#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 3.22 -0.07 1.61 0.15 -1.26 -4.98 113.70 112.38 2dnx s SER 2 Ca 0.00 -0.90 -0.05 0.00 0.70 0.00 0.00 55.95 55.70 2dnx s SER 2 Cb 0.00 -0.88 0.02 0.00 -1.71 0.00 0.00 66.02 63.44 2dnx s SER 2 CO 0.00 -0.25 0.10 -1.20 1.20 0.00 0.00 173.24 173.09 2dnx n SER 3 N 4.87 -4.92 -3.18 5.45 7.64 -1.26 -4.72 113.62 117.51 2dnx n SER 3 Ca -0.11 1.52 -0.36 0.00 1.01 0.00 0.00 58.87 60.94 2dnx n SER 3 Cb 0.46 -4.62 -0.04 0.00 -1.01 0.00 0.00 64.21 59.00 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 1.88 4.27 3.31 0.23 0.00 -1.26 -4.83 105.19 108.79 2dnx n GLY 4 Ca -0.17 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 2dnx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnx s SER 5 N 1.83 0.94 0.27 1.61 0.01 -1.26 -5.12 113.70 111.99 2dnx s SER 5 Ca 0.67 -1.54 -0.26 0.00 1.31 0.00 0.00 55.95 56.12 2dnx s SER 5 Cb 0.20 0.52 -0.16 0.00 0.21 0.00 0.00 66.02 66.79 2dnx s SER 5 CO -0.06 -1.03 0.51 -1.54 0.41 0.00 0.00 173.24 171.52 2dnx n SER 6 N -1.03 -1.16 0.00 2.44 3.41 -1.26 -4.90 113.62 111.11 2dnx n SER 6 Ca 0.04 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 2dnx n SER 6 Cb 0.63 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 1.93 2.82 1.31 5.00 0.00 -1.26 -5.13 105.19 109.85 2dnx n GLY 7 Ca 0.15 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.71 -3.75 1.61 7.27 -1.26 -4.87 117.38 113.66 2dnx n GLN 8 Ca 0.00 2.11 -0.28 0.00 0.07 0.00 0.00 57.00 58.89 2dnx n GLN 8 Cb 0.00 -3.30 -0.03 0.00 2.41 0.00 0.00 30.24 29.31 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 -6.69 4.26 -0.19 1.69 1.02 -1.26 -4.76 118.68 112.76 2dnx s LEU 9 Ca 0.00 0.39 -0.04 0.00 0.02 0.00 0.00 54.13 54.50 2dnx s LEU 9 Cb 0.00 -3.13 0.01 0.00 0.02 0.00 0.00 46.19 43.09 2dnx s LEU 9 CO 0.00 0.01 0.07 0.54 0.02 0.00 0.00 176.35 176.99 2dnx n ARG 10 N -0.40 -3.02 -2.34 1.70 1.74 -1.26 -4.92 116.66 108.15 2dnx n ARG 10 Ca -0.05 2.47 -0.34 0.00 -0.77 0.00 0.00 57.85 59.16 2dnx n ARG 10 Cb 0.53 -4.03 -0.01 0.00 -1.02 0.00 0.00 32.46 27.93 2dnx n ARG 10 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2dnx s ASP 11 N -1.07 5.98 0.24 0.55 2.15 -1.26 -4.71 116.67 118.55 2dnx s ASP 11 Ca -0.08 2.02 -0.08 0.00 0.43 0.00 0.00 52.55 54.83 2dnx s ASP 11 Cb 0.01 -2.56 0.40 0.00 -0.30 0.00 0.00 42.92 40.46 2dnx s ASP 11 CO 0.57 -1.03 1.62 0.15 -0.17 0.00 0.00 175.17 176.30 2dnx h PHE 12 N 1.23 -0.20 0.00 -5.34 3.04 -1.96 1.63 116.94 115.34 2dnx h PHE 12 Ca -0.49 0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.48 2dnx h PHE 12 Cb 1.24 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.95 2dnx h PHE 12 CO 0.55 -0.29 -0.18 0.77 -2.02 0.00 0.00 178.31 177.14 2dnx h SER 13 N 0.05 0.00 0.71 0.41 0.02 -1.98 0.55 113.55 113.32 2dnx h SER 13 Ca 0.40 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.12 2dnx h SER 13 Cb 0.68 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2dnx h SER 13 CO -0.73 0.18 -1.05 0.28 -1.14 0.00 0.00 176.83 174.37 2dnx h SER 14 N 0.00 0.26 0.29 3.07 0.02 0.17 -1.70 113.55 115.65 2dnx h SER 14 Ca -0.00 -0.25 -0.34 0.00 -0.84 0.00 0.00 61.79 60.36 2dnx h SER 14 Cb 0.48 -0.08 0.03 0.00 0.14 0.00 0.00 62.40 62.96 2dnx h SER 14 CO 0.02 1.14 -1.55 0.40 -1.14 0.00 0.00 176.83 175.71 2dnx h ILE 15 N 0.07 1.19 0.13 3.27 2.04 0.10 -3.10 117.51 121.21 2dnx h ILE 15 Ca -0.07 -2.69 -0.01 0.00 1.00 0.00 0.00 64.86 63.10 2dnx h ILE 15 Cb 1.76 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.78 2dnx h ILE 15 CO 0.16 0.83 -0.06 0.40 0.00 0.00 0.00 178.15 179.48 2dnx h ILE 16 N 0.13 0.00 -0.94 -0.67 2.04 0.01 -1.09 117.51 116.98 2dnx h ILE 16 Ca -0.27 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 65.67 2dnx h ILE 16 Cb 2.13 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 38.07 2dnx h ILE 16 CO 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 178.15 177.96 2dnx n GLN 17 N -2.59 -0.28 -0.32 2.37 6.02 -0.64 0.19 117.38 122.12 2dnx n GLN 17 Ca -0.02 1.45 0.08 0.00 -0.01 0.00 0.00 57.00 58.49 2dnx n GLN 17 Cb 0.07 -2.14 0.24 0.00 1.02 0.00 0.00 30.24 29.43 2dnx n GLN 17 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2dnx h THR 18 N 0.00 0.79 0.70 5.09 2.02 -1.58 -0.38 112.91 119.56 2dnx h THR 18 Ca 0.28 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2dnx h THR 18 Cb 0.51 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2dnx h THR 18 CO -0.92 0.14 -0.34 0.00 0.37 0.00 0.00 175.52 174.77 