#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnx n SER 2 N 0.00 -8.69 -2.99 1.61 7.64 -1.26 -4.86 113.62 105.06 2dnx n SER 2 Ca 0.00 1.21 -0.00 0.00 1.01 0.00 0.00 58.87 61.09 2dnx n SER 2 Cb 0.00 -4.48 -0.00 0.00 -1.01 0.00 0.00 64.21 58.72 2dnx n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dnx n SER 3 N 0.26 -6.72 0.00 6.43 7.64 -1.26 -4.99 113.62 114.98 2dnx n SER 3 Ca 0.00 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.74 2dnx n SER 3 Cb 0.00 -3.01 0.00 0.00 -1.01 0.00 0.00 64.21 60.19 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 1.28 -1.28 3.80 0.23 0.00 -1.26 -5.15 105.19 102.79 2dnx n GLY 4 Ca -0.03 0.58 -0.39 0.00 0.00 0.00 0.00 46.02 46.19 2dnx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dnx s SER 5 N 0.00 7.18 -0.47 1.61 1.04 -1.26 -5.02 113.70 116.77 2dnx s SER 5 Ca 0.00 1.40 0.06 0.00 0.48 0.00 0.00 55.95 57.89 2dnx s SER 5 Cb 0.00 -2.41 0.20 0.00 0.10 0.00 0.00 66.02 63.91 2dnx s SER 5 CO 0.00 0.25 0.63 -1.20 0.98 0.00 0.00 173.24 173.89 2dnx n SER 6 N 1.64 -2.26 0.00 7.02 7.64 -1.26 -5.07 113.62 121.33 2dnx n SER 6 Ca -0.08 -2.81 0.00 0.00 1.01 0.00 0.00 58.87 56.99 2dnx n SER 6 Cb 0.50 0.93 0.00 0.00 -1.01 0.00 0.00 64.21 64.63 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 2.59 1.02 3.54 0.23 0.00 -1.26 -5.06 105.19 106.25 2dnx n GLY 7 Ca 0.20 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 2dnx n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dnx s GLN 8 N 0.00 0.71 0.10 1.61 0.74 -1.26 -5.17 119.66 116.40 2dnx s GLN 8 Ca 0.00 -0.07 -0.04 0.00 0.05 0.00 0.00 55.36 55.29 2dnx s GLN 8 Cb 0.00 0.33 -0.05 0.00 1.10 0.00 0.00 33.01 34.39 2dnx s GLN 8 CO 0.00 -0.27 0.33 -0.51 -0.55 0.00 0.00 175.29 174.29 2dnx s LEU 9 N -1.81 4.30 -0.88 3.68 2.01 -1.26 -4.96 118.68 119.76 2dnx s LEU 9 Ca 0.02 0.53 -0.23 0.00 0.01 0.00 0.00 54.13 54.45 2dnx s LEU 9 Cb -0.01 -3.14 -0.19 0.00 0.01 0.00 0.00 46.19 42.87 2dnx s LEU 9 CO -0.03 0.11 2.17 0.54 1.01 0.00 0.00 176.35 180.15 2dnx n ARG 10 N 0.31 0.28 -2.35 1.70 5.12 -1.26 -4.87 116.66 115.58 2dnx n ARG 10 Ca -0.04 -1.11 -0.38 0.00 -1.93 0.00 0.00 57.85 54.38 2dnx n ARG 10 Cb 0.52 -3.45 -0.03 0.00 -1.16 0.00 0.00 32.46 28.34 2dnx n ARG 10 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2dnx s ASP 11 N 8.42 6.67 0.12 0.55 1.01 -1.26 -4.73 116.67 127.45 2dnx s ASP 11 Ca 0.84 2.30 -0.24 0.00 0.71 0.00 0.00 52.55 56.16 2dnx s ASP 11 Cb -0.14 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.13 2dnx s ASP 11 CO 0.16 -0.57 1.18 0.33 0.21 0.00 0.00 175.17 176.48 2dnx n PHE 12 N 0.22 -0.34 -0.25 4.23 -0.00 -1.26 0.19 117.46 120.25 2dnx n PHE 12 Ca 0.04 0.95 0.01 0.00 -0.00 0.00 0.00 57.45 58.45 2dnx n PHE 12 Cb 0.47 -0.56 0.13 0.00 -0.00 0.00 0.00 39.48 39.52 2dnx n PHE 12 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2dnx h SER 13 N 0.00 0.55 -0.15 -2.13 0.02 -1.98 0.94 113.55 110.79 2dnx h SER 13 Ca 0.12 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 2dnx h SER 13 Cb 0.31 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2dnx h SER 13 CO -0.72 0.32 0.10 0.28 -1.14 0.00 0.00 176.83 175.68 2dnx h SER 14 N 0.68 0.11 0.56 3.07 0.02 0.17 -0.51 113.55 117.64 2dnx h SER 14 Ca 0.35 -0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 61.01 2dnx h SER 14 Cb 0.31 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2dnx h SER 14 CO -0.24 0.08 -1.47 0.40 -1.14 0.00 0.00 176.83 174.46 2dnx h ILE 15 N 0.13 1.19 0.11 3.27 2.04 0.30 -3.29 117.51 121.26 2dnx h ILE 15 Ca 0.06 -2.89 -0.01 0.00 1.00 0.00 0.00 64.86 63.03 2dnx h ILE 15 Cb 0.08 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 2dnx h ILE 15 CO -0.01 0.79 -0.06 0.40 0.00 0.00 0.00 178.15 179.27 2dnx h ILE 16 N 0.04 0.00 -0.86 -0.67 1.08 0.21 0.11 117.51 117.43 2dnx h ILE 16 Ca -0.21 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.39 2dnx h ILE 16 Cb 1.97 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 35.58 2dnx h ILE 16 CO 0.14 0.00 -0.34 1.67 -0.69 0.00 0.00 178.15 178.93 2dnx n GLN 17 N -2.46 -0.20 -0.22 2.37 7.27 -0.34 0.19 117.38 123.99 2dnx n GLN 17 Ca -0.02 1.33 -0.01 0.00 0.07 0.00 0.00 57.00 58.37 2dnx n GLN 17 Cb 0.06 -1.97 0.10 0.00 2.41 0.00 0.00 30.24 30.84 2dnx n GLN 17 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 2dnx h THR 18 N 0.00 0.91 0.56 1.69 2.02 -1.60 0.44 112.91 116.93 2dnx h THR 18 Ca 0.30 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 2dnx h THR 18 Cb 0.52 