81 -0.06 -0.46 1.03 -2.23 0.00 0.00 178.31 175.77 2dnx h SER 101 N 0.34 -1.14 -1.21 0.41 0.87 0.12 0.60 113.55 113.54 2dnx h SER 101 Ca 0.49 0.06 0.39 0.00 -1.23 0.00 0.00 61.79 61.49 2dnx h SER 101 Cb 0.87 0.32 -0.13 0.00 -0.44 0.00 0.00 62.40 63.03 2dnx h SER 101 CO -0.52 -0.74 0.76 0.00 -0.53 0.00 0.00 176.83 175.80 2dnx h ALA 102 N -1.08 2.51 0.02 6.23 0.00 0.11 1.47 119.26 128.51 2dnx h ALA 102 Ca -0.11 0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 2dnx h ALA 102 Cb 0.94 0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.93 2dnx h ALA 102 CO 0.14 -1.11 -0.80 0.00 0.00 0.00 0.00 179.25 177.48 2dnx h ALA 103 N 1.67 0.07 0.61 0.00 0.00 -0.46 -3.05 119.26 118.10 2dnx h ALA 103 Ca 0.78 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2dnx h ALA 103 Cb 2.26 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 20.09 2dnx h ALA 103 CO -0.45 0.48 -0.50 1.25 0.00 0.00 0.00 179.25 180.03 2dnx h LEU 104 N 0.06 -1.32 -0.88 0.00 5.85 0.74 -2.08 115.31 117.68 2dnx h LEU 104 Ca -0.10 0.09 0.21 0.00 0.84 0.00 0.00 57.88 58.92 2dnx h LEU 104 Cb 1.50 0.42 -0.16 0.00 0.37 0.00 0.00 40.66 42.78 2dnx h LEU 104 CO 0.16 -0.69 -0.06 -1.13 -0.34 0.00 0.00 178.44 176.37 2dnx h ASN 105 N -1.07 -0.55 -0.34 1.25 -0.73 -0.35 0.31 115.58 114.09 2dnx h ASN 105 Ca -0.08 0.25 0.05 0.00 1.87 0.00 0.00 56.30 58.39 2dnx h ASN 105 Cb 0.90 0.46 -0.08 0.00 0.27 0.00 0.00 38.32 39.87 2dnx h ASN 105 CO 0.00 -0.28 -0.50 -1.13 -0.37 0.00 0.00 177.43 175.15 2dnx h ASN 106 N 0.04 -1.65 -0.80 1.15 -0.73 -1.28 0.24 115.58 112.56 2dnx h ASN 106 Ca 0.48 0.22 0.15 0.00 1.87 0.00 0.00 56.30 59.02 2dnx h ASN 106 Cb 0.87 0.69 -0.10 0.00 0.27 0.00 0.00 38.32 40.05 2dnx h ASN 106 CO -0.84 -0.41 0.36 0.15 -0.37 0.00 0.00 177.43 176.32 2dnx h PHE 107 N -0.42 0.62 0.34 0.67 3.57 0.09 -0.68 116.94 121.13 2dnx h PHE 107 Ca 0.09 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2dnx h PHE 107 Cb 0.61 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 2dnx h PHE 107 CO -0.65 0.11 -0.22 1.96 -2.23 0.00 0.00 178.31 177.28 2dnx h GLN 108 N 0.51 -0.50 -0.70 1.11 4.20 0.54 1.20 115.11 121.47 2dnx h GLN 108 Ca 0.44 0.03 0.20 0.00 0.06 0.00 0.00 58.65 59.38 2dnx h GLN 108 Cb 0.65 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 2dnx h GLN 108 CO -0.39 -0.34 0.81 0.00 -0.67 0.00 0.00 178.83 178.24 2dnx h ALA 109 N -1.58 2.50 0.18 3.87 0.00 -0.30 1.36 119.26 125.29 2dnx h ALA 109 Ca -0.05 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 2dnx h ALA 109 Cb 0.42 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.28 2dnx h ALA 109 CO 0.04 -1.17 -1.43 0.28 0.00 0.00 0.00 179.25 176.98 2dnx h VAL 110 N 0.00 1.15 -0.94 0.00 2.07 0.00 -3.19 116.25 115.34 2dnx h VAL 110 Ca 0.33 -2.53 