2dnx n SER 20 N -5.05 -0.41 0.26 0.00 2.88 0.16 0.10 113.62 111.57 2dnx n SER 20 Ca -0.12 1.64 -0.10 0.00 -1.33 0.00 0.00 58.87 58.96 2dnx n SER 20 Cb 0.37 -0.47 -0.05 0.00 -0.75 0.00 0.00 64.21 63.32 2dnx n SER 20 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2dnx h GLY 21 N 0.00 -0.69 -0.94 0.46 0.00 -0.99 -2.51 103.07 98.39 2dnx h GLY 21 Ca 0.43 0.26 0.11 0.00 0.00 0.00 0.00 47.33 48.12 2dnx h GLY 21 CO -0.97 -0.25 -0.51 3.43 0.00 0.00 0.00 176.54 178.24 2dnx h ASN 22 N -0.66 -1.87 -0.78 0.19 2.35 0.57 0.17 115.58 115.55 2dnx h ASN 22 Ca -0.07 0.31 0.07 0.00 -0.55 0.00 0.00 56.30 56.07 2dnx h ASN 22 Cb 0.51 0.87 -0.09 0.00 0.05 0.00 0.00 38.32 39.65 2dnx h ASN 22 CO 0.11 -0.26 -0.46 -0.38 -1.65 0.00 0.00 177.43 174.79 2dnx n ILE 23 N -5.34 -0.53 -0.23 2.81 5.41 0.12 -0.21 119.36 121.38 2dnx n ILE 23 Ca 0.05 2.19 -0.12 0.00 1.00 0.00 0.00 62.75 65.86 2dnx n ILE 23 Cb 0.32 -2.73 -0.09 0.00 -0.71 0.00 0.00 39.64 36.43 2dnx n ILE 23 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2dnx h GLN 24 N 0.00 -0.21 -0.49 0.38 4.20 -0.23 0.39 115.11 119.15 2dnx h GLN 24 Ca 0.13 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.94 2dnx h GLN 24 Cb 0.32 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.05 2dnx h GLN 24 CO -0.74 -0.14 -0.37 0.00 -0.67 0.00 0.00 178.83 176.91 2dnx h ARG 25 N -0.22 -0.23 -0.72 1.46 -0.00 0.02 1.10 114.38 115.79 2dnx h ARG 25 Ca 0.10 0.02 0.15 0.00 -0.50 0.00 0.00 59.98 59.74 2dnx h ARG 25 Cb 0.48 0.05 -0.13 0.00 0.00 0.00 0.00 29.97 30.37 2dnx h ARG 25 CO -0.68 -0.15 -0.14 0.82 0.00 0.00 0.00 179.97 179.82 2dnx h ILE 26 N -0.24 0.30 -0.15 2.04 2.04 0.12 0.99 117.51 122.61 2dnx h ILE 26 Ca 0.18 -0.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.93 2dnx h ILE 26 Cb 0.56 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2dnx h ILE 26 CO -0.62 0.00 -0.36 -1.28 0.00 0.00 0.00 178.15 175.89 2dnx h SER 27 N 0.02 0.32 0.33 1.72 0.87 0.12 -2.04 113.55 114.89 2dnx h SER 27 Ca 0.36 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 2dnx h SER 27 Cb 0.57 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2dnx h SER 27 CO -0.72 0.67 -0.16 1.56 -0.53 0.00 0.00 176.83 177.65 2dnx h GLN 28 N 0.27 -0.42 -0.96 2.24 4.20 0.83 -1.72 115.11 119.55 2dnx h GLN 28 Ca 0.03 0.03 0.24 0.00 0.06 0.00 0.00 58.65 59.01 2dnx h GLN 28 Cb 0.77 0.10 -0.13 0.00 0.30 0.00 0.00 27.48 28.52 2dnx h GLN 28 CO 0.06 -0.28 0.51 0.00 -0.67 0.00 0.00 178.83 178.44 2dnx h ALA 29 N -1.72 1.66 -0.05 3.87 0.00 0.04 1.52 119.26 124.57 2dnx h ALA 29 Ca -0.04 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2dnx h ALA 29 Cb 0.34 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2dnx h ALA 29 CO 0.07 -0.34 0.04 1.15 0.00 0.00 0.00 179.25 180.18 2dnx h THR 30 N 0.47 0.95 0.10 0.00 2.02 -1.27 -0.59 112.91 114.58 2dnx h THR 30 Ca 0.62 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 67.51 2dnx h THR 30 Cb 1.21 0.97 0.03 0.00 -1.74 0.00 0.00 68.15 68.62 2dnx h THR 30 CO -0.52 0.00 -1.21 0.00 0.37 0.00 0.00 175.52 174.16 2dnx h ALA 31 N 1.97 0.02 -0.95 6.16 0.00 0.30 -2.97 119.26 123.80 2dnx h ALA 31 Ca 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.19 2dnx h ALA 31 Cb 0.11 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2dnx h ALA 31 CO -0.00 0.69 0.62 1.96 0.00 0.00 0.00 179.25 182.52 2dnx h GLN 32 N 0.31 1.25 -0.34 0.00 4.20 0.20 0.81 115.11 121.54 2dnx h GLN 32 Ca -0.18 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 2dnx h GLN 32 Cb 1.88 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 29.36 2dnx h GLN 32 CO 0.23 0.83 0.16 0.82 -0.67 0.00 0.00 178.83 180.21 2dnx h ILE 33 N 1.29 1.16 -0.32 2.54 2.04 -1.19 1.28 117.51 124.31 2dnx h ILE 33 Ca 0.35 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 2dnx h ILE 33 Cb -0.14 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2dnx h ILE 33 CO -0.07 0.17 -0.11 0.11 0.00 0.00 0.00 178.15 178.25 2dnx h LYS 34 N 0.41 0.64 -0.41 2.37 1.57 -1.22 0.43 116.57 120.36 2dnx h LYS 34 Ca 0.12 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 2dnx h LYS 34 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2dnx h LYS 34 CO -0.01 0.83 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.78 2dnx h ASN 35 N 0.41 0.64 1.21 0.86 2.35 0.89 -0.73 115.58 121.22 2dnx h ASN 35 Ca 0.08 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2dnx h ASN 35 Cb 0.61 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2dnx