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2dnx h THR 18 CO -0.86 0.11 -0.41 0.00 0.37 0.00 0.00 175.52 174.73 2dnx h SER 20 N -0.93 -0.53 0.25 0.00 4.64 -0.27 0.09 113.55 116.80 2dnx h SER 20 Ca -0.07 0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2dnx h SER 20 Cb 0.76 0.42 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 2dnx h SER 20 CO 0.03 -0.23 -0.37 1.23 -0.87 0.00 0.00 176.83 176.63 2dnx h GLY 21 N 0.05 -0.79 -0.55 -0.77 0.00 -0.43 -1.03 103.07 99.55 2dnx h GLY 21 Ca 0.41 0.43 0.07 0.00 0.00 0.00 0.00 47.33 48.24 2dnx h GLY 21 CO -0.75 -0.28 -0.51 3.43 0.00 0.00 0.00 176.54 178.43 2dnx h ASN 22 N -0.68 -1.76 -0.21 0.19 2.35 0.11 0.12 115.58 115.70 2dnx h ASN 22 Ca -0.00 0.26 0.03 0.00 -0.55 0.00 0.00 56.30 56.04 2dnx h ASN 22 Cb 0.65 0.76 -0.05 0.00 0.05 0.00 0.00 38.32 39.74 2dnx h ASN 22 CO -0.14 -0.35 -0.36 0.40 -1.65 0.00 0.00 177.43 175.33 2dnx h ILE 23 N -0.26 0.00 -0.58 2.81 2.04 -0.95 0.21 117.51 120.78 2dnx h ILE 23 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.05 2dnx h ILE 23 Cb 0.56 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 2dnx h ILE 23 CO -0.70 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 177.11 2dnx n GLN 24 N -4.44 -0.25 -0.01 2.37 6.02 -0.42 0.10 117.38 120.75 2dnx n GLN 24 Ca -0.03 1.24 -0.07 0.00 -0.01 0.00 0.00 57.00 58.12 2dnx n GLN 24 Cb 0.23 -1.83 -0.05 0.00 1.02 0.00 0.00 30.24 29.61 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 -0.26 -0.94 -1.09 -0.00 -0.37 1.39 114.38 113.12 2dnx h ARG 25 Ca 0.09 0.02 0.09 0.00 -0.50 0.00 0.00 59.98 59.68 2dnx h ARG 25 Cb 0.24 0.06 -0.12 0.00 0.00 0.00 0.00 29.97 30.15 2dnx h ARG 25 CO -0.54 -0.18 -0.53 -0.89 0.00 0.00 0.00 179.97 177.83 2dnx n ILE 26 N -3.98 -0.62 -0.11 2.04 5.41 0.66 0.23 119.36 123.00 2dnx n ILE 26 Ca -0.03 2.26 -0.06 0.00 1.00 0.00 0.00 62.75 65.92 2dnx n ILE 26 Cb 0.18 -2.81 0.02 0.00 -0.71 0.00 0.00 39.64 36.32 2dnx n ILE 26 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2dnx h SER 27 N 0.00 0.17 0.45 4.38 0.87 0.39 0.26 113.55 120.07 2dnx h SER 27 Ca 0.17 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2dnx h SER 27 Cb 0.40 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2dnx h SER 27 CO -0.88 0.14 -0.26 1.56 -0.53 0.00 0.00 176.83 176.85 2dnx h GLN 28 N 0.31 -0.64 -0.93 2.24 7.50 0.81 -0.64 115.11 123.76 2dnx h GLN 28 Ca 0.17 0.04 0.25 0.00 0.50 0.00 0.00 58.65 59.61 2dnx h GLN 28 Cb 0.13 0.15 -0.13 0.00 0.05 0.00 0.00 27.48 27.67 2dnx h GLN 28 CO -0.16 -0.43 0.41 0.00 -1.50 0.00 0.00 178.83 177.16 2dnx h ALA 29 N -1.55 1.54 -0.05 3.87 0.00 0.30 1.71 119.26 125.09 2dnx h ALA 29 Ca -0.06 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2dnx h ALA 29 Cb 0.53 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dnx h ALA 29 CO 0.07 -0.41 0.04 1.15 0.00 0.00 0.00 179.25 180.09 2dnx h THR 30 N 0.36 1.01 0.03 0.00 2.02 -0.11 -0.68 112.91 115.54 2dnx h THR 30 Ca 0.60 -0.02 -0.25 0.00 0.77 0.00 0.00 66.41 67.51 2dnx h THR 30 Cb 1.22 0.94 0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2dnx h THR 30 CO -0.57 0.01 -1.04 0.00 0.37 0.00 0.00 175.52 174.29 2dnx h ALA 31 N 1.97 0.23 -0.77 6.16 0.00 0.40 -3.03 119.26 124.23 2dnx h ALA 31 Ca 0.02 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 2dnx h ALA 31 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2dnx h ALA 31 CO -0.00 0.78 0.46 1.96 0.00 0.00 0.00 179.25 182.45 2dnx h GLN 32 N 0.26 1.04 -0.58 0.00 4.20 0.43 0.84 115.11 121.29 2dnx h GLN 32 Ca -0.11 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.51 2dnx h GLN 32 Cb 1.69 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 29.23 2dnx h GLN 32 CO 0.19 0.74 0.39 0.82 -0.67 0.00 0.00 178.83 180.30 2dnx h ILE 33 N 1.05 1.14 -0.25 2.54 2.04 -1.28 1.59 117.51 124.34 2dnx h ILE 33 Ca 0.27 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 2dnx h ILE 33 Cb -0.03 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2dnx h ILE 33 CO -0.05 0.14 -0.29 0.11 0.00 0.00 0.00 178.15 178.07 2dnx h LYS 34 N 0.79 0.64 -0.31 2.37 1.57 -1.28 0.90 116.57 121.24 2dnx h LYS 34 Ca 0.22 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2dnx h LYS 34 Cb -0.08 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2dnx h LYS 34 CO -0.05 0.96 0.12 -0.91 -0.57 0.00 0.00 179.45 179.00 2dnx h ASN 35 N 0.36 0.44 -0.35 0.86 2.35 0.12 -2.77 115.58 116.59 2dnx h ASN 35 Ca 0.04 -0.17 -0.16 0.00 -0.55 0.00 0.00 56.30 55.46 2dnx h ASN 35 