0.10 0.00 0.82 0.00 0.00 66.70 65.42 2dnx h VAL 110 Cb 1.95 2.90 -0.07 0.00 -1.52 0.00 0.00 31.29 34.55 2dnx h VAL 110 CO -0.00 0.78 0.60 0.06 0.02 0.00 0.00 177.57 179.03 2dnx h GLN 111 N -0.08 0.92 0.64 1.57 3.07 1.11 -0.57 115.11 121.77 2dnx h GLN 111 Ca -0.28 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 58.38 2dnx h GLN 111 Cb 1.94 -0.21 0.01 0.00 0.08 0.00 0.00 27.48 29.30 2dnx h GLN 111 CO 0.17 0.61 -0.31 -0.09 0.09 0.00 0.00 178.83 179.30 2dnx h ARG 112 N 0.95 -0.83 -0.73 0.06 1.12 -1.21 0.63 114.38 114.37 2dnx h ARG 112 Ca 0.44 0.06 0.15 0.00 -1.11 0.00 0.00 59.98 59.52 2dnx h ARG 112 Cb 0.41 0.19 -0.11 0.00 -0.01 0.00 0.00 29.97 30.45 2dnx h ARG 112 CO -0.20 -0.51 0.20 0.00 -3.11 0.00 0.00 179.97 176.35 2dnx h ARG 113 N -0.99 0.30 0.68 0.20 2.47 -1.42 0.21 114.38 115.82 2dnx h ARG 113 Ca -0.09 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.58 2dnx h ARG 113 Cb 0.69 -0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.95 2dnx h ARG 113 CO 0.14 0.20 -0.33 0.28 0.56 0.00 0.00 179.97 180.82 2dnx h VAL 114 N 0.31 0.33 -1.01 2.04 2.07 -0.97 -1.94 116.25 117.08 2dnx h VAL 114 Ca 0.41 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.17 2dnx h VAL 114 Cb 0.68 0.33 -0.11 0.00 -1.52 0.00 0.00 31.29 30.67 2dnx h VAL 114 CO -0.48 0.00 0.62 0.77 0.02 0.00 0.00 177.57 178.50 2dnx h SER 115 N -0.91 0.63 -0.29 0.57 4.64 0.32 0.24 113.55 118.76 2dnx h SER 115 Ca -0.09 0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 2dnx h SER 115 Cb 0.70 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 2dnx h SER 115 CO 0.15 0.13 0.14 -0.08 -0.87 0.00 0.00 176.83 176.30 2dnx h GLU 116 N 0.57 0.28 -0.77 4.77 4.22 -0.04 0.95 114.58 124.56 2dnx h GLU 116 Ca 0.62 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 60.08 2dnx h GLU 116 Cb 1.24 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 2dnx h GLU 116 CO -0.41 0.19 0.51 0.87 -2.18 0.00 0.00 179.01 177.98 2dnx h LYS 117 N 0.29 0.89 0.00 1.92 1.79 0.17 0.18 116.57 121.81 2dnx h LYS 117 Ca 0.12 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2dnx h LYS 117 Cb 0.05 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 2dnx h LYS 117 CO -0.09 0.59 -0.10 0.93 -1.08 0.00 0.00 179.45 179.70 2dnx h GLU 118 N 0.92 0.00 -0.04 3.15 4.39 -0.21 -3.00 114.58 119.78 2dnx h GLU 118 Ca 0.31 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.87 2dnx h GLU 118 Cb 0.10 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2dnx h GLU 118 CO -0.10 0.00 -0.54 -0.22 -1.16 0.00 0.00 179.01 177.00 2dnx h LYS 119 N 0.00 0.44 -0.55 2.33 3.64 0.38 -2.94 116.57 119.86 2dnx h LYS 119 Ca 0.00 -0.42 -0.10 0.00 -1.27 0.00 0.00 60.65 58.87 2dnx h LYS 119 Cb 0.85 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 