h ASN 35 CO 0.04 0.72 -0.09 0.18 -1.65 0.00 0.00 177.43 176.63 2dnx n LEU 36 N -4.23 0.53 0.08 1.61 4.77 0.44 -3.17 117.00 117.03 2dnx n LEU 36 Ca 0.02 0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 56.38 2dnx n LEU 36 Cb 0.28 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 2dnx n LEU 36 CO 0.40 -0.09 0.14 -0.03 -1.33 0.00 0.00 177.39 176.47 2dnx h MET 37 N 0.00 0.18 0.04 3.23 4.05 0.14 -1.22 114.93 121.34 2dnx h MET 37 Ca 0.00 -0.25 -0.24 0.00 -0.28 0.00 0.00 59.70 58.93 2dnx h MET 37 Cb 0.65 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2dnx h MET 37 CO 0.00 1.05 -1.03 1.03 0.23 0.00 0.00 176.91 178.19 2dnx h SER 38 N 0.08 0.54 -0.07 1.39 0.87 -1.41 0.55 113.55 115.49 2dnx h SER 38 Ca -0.06 -0.46 -0.22 0.00 -1.23 0.00 0.00 61.79 59.81 2dnx h SER 38 Cb 1.70 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.51 2dnx h SER 38 CO 0.15 1.28 -0.80 0.06 -0.53 0.00 0.00 176.83 177.00 2dnx h GLN 39 N 0.20 0.73 0.00 2.24 3.07 -1.59 -3.06 115.11 116.70 2dnx h GLN 39 Ca -0.10 -0.61 0.00 0.00 0.09 0.00 0.00 58.65 58.03 2dnx h GLN 39 Cb 1.68 0.13 0.00 0.00 0.08 0.00 0.00 27.48 29.38 2dnx h GLN 39 CO 0.18 1.22 -0.46 1.47 0.09 0.00 0.00 178.83 181.33 2dnx n LEU 40 N -3.91 0.64 -3.25 0.06 -0.00 -0.46 -3.62 117.00 106.46 2dnx n LEU 40 Ca -0.07 0.27 -0.40 0.00 -0.00 0.00 0.00 56.01 55.81 2dnx n LEU 40 Cb 0.75 -0.24 0.03 0.00 -0.00 0.00 0.00 43.42 43.97 2dnx n LEU 40 CO 0.53 -0.05 1.41 0.61 -0.00 0.00 0.00 177.39 179.89 2dnx n GLY 41 N 1.37 5.84 0.00 1.47 0.00 0.19 -4.26 105.19 109.80 2dnx n GLY 41 Ca 0.04 -2.55 0.00 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.30 0.00 -2.42 2.61 5.66 -1.25 -4.81 114.28 113.77 2dnx n THR 42 Ca 0.49 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 61.25 2dnx n THR 42 Cb 0.26 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.09 2dnx n THR 42 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2dnx s LYS 43 N -0.96 2.54 0.00 1.09 -0.14 -1.24 -5.03 119.74 115.99 2dnx s LYS 43 Ca 0.00 -0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 2dnx s LYS 43 Cb 0.00 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 33.85 2dnx s LYS 43 CO 0.00 -0.90 0.42 1.04 -0.76 0.00 0.00 175.35 175.15 2dnx n GLN 44 N -2.63 0.00 -3.75 1.68 3.00 -1.26 -4.94 117.38 109.48 2dnx n GLN 44 Ca 0.07 0.29 0.03 0.00 -0.01 0.00 0.00 57.00 57.38 2dnx n GLN 44 Cb 0.59 -0.92 0.00 0.00 0.00 0.00 0.00 30.24 29.92 2dnx n GLN 44 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2dnx s ASP 45 N -2.70 -0.02 0.00 1.08 2.15 -1.26 -5.04 116.67 110.88 2dnx s ASP 45 Ca 0.00 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.88 2dnx s ASP 45 Cb 0.00 0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 2dnx s ASP 45 CO 0.00 -0.17 0.00 -0.24 -0.17 0.00 0.00 175.17 174.59 2dnx n SER 46 N -0.71 0.00 -0.25 -0.34 2.88 -1.26 -5.01 113.62 108.92 2dnx n SER 46 Ca -0.04 0.00 0.24 0.00 -1.33 0.00 0.00 58.87 57.74 2dnx n SER 46 Cb 0.61 0.00 0.59 0.00 -0.75 0.00 0.00 64.21 64.66 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 0.27 -0.96 -3.46 0.87 -2.02 0.15 113.55 108.42 2dnx h SER 47 Ca 0.00 0.04 0.30 0.00 -1.23 0.00 0.00 61.79 60.90 2dnx h SER 47 Cb 0.00 -0.01 -0.16 0.00 -0.44 0.00 0.00 62.40 61.79 2dnx h SER 47 CO 0.00 0.09 0.37 0.50 -0.53 0.00 0.00 176.83 177.25 2dnx h LYS 48 N 0.26 0.17 0.05 2.24 1.63 -1.99 0.92 116.57 119.86 2dnx h LYS 48 Ca 0.50 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.28 2dnx h LYS 48 Cb 1.49 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 2dnx h LYS 48 CO -0.15 0.11 -0.02 -0.07 -3.45 0.00 0.00 179.45 175.87 2dnx h LEU 49 N 0.18 -0.06 -1.37 5.20 3.38 -1.11 -2.71 115.31 118.81 2dnx h LEU 49 Ca 0.67 0.00 0.46 0.00 0.09 0.00 0.00 57.88 59.11 2dnx h LEU 49 Cb 1.51 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 42.15 2dnx h LEU 49 CO -0.70 0.28 0.90 0.00 0.09 0.00 0.00 178.44 179.00 2dnx n GLN 50 N -3.94 -0.03 -0.03 1.13 6.02 -0.69 0.20 117.38 120.03 2dnx n GLN 50 Ca -0.01 1.17 -0.14 0.00 -0.01 0.00 0.00 57.00 58.01 2dnx n GLN 50 Cb 0.03 -2.34 -0.10 0.00 1.02 0.00 0.00 30.24 28.84 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 0.10 -1.01 -1.09 4.39 0.75 -2.88 114.58 114.85 2dnx h GLU 51 Ca 0.84 -0.08 0.25 0.00 0.34 0.00 0.00 59.36 60.71 2dnx h GLU 51 Cb 2.79 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 31.37 2dnx h GLU 51 CO -0.39 0.70 0.65 -0.97 -1.16 0.00 0.00 179.01 177.84 2dnx h ASN 52 N -0.47 0.44 0.24 1.42 -0.73 0.25 0.01 115.58 116.73 2dnx h ASN 52 Ca -0.00 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 2dnx h ASN 52 Cb 0.71 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.30 2dnx h ASN 52 CO 0.02 0.11 -0.12 -0.07 -0.37 0.00 0.00 177.43 177.00 2dnx h LEU 53 N 0.40 -0.28 -0.92 0.34 3.38 -1.11 0.03 115.31 117.15 2dnx h LEU 53 Ca 0.56 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.71 2dnx h LEU 53 Cb 1.41 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 42.07 2dnx h LEU 53 CO -0.26 -0.17 -0.29 1.56 0.09 0.00 0.00 178.44 179.37 2dnx h GLN 54 N -0.38 -0.01 -0.05 1.13 1.08 -1.12 1.61 115.11 117.37 2dnx h GLN 54 Ca -0.03 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2dnx h GLN 54 Cb 0.25 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 2dnx h GLN 54 CO 0.05 -0.01 -0.20 1.96 -0.95 0.00 0.00 178.83 179.68 2dnx h GLN 55 N -0.01 -0.29 -0.76 1.46 4.20 -1.02 0.33 115.11 119.03 2dnx h GLN 55 Ca 0.40 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.11 2dnx h GLN 55 Cb 0.64 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 2dnx h GLN 55 CO -0.94 -0.19 0.40 -0.07 -0.67 0.00 0.00 178.83 177.36 2dnx h LEU 56 N -0.30 0.95 0.16 1.46 3.38 0.17 -0.16 115.31 120.98 2dnx h LEU 56 Ca 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2dnx h LEU 56 Cb 0.40 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2dnx h LEU 56 CO -0.22 0.77 -0.08 1.56 0.09 0.00 0.00 178.44 180.56 2dnx h GLN 57 N 1.06 -0.22 -0.62 1.13 4.20 0.33 -2.43 115.11 118.56 2dnx h GLN 57 Ca 0.27 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.11 2dnx h GLN 57 Cb 0.04 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.75 2dnx h GLN 57 CO -0.04 -0.14 -0.20 1.25 -0.67 0.00 0.00 178.83 179.03 2dnx h HIS 58 N -0.23 -0.46 -0.97 2.96 2.76 -0.36 0.42 115.15 119.27 2dnx h HIS 58 Ca -0.02 0.06 0.31 0.00 -2.20 0.00 0.00 60.37 58.52 2dnx h HIS 58 Cb 0.17 0.30 -0.17 0.00 1.55 0.00 0.00 27.41 29.26 2dnx h HIS 58 CO 0.17 -0.30 0.25 1.03 -1.30 0.00 0.00 177.93 177.77 2dnx h SER 59 N -0.04 -0.10 -0.07 3.26 0.87 -0.96 0.91 113.55 117.42 2dnx h SER 59 Ca 0.29 0.26 -0.19 0.00 -1.23 0.00 0.00 61.79 60.92 2dnx h SER 59 Cb 0.49 0.36 0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2dnx h SER 59 CO -0.66 -0.34 -0.70 0.74 -0.53 0.00 0.00 176.83 175.34 2dnx h THR 60 N 0.06 1.34 -0.45 2.23 2.02 0.24 -2.88 112.91 115.46 2dnx h THR 60 Ca 0.68 -2.00 0.09 0.00 0.77 0.00 0.00 66.41 65.95 2dnx h THR 60 Cb 1.55 2.26 -0.10 0.00 -1.74 0.00 0.00 68.15 70.13 2dnx h THR 60 CO -0.81 0.61 -0.31 -1.13 0.37 0.00 0.00 175.52 174.25 2dnx h ASN 61 N 0.23 -1.03 0.58 4.18 -0.73 0.27 0.15 115.58 119.23 2dnx h ASN 61 Ca -0.07 0.19 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 2dnx h ASN 61 Cb 1.36 0.50 -0.01 0.00 0.27 0.00 0.00 38.32 40.44 2dnx h ASN 61 CO 0.14 -0.30 -0.41 1.56 -0.37 0.00 0.00 177.43 178.05 2dnx h GLN 62 N -0.21 -0.90 -0.70 6.67 1.08 -1.00 -1.72 115.11 118.33 2dnx h GLN 62 Ca 0.19 0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.52 2dnx h GLN 62 Cb 0.53 0.21 -0.08 0.00 -0.05 0.00 0.00 27.48 28.08 2dnx h GLN 62 CO -0.57 -0.60 -0.41 1.28 -0.95 0.00 0.00 178.83 177.58 2dnx n LEU 63 N -4.94 -0.74 -0.32 1.46 4.77 -0.87 0.22 117.00 116.58 2dnx n LEU 63 Ca -0.11 1.51 -0.06 0.00 -0.03 0.00 0.00 56.01 57.31 2dnx n LEU 63 Cb 0.40 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2dnx n LEU 63 CO 0.26 -1.14 0.56 0.00 -1.33 0.00 0.00 177.39 175.73 2dnx h ALA 64 N 0.09 -0.21 -0.91 -1.18 0.00 -0.62 1.13 119.26 117.57 2dnx h ALA 64 Ca 0.11 0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.31 2dnx h ALA 64 Cb 0.29 1.07 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 2dnx h ALA 64 CO -0.66 -0.79 -0.49 0.87 0.00 0.00 0.00 179.25 178.19 2dnx h LYS 65 N -0.09 -0.05 -0.38 0.00 1.57 0.72 0.51 116.57 118.85 2dnx h LYS 65 Ca 0.23 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2dnx h LYS 65 Cb 0.54 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 2dnx h LYS 65 CO -0.85 -0.03 0.14 0.93 -0.57 0.00 0.00 179.45 179.06 2dnx h GLU 66 N -0.05 0.58 -0.30 3.15 5.08 0.62 -2.30 114.58 121.36 2dnx h GLU 66 Ca 0.23 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2dnx h GLU 66 Cb 0.51 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 2dnx h GLU 66 CO -0.91 0.58 -0.48 1.15 -1.00 0.00 0.00 179.01 178.35 2dnx h THR 67 N 0.47 0.07 -0.38 1.13 2.02 0.52 1.05 112.91 117.80 2dnx h THR 