Cb 0.86 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 2dnx h ASN 35 CO 0.07 0.49 -0.38 -0.07 -1.65 0.00 0.00 177.43 175.89 2dnx h LEU 36 N 0.36 0.96 -0.85 1.61 3.38 0.23 -3.21 115.31 117.80 2dnx h LEU 36 Ca 0.10 -0.43 0.14 0.00 0.09 0.00 0.00 57.88 57.78 2dnx h LEU 36 Cb 0.19 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 40.53 2dnx h LEU 36 CO -0.01 1.22 -0.32 0.80 0.09 0.00 0.00 178.44 180.23 2dnx n MET 37 N -4.06 -0.18 -0.15 1.13 1.56 0.31 0.07 117.12 115.80 2dnx n MET 37 Ca -0.02 1.31 -0.13 0.00 -0.27 0.00 0.00 57.70 58.59 2dnx n MET 37 Cb 0.54 -1.94 -0.09 0.00 2.15 0.00 0.00 33.22 33.88 2dnx n MET 37 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2dnx h SER 38 N 0.00 -1.76 0.00 6.12 0.87 -1.54 -0.35 113.55 116.89 2dnx h SER 38 Ca 0.31 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 2dnx h SER 38 Cb 0.52 0.73 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2dnx h SER 38 CO -0.84 -0.36 0.00 0.00 -0.53 0.00 0.00 176.83 175.10 2dnx n GLN 39 N -5.17 0.00 -0.33 2.24 3.00 0.11 0.49 117.38 117.72 2dnx n GLN 39 Ca -0.03 0.96 0.12 0.00 -0.01 0.00 0.00 57.00 58.04 2dnx n GLN 39 Cb 0.31 -1.44 0.25 0.00 0.00 0.00 0.00 30.24 29.36 2dnx n GLN 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2dnx h LEU 40 N 0.00 -0.53 -0.67 1.08 -0.00 -1.18 1.03 115.31 115.04 2dnx h LEU 40 Ca 0.00 0.27 0.14 0.00 -0.00 0.00 0.00 57.88 58.29 2dnx h LEU 40 Cb 0.00 0.49 -0.10 0.00 -0.00 0.00 0.00 40.66 41.05 2dnx h LEU 40 CO 0.00 -0.33 0.11 1.23 -0.00 0.00 0.00 178.44 179.45 2dnx h GLY 41 N 0.02 0.85 -7.63 0.83 0.00 0.18 -3.11 103.07 94.20 2dnx h GLY 41 Ca 0.56 0.01 -0.78 0.00 0.00 0.00 0.00 47.33 47.12 2dnx h GLY 41 CO -0.91 -0.19 0.64 -0.51 0.00 0.00 0.00 176.54 175.58 2dnx s THR 42 N -6.09 5.64 0.30 4.70 -4.23 0.36 -4.91 115.64 111.41 2dnx s THR 42 Ca -0.13 -2.99 0.00 0.00 -1.18 0.00 0.00 61.69 57.39 2dnx s THR 42 Cb 0.20 -4.67 0.00 0.00 1.34 0.00 0.00 72.50 69.37 2dnx s THR 42 CO 0.75 -1.29 0.00 1.17 -0.54 0.00 0.00 174.62 174.71 2dnx n LYS 43 N 3.82 -2.19 -4.61 3.99 0.00 -1.18 -4.87 118.16 113.14 2dnx n LYS 43 Ca 0.25 1.69 -0.23 0.00 0.00 0.00 0.00 58.31 60.02 2dnx n LYS 43 Cb 0.42 -2.07 -0.15 0.00 0.00 0.00 0.00 35.03 33.22 2dnx n LYS 43 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2dnx s GLN 44 N -4.74 1.26 0.00 1.64 -2.07 -1.26 -3.98 119.66 110.51 2dnx s GLN 44 Ca 0.00 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.08 2dnx s GLN 44 Cb 0.00 -1.16 0.00 0.00 -1.09 0.00 0.00 33.01 30.76 2dnx s GLN 44 CO 0.00 0.21 0.00 -3.47 -1.32 0.00 0.00 175.29 170.71 2dnx n ASP 45 N 3.06 0.00 0.00 12.60 2.03 -1.26 -5.14 116.55 127.84 2dnx n ASP 45 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2dnx n ASP 45 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2dnx n ASP 45 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2dnx n SER 46 N 0.00 0.00 0.19 1.67 2.88 -1.26 -5.06 113.62 112.04 2dnx n SER 46 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2dnx n SER 46 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2dnx n SER 46 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dnx h SER 47 N 0.00 -0.45 0.01 -3.46 0.87 -2.01 -2.20 113.55 106.30 2dnx h SER 47 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2dnx h SER 47 Cb 0.00 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2dnx h SER 47 CO 0.00 -0.02 -0.13 0.50 -0.53 0.00 0.00 176.83 176.65 2dnx h LYS 48 N -1.04 -0.17 -0.27 2.24 3.11 -1.98 0.48 116.57 118.95 2dnx h LYS 48 Ca -0.05 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.82 2dnx h LYS 48 Cb 0.51 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.75 2dnx h LYS 48 CO 0.09 -0.11 -0.16 -0.11 -2.81 0.00 0.00 179.45 176.35 2dnx n LEU 49 N -3.21 -0.29 -0.30 5.20 7.94 -1.26 0.24 117.00 125.32 2dnx n LEU 49 Ca -0.02 1.18 0.02 0.00 -1.11 0.00 0.00 56.01 56.08 2dnx n LEU 49 Cb 0.10 -0.41 0.10 0.00 0.53 0.00 0.00 43.42 43.74 2dnx n LEU 49 CO 0.03 -0.74 0.68 1.56 -1.11 0.00 0.00 177.39 177.82 2dnx h GLN 50 N 0.00 -0.01 -0.90 1.96 4.20 -1.17 1.54 115.11 120.73 2dnx h GLN 50 Ca 0.04 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.97 2dnx h GLN 50 Cb 0.11 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.83 2dnx h GLN 50 CO -0.25 -0.01 0.61 1.05 -0.67 0.00 0.00 178.83 179.56 2dnx h GLU 51 N -0.01 0.29 0.63 1.46 -0.00 0.44 -0.95 114.58 116.44 2dnx h GLU 51 Ca 0.39 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.36 59.70 2dnx h GLU 51 Cb 