#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 5.75 -0.03 1.61 1.04 -1.26 -5.11 113.70 115.71 2dnx s SER 2 Ca 0.00 -0.06 -0.31 0.00 0.48 0.00 0.00 55.95 56.06 2dnx s SER 2 Cb 0.00 -1.57 0.12 0.00 0.10 0.00 0.00 66.02 64.67 2dnx s SER 2 CO 0.00 0.05 1.21 -0.94 0.98 0.00 0.00 173.24 174.54 2dnx s SER 3 N -3.26 -0.10 0.00 7.02 1.04 -1.26 -5.16 113.70 111.98 2dnx s SER 3 Ca 0.32 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2dnx s SER 3 Cb -0.10 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2dnx s SER 3 CO 0.25 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2dnx n GLY 4 N -0.40 2.42 2.86 7.32 0.00 -1.26 -5.16 105.19 110.97 2dnx n GLY 4 Ca -0.07 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 2dnx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dnx n SER 5 N 0.00 -1.26 -3.96 1.61 7.64 -1.26 -4.88 113.62 111.51 2dnx n SER 5 Ca 0.00 -1.64 -0.10 0.00 1.01 0.00 0.00 58.87 58.13 2dnx n SER 5 Cb 0.00 2.05 -0.06 0.00 -1.01 0.00 0.00 64.21 65.19 2dnx n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dnx s SER 6 N -2.83 0.06 -0.10 6.43 0.01 -1.26 -5.10 113.70 110.90 2dnx s SER 6 Ca 0.17 -1.08 -0.30 0.00 1.31 0.00 0.00 55.95 56.06 2dnx s SER 6 Cb -0.02 0.55 -0.02 0.00 0.21 0.00 0.00 66.02 66.74 2dnx s SER 6 CO 0.04 -1.10 1.18 -0.83 0.41 0.00 0.00 173.24 172.94 2dnx s GLY 7 N -3.07 1.99 0.07 3.44 0.00 -1.26 -4.80 107.32 103.70 2dnx s GLY 7 Ca 0.27 0.52 -0.27 0.00 0.00 0.00 0.00 44.72 45.23 2dnx s GLY 7 CO 0.11 2.24 1.13 1.20 0.00 0.00 0.00 173.10 177.78 2dnx s GLN 8 N 2.57 0.80 -0.12 2.90 -0.21 -1.26 -5.06 119.66 119.28 2dnx s GLN 8 Ca 0.54 -0.45 -0.30 0.00 0.02 0.00 0.00 55.36 55.17 2dnx s GLN 8 Cb -0.22 0.27 -0.07 0.00 1.00 0.00 0.00 33.01 33.98 2dnx s GLN 8 CO 0.18 -0.37 2.11 1.28 -2.12 0.00 0.00 175.29 176.38 2dnx n LEU 9 N -0.51 3.55 -3.76 2.90 4.32 -1.26 -3.01 117.00 119.24 2dnx n LEU 9 Ca -0.07 0.51 -0.24 0.00 -0.02 0.00 0.00 56.01 56.19 2dnx n LEU 9 Cb 0.62 -1.52 0.00 0.00 -1.62 0.00 0.00 43.42 40.90 2dnx n LEU 9 CO 0.13 -0.33 -0.23 0.54 -1.22 0.00 0.00 177.39 176.29 2dnx n ARG 10 N 8.16 -1.56 -2.17 3.23 1.74 -1.26 -4.90 116.66 119.91 2dnx n ARG 10 Ca 0.26 0.81 -0.32 0.00 -0.77 0.00 0.00 57.85 57.84 2dnx n ARG 10 Cb 0.41 -2.39 -0.01 0.00 -1.02 0.00 0.00 32.46 29.46 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 -2.91 6.27 0.28 0.55 -1.08 -1.16 -4.67 116.67 113.94 2dnx s ASP 11 Ca 0.02 1.61 -0.03 0.00 -0.52 0.00 0.00 52.55 53.63 2dnx s ASP 11 Cb -0.00 -2.51 0.59 0.00 -1.46 0.00 0.00 42.92 39.54 2dnx s ASP 11 CO 0.89 -0.83 1.59 0.15 0.52 0.00 0.00 175.17 177.48 2dnx h PHE 12 N 0.48 -0.16 -0.29 -5.34 3.04 -1.90 1.61 116.94 114.38 2dnx h PHE 12 Ca -0.46 0.07 -0.10 0.00 3.98 0.00 0.00 57.97 61.46 2dnx h PHE 12 Cb 1.20 0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.91 2dnx h PHE 12 CO 0.63 -0.38 -0.25 1.03 -2.02 0.00 0.00 178.31 177.32 2dnx h SER 13 N 0.03 0.58 0.02 0.41 0.87 -1.91 0.48 113.55 114.03 2dnx h SER 13 Ca 0.52 -0.20 -0.13 0.00 -1.23 0.00 0.00 61.79 60.74 2dnx h SER 13 Cb 0.97 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2dnx h SER 13 CO -0.87 0.82 -0.41 0.28 -0.53 0.00 0.00 176.83 176.11 2dnx h SER 14 N 0.50 0.53 0.01 6.23 0.02 0.14 -1.31 113.55 119.68 2dnx h SER 14 Ca 0.07 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 2dnx h SER 14 Cb 0.70 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.10 2dnx h SER 14 CO 0.05 0.88 -0.26 0.40 -1.14 0.00 0.00 176.83 176.76 2dnx h ILE 15 N 0.41 1.58 0.10 3.27 2.04 0.16 -3.07 117.51 121.99 2dnx h ILE 15 Ca 0.03 -2.04 -0.00 0.00 1.00 0.00 0.00 64.86 63.85 2dnx h ILE 15 Cb 0.90 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.85 2dnx h ILE 15 CO 0.08 0.56 -0.16 0.40 0.00 0.00 0.00 178.15 179.02 2dnx h ILE 16 N -0.56 0.00 -0.90 -0.67 2.04 -0.03 0.42 117.51 117.82 2dnx h ILE 16 Ca -0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.96 2dnx h ILE 16 Cb 1.06 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.99 2dnx h ILE 16 CO 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.86 2dnx n GLN 17 N -3.33 -0.21 -0.02 2.37 6.02 -0.50 0.93 117.38 122.64 2dnx n GLN 17 Ca -0.03 1.38 -0.09 0.00 -0.01 0.00 0.00 57.00 58.25 2dnx n GLN 17 Cb 0.14 -2.05 -0.04 0.00 1.02 0.00 0.00 30.24 29.31 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 0.85 -0.27 5.09 2.02 -1.35 -2.24 112.91 117.01 2dnx h THR 18 Ca 0.32 