67 Ca 0.13 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.38 2dnx h THR 67 Cb 0.22 0.07 -0.07 0.00 -1.74 0.00 0.00 68.15 66.64 2dnx h THR 67 CO -0.01 0.00 -0.06 -1.13 0.37 0.00 0.00 175.52 174.70 2dnx h ASN 68 N -0.43 -0.27 -0.26 4.18 -0.73 -0.14 0.15 115.58 118.08 2dnx h ASN 68 Ca 0.09 0.10 0.05 0.00 1.87 0.00 0.00 56.30 58.41 2dnx h ASN 68 Cb 0.62 0.20 -0.04 0.00 0.27 0.00 0.00 38.32 39.37 2dnx h ASN 68 CO -0.52 -0.09 -0.01 -0.33 -0.37 0.00 0.00 177.43 176.10 2dnx h GLU 69 N 0.04 0.06 -0.67 6.67 4.39 -0.51 -0.75 114.58 123.81 2dnx h GLU 69 Ca 0.18 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.97 2dnx h GLU 69 Cb 0.27 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.84 2dnx h GLU 69 CO -0.36 0.04 0.32 -0.07 -1.16 0.00 0.00 179.01 177.78 2dnx h LEU 70 N 0.06 0.40 -0.84 1.33 3.38 0.22 0.46 115.31 120.33 2dnx h LEU 70 Ca 0.12 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.23 2dnx h LEU 70 Cb 0.17 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 2dnx h LEU 70 CO -0.22 0.24 0.50 -0.07 0.09 0.00 0.00 178.44 178.98 2dnx h LEU 71 N 0.55 0.75 -0.49 1.67 3.38 0.33 0.01 115.31 121.52 2dnx h LEU 71 Ca 0.32 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.36 2dnx h LEU 71 Cb 0.34 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2dnx h LEU 71 CO -0.26 0.46 0.27 0.11 0.09 0.00 0.00 178.44 179.11 2dnx h LYS 72 N 0.88 0.53 -0.34 1.13 1.57 0.44 -2.21 116.57 118.57 2dnx h LYS 72 Ca 0.38 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.14 2dnx h LYS 72 Cb 0.26 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2dnx h LYS 72 CO -0.21 0.35 0.20 0.93 -0.57 0.00 0.00 179.45 180.15 2dnx h GLU 73 N 0.54 0.40 -0.08 3.15 5.08 -0.09 -0.32 114.58 123.27 2dnx h GLU 73 Ca 0.20 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2dnx h GLU 73 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2dnx h GLU 73 CO -0.11 0.26 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.02 2dnx h LEU 74 N 0.41 -0.23 -2.19 1.33 3.38 -0.43 0.65 115.31 118.23 2dnx h LEU 74 Ca 0.13 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.19 2dnx h LEU 74 Cb -0.00 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2dnx h LEU 74 CO -0.06 -0.04 0.19 1.23 0.09 0.00 0.00 178.44 179.85 2dnx h GLY 75 N -0.03 0.00 1.10 0.83 0.00 -1.42 0.15 103.07 103.70 2dnx h GLY 75 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 2dnx h GLY 75 CO -0.09 0.00 0.21 0.23 0.00 0.00 0.00 176.54 176.90 2dnx h SER 76 N 0.00 1.05 -3.31 0.19 0.87 0.19 -3.44 113.55 109.10 2dnx h SER 76 Ca 0.09 -0.20 -0.56 0.00 -1.23 0.00 0.00 61.79 59.89 2dnx h SER 76 Cb 0.46 -0.27 0.18 0.00 -0.44 0.00 0.00 62.40 62.33 2dnx h SER 76 CO -0.00 0.98 -0.26 0.18 -0.53 0.00 0.00 176.83 177.20 2dnx n LEU 77 N -4.25 1.56 0.00 2.23 4.77 0.10 -4.99 117.00 116.43 2dnx n LEU 77 Ca 0.06 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 2dnx n LEU 77 Cb 0.23 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 2dnx n LEU 77 CO 0.42 -2.80 0.00 -0.81 -1.33 0.00 0.00 177.39 172.86 2dnx n PRO 78 N -0.87 -0.07 -4.33 3.23 -0.04 -1.26 -5.02 135.00 126.63 2dnx n PRO 78 Ca 0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 2dnx n PRO 78 Cb 0.49 0.00 -0.13 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 2.19 0.83 1.53 1.43 -1.26 -5.09 118.68 118.31 2dnx s LEU 79 Ca 0.00 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 2dnx s LEU 79 Cb 0.00 -0.59 0.09 0.00 0.03 0.00 0.00 46.19 45.71 2dnx s LEU 79 CO 0.00 0.02 1.11 -2.16 0.23 0.00 0.00 176.35 175.54 2dnx s PRO 80 N -1.23 1.84 0.29 1.29 0.04 -1.26 -4.96 135.00 131.01 2dnx s PRO 80 Ca 0.01 0.55 0.08 0.00 0.04 0.00 0.00 61.00 61.68 2dnx s PRO 80 Cb -0.08 -1.90 0.43 0.00 0.04 0.00 0.00 34.50 32.99 2dnx s PRO 80 CO 0.01 -1.77 1.67 -0.07 0.04 0.00 0.00 177.00 176.88 2dnx h LEU 81 N -1.19 0.16 -9.78 -3.56 -0.00 -2.02 -3.43 115.31 95.47 2dnx h LEU 81 Ca -0.48 -0.08 -0.52 0.00 -0.00 0.00 0.00 57.88 56.80 2dnx h LEU 81 Cb 1.28 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.87 2dnx h LEU 81 CO 0.60 0.63 0.15 -0.44 -0.00 0.00 0.00 178.44 179.38 2dnx s SER 82 N -6.88 7.23 -0.01 -0.43 0.01 -1.26 -4.98 113.70 107.37 2dnx s SER 82 Ca -0.03 1.54 -0.20 0.00 1.31 0.00 0.00 55.95 58.57 2dnx s SER 82 Cb 0.13 -2.46 -0.32 0.00 0.21 0.00 0.00 66.02 63.58 2dnx s SER 82 CO 0.77 0.13 0.95 0.74 0.41 0.00 0.00 173.24 176.24 2dnx h THR 83 N 3.07 1.42 -1.29 1.44 2.02 -2.00 -3.04 112.91 114.53 2dnx