0.61 -0.07 0.01 0.00 -0.00 0.00 0.00 28.75 29.30 2dnx h GLU 51 CO -0.86 0.19 -0.30 -0.97 -0.00 0.00 0.00 179.01 177.07 2dnx h ASN 52 N 0.30 -0.72 -0.33 3.06 -0.73 0.45 -2.27 115.58 115.35 2dnx h ASN 52 Ca 0.46 -0.02 0.03 0.00 1.87 0.00 0.00 56.30 58.64 2dnx h ASN 52 Cb 1.31 0.19 -0.04 0.00 0.27 0.00 0.00 38.32 40.05 2dnx h ASN 52 CO -0.14 -0.38 -0.19 0.18 -0.37 0.00 0.00 177.43 176.52 2dnx n LEU 53 N -5.38 -0.35 -0.12 0.34 4.77 -0.39 0.22 117.00 116.09 2dnx n LEU 53 Ca -0.12 1.23 -0.05 0.00 -0.03 0.00 0.00 56.01 57.03 2dnx n LEU 53 Cb 0.36 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2dnx n LEU 53 CO 0.32 -0.80 0.49 1.56 -1.33 0.00 0.00 177.39 177.64 2dnx h GLN 54 N 0.00 -0.07 -0.48 3.23 4.20 -1.52 0.03 115.11 120.50 2dnx h GLN 54 Ca 0.05 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.86 2dnx h GLN 54 Cb 0.13 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.83 2dnx h GLN 54 CO -0.31 -0.05 -0.21 1.96 -0.67 0.00 0.00 178.83 179.56 2dnx h GLN 55 N -0.07 -0.10 -1.38 1.46 1.08 -0.60 0.74 115.11 116.23 2dnx h GLN 55 Ca 0.05 0.01 0.40 0.00 -1.45 0.00 0.00 58.65 57.66 2dnx h GLN 55 Cb 0.21 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.60 2dnx h GLN 55 CO -0.33 -0.07 1.04 -0.07 -0.95 0.00 0.00 178.83 178.46 2dnx h LEU 56 N -0.11 0.00 0.00 1.46 3.38 0.45 1.99 115.31 122.48 2dnx h LEU 56 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2dnx h LEU 56 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2dnx h LEU 56 CO -0.55 0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.98 2dnx n GLN 57 N -3.99 0.00 0.33 1.13 6.02 0.25 -3.40 117.38 117.72 2dnx n GLN 57 Ca 0.30 0.33 -0.18 0.00 -0.01 0.00 0.00 57.00 57.45 2dnx n GLN 57 Cb 1.48 -0.86 -0.09 0.00 1.02 0.00 0.00 30.24 31.80 2dnx n GLN 57 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 2dnx h HIS 58 N 0.00 -1.12 -0.76 1.08 2.07 -0.67 -0.67 115.15 115.09 2dnx h HIS 58 Ca 0.00 -0.00 0.19 0.00 -2.85 0.00 0.00 60.37 57.71 2dnx h HIS 58 Cb 0.00 0.41 -0.14 0.00 2.57 0.00 0.00 27.41 30.25 2dnx h HIS 58 CO 0.01 -0.61 -0.04 0.45 -3.07 0.00 0.00 177.93 174.67 2dnx n SER 59 N -5.54 -0.14 0.01 3.10 2.88 0.67 0.16 113.62 114.76 2dnx n SER 59 Ca -0.12 1.30 -0.13 0.00 -1.33 0.00 0.00 58.87 58.59 2dnx n SER 59 Cb 0.43 -0.45 -0.09 0.00 -0.75 0.00 0.00 64.21 63.34 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 1.24 -0.94 2.46 2.02 -1.44 -2.75 112.91 113.51 2dnx h THR 60 Ca 0.44 -0.86 0.15 0.00 0.77 0.00 0.00 66.41 66.90 2dnx h THR 60 Cb 0.84 1.81 -0.16 0.00 -1.74 0.00 0.00 68.15 68.91 2dnx h THR 60 CO -0.74 0.22 -0.37 0.78 0.37 0.00 0.00 175.52 175.78 2dnx h ASN 61 N -0.42 -1.34 0.39 4.18 4.21 0.31 0.13 115.58 123.04 2dnx h ASN 61 Ca -0.00 0.30 -0.01 0.00 1.21 0.00 0.00 56.30 57.79 2dnx h ASN 61 Cb 0.39 0.72 -0.02 0.00 -1.12 0.00 0.00 38.32 38.29 2dnx h ASN 61 CO 0.01 -0.29 -0.41 1.56 -1.29 0.00 0.00 177.43 177.01 2dnx h GLN 62 N -0.02 -0.77 -0.95 0.81 1.08 -1.10 -0.91 115.11 113.25 2dnx h GLN 62 Ca 0.34 0.05 0.23 0.00 -1.45 0.00 0.00 58.65 57.82 2dnx h GLN 62 Cb 0.60 0.18 -0.18 0.00 -0.05 0.00 0.00 27.48 28.03 2dnx h GLN 62 CO -0.95 -0.52 -0.10 1.28 -0.95 0.00 0.00 178.83 177.59 2dnx n LEU 63 N -4.87 -0.22 0.00 1.46 4.77 -0.01 0.18 117.00 118.31 2dnx n LEU 63 Ca -0.10 1.63 -0.10 0.00 -0.03 0.00 0.00 56.01 57.41 2dnx n LEU 63 Cb 0.37 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 2dnx n LEU 63 CO 0.21 -1.61 0.81 0.00 -1.33 0.00 0.00 177.39 175.47 2dnx h ALA 64 N 1.90 0.01 -0.89 -1.18 0.00 -0.16 -0.08 119.26 118.86 2dnx h ALA 64 Ca 0.52 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.70 2dnx h ALA 64 Cb 0.96 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 2dnx h ALA 64 CO -0.94 -0.54 0.37 0.87 0.00 0.00 0.00 179.25 179.02 2dnx h LYS 65 N -0.09 0.35 -0.55 0.00 1.57 0.32 0.55 116.57 118.72 2dnx h LYS 65 Ca 0.07 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2dnx h LYS 65 Cb 0.19 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2dnx h LYS 65 CO -0.16 0.23 0.04 0.93 -0.57 0.00 0.00 179.45 179.91 2dnx h GLU 66 N 0.36 0.95 0.17 3.15 5.08 0.14 -2.32 114.58 122.11 2dnx h GLU 66 Ca 0.56 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2dnx h GLU 66 Cb 1.08 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 2dnx h GLU 66 CO -0.55 0.94 -0.42 1.15 -1.00 0.00 0.00 179.01 179.13 2dnx h THR 67 N 0.84 0.15 0.11 1.13 2.02 0.18 0.72 112.91 118.06 2dnx h THR 67 Ca 0.16 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.36 