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.56 2dnx h THR 18 Cb 0.54 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 2dnx h THR 18 CO -0.89 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 174.75 2dnx h SER 20 N -0.24 -0.73 -0.51 0.00 0.87 0.19 0.11 113.55 113.23 2dnx h SER 20 Ca 0.15 0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.86 2dnx h SER 20 Cb 0.47 0.31 -0.07 0.00 -0.44 0.00 0.00 62.40 62.67 2dnx h SER 20 CO -0.41 -0.12 -0.39 1.23 -0.53 0.00 0.00 176.83 176.61 2dnx h GLY 21 N -0.08 -1.40 -0.88 5.77 0.00 -0.92 0.05 103.07 105.62 2dnx h GLY 21 Ca 0.04 0.85 0.09 0.00 0.00 0.00 0.00 47.33 48.31 2dnx h GLY 21 CO -0.28 -0.31 -0.57 3.43 0.00 0.00 0.00 176.54 178.82 2dnx h ASN 22 N -0.11 -2.05 -0.44 0.19 4.21 -0.54 0.93 115.58 117.77 2dnx h ASN 22 Ca 0.08 0.31 0.05 0.00 1.21 0.00 0.00 56.30 57.95 2dnx h ASN 22 Cb 0.33 0.90 -0.07 0.00 -1.12 0.00 0.00 38.32 38.36 2dnx h ASN 22 CO -0.54 -0.27 -0.42 0.40 -1.29 0.00 0.00 177.43 175.31 2dnx h ILE 23 N -0.08 0.00 -0.61 2.81 2.04 0.80 0.14 117.51 122.61 2dnx h ILE 23 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 2dnx h ILE 23 Cb 0.46 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.46 2dnx h ILE 23 CO -0.88 0.00 -0.46 1.56 0.00 0.00 0.00 178.15 178.37 2dnx h GLN 24 N -0.21 -0.12 -0.59 2.37 1.08 0.88 0.11 115.11 118.63 2dnx h GLN 24 Ca 0.07 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.36 2dnx h GLN 24 Cb 0.40 0.03 -0.10 0.00 -0.05 0.00 0.00 27.48 27.76 2dnx h GLN 24 CO -0.52 -0.08 -0.47 0.00 -0.95 0.00 0.00 178.83 176.81 2dnx h ARG 25 N -0.13 -0.23 -0.73 1.46 -0.00 0.17 1.23 114.38 116.15 2dnx h ARG 25 Ca 0.10 0.02 0.10 0.00 -0.50 0.00 0.00 59.98 59.70 2dnx h ARG 25 Cb 0.39 0.05 -0.12 0.00 0.00 0.00 0.00 29.97 30.29 2dnx h ARG 25 CO -0.64 -0.15 -0.44 0.82 0.00 0.00 0.00 179.97 179.56 2dnx h ILE 26 N -0.24 0.06 -0.44 2.04 2.04 0.11 1.20 117.51 122.28 2dnx h ILE 26 Ca 0.16 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.98 2dnx h ILE 26 Cb 0.56 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2dnx h ILE 26 CO -0.70 0.00 0.10 -1.28 0.00 0.00 0.00 178.15 176.28 2dnx h SER 27 N -0.14 0.60 0.18 1.72 0.87 0.68 -0.04 113.55 117.43 2dnx h SER 27 Ca 0.22 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2dnx h SER 27 Cb 0.55 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2dnx h SER 27 CO -0.79 0.61 -0.09 1.56 -0.53 0.00 0.00 176.83 177.59 2dnx h GLN 28 N 0.64 -0.24 -1.01 2.24 4.20 0.85 0.20 115.11 121.99 2dnx h GLN 28 Ca 0.14 0.02 0.24 0.00 0.06 0.00 0.00 58.65 59.11 2dnx h GLN 28 Cb 0.25 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 27.97 2dnx h GLN 28 CO -0.00 -0.16 0.62 0.00 -0.67 0.00 0.00 178.83 178.62 2dnx h ALA 29 N -1.85 1.88 0.00 3.87 0.00 0.10 1.44 119.26 124.70 2dnx h ALA 29 Ca -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2dnx h ALA 29 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dnx h ALA 29 CO 0.04 -0.32 -0.16 1.15 0.00 0.00 0.00 179.25 179.96 2dnx h THR 30 N 0.57 0.88 -0.05 0.00 2.02 -0.89 -0.58 112.91 114.87 2dnx h THR 30 Ca 0.62 -0.61 -0.23 0.00 0.77 0.00 0.00 66.41 66.96 2dnx h THR 30 Cb 1.23 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 69.00 2dnx h THR 30 CO -0.42 0.16 -0.89 0.00 0.37 0.00 0.00 175.52 174.75 2dnx h ALA 31 N 1.84 0.34 -0.45 6.16 0.00 0.41 -2.90 119.26 124.66 2dnx h ALA 31 Ca -0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 2dnx h ALA 31 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dnx h ALA 31 CO 0.02 0.75 -0.20 1.96 0.00 0.00 0.00 179.25 181.77 2dnx h GLN 32 N 0.35 0.94 -0.80 0.00 1.08 -0.39 0.08 115.11 116.37 2dnx h GLN 32 Ca -0.08 -0.40 0.05 0.00 -1.45 0.00 0.00 58.65 56.77 2dnx h GLN 32 Cb 1.51 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 28.87 2dnx h GLN 32 CO 0.17 1.07 0.52 0.82 -0.95 0.00 0.00 178.83 180.46 2dnx h ILE 33 N 0.78 1.09 0.00 2.54 2.04 -1.14 2.11 117.51 124.92 2dnx h ILE 33 Ca 0.10 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2dnx h ILE 33 Cb 0.78 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2dnx h ILE 33 CO 0.06 0.17 -0.34 0.11 0.00 0.00 0.00 178.15 178.16 2dnx h LYS 34 N 0.94 0.00 0.20 2.37 1.57 -1.27 -0.57 116.57 119.80 2dnx h LYS 34 Ca 0.33 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.78 2dnx h LYS 34 Cb 0.12 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.45 2dnx h LYS 34 CO -0.10 0.34 -1.58 -0.97 -0.57 0.00 