h THR 83 Ca -0.48 -2.56 0.40 0.00 0.77 0.00 0.00 66.41 64.55 2dnx h THR 83 Cb 1.20 3.09 -0.11 0.00 -1.74 0.00 0.00 68.15 70.59 2dnx h THR 83 CO 0.65 0.74 0.85 -1.28 0.37 0.00 0.00 175.52 176.85 2dnx h SER 84 N -0.15 0.25 0.15 4.18 0.87 -1.98 0.74 113.55 117.61 2dnx h SER 84 Ca -0.18 0.11 -0.21 0.00 -1.23 0.00 0.00 61.79 60.29 2dnx h SER 84 Cb 1.81 0.09 0.02 0.00 -0.44 0.00 0.00 62.40 63.88 2dnx h SER 84 CO 0.20 -0.10 -0.90 -0.33 -0.53 0.00 0.00 176.83 175.16 2dnx h GLU 85 N 0.14 0.34 -0.87 2.24 4.39 -1.97 -3.02 114.58 115.82 2dnx h GLU 85 Ca 0.76 -0.57 0.21 0.00 0.34 0.00 0.00 59.36 60.11 2dnx h GLU 85 Cb 2.40 0.21 -0.12 0.00 -0.10 0.00 0.00 28.75 31.14 2dnx h GLU 85 CO -0.34 1.27 0.36 1.96 -1.16 0.00 0.00 179.01 181.10 2dnx h GLN 86 N -0.29 0.37 0.40 2.33 4.20 0.53 0.55 115.11 123.21 2dnx h GLN 86 Ca -0.16 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 2dnx h GLN 86 Cb 1.71 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.41 2dnx h GLN 86 CO 0.17 0.25 -0.19 0.00 -0.67 0.00 0.00 178.83 178.38 2dnx h ARG 87 N 0.39 -0.52 -1.35 1.46 -0.00 -1.22 -0.22 114.38 112.91 2dnx h ARG 87 Ca 0.54 0.04 0.39 0.00 -0.50 0.00 0.00 59.98 60.45 2dnx h ARG 87 Cb 1.00 0.12 -0.05 0.00 0.00 0.00 0.00 29.97 31.04 2dnx h ARG 87 CO -0.53 -0.35 1.19 1.96 0.00 0.00 0.00 179.97 182.25 2dnx h GLN 88 N -0.76 0.00 0.00 0.04 1.08 -1.28 1.23 115.11 115.42 2dnx h GLN 88 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2dnx h GLN 88 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2dnx h GLN 88 CO 0.09 0.00 -0.00 1.96 -0.95 0.00 0.00 178.83 179.93 2dnx h GLN 89 N 0.00 0.00 -0.70 1.46 4.20 -0.72 -3.21 115.11 116.13 2dnx h GLN 89 Ca 0.64 0.00 0.17 0.00 0.06 0.00 0.00 58.65 59.52 2dnx h GLN 89 Cb 3.02 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 30.76 2dnx h GLN 89 CO -0.01 0.00 0.49 0.07 -0.67 0.00 0.00 178.83 178.71 2dnx h ARG 90 N -0.48 0.20 -0.65 1.46 0.11 0.93 0.15 114.38 116.10 2dnx h ARG 90 Ca 0.00 -0.01 0.05 0.00 0.10 0.00 0.00 59.98 60.12 2dnx h ARG 90 Cb 0.00 -0.04 -0.05 0.00 1.11 0.00 0.00 29.97 30.99 2dnx h ARG 90 CO 0.00 0.13 0.37 -0.07 0.10 0.00 0.00 179.97 180.50 2dnx h LEU 91 N 0.20 0.57 -0.18 0.08 3.38 0.13 0.27 115.31 119.76 2dnx h LEU 91 Ca 0.34 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 2dnx h LEU 91 Cb 1.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2dnx h LEU 91 CO -0.07 0.38 -0.05 1.56 0.09 0.00 0.00 178.44 180.35 2dnx h GLN 92 N 0.70 0.36 0.48 1.13 1.08 -0.73 -2.79 115.11 115.34 2dnx h GLN 92 Ca 0.28 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2dnx h GLN 92 Cb 0.12 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2dnx h GLN 92 CO -0.15 0.63 -0.50 -0.22 -0.95 0.00 0.00 178.83 177.64 2dnx h LYS 93 N 0.07 -0.94 -0.96 1.46 3.64 -0.79 0.72 116.57 119.77 2dnx h LYS 93 Ca 0.05 0.06 0.29 0.00 -1.27 0.00 0.00 60.65 59.78 2dnx h LYS 93 Cb 0.50 0.21 -0.17 0.00 -0.41 0.00 0.00 32.23 32.37 2dnx h LYS 93 CO 0.02 -0.63 0.17 0.93 -2.27 0.00 0.00 179.45 177.68 2dnx h GLU 94 N -0.98 0.06 -0.05 1.90 4.39 -0.51 0.51 114.58 119.89 2dnx h GLU 94 Ca -0.06 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2dnx h GLU 94 Cb 0.85 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2dnx h GLU 94 CO -0.07 0.04 -0.05 -0.09 -1.16 0.00 0.00 179.01 177.67 2dnx h ARG 95 N 0.06 0.13 -0.91 2.33 2.43 -1.04 -2.69 114.38 114.69 2dnx h ARG 95 Ca 0.63 -0.07 0.23 0.00 -0.81 0.00 0.00 59.98 59.96 2dnx h ARG 95 Cb 1.38 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.80 2dnx h ARG 95 CO -0.82 0.58 0.41 -0.07 -1.51 0.00 0.00 179.97 178.56 2dnx h LEU 96 N -0.32 0.35 0.78 3.80 3.38 0.51 1.11 115.31 124.92 2dnx h LEU 96 Ca 0.01 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2dnx h LEU 96 Cb 0.56 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2dnx h LEU 96 CO 0.01 -0.02 -0.37 0.24 0.09 0.00 0.00 178.44 178.39 2dnx h MET 97 N 0.39 -1.01 0.76 1.13 2.86 -0.62 0.01 114.93 118.45 2dnx h MET 97 Ca 0.58 0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 58.25 2dnx h MET 97 Cb 1.13 0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2dnx h MET 97 CO -0.54 -0.66 -0.42 -0.91 1.06 0.00 0.00 176.91 175.44 2dnx h ASN 98 N -1.14 -1.03 -0.98 1.22 2.35 -0.82 -0.10 115.58 115.08 2dnx h ASN 98 Ca -0.11 0.05 0.11 0.00 -0.55 0.00 0.00 56.30 55.80 2dnx h ASN 98 Cb 0.82 0.28 -0.13 0.00 0.05 0.00 0.00 38.32 39.34 2dnx h ASN 98 CO 0.18 -0.67 -0.50 0.47 -1.65 0.00 0.00 177.43 