2dnx h THR 67 Cb 0.49 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 2dnx h THR 67 CO 0.02 0.00 -0.46 -1.13 0.37 0.00 0.00 175.52 174.33 2dnx h ASN 68 N -0.69 -1.36 -0.80 4.18 -1.24 -1.18 0.82 115.58 115.32 2dnx h ASN 68 Ca 0.01 0.15 0.17 0.00 0.71 0.00 0.00 56.30 57.34 2dnx h ASN 68 Cb 0.69 0.51 -0.11 0.00 0.73 0.00 0.00 38.32 40.15 2dnx h ASN 68 CO -0.22 -0.51 0.32 -0.33 -1.29 0.00 0.00 177.43 175.40 2dnx h GLU 69 N -0.68 0.41 0.17 6.67 4.39 -1.09 0.25 114.58 124.70 2dnx h GLU 69 Ca 0.02 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2dnx h GLU 69 Cb 0.71 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2dnx h GLU 69 CO -0.27 0.27 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.71 2dnx h LEU 70 N 0.43 -0.19 -1.41 1.33 3.38 0.18 -2.14 115.31 116.88 2dnx h LEU 70 Ca 0.46 -0.11 0.19 0.00 0.09 0.00 0.00 57.88 58.51 2dnx h LEU 70 Cb 0.76 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 2dnx h LEU 70 CO -0.45 -0.01 0.59 -0.07 0.09 0.00 0.00 178.44 178.59 2dnx h LEU 71 N -0.37 0.50 -0.21 1.67 3.38 0.23 0.20 115.31 120.71 2dnx h LEU 71 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dnx h LEU 71 Cb 0.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2dnx h LEU 71 CO 0.04 0.21 0.13 0.11 0.09 0.00 0.00 178.44 179.02 2dnx h LYS 72 N 0.50 0.28 0.38 1.13 1.57 0.02 -2.03 116.57 118.41 2dnx h LYS 72 Ca 0.47 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 2dnx h LYS 72 Cb 1.04 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2dnx h LYS 72 CO -0.20 0.20 -0.18 0.93 -0.57 0.00 0.00 179.45 179.63 2dnx h GLU 73 N 0.26 -0.49 -0.82 3.15 5.08 -0.10 0.36 114.58 122.03 2dnx h GLU 73 Ca 0.07 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 2dnx h GLU 73 Cb -0.01 0.11 -0.14 0.00 0.50 0.00 0.00 28.75 29.21 2dnx h GLU 73 CO -0.02 -0.32 -0.37 -0.07 -1.00 0.00 0.00 179.01 177.23 2dnx h LEU 74 N -0.51 -1.34 -1.27 1.33 3.38 -0.93 1.55 115.31 117.52 2dnx h LEU 74 Ca -0.05 0.28 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2dnx h LEU 74 Cb 0.39 0.69 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2dnx h LEU 74 CO 0.08 -0.30 -0.28 1.23 0.09 0.00 0.00 178.44 179.26 2dnx h GLY 75 N -0.07 0.00 1.26 0.83 0.00 -1.13 -2.77 103.07 101.18 2dnx h GLY 75 Ca 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.51 2dnx h GLY 75 CO -0.86 0.00 -0.19 0.23 0.00 0.00 0.00 176.54 175.72 2dnx h SER 76 N 0.00 0.87 -3.30 0.19 0.87 0.61 -3.44 113.55 109.35 2dnx h SER 76 Ca -0.00 -0.31 -0.56 0.00 -1.23 0.00 0.00 61.79 59.69 2dnx h SER 76 Cb 0.69 -0.24 0.19 0.00 -0.44 0.00 0.00 62.40 62.60 2dnx h SER 76 CO 0.04 1.04 -0.34 0.18 -0.53 0.00 0.00 176.83 177.22 2dnx n LEU 77 N -4.12 1.14 0.00 2.23 4.77 0.17 -4.99 117.00 116.20 2dnx n LEU 77 Ca 0.00 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2dnx n LEU 77 Cb 0.43 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 2dnx n LEU 77 CO 0.45 -2.99 0.00 -0.81 -1.33 0.00 0.00 177.39 172.71 2dnx n PRO 78 N -0.94 0.62 -4.52 3.23 -0.04 -1.26 -5.02 135.00 127.07 2dnx n PRO 78 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 2dnx n PRO 78 Cb 0.50 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.82 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 2.12 0.67 1.53 1.43 -1.26 -5.08 118.68 118.08 2dnx s LEU 79 Ca 0.00 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 2dnx s LEU 79 Cb 0.00 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.50 2dnx s LEU 79 CO 0.00 0.11 1.06 -2.16 0.23 0.00 0.00 176.35 175.58 2dnx s PRO 80 N -0.84 3.06 0.45 1.29 0.04 -1.26 -4.94 135.00 132.80 2dnx s PRO 80 Ca 0.04 1.01 0.15 0.00 0.04 0.00 0.00 61.00 62.24 2dnx s PRO 80 Cb -0.07 -2.00 1.02 0.00 0.04 0.00 0.00 34.50 33.49 2dnx s PRO 80 CO 0.01 -1.00 2.00 -0.07 0.04 0.00 0.00 177.00 177.97 2dnx h LEU 81 N -0.41 0.00 -9.51 -3.56 -0.00 -2.02 -3.42 115.31 96.40 2dnx h LEU 81 Ca -0.45 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 56.87 2dnx h LEU 81 Cb 1.21 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.82 2dnx h LEU 81 CO 0.57 0.18 0.04 -0.44 -0.00 0.00 0.00 178.44 178.79 2dnx s SER 82 N -6.97 7.04 0.07 -0.43 0.01 -1.26 -4.97 113.70 107.19 2dnx s SER 82 Ca -0.04 1.24 -0.17 0.00 1.31 0.00 0.00 55.95 58.29 2dnx s SER 82 Cb 0.16 -2.40 -0.12 0.00 0.21 0.00 0.00 66.02 63.87 2dnx s SER 82 CO 0.69 0.05 1.36 0.74 0.41 0.00 0.00 173.24 176.50 2dnx h THR 83 N 4.20 1.33 -1.17 1.44 2.02 -1.99 -2.81 112.91 115.92 2dnx h THR 83 Ca -0.44 -1.50 0.44 0.00 0.77 0.00 0.00 66.41 65.68 2dnx h THR 83 Cb 1.20 1.78 -0.16 0.00 -1.74 0.00 0.00 68.15 69.23 2dnx h THR 83 CO 0.71 0.46 0.70 0.28 0.37 0.00 0.00 175.52 178.04 2dnx h SER 84 N 0.27 0.28 0.15 4.18 0.02 -1.96 1.16 113.55 117.66 2dnx h SER 84 Ca 0.02 0.21 -0.22 0.00 -0.84 0.00 0.00 61.79 60.96 2dnx h SER 84 Cb 0.87 0.21 0.02 0.00 0.14 0.00 0.00 62.40 63.65 2dnx h SER 84 CO 0.07 -0.34 -0.94 -0.33 -1.14 0.00 0.00 176.83 174.15 2dnx h GLU 85 N 0.03 0.37 -1.01 3.45 4.39 -1.92 -3.02 114.58 116.86 2dnx h GLU 85 Ca 0.86 -0.60 0.24 0.00 0.34 0.00 0.00 59.36 60.20 2dnx h GLU 85 Cb 2.47 0.22 -0.12 0.00 -0.10 0.00 0.00 28.75 31.22 2dnx h GLU 85 CO -0.62 1.28 0.61 1.96 -1.16 0.00 0.00 179.01 181.08 2dnx h GLN 86 N -0.23 0.55 0.30 2.33 4.20 0.15 0.16 115.11 122.59 2dnx h GLN 86 Ca -0.16 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 2dnx h GLN 86 Cb 1.73 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.39 2dnx h GLN 86 CO 0.18 0.37 -0.15 0.00 -0.67 0.00 0.00 178.83 178.56 2dnx h ARG 87 N 0.57 -0.39 -1.44 1.46 2.47 -1.04 -2.51 114.38 113.49 2dnx h ARG 87 Ca 0.63 0.03 0.44 0.00 -1.26 0.00 0.00 59.98 59.83 2dnx h ARG 87 Cb 1.24 0.09 -0.10 0.00 -1.65 0.00 0.00 29.97 29.55 2dnx h ARG 87 CO -0.45 -0.26 0.97 1.96 0.56 0.00 0.00 179.97 182.76 2dnx h GLN 88 N -0.71 0.07 0.05 0.04 4.20 -1.28 1.30 115.11 118.79 2dnx h GLN 88 Ca -0.04 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2dnx h GLN 88 Cb 0.31 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2dnx h GLN 88 CO 0.07 0.05 -0.02 1.96 -0.67 0.00 0.00 178.83 180.21 2dnx h GLN 89 N 0.08 -0.06 -0.67 1.46 4.20 -0.66 -1.40 115.11 118.05 2dnx h GLN 89 Ca 0.80 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.60 2dnx h GLN 89 Cb 2.75 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 30.50 2dnx h GLN 89 CO -0.26 -0.04 0.45 0.07 -0.67 0.00 0.00 178.83 178.37 2dnx h ARG 90 N -0.08 0.57 0.18 1.46 0.11 -0.68 -1.73 114.38 114.21 2dnx h ARG 90 Ca -0.01 -0.03 0.01 0.00 0.10 0.00 0.00 59.98 60.05 2dnx h ARG 90 Cb 0.05 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 30.97 2dnx h ARG 90 CO 0.01 0.37 -0.28 -0.07 0.10 0.00 0.00 179.97 180.11 2dnx h LEU 91 N 0.58 -0.77 -0.32 0.08 3.38 0.16 1.45 115.31 119.87 2dnx h LEU 91 Ca 0.30 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.41 2dnx h LEU 91 Cb 0.42 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2dnx h LEU 91 CO -0.10 -0.38 0.04 1.56 0.09 0.00 0.00 178.44 179.65 2dnx h GLN 92 N -0.53 0.14 0.85 1.13 1.08 -0.41 -1.29 115.11 116.08 2dnx h GLN 92 Ca 0.01 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2dnx h GLN 92 Cb 0.53 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.93 2dnx h GLN 92 CO -0.12 0.09 -0.41 -0.22 -0.95 0.00 0.00 178.83 177.23 2dnx h LYS 93 N 0.15 -1.10 -0.93 1.46 3.64 -0.86 0.27 116.57 119.19 2dnx h LYS 93 Ca 0.15 0.08 0.17 0.00 -1.27 0.00 0.00 60.65 59.78 2dnx h LYS 93 Cb 0.18 0.25 -0.16 0.00 -0.41 0.00 0.00 32.23 32.09 2dnx h LYS 93 CO -0.22 -0.73 -0.29 0.39 -2.27 0.00 0.00 179.45 176.32 2dnx n GLU 94 N -5.57 -0.15 0.36 1.90 -0.58 0.49 0.15 120.64 117.25 2dnx n GLU 94 Ca -0.15 1.45 -0.14 0.00 -0.42 0.00 0.00 57.16 57.89 2dnx n GLU 94 Cb 0.46 -2.16 -0.07 0.00 -0.57 0.00 0.00 31.44 29.10 2dnx n GLU 94 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dnx h ARG 95 N 0.00 -0.91 -1.00 3.49 2.47 -1.04 -1.85 114.38 115.53 2dnx h ARG 95 Ca 0.39 0.06 0.34 0.00 -1.26 0.00 0.00 59.98 59.51 2dnx h ARG 95 Cb 0.62 0.21 -0.16 0.00 -1.65 0.00 0.00 29.97 29.00 2dnx h ARG 95 CO -0.95 -0.61 0.56 -0.07 0.56 0.00 0.00 179.97 179.47 2dnx h LEU 96 N -1.23 0.47 -0.29 3.04 3.38 0.15 1.71 115.31 122.54 2dnx h LEU 96 Ca -0.10 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2dnx h LEU 96 Cb 0.72 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2dnx h LEU 96 CO 0.16 -0.20 0.11 0.24 0.09 0.00 0.00 178.44 178.84 2dnx h MET 97 N 0.26 0.43 -0.01 1.13 2.86 0.15 0.61 114.93 120.36 2dnx h MET 97 Ca 0.76 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 58.18 2dnx h MET 97 Cb 1.78 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.36 2dnx h MET 97 CO -0.64 0.46 -0.62 -0.91 1.06 0.00 0.00 176.91 176.26 2dnx h ASN 98 N 0.31 0.04 0.41 1.22 2.35 0.15 -2.41 115.58 117.66 2dnx h ASN 98 Ca 0.09 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2dnx h ASN 98 Cb 0.20 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2dnx h ASN 98 CO -0.01 0.65 -0.20 0.44 -1.65 