0.00 179.45 176.56 2dnx h ASN 35 N 0.00 0.65 1.40 0.86 -1.24 0.13 -3.25 115.58 114.13 2dnx h ASN 35 Ca -0.00 -0.82 0.00 0.00 0.71 0.00 0.00 56.30 56.19 2dnx h ASN 35 Cb 1.21 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.05 2dnx h ASN 35 CO 0.04 1.67 -0.01 0.18 -1.29 0.00 0.00 177.43 178.02 2dnx n LEU 36 N -3.61 0.71 0.17 0.34 4.77 0.69 -3.55 117.00 116.52 2dnx n LEU 36 Ca -0.19 0.56 -0.14 0.00 -0.03 0.00 0.00 56.01 56.21 2dnx n LEU 36 Cb 1.08 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.75 2dnx n LEU 36 CO 0.55 -0.16 0.58 -0.03 -1.33 0.00 0.00 177.39 177.01 2dnx h MET 37 N 0.00 -0.43 -0.55 3.23 4.05 -1.13 -2.87 114.93 117.23 2dnx h MET 37 Ca 0.00 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.47 2dnx h MET 37 Cb 0.71 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.57 2dnx h MET 37 CO 0.00 -0.13 0.34 1.03 0.23 0.00 0.00 176.91 178.37 2dnx h SER 38 N -0.72 0.55 -0.13 1.39 0.87 -1.64 0.81 113.55 114.69 2dnx h SER 38 Ca -0.05 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2dnx h SER 38 Cb 0.49 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 2dnx h SER 38 CO 0.07 0.39 -0.12 1.56 -0.53 0.00 0.00 176.83 178.21 2dnx h GLN 39 N 0.67 -0.05 0.00 2.24 4.20 -1.59 0.55 115.11 121.13 2dnx h GLN 39 Ca 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 2dnx h GLN 39 Cb 0.01 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 2dnx h GLN 39 CO -0.09 -0.03 -0.04 1.37 -0.67 0.00 0.00 178.83 179.37 2dnx h LEU 40 N -0.05 0.00 -3.71 1.46 8.10 -1.41 -2.47 115.31 117.22 2dnx h LEU 40 Ca 0.02 0.00 -0.30 0.00 0.11 0.00 0.00 57.88 57.71 2dnx h LEU 40 Cb 0.11 0.00 -0.12 0.00 -0.44 0.00 0.00 40.66 40.21 2dnx h LEU 40 CO -0.15 0.04 0.25 0.61 -4.11 0.00 0.00 178.44 175.08 2dnx n GLY 41 N -0.98 3.78 2.00 0.17 0.00 0.19 -3.82 105.19 106.53 2dnx n GLY 41 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2dnx n GLY 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dnx n THR 42 N 0.91 0.00 -3.47 2.61 -1.04 -0.93 -4.85 114.28 107.51 2dnx n THR 42 Ca 0.31 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 2dnx n THR 42 Cb 0.60 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 2dnx n THR 42 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2dnx n LYS 43 N -2.52 1.95 -3.28 -2.82 4.81 -1.25 -5.09 118.16 109.95 2dnx n LYS 43 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 2dnx n LYS 43 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 2dnx n LYS 43 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2dnx n GLN 44 N -0.31 1.32 0.00 1.64 7.27 -1.26 -4.91 117.38 121.13 2dnx n GLN 44 Ca 0.00 -3.72 0.00 0.00 0.07 0.00 0.00 57.00 53.35 2dnx n GLN 44 Cb 0.00 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 31.06 2dnx n GLN 44 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2dnx n ASP 45 N 1.26 0.00 -2.97 1.69 2.03 -1.26 -5.12 116.55 112.18 2dnx n ASP 45 Ca 0.24 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.58 2dnx n ASP 45 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2dnx n ASP 45 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2dnx s SER 46 N 0.00 -0.72 0.00 1.67 0.01 -1.26 -5.02 113.70 108.38 2dnx s SER 46 Ca 0.00 -0.24 0.06 0.00 1.31 0.00 0.00 55.95 57.09 2dnx s SER 46 Cb 0.00 1.06 -0.24 0.00 0.21 0.00 0.00 66.02 67.06 2dnx s SER 46 CO 0.00 -0.09 0.83 -1.28 0.41 0.00 0.00 173.24 173.11 2dnx h SER 47 N 6.34 0.12 -0.98 2.44 0.87 -2.00 -3.21 113.55 117.13 2dnx h SER 47 Ca -0.03 -0.19 0.19 0.00 -1.23 0.00 0.00 61.79 60.54 2dnx h SER 47 Cb 1.21 -0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 63.04 2dnx h SER 47 CO -0.02 1.16 0.61 0.50 -0.53 0.00 0.00 176.83 178.55 2dnx h LYS 48 N 0.02 0.66 0.23 2.24 1.63 -1.99 0.16 116.57 119.52 2dnx h LYS 48 Ca -0.22 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.53 2dnx h LYS 48 Cb 1.96 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.44 2dnx h LYS 48 CO 0.11 0.44 -0.11 -0.07 -3.45 0.00 0.00 179.45 176.37 2dnx h LEU 49 N 0.68 -0.26 -0.94 5.20 3.38 -1.96 -0.99 115.31 120.42 2dnx h LEU 49 Ca 0.54 0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.88 2dnx h LEU 49 Cb 0.95 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.60 2dnx h LEU 49 CO -0.31 0.06 0.39 0.00 0.09 0.00 0.00 178.44 178.68 2dnx n GLN 50 N -4.22 -0.06 -0.03 1.13 6.02 -0.94 0.21 117.38 119.49 2dnx n GLN 50 Ca -0.04 1.32 -0.16 0.00 -0.01 0.00 0.00 57.00 58.11 