175.25 2dnx n ASP 99 N -5.09 -0.88 0.04 5.81 9.92 0.37 -0.34 116.55 126.38 2dnx n ASP 99 Ca -0.13 1.74 -0.13 0.00 -0.53 0.00 0.00 54.79 55.74 2dnx n ASP 99 Cb 0.44 -0.29 -0.06 0.00 -0.64 0.00 0.00 41.12 40.57 2dnx n ASP 99 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2dnx h PHE 100 N 0.00 -1.17 -0.04 1.24 3.57 -0.82 -2.22 116.94 117.50 2dnx h PHE 100 Ca 0.23 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2dnx h PHE 100 Cb 0.48 0.52 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2dnx h PHE 100 CO -0.96 -0.48 -0.04 0.66 -2.23 0.00 0.00 178.31 175.27 2dnx h SER 101 N -0.53 -0.12 -1.00 0.41 4.64 0.13 2.14 113.55 119.21 2dnx h SER 101 Ca 0.06 0.02 0.38 0.00 -0.47 0.00 0.00 61.79 61.78 2dnx h SER 101 Cb 0.64 0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 62.64 2dnx h SER 101 CO -0.34 -0.02 0.59 0.00 -0.87 0.00 0.00 176.83 176.19 2dnx n ALA 102 N -2.84 1.01 -0.05 5.18 0.00 -0.24 0.31 120.51 123.87 2dnx n ALA 102 Ca -0.00 0.81 -0.13 0.00 0.00 0.00 0.00 53.44 54.12 2dnx n ALA 102 Cb 0.02 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 18.47 2dnx n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dnx h ALA 103 N 1.55 -0.01 0.62 0.00 0.00 0.78 -2.70 119.26 119.49 2dnx h ALA 103 Ca 0.74 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2dnx h ALA 103 Cb 2.14 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.94 2dnx h ALA 103 CO -0.54 -0.07 -0.30 1.25 0.00 0.00 0.00 179.25 179.60 2dnx h LEU 104 N -0.88 -0.70 -0.87 0.00 7.12 1.53 -2.34 115.31 119.17 2dnx h LEU 104 Ca -0.00 -0.00 0.23 0.00 0.13 0.00 0.00 57.88 58.24 2dnx h LEU 104 Cb 0.84 0.18 -0.14 0.00 -0.53 0.00 0.00 40.66 41.01 2dnx h LEU 104 CO 0.00 -0.45 0.24 -1.13 -0.13 0.00 0.00 178.44 176.97 2dnx h ASN 105 N -0.90 0.02 -0.16 1.25 -0.73 0.47 0.41 115.58 115.95 2dnx h ASN 105 Ca -0.08 0.19 0.05 0.00 1.87 0.00 0.00 56.30 58.33 2dnx h ASN 105 Cb 0.66 0.26 -0.06 0.00 0.27 0.00 0.00 38.32 39.45 2dnx h ASN 105 CO 0.14 -0.14 -0.23 0.78 -0.37 0.00 0.00 177.43 177.61 2dnx h ASN 106 N 0.22 -0.71 -0.99 1.15 2.35 -1.12 0.14 115.58 116.62 2dnx h ASN 106 Ca 0.55 0.12 0.06 0.00 -0.55 0.00 0.00 56.30 56.48 2dnx h ASN 106 Cb 1.09 0.32 -0.07 0.00 0.05 0.00 0.00 38.32 39.71 2dnx h ASN 106 CO -0.64 -0.27 0.64 0.15 -1.65 0.00 0.00 177.43 175.65 2dnx h PHE 107 N -0.27 1.18 0.95 1.19 3.57 0.23 -0.93 116.94 122.85 2dnx h PHE 107 Ca 0.11 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 2dnx h PHE 107 Cb 0.44 -0.39 0.01 0.00 2.79 0.00 0.00 35.95 38.80 2dnx h PHE 107 CO -0.34 0.61 -0.47 1.96 -2.23 0.00 0.00 178.31 177.84 2dnx h GLN 108 N 1.16 -1.25 -0.11 1.11 4.20 0.55 1.33 115.11 122.10 2dnx h GLN 108 Ca 0.42 0.09 0.03 0.00 0.06 0.00 0.00 58.65 59.25 2dnx h GLN 108 Cb 0.16 0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 2dnx h GLN 108 CO -0.17 -0.83 0.29 0.00 -0.67 0.00 0.00 178.83 177.45 2dnx h ALA 109 N -1.25 1.52 0.08 3.87 0.00 -0.54 0.56 119.26 123.51 2dnx h ALA 109 Ca -0.13 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.47 2dnx h ALA 109 Cb 1.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2dnx h ALA 109 CO 0.20 -0.35 -1.66 0.28 0.00 0.00 0.00 179.25 177.73 2dnx h VAL 110 N 0.00 0.98 -0.64 0.00 2.07 -0.05 -3.12 116.25 115.48 2dnx h VAL 110 Ca 0.05 -2.70 -0.03 0.00 0.82 0.00 0.00 66.70 64.84 2dnx h VAL 110 Cb 0.63 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 2dnx h VAL 110 CO -0.00 0.75 0.27 0.06 0.02 0.00 0.00 177.57 178.66 2dnx h GLN 111 N 0.05 0.94 0.11 1.57 3.07 0.70 0.25 115.11 121.80 2dnx h GLN 111 Ca -0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 58.65 58.31 2dnx h GLN 111 Cb 2.01 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 29.40 2dnx h GLN 111 CO 0.12 0.76 -0.05 -0.09 0.09 0.00 0.00 178.83 179.65 2dnx h ARG 112 N 0.92 -0.15 -0.88 0.06 1.12 -1.30 -2.35 114.38 111.82 2dnx h ARG 112 Ca 0.22 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.20 2dnx h ARG 112 Cb 0.17 0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 30.08 2dnx h ARG 112 CO -0.02 0.27 0.52 0.00 -3.11 0.00 0.00 179.97 177.63 2dnx h ARG 113 N -0.62 0.84 -0.73 0.20 2.47 -1.45 -0.02 114.38 115.08 2dnx h ARG 113 Ca -0.02 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.68 2dnx h ARG 113 Cb 0.48 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 28.57 2dnx h ARG 113 CO 0.03 0.56 0.46 0.28 0.56 0.00 0.00 179.97 181.85 2dnx h VAL 114 N 0.87 1.12 0.30 2.04 2.07 -0.91 -1.39 116.25 