0.00 0.00 177.43 176.67 2dnx h ASP 99 N 0.03 -0.47 -0.94 5.81 3.32 0.25 -2.25 116.42 122.16 2dnx h ASP 99 Ca -0.01 -0.09 0.22 0.00 0.02 0.00 0.00 57.03 57.17 2dnx h ASP 99 Cb 1.11 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.71 2dnx h ASP 99 CO 0.08 -0.04 0.62 0.15 -1.72 0.00 0.00 179.24 178.33 2dnx h PHE 100 N -1.04 0.57 0.53 4.55 3.57 0.19 -0.94 116.94 124.37 2dnx h PHE 100 Ca -0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 2dnx h PHE 100 Cb 0.53 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.10 2dnx h PHE 100 CO 0.02 0.13 -0.25 0.66 -2.23 0.00 0.00 178.31 176.64 2dnx h SER 101 N 0.41 -0.60 -0.91 0.41 4.64 -1.38 0.61 113.55 116.74 2dnx h SER 101 Ca 0.50 -0.05 0.20 0.00 -0.47 0.00 0.00 61.79 61.97 2dnx h SER 101 Cb 1.25 0.16 -0.11 0.00 -0.31 0.00 0.00 62.40 63.38 2dnx h SER 101 CO -0.20 -0.31 0.45 0.00 -0.87 0.00 0.00 176.83 175.90 2dnx h ALA 102 N -0.53 1.46 -0.06 5.18 0.00 -0.60 0.95 119.26 125.67 2dnx h ALA 102 Ca -0.07 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2dnx h ALA 102 Cb 0.61 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2dnx h ALA 102 CO 0.12 -0.23 -0.60 0.00 0.00 0.00 0.00 179.25 178.54 2dnx h ALA 103 N 1.66 0.89 0.68 0.00 0.00 -1.00 -2.84 119.26 118.64 2dnx h ALA 103 Ca 0.54 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dnx h ALA 103 Cb 0.94 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2dnx h ALA 103 CO -0.46 0.73 -0.33 1.25 0.00 0.00 0.00 179.25 180.45 2dnx h LEU 104 N 0.14 -0.77 -0.91 0.00 5.85 0.64 -2.88 115.31 117.38 2dnx h LEU 104 Ca -0.01 0.03 0.24 0.00 0.84 0.00 0.00 57.88 58.98 2dnx h LEU 104 Cb 1.09 0.20 -0.16 0.00 0.37 0.00 0.00 40.66 42.16 2dnx h LEU 104 CO 0.09 -0.41 0.08 -1.13 -0.34 0.00 0.00 178.44 176.73 2dnx h ASN 105 N -1.20 -0.31 -0.15 1.25 -1.24 0.01 0.10 115.58 114.04 2dnx h ASN 105 Ca -0.09 0.24 0.02 0.00 0.71 0.00 0.00 56.30 57.18 2dnx h ASN 105 Cb 0.70 0.40 -0.04 0.00 0.73 0.00 0.00 38.32 40.10 2dnx h ASN 105 CO 0.15 -0.27 -0.32 -1.13 -1.29 0.00 0.00 177.43 174.58 2dnx h ASN 106 N 0.08 -1.03 -0.80 1.15 -0.73 -1.41 0.16 115.58 113.00 2dnx h ASN 106 Ca 0.55 0.13 0.16 0.00 1.87 0.00 0.00 56.30 59.01 2dnx h ASN 106 Cb 1.11 0.41 -0.15 0.00 0.27 0.00 0.00 38.32 39.96 2dnx h ASN 106 CO -0.80 -0.26 -0.18 0.15 -0.37 0.00 0.00 177.43 175.97 2dnx h PHE 107 N -0.29 -0.39 0.32 0.67 3.57 -0.61 0.15 116.94 120.37 2dnx h PHE 107 Ca 0.03 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2dnx h PHE 107 Cb 0.37 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 2dnx h PHE 107 CO -0.59 -0.34 -0.50 1.96 -2.23 0.00 0.00 178.31 176.61 2dnx h GLN 108 N 0.01 -0.84 -0.06 1.11 4.20 -0.39 1.57 115.11 120.70 2dnx h GLN 108 Ca 0.39 0.06 0.02 0.00 0.06 0.00 0.00 58.65 59.17 2dnx h GLN 108 Cb 0.60 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 2dnx h GLN 108 CO -0.81 -0.56 0.32 0.00 -0.67 0.00 0.00 178.83 177.11 2dnx h ALA 109 N -0.77 1.44 0.00 3.87 0.00 0.77 1.21 119.26 125.77 2dnx h ALA 109 Ca -0.04 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 2dnx h ALA 109 Cb 0.80 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2dnx h ALA 109 CO -0.16 -0.35 -1.53 0.28 0.00 0.00 0.00 179.25 177.48 2dnx h VAL 110 N 0.00 0.67 -0.02 0.00 2.07 0.22 -3.07 116.25 116.12 2dnx h VAL 110 Ca 0.03 -2.33 -0.19 0.00 0.82 0.00 0.00 66.70 65.03 2dnx h VAL 110 Cb 0.67 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2dnx h VAL 110 CO -0.00 0.38 -0.83 0.06 0.02 0.00 0.00 177.57 177.20 2dnx h GLN 111 N 0.00 0.28 0.01 1.57 3.07 1.11 -0.69 115.11 120.45 2dnx h GLN 111 Ca -0.22 -0.27 -0.19 0.00 0.09 0.00 0.00 58.65 58.06 2dnx h GLN 111 Cb 1.78 0.07 -0.02 0.00 0.08 0.00 0.00 27.48 29.39 2dnx h GLN 111 CO 0.06 0.96 -0.89 0.07 0.09 0.00 0.00 178.83 179.12 2dnx h ARG 112 N 0.17 0.10 0.04 0.06 -0.00 -0.83 -2.32 114.38 111.59 2dnx h ARG 112 Ca -0.04 -0.12 -0.23 0.00 -0.00 0.00 0.00 59.98 59.59 2dnx h ARG 112 Cb 1.43 0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 31.43 2dnx h ARG 112 CO 0.13 0.92 -1.01 0.00 -0.00 0.00 0.00 179.97 180.01 2dnx h ARG 113 N 0.05 0.27 0.55 0.08 3.08 -1.49 -2.88 114.38 114.04 2dnx h ARG 113 Ca -0.03 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.65 2dnx h ARG 113 Cb 1.54 0.11 0.01 0.00 0.08 0.00 0.00 29.97 31.70 2dnx h ARG 113 CO 0.13 1.08 -0.27 0.28 -1.07 0.00 0.00 179.97 180.12 2dnx h VAL 114 N 0.13 0.00 -0.71 2.04 2.07 -1.12 0.10 116.25 118.76 2dnx h VAL 114 Ca -0.08 -0.33 0.21 0.00 0.82 