2dnx n GLN 50 Cb 0.12 -2.30 -0.08 0.00 1.02 0.00 0.00 30.24 29.00 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 0.56 -0.06 -1.09 4.39 -0.74 -3.16 114.58 114.48 2dnx h GLU 51 Ca 0.74 -0.45 0.03 0.00 0.34 0.00 0.00 59.36 60.03 2dnx h GLU 51 Cb 1.89 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 30.60 2dnx h GLU 51 CO -0.76 1.07 -0.15 -0.97 -1.16 0.00 0.00 179.01 177.05 2dnx h ASN 52 N 0.19 -0.44 0.00 1.42 -0.73 0.39 -1.60 115.58 114.80 2dnx h ASN 52 Ca -0.03 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.21 2dnx h ASN 52 Cb 1.16 0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.95 2dnx h ASN 52 CO 0.11 -0.20 0.00 0.18 -0.37 0.00 0.00 177.43 177.15 2dnx n LEU 53 N -5.28 0.00 -0.16 0.34 4.77 0.11 0.33 117.00 117.10 2dnx n LEU 53 Ca -0.04 0.99 -0.05 0.00 -0.03 0.00 0.00 56.01 56.88 2dnx n LEU 53 Cb 0.20 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 2dnx n LEU 53 CO 0.24 -0.49 0.49 1.56 -1.33 0.00 0.00 177.39 177.86 2dnx h GLN 54 N 0.00 -0.02 -0.95 3.23 1.08 -1.49 0.35 115.11 117.31 2dnx h GLN 54 Ca 0.00 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.38 2dnx h GLN 54 Cb 0.00 0.01 -0.17 0.00 -0.05 0.00 0.00 27.48 27.26 2dnx h GLN 54 CO 0.00 -0.02 -0.29 1.96 -0.95 0.00 0.00 178.83 179.54 2dnx h GLN 55 N -0.03 -0.01 0.32 1.46 1.08 -0.75 0.34 115.11 117.53 2dnx h GLN 55 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2dnx h GLN 55 Cb 0.19 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 2dnx h GLN 55 CO -0.39 -0.01 -0.39 -0.07 -0.95 0.00 0.00 178.83 177.02 2dnx h LEU 56 N -0.01 -1.09 -0.08 1.46 3.38 0.32 0.28 115.31 119.56 2dnx h LEU 56 Ca 0.42 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.50 2dnx h LEU 56 Cb 0.66 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2dnx h LEU 56 CO -0.97 -0.52 -0.23 1.56 0.09 0.00 0.00 178.44 178.36 2dnx h GLN 57 N -0.76 -0.23 -0.64 1.13 4.20 0.31 0.14 115.11 119.26 2dnx h GLN 57 Ca -0.02 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.82 2dnx h GLN 57 Cb 0.70 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 28.42 2dnx h GLN 57 CO -0.11 -0.15 -0.35 1.25 -0.67 0.00 0.00 178.83 178.80 2dnx h HIS 58 N -0.24 -0.98 -0.70 2.96 2.76 -0.51 1.35 115.15 119.80 2dnx h HIS 58 Ca 0.02 0.08 0.14 0.00 -2.20 0.00 0.00 60.37 58.41 2dnx h HIS 58 Cb 0.28 0.52 -0.13 0.00 1.55 0.00 0.00 27.41 29.64 2dnx h HIS 58 CO -0.53 -0.39 -0.16 1.03 -1.30 0.00 0.00 177.93 176.58 2dnx h SER 59 N -0.15 -0.62 0.07 3.26 0.87 0.38 0.44 113.55 117.80 2dnx h SER 59 Ca 0.24 0.21 -0.14 0.00 -1.23 0.00 0.00 61.79 60.87 2dnx h SER 59 Cb 0.56 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 2dnx h SER 59 CO -0.72 -0.22 -0.47 0.74 -0.53 0.00 0.00 176.83 175.63 2dnx h THR 60 N 0.01 1.32 -0.03 2.23 2.02 0.23 -2.88 112.91 115.80 2dnx h THR 60 Ca 0.34 -1.68 0.03 0.00 0.77 0.00 0.00 66.41 65.87 2dnx h THR 60 Cb 0.53 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 2dnx h THR 60 CO -0.71 0.52 -0.39 -1.13 0.37 0.00 0.00 175.52 174.18 2dnx h ASN 61 N 0.38 -1.20 0.40 4.18 -1.24 0.61 0.11 115.58 118.82 2dnx h ASN 61 Ca 0.02 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.17 2dnx h ASN 61 Cb 0.97 0.48 -0.02 0.00 0.73 0.00 0.00 38.32 40.48 2dnx h ASN 61 CO 0.09 -0.43 -0.39 1.56 -1.29 0.00 0.00 177.43 176.97 2dnx h GLN 62 N -0.53 -0.76 -0.82 6.67 1.08 -1.06 -1.73 115.11 117.97 2dnx h GLN 62 Ca 0.06 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.38 2dnx h GLN 62 Cb 0.62 0.17 -0.10 0.00 -0.05 0.00 0.00 27.48 28.13 2dnx h GLN 62 CO -0.32 -0.50 -0.49 1.28 -0.95 0.00 0.00 178.83 177.85 2dnx n LEU 63 N -4.75 -0.87 -0.29 1.46 4.77 -1.08 0.33 117.00 116.56 2dnx n LEU 63 Ca -0.09 1.57 -0.09 0.00 -0.03 0.00 0.00 56.01 57.37 2dnx n LEU 63 Cb 0.36 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 2dnx n LEU 63 CO 0.21 -1.25 0.54 0.00 -1.33 0.00 0.00 177.39 175.56 2dnx h ALA 64 N 0.31 -0.36 -0.85 -1.18 0.00 -0.58 0.61 119.26 117.20 2dnx h ALA 64 Ca 0.13 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.30 2dnx h ALA 64 Cb 0.34 1.