2dnx h LYS 119 CO 0.00 1.06 -0.04 0.93 -2.27 0.00 0.00 179.45 179.14 2dnx h GLU 120 N -0.03 0.98 0.39 1.90 5.08 -1.18 1.01 114.58 122.73 2dnx h GLU 120 Ca -0.05 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2dnx h GLU 120 Cb 1.22 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2dnx h GLU 120 CO 0.11 0.99 -0.52 1.03 -1.00 0.00 0.00 179.01 179.62 2dnx h SER 121 N 0.89 -1.47 -0.22 1.42 0.87 -1.55 -2.91 113.55 110.58 2dnx h SER 121 Ca 0.16 0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.74 2dnx h SER 121 Cb 0.57 0.51 -0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2dnx h SER 121 CO 0.03 -0.64 -0.27 0.40 -0.53 0.00 0.00 176.83 175.82 2dnx h ILE 122 N -0.94 1.32 0.00 2.23 5.03 -1.49 -3.45 117.51 120.21 2dnx h ILE 122 Ca -0.05 -1.46 0.00 0.00 -0.12 0.00 0.00 64.86 63.23 2dnx h ILE 122 Cb 0.85 1.76 0.00 0.00 -3.03 0.00 0.00 36.82 36.40 2dnx h ILE 122 CO -0.13 0.45 0.00 0.00 -0.68 0.00 0.00 178.15 177.79 2dnx n ALA 123 N -2.48 0.00 -1.61 1.87 0.00 0.35 -4.77 120.51 113.87 2dnx n ALA 123 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 2dnx n ALA 123 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 -0.30 -3.91 0.00 0.00 -1.26 -4.97 116.66 106.22 2dnx n ARG 124 Ca 0.00 0.70 -0.11 0.00 -0.00 0.00 0.00 57.85 58.44 2dnx n ARG 124 Cb 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 32.46 30.92 2dnx n ARG 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dnx s SER 125 N -0.21 0.08 -0.19 6.15 0.15 -1.26 -5.02 113.70 113.40 2dnx s SER 125 Ca 0.00 -0.18 -0.08 0.00 0.70 0.00 0.00 55.95 56.39 2dnx s SER 125 Cb -0.00 0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.44 2dnx s SER 125 CO 0.07 -0.16 0.16 0.61 1.20 0.00 0.00 173.24 175.12 2dnx n GLY 126 N 2.32 -4.78 3.81 9.45 0.00 -1.26 -4.98 105.19 109.74 2dnx n GLY 126 Ca -0.18 1.25 -0.33 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.90 3.46 -0.27 1.61 0.04 -1.26 -5.06 135.00 132.62 2dnx s PRO 127 Ca -0.19 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 2dnx s PRO 127 Cb 0.01 -2.05 0.16 0.00 0.04 0.00 0.00 34.50 32.67 2dnx s PRO 127 CO 0.69 -0.70 0.50 -1.54 0.04 0.00 0.00 177.00 175.99 2dnx s SER 128 N -2.69 -0.63 0.06 6.66 1.04 -1.26 -5.16 113.70 111.72 2dnx s SER 128 Ca 0.64 0.52 -0.00 0.00 0.48 0.00 0.00 55.95 57.59 2dnx s SER 128 Cb -0.15 1.67 -0.04 0.00 0.10 0.00 0.00 66.02 67.60 2dnx s SER 128 CO 0.34 -0.28 -0.04 -0.44 0.98 0.00 0.00 173.24 173.80 2dnx s SER 129 N 2.71 0.61 0.00 7.02 0.01 -1.26 -5.28 113.70 117.50 2dnx s SER 129 Ca 0.17 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2dnx s SER 129 Cb -0.15 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2dnx s SER 129 CO -0.19 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.53