120.34 2dnx h VAL 114 Ca 0.42 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 2dnx h VAL 114 Cb 0.38 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2dnx h VAL 114 CO -0.25 0.17 -0.23 0.28 0.02 0.00 0.00 177.57 177.56 2dnx h SER 115 N 0.91 -0.59 -0.89 0.57 0.02 -0.48 -0.77 113.55 112.32 2dnx h SER 115 Ca 0.29 0.04 0.18 0.00 -0.84 0.00 0.00 61.79 61.46 2dnx h SER 115 Cb -0.01 0.19 -0.11 0.00 0.14 0.00 0.00 62.40 62.61 2dnx h SER 115 CO -0.10 -0.35 0.45 -0.08 -1.14 0.00 0.00 176.83 175.61 2dnx h GLU 116 N -0.53 0.54 0.31 3.45 4.22 -0.87 0.35 114.58 122.05 2dnx h GLU 116 Ca -0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 2dnx h GLU 116 Cb 0.46 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2dnx h GLU 116 CO -0.00 0.36 -0.16 0.87 -2.18 0.00 0.00 179.01 177.89 2dnx h LYS 117 N 0.56 -0.42 0.00 1.92 1.79 -0.63 0.32 116.57 120.11 2dnx h LYS 117 Ca 0.52 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.02 2dnx h LYS 117 Cb 0.86 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 2dnx h LYS 117 CO -0.43 -0.28 0.00 0.39 -1.08 0.00 0.00 179.45 178.05 2dnx n GLU 118 N -5.29 0.08 -0.03 3.15 -0.58 -0.16 -1.68 120.64 116.14 2dnx n GLU 118 Ca -0.10 0.44 -0.21 0.00 -0.42 0.00 0.00 57.16 56.88 2dnx n GLU 118 Cb 0.20 -1.70 -0.13 0.00 -0.57 0.00 0.00 31.44 29.24 2dnx n GLU 118 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2dnx h LYS 119 N 0.00 0.15 -0.36 3.49 3.64 0.13 -3.31 116.57 120.30 2dnx h LYS 119 Ca 0.00 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.09 2dnx h LYS 119 Cb 0.16 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2dnx h LYS 119 CO 0.00 1.12 0.08 1.49 -2.27 0.00 0.00 179.45 179.87 2dnx h GLU 120 N -0.56 0.54 0.38 1.90 4.81 0.21 0.64 114.58 122.51 2dnx h GLU 120 Ca -0.29 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 2dnx h GLU 120 Cb 1.56 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 2dnx h GLU 120 CO -0.02 0.51 -0.44 0.77 -0.73 0.00 0.00 179.01 179.09 2dnx h SER 121 N 0.53 -1.24 0.21 1.04 0.02 -1.45 -3.31 113.55 109.35 2dnx h SER 121 Ca 0.12 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2dnx h SER 121 Cb 0.22 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2dnx h SER 121 CO -0.00 -0.56 -0.10 0.40 -1.14 0.00 0.00 176.83 175.42 2dnx h ILE 122 N -0.84 0.00 -2.21 3.27 5.03 -1.62 -3.50 117.51 117.64 2dnx h ILE 122 Ca -0.05 -0.47 0.23 0.00 -0.12 0.00 0.00 64.86 64.45 2dnx h ILE 122 Cb 0.74 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.48 2dnx h ILE 122 CO -0.09 0.00 -0.31 0.00 -0.68 0.00 0.00 178.15 177.08 2dnx n ALA 123 N -2.51 -2.19 -0.70 1.87 0.00 0.22 -4.83 120.51 112.38 2dnx n ALA 123 Ca -0.04 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 2dnx n ALA 123 Cb 0.11 -0.76 0.15 0.00 0.00 0.00 0.00 19.45 18.96 2dnx n ALA 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dnx n ARG 124 N -3.01 -1.49 -2.73 0.00 3.00 -1.26 -4.35 116.66 106.82 2dnx n ARG 124 Ca 0.01 -0.42 -0.00 0.00 -0.01 0.00 0.00 57.85 57.42 2dnx n ARG 124 Cb 0.39 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 31.27 2dnx n ARG 124 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2dnx n SER 125 N -0.92 -6.59 0.00 0.55 7.64 -1.26 -5.02 113.62 108.02 2dnx n SER 125 Ca 0.01 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2dnx n SER 125 Cb 0.62 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 59.40 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 -1.58 -0.44 3.56 0.23 0.00 -1.26 -5.08 105.19 100.61 2dnx n GLY 126 Ca 0.00 0.59 -0.36 0.00 0.00 0.00 0.00 46.02 46.26 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 3.02 -0.13 1.61 0.04 -1.26 -4.37 135.00 133.91 2dnx s PRO 127 Ca 0.00 -0.40 -0.05 0.00 0.04 0.00 0.00 61.00 60.59 2dnx s PRO 127 Cb 0.00 -4.88 0.01 0.00 0.04 0.00 0.00 34.50 29.66 2dnx s PRO 127 CO 0.00 -2.66 0.10 0.45 0.04 0.00 0.00 177.00 174.94 2dnx n SER 128 N 11.26 -6.78 -0.40 6.66 2.88 -1.26 -4.74 113.62 121.24 2dnx n SER 128 Ca 0.28 0.55 0.05 0.00 -1.33 0.00 0.00 58.87 58.41 2dnx n SER 128 Cb 0.50 -2.48 -0.02 0.00 -0.75 0.00 0.00 64.21 61.45 2dnx n SER 128 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dnx n SER 129 N 0.93 -2.32 0.00 -3.46 2.88 -1.26 -5.29 113.62 105.10 2dnx n SER 129 Ca -0.01 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2dnx n SER 129 Cb 0.42 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 2dnx n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42