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.10 2dnx h ALA 64 CO -0.77 -0.86 -0.40 0.87 0.00 0.00 0.00 179.25 178.08 2dnx h LYS 65 N -0.14 -0.07 -0.40 0.00 1.57 0.81 0.58 116.57 118.92 2dnx h LYS 65 Ca 0.19 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2dnx h LYS 65 Cb 0.53 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2dnx h LYS 65 CO -0.80 -0.04 0.25 0.93 -0.57 0.00 0.00 179.45 179.21 2dnx h GLU 66 N -0.07 0.49 -0.07 3.15 5.08 0.78 -1.13 114.58 122.81 2dnx h GLU 66 Ca 0.28 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 2dnx h GLU 66 Cb 0.57 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 2dnx h GLU 66 CO -0.87 0.32 -0.42 1.15 -1.00 0.00 0.00 179.01 178.19 2dnx h THR 67 N 0.51 0.15 -0.85 1.13 2.02 0.49 0.67 112.91 117.03 2dnx h THR 67 Ca 0.15 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.44 2dnx h THR 67 Cb -0.03 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 66.45 2dnx h THR 67 CO -0.05 0.00 0.48 -1.13 0.37 0.00 0.00 175.52 175.19 2dnx h ASN 68 N -0.53 0.66 -0.52 4.18 -0.73 -0.22 0.63 115.58 119.04 2dnx h ASN 68 Ca 0.06 0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 2dnx h ASN 68 Cb 0.64 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.14 2dnx h ASN 68 CO -0.36 0.35 0.31 -0.33 -0.37 0.00 0.00 177.43 177.03 2dnx h GLU 69 N 0.76 0.71 0.02 6.67 4.39 0.24 -1.57 114.58 125.80 2dnx h GLU 69 Ca 0.43 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.06 2dnx h GLU 69 Cb 0.46 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2dnx h GLU 69 CO -0.28 0.52 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.01 2dnx h LEU 70 N 0.70 -0.02 -1.86 1.33 3.38 0.20 0.03 115.31 119.07 2dnx h LEU 70 Ca 0.19 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.92 2dnx h LEU 70 Cb -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2dnx h LEU 70 CO -0.03 0.27 0.43 -0.07 0.09 0.00 0.00 178.44 179.13 2dnx h LEU 71 N -0.32 0.00 0.16 1.67 3.38 0.41 1.27 115.31 121.89 2dnx h LEU 71 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2dnx h LEU 71 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2dnx h LEU 71 CO 0.00 0.00 -1.85 0.11 0.09 0.00 0.00 178.44 176.80 2dnx h LYS 72 N 0.00 0.34 0.00 1.13 1.57 -0.53 -3.33 116.57 115.75 2dnx h LYS 72 Ca 0.08 -0.58 -0.05 0.00 -1.87 0.00 0.00 60.65 58.22 2dnx h LYS 72 Cb 0.93 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2dnx h LYS 72 CO -0.00 1.28 -0.24 1.05 -0.57 0.00 0.00 179.45 180.96 2dnx h GLU 73 N 0.08 0.00 0.07 3.15 4.11 0.20 -2.79 114.58 119.41 2dnx h GLU 73 Ca -0.38 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.05 2dnx h GLU 73 Cb 2.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.31 2dnx h GLU 73 CO 0.14 0.24 -0.03 1.25 0.07 0.00 0.00 179.01 180.68 2dnx h LEU 74 N 0.00 -0.08 -2.04 3.06 6.46 0.12 -2.60 115.31 120.22 2dnx h LEU 74 Ca -0.00 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 57.88 2dnx h LEU 74 Cb 0.84 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 2dnx h LEU 74 CO 0.03 -0.06 0.32 1.23 -0.62 0.00 0.00 178.44 179.35 2dnx h GLY 75 N -0.10 0.00 0.50 3.75 0.00 -1.67 -0.08 103.07 105.47 2dnx h GLY 75 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.42 2dnx h GLY 75 CO 0.02 0.00 0.51 0.23 0.00 0.00 0.00 176.54 177.30 2dnx h SER 76 N 0.00 0.74 -2.34 0.19 0.87 -1.22 -3.43 113.55 108.36 2dnx h SER 76 Ca 0.19 0.05 -0.56 0.00 -1.23 0.00 0.00 61.79 60.24 2dnx h SER 76 Cb 0.83 -0.09 0.22 0.00 -0.44 0.00 0.00 62.40 62.91 2dnx h SER 76 CO -0.00 0.41 -1.38 0.18 -0.53 0.00 0.00 176.83 175.50 2dnx n LEU 77 N -4.71 -4.00 -4.78 2.23 4.77 -0.05 -4.94 117.00 105.52 2dnx n LEU 77 Ca 0.15 0.34 -0.29 0.00 -0.03 0.00 0.00 56.01 56.18 2dnx n LEU 77 Cb 0.30 -0.89 0.17 0.00 -2.33 0.00 0.00 43.42 40.68 2dnx n LEU 77 CO 0.27 -5.14 0.73 -2.16 -1.33 0.00 0.00 177.39 169.76 2dnx s PRO 78 N -2.13 0.44 0.07 3.23 0.04 -1.26 -5.07 135.00 130.32 2dnx s PRO 78 Ca 0.48 0.02 0.08 0.00 0.04 0.00 0.00 61.00 61.62 2dnx s PRO 78 Cb -0.26 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2dnx s PRO 78 CO 0.75 -2.62 -0.18 -0.51 0.04 0.00 0.00 177.00 174.48 2dnx s LEU 79 N -6.22 2.63 0.35 -3.56 1.43 -1.26 -5.11 118.68 106.94 2dnx s LEU 79 Ca 0.68 -0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 53.04 2dnx s LEU 79 Cb -0.11 -1.52 -0.09 0.00 0.03 0.00 0.00 46.19 44.50 2dnx s LEU 79 CO 0.54 0.23 1.06 -2.16 0.23 0.00 0.00 176.35 176.25 2dnx s PRO 80 N -1.69 4.37 0.58 1.29 0.04 -1.26 -4.89 135.00 133.44 2dnx s PRO 80 Ca 0.16 1.62 0.30 0.00 0.04 0.00 0.00 61.00 63.12 2dnx s PRO 80 Cb -0.10 -2.81 1.39 0.00 0.04 0.00 0.00 34.50 33.02 2dnx s PRO 80 CO 0.07 0.01 1.77 -0.07 0.04 0.00 0.00 177.00 178.82 2dnx h LEU 81 N 3.05 0.00 -9.89 -3.56 4.07 -2.02 -3.39 115.31 103.57 2dnx h LEU 81 Ca -0.48 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 56.92 2dnx h LEU 81 Cb 1.21 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.92 2dnx h LEU 81 CO 0.64 0.00 -0.16 -0.44 -1.08 0.00 0.00 178.44 177.40 2dnx s SER 82 N -4.88 6.68 -0.04 -0.43 0.01 -1.26 -5.01 113.70 108.77 2dnx s SER 82 Ca -0.04 0.91 -0.18 0.00 1.31 0.00 0.00 55.95 57.95 2dnx s SER 82 Cb 0.17 -2.22 -0.31 0.00 0.21 0.00 0.00 66.02 63.87 2dnx s SER 82 CO 0.59 0.06 0.80 0.74 0.41 0.00 0.00 173.24 175.84 2dnx h THR 83 N 2.49 1.27 -0.99 1.44 2.02 -2.00 -3.10 112.91 114.03 2dnx h THR 83 Ca -0.48 -2.54 0.37 0.00 0.77 0.00 0.00 66.41 64.53 2dnx h THR 83 Cb 1.18 2.99 -0.17 0.00 -1.74 0.00 0.00 68.15 70.41 2dnx h THR 83 CO 0.68 0.75 0.43 -1.28 0.37 0.00 0.00 175.52 176.47 2dnx h SER 84 N -0.18 0.18 0.24 4.18 0.87 -1.94 1.36 113.55 118.27 2dnx h SER 84 Ca -0.24 0.25 -0.28 0.00 -1.23 0.00 0.00 61.79 60.29 2dnx h SER 84 Cb 1.85 0.29 0.02 0.00 -0.44 0.00 0.00 62.40 64.12 2dnx h SER 84 CO 0.16 -0.36 -1.19 -0.33 -0.53 0.00 0.00 176.83 174.58 2dnx h GLU 85 N 0.06 0.53 -0.81 2.24 4.39 -1.93 -2.98 114.58 116.08 2dnx h GLU 85 Ca 0.77 -0.71 0.18 0.00 0.34 0.00 0.00 59.36 59.94 2dnx h GLU 85 Cb 1.91 0.23 -0.11 0.00 -0.10 0.00 0.00 28.75 30.68 2dnx h GLU 85 CO -0.77 1.30 0.29 1.96 -1.16 0.00 0.00 179.01 180.63 2dnx h GLN 86 N 0.24 0.35 0.30 2.33 4.20 0.18 0.25 115.11 122.96 2dnx h GLN 86 Ca -0.16 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 2dnx h GLN 86 Cb 1.86 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.56 2dnx h GLN 86 CO 0.22 0.23 -0.15 0.00 -0.67 0.00 0.00 178.83 178.47 2dnx h ARG 87 N 0.36 -0.39 -1.78 1.46 2.47 -1.20 -1.15 114.38 114.15 2dnx h ARG 87 Ca 0.47 0.03 0.51 0.00 -1.26 0.00 0.00 59.98 59.73 2dnx h ARG 87 Cb 0.83 0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 29.16 2dnx h ARG 87 CO -0.50 -0.26 1.29 1.96 0.56 0.00 0.00 179.97 183.02 2dnx h GLN 88 N -0.67 0.00 0.00 0.04 4.20 -1.31 1.40 115.11 118.77 2dnx h GLN 88 Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2dnx h GLN 88 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2dnx h GLN 88 CO 0.07 0.00 -0.00 1.96 -0.67 0.00 0.00 178.83 180.19 2dnx h GLN 89 N 0.00 -0.01 -0.92 1.46 4.20 -0.44 -3.02 115.11 116.39 2dnx h GLN 89 Ca 0.84 0.00 0.20 0.00 0.06 0.00 0.00 58.65 59.76 2dnx h GLN 89 Cb 3.41 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 31.12 2dnx h GLN 89 CO -0.01 -0.00 0.60 0.07 -0.67 0.00 0.00 178.83 178.82 2dnx h ARG 90 N -0.02 0.43 -0.27 1.46 0.11 0.15 0.75 114.38 116.99 2dnx h ARG 90 Ca -0.00 -0.03 0.01 0.00 0.10 0.00 0.00 59.98 60.06 2dnx h ARG 90 Cb 0.00 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 30.97 2dnx h ARG 90 CO 0.00 0.29 0.18 -0.07 0.10 0.00 0.00 179.97 180.47 2dnx h LEU 91 N 0.45 0.29 0.18 0.08 3.38 0.17 1.35 115.31 121.20 2dnx h LEU 91 Ca 0.48 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 2dnx h LEU 91 Cb 1.15 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2dnx h LEU 91 CO -0.20 0.21 -0.08 1.56 0.09 0.00 0.00 178.44 180.01 2dnx h GLN 92 N 0.34 -0.23 -0.91 1.13 1.08 0.62 -2.96 115.11 114.18 2dnx h GLN 92 Ca 0.10 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.38 2dnx h GLN 92 Cb -0.00 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.42 2dnx h GLN 92 CO -0.02 -0.11 0.59 1.57 -0.95 0.00 0.00 178.83 179.91 2dnx h LYS 93 N -1.06 1.01 -0.28 1.46 2.10 -1.12 -1.53 116.57 117.16 2dnx h LYS 93 Ca -0.02 -0.06 0.06 0.00 -2.00 0.00 0.00 60.65 58.63 2dnx h LYS 93 Cb 0.22 -0.23 -0.06 0.00 -0.90 0.00 0.00 32.23 31.26 2dnx h LYS 93 CO 0.04 0.67 -0.14 0.93 -2.00 0.00 0.00 179.45 178.95 2dnx h GLU 94 N 1.04 -0.09 -0.70 0.07 4.39 0.17 -0.20 114.58 119.25 2dnx h GLU 94 Ca 0.39 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.08 2dnx h GLU 94 Cb 0.20 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2dnx h GLU 94 CO -0.15 -0.06 0.34 0.00 -1.16 0.00 0.00 179.01 177.98 2dnx h ARG 95 N -0.10 0.98 -0.44 2.33 2.47 -1.16 -2.24 114.38 116.23 2dnx h ARG 95 Ca 0.15 -0.13 0.05 0.00 -1.26 0.00 0.00 59.98 58.79 2dnx h ARG 95 Cb 0.32 -0.19 -0.05 0.00 -1.65 0.00 0.00 29.97 28.41 2dnx h ARG 95 CO -0.34 0.75 0.16 -0.07 0.56 0.00 0.00 179.97 181.04 2dnx h LEU 96 N 0.98 0.18 0.17 3.04 3.38 -0.17 0.95 115.31 123.85 2dnx h LEU 96 Ca 0.24 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.27 2dnx h LEU 96 Cb 0.09 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2dnx