0.00 0.00 66.70 67.31 2dnx h VAL 114 Cb 1.68 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2dnx h VAL 114 CO 0.16 0.00 0.66 0.77 0.02 0.00 0.00 177.57 179.19 2dnx h SER 115 N -1.08 0.00 0.54 0.57 4.64 -1.54 0.91 113.55 117.60 2dnx h SER 115 Ca -0.08 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.95 2dnx h SER 115 Cb 0.57 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.67 2dnx h SER 115 CO 0.12 0.00 -1.32 -0.08 -0.87 0.00 0.00 176.83 174.68 2dnx h GLU 116 N 0.00 0.32 -0.24 4.77 4.81 -1.30 -2.21 114.58 120.73 2dnx h GLU 116 Ca 0.34 -0.55 -0.08 0.00 -0.13 0.00 0.00 59.36 58.93 2dnx h GLU 116 Cb 1.66 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 31.23 2dnx h GLU 116 CO -0.00 1.26 -0.21 0.87 -0.73 0.00 0.00 179.01 180.19 2dnx h LYS 117 N 0.09 0.44 0.00 1.92 1.79 0.34 -1.61 116.57 119.54 2dnx h LYS 117 Ca -0.17 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2dnx h LYS 117 Cb 2.02 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.63 2dnx h LYS 117 CO 0.21 0.63 -0.18 0.93 -1.08 0.00 0.00 179.45 179.96 2dnx h GLU 118 N 0.39 0.00 0.14 3.15 4.39 -0.99 -3.18 114.58 118.48 2dnx h GLU 118 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2dnx h GLU 118 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2dnx h GLU 118 CO 0.04 0.00 -0.07 0.87 -1.16 0.00 0.00 179.01 178.69 2dnx h LYS 119 N 0.00 -0.18 -0.94 2.33 1.57 -0.69 -3.08 116.57 115.58 2dnx h LYS 119 Ca 0.00 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.95 2dnx h LYS 119 Cb 0.90 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.15 2dnx h LYS 119 CO 0.00 0.23 0.54 0.93 -0.57 0.00 0.00 179.45 180.58 2dnx h GLU 120 N -0.93 0.73 0.11 3.15 5.08 -1.43 0.86 114.58 122.14 2dnx h GLU 120 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2dnx h GLU 120 Cb 0.50 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2dnx h GLU 120 CO 0.03 0.48 -0.28 1.03 -1.00 0.00 0.00 179.01 179.28 2dnx h SER 121 N 0.75 -0.82 0.83 1.42 0.87 -1.60 -3.18 113.55 111.82 2dnx h SER 121 Ca 0.51 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 61.11 2dnx h SER 121 Cb 0.72 0.30 0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2dnx h SER 121 CO -0.35 -0.31 -0.40 0.40 -0.53 0.00 0.00 176.83 175.64 2dnx h ILE 122 N -0.43 0.00 -3.73 2.23 2.04 -1.33 -3.49 117.51 112.80 2dnx h ILE 122 Ca -0.01 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2dnx h ILE 122 Cb 0.41 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2dnx h ILE 122 CO -0.13 0.00 -0.80 0.00 0.00 0.00 0.00 178.15 177.22 2dnx n ALA 123 N -2.68 -2.20 -2.43 1.87 0.00 0.29 -5.03 120.51 110.33 2dnx n ALA 123 Ca -0.14 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.43 2dnx n ALA 123 Cb 0.44 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 2dnx n ALA 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2dnx s ARG 124 N -1.33 1.58 -0.86 0.00 3.52 -1.26 -5.04 118.95 115.56 2dnx s ARG 124 Ca 0.00 -0.90 -0.29 0.00 -0.13 0.00 0.00 55.73 54.40 2dnx s ARG 124 Cb 0.00 -1.64 -0.18 0.00 -1.56 0.00 0.00 34.95 31.57 2dnx s ARG 124 CO 0.00 0.43 2.62 -1.13 -0.81 0.00 0.00 175.30 176.41 2dnx n SER 125 N 2.10 0.83 0.00 -2.12 3.41 -1.26 -4.52 113.62 112.07 2dnx n SER 125 Ca -0.16 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2dnx n SER 125 Cb 0.53 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 2dnx n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dnx n GLY 126 N 6.36 1.25 3.81 5.00 0.00 -1.26 -5.16 105.19 115.19 2dnx n GLY 126 Ca 0.58 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.48 2dnx n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnx s PRO 127 N 0.00 3.45 -0.30 1.61 0.04 -1.26 -5.06 135.00 133.48 2dnx s PRO 127 Ca 0.00 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 2dnx s PRO 127 Cb 0.00 -2.05 0.15 0.00 0.04 0.00 0.00 34.50 32.64 2dnx s PRO 127 CO 0.00 -0.70 0.93 -1.12 0.04 0.00 0.00 177.00 176.15 2dnx s SER 128 N -2.72 -0.64 0.23 6.66 0.01 -1.26 -5.16 113.70 110.82 2dnx s SER 128 Ca 0.63 0.94 -0.22 0.00 1.31 0.00 0.00 55.95 58.61 2dnx s SER 128 Cb -0.15 1.57 -0.08 0.00 0.21 0.00 0.00 66.02 67.56 2dnx s SER 128 CO 0.34 -0.14 0.78 -0.44 0.41 0.00 0.00 173.24 174.19 2dnx s SER 129 N 2.08 7.17 0.00 2.44 0.01 -1.26 -5.21 113.70 118.93 2dnx s SER 129 Ca -0.06 1.54 0.32 0.00 1.31 0.00 0.00 55.95 59.06 2dnx s SER 129 Cb -0.06 -2.47 1.82 0.00 0.21 0.00 0.00 66.02 65.53 2dnx s SER 129 CO -0.17 0.05 2.18 0.61 0.41 0.00 0.00 173.24 176.32