h LEU 96 CO -0.03 0.14 -0.19 0.24 0.09 0.00 0.00 178.44 178.69 2dnx h MET 97 N 0.34 -0.39 0.81 1.13 2.86 -0.54 0.96 114.93 120.11 2dnx h MET 97 Ca 0.20 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.83 2dnx h MET 97 Cb 0.19 0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.94 2dnx h MET 97 CO -0.20 -0.26 -0.39 -0.91 1.06 0.00 0.00 176.91 176.21 2dnx h ASN 98 N -0.40 -0.92 -0.98 1.22 2.35 -0.99 -0.83 115.58 115.02 2dnx h ASN 98 Ca 0.01 0.03 0.16 0.00 -0.55 0.00 0.00 56.30 55.95 2dnx h ASN 98 Cb 0.38 0.24 -0.16 0.00 0.05 0.00 0.00 38.32 38.83 2dnx h ASN 98 CO -0.06 -0.62 -0.36 0.47 -1.65 0.00 0.00 177.43 175.22 2dnx n ASP 99 N -5.19 -0.59 0.20 5.81 8.00 0.33 -0.24 116.55 124.87 2dnx n ASP 99 Ca -0.14 1.71 -0.16 0.00 0.71 0.00 0.00 54.79 56.92 2dnx n ASP 99 Cb 0.43 -0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 41.03 2dnx n ASP 99 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2dnx h PHE 100 N 0.00 -1.20 -0.02 1.24 3.57 -0.68 -2.55 116.94 117.30 2dnx h PHE 100 Ca 0.36 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.88 2dnx h PHE 100 Cb 0.61 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 2dnx h PHE 100 CO -0.85 -0.57 -0.01 1.03 -2.23 0.00 0.00 178.31 175.68 2dnx h SER 101 N -0.80 -0.05 -0.79 0.41 0.87 0.89 2.49 113.55 116.57 2dnx h SER 101 Ca -0.02 0.01 0.29 0.00 -1.23 0.00 0.00 61.79 60.84 2dnx h SER 101 Cb 0.74 0.02 -0.14 0.00 -0.44 0.00 0.00 62.40 62.58 2dnx h SER 101 CO -0.14 -0.01 0.28 0.00 -0.53 0.00 0.00 176.83 176.44 2dnx n ALA 102 N -2.94 0.67 -0.03 6.23 0.00 -0.50 0.29 120.51 124.24 2dnx n ALA 102 Ca 0.00 0.83 -0.13 0.00 0.00 0.00 0.00 53.44 54.14 2dnx n ALA 102 Cb 0.01 -0.74 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 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 1.59 -0.02 0.46 0.00 0.00 0.73 -2.83 119.26 119.19 2dnx h ALA 103 Ca 0.61 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2dnx h ALA 103 Cb 1.50 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2dnx h ALA 103 CO -0.66 -0.14 -0.34 1.25 0.00 0.00 0.00 179.25 179.37 2dnx h LEU 104 N -0.78 -0.87 -0.88 0.00 7.12 1.54 -1.84 115.31 119.61 2dnx h LEU 104 Ca -0.00 0.06 0.22 0.00 0.13 0.00 0.00 57.88 58.29 2dnx h LEU 104 Cb 0.72 0.27 -0.15 0.00 -0.53 0.00 0.00 40.66 40.97 2dnx h LEU 104 CO 0.00 -0.51 0.06 -1.13 -0.13 0.00 0.00 178.44 176.74 2dnx h ASN 105 N -0.78 -0.33 -0.34 1.25 -0.73 0.43 0.86 115.58 115.93 2dnx h ASN 105 Ca -0.05 0.23 0.06 0.00 1.87 0.00 0.00 56.30 58.41 2dnx h ASN 105 Cb 0.66 0.39 -0.06 0.00 0.27 0.00 0.00 38.32 39.58 2dnx h ASN 105 CO 0.01 -0.24 -0.01 0.78 -0.37 0.00 0.00 177.43 177.60 2dnx h ASN 106 N 0.09 -0.17 -0.77 1.15 2.35 -1.12 0.15 115.58 117.27 2dnx h ASN 106 Ca 0.51 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 56.36 2dnx h ASN 106 Cb 1.00 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.48 2dnx h ASN 106 CO -0.77 -0.05 0.51 0.15 -1.65 0.00 0.00 177.43 175.62 2dnx h PHE 107 N 0.08 0.94 0.43 1.19 3.57 0.14 -1.33 116.94 121.95 2dnx h PHE 107 Ca 0.17 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2dnx h PHE 107 Cb 0.23 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2dnx h PHE 107 CO -0.25 0.58 -0.21 1.96 -2.23 0.00 0.00 178.31 178.16 2dnx h GLN 108 N 1.00 -0.55 -0.08 1.11 4.20 0.91 0.87 115.11 122.56 2dnx h GLN 108 Ca 0.29 0.04 0.02 0.00 0.06 0.00 0.00 58.65 59.06 2dnx h GLN 108 Cb -0.06 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2dnx h GLN 108 CO -0.07 -0.32 0.12 0.00 -0.67 0.00 0.00 178.83 177.88 2dnx h ALA 109 N -0.12 1.53 0.00 3.87 0.00 -0.73 0.40 119.26 124.21 2dnx h ALA 109 Ca -0.06 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 2dnx h ALA 109 Cb 0.49 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2dnx h ALA 109 CO 0.10 -0.16 -1.40 0.28 0.00 0.00 0.00 179.25 178.07 2dnx h VAL 110 N 0.00 1.15 -0.08 0.00 2.07 -0.35 -2.79 116.25 116.25 2dnx h VAL 110 Ca 0.04 -2.92 -0.18 0.00 0.82 0.00 0.00 66.70 64.46 2dnx h VAL 110 Cb 0.27 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2dnx h VAL 110 CO -0.00 0.66 -0.70 0.06 0.02 0.00 0.00 177.57 177.60 2dnx h GLN 111 N 0.00 0.36 0.00 1.57 3.07 0.47 0.15 115.11 120.74 2dnx h GLN 111 Ca -0.17 -0.29 -0.02 0.00 0.09 0.00 0.00 58.65 58.26 2dnx h GLN 111 Cb 1.89 0.06 -0.00 0.00 0.08 0.00 0.00 27.48 29.50 2dnx h GLN 111 CO 0.10 0.93 -0.18 0.07 0.09 0.00 0.00 178.83 179.84 2dnx h ARG 112 N 0.25 0.00 0.00 0.06 -0.00 -0.82 -2.82 114.38 111.04 2dnx h ARG 112 Ca -0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 59.98 59.68 2dnx h ARG 112 Cb 1.27 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.19 2dnx h ARG 112 CO 0.12 0.08 -1.60 0.00 -0.00 0.00 0.00 179.97 178.57 2dnx h ARG 113 N 0.00 0.00 0.18 0.08 3.08 -1.32 -3.22 114.38 113.17 2dnx h ARG 113 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2dnx h ARG 113 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2dnx h ARG 113 CO 0.01 0.53 -0.09 0.28 -1.07 0.00 0.00 179.97 179.64 2dnx h VAL 114 N 0.00 0.91 -0.50 2.04 2.07 -0.72 0.19 116.25 120.24 2dnx h VAL 114 Ca -0.24 -0.96 0.13 0.00 0.82 0.00 0.00 66.70 66.45 2dnx h VAL 114 Cb 1.95 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 2dnx h VAL 114 CO 0.08 0.20 0.35 0.28 0.02 0.00 0.00 177.57 178.50 2dnx h SER 115 N -0.75 0.09 0.58 0.57 0.02 -1.67 0.16 113.55 112.56 2dnx h SER 115 Ca -0.02 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.66 2dnx h SER 115 Cb 0.51 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.04 2dnx h SER 115 CO 0.04 0.05 -1.23 -0.08 -1.14 0.00 0.00 176.83 174.48 2dnx h GLU 116 N 0.10 0.30 -0.51 3.45 4.81 -1.54 -2.58 114.58 118.62 2dnx h GLU 116 Ca 0.24 -0.49 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 2dnx h GLU 116 Cb 0.81 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2dnx h GLU 116 CO -0.02 1.22 0.13 -0.22 -0.73 0.00 0.00 179.01 179.39 2dnx h LYS 117 N 0.09 0.81 0.00 1.92 1.63 0.20 -1.89 116.57 119.33 2dnx h LYS 117 Ca -0.14 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.45 2dnx h LYS 117 Cb 1.94 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 33.46 2dnx h LYS 117 CO 0.20 0.77 -0.14 0.93 -3.45 0.00 0.00 179.45 177.77 2dnx h GLU 118 N 0.70 0.00 0.38 1.90 4.39 -0.93 -3.03 114.58 117.99 2dnx h GLU 118 Ca 0.16 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 2dnx h GLU 118 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2dnx h GLU 118 CO 0.00 0.14 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.59 2dnx h LYS 119 N 0.00 -0.49 -0.81 2.33 3.64 -0.93 -2.97 116.57 117.34 2dnx h LYS 119 Ca -0.00 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.60 2dnx h LYS 119 Cb 0.66 0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 32.45 2dnx h LYS 119 CO 0.02 -0.33 -0.01 0.93 -2.27 0.00 0.00 179.45 177.79 2dnx h GLU 120 N -0.67 0.07 -0.63 1.90 5.08 -1.47 1.10 114.58 119.97 2dnx h GLU 120 Ca -0.05 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2dnx h GLU 120 Cb 0.39 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 2dnx h GLU 120 CO 0.09 0.05 -0.51 1.03 -1.00 0.00 0.00 179.01 178.66 2dnx h SER 121 N 0.08 -1.80 0.08 1.42 0.87 -1.53 -3.15 113.55 109.52 2dnx h SER 121 Ca 0.45 0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 61.26 2dnx h SER 121 Cb 0.81 0.77 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 2dnx h SER 121 CO -0.74 -0.28 -0.04 0.40 -0.53 0.00 0.00 176.83 175.64 2dnx h ILE 122 N -0.18 0.00 -1.76 2.23 5.03 -0.89 -3.45 117.51 118.48 2dnx h ILE 122 Ca 0.10 -0.25 -0.49 0.00 -0.12 0.00 0.00 64.86 64.11 2dnx h ILE 122 Cb 0.45 0.00 0.25 0.00 -3.03 0.00 0.00 36.82 34.48 2dnx h ILE 122 CO -0.68 0.00 -1.88 0.00 -0.68 0.00 0.00 178.15 174.91 2dnx n ALA 123 N -2.25 -4.95 -1.34 1.87 0.00 0.36 -4.67 120.51 109.54 2dnx n ALA 123 Ca -0.01 -1.24 -0.48 0.00 0.00 0.00 0.00 53.44 51.71 2dnx n ALA 123 Cb 0.04 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 0.44 0.00 -3.64 0.00 1.74 -1.26 -4.67 116.66 109.26 2dnx n ARG 124 Ca -0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.04 2dnx n ARG 124 Cb 0.67 -1.08 -0.06 0.00 -1.02 0.00 0.00 32.46 30.97 2dnx n ARG 124 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dnx s SER 125 N -0.64 -0.08 -0.03 0.55 0.15 -1.26 -4.77 113.70 107.62 2dnx s SER 125 Ca 0.68 0.12 -0.30 0.00 0.70 0.00 0.00 55.95 57.15 2dnx s SER 125 Cb -0.97 0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 63.40 2dnx s SER 125 CO 0.53 -0.04 1.46 -0.83 1.20 0.00 0.00 173.24 175.56 2dnx s GLY 126 N -0.41 1.72 1.09 9.45 0.00 -1.26 -5.01 107.32 112.91 2dnx s GLY 126 Ca 0.07 0.87 -0.18 0.00 0.00 0.00 0.00 44.72 45.48 2dnx s GLY 126 CO -0.12 2.67 1.23 2.56 0.00 0.00 0.00 173.10 179.44 2dnx s PRO 127 N 2.96 -0.39 -1.07 2.90 0.04 -1.26 -4.98 135.00 133.20 2dnx s PRO 127 Ca 0.66 -0.29 -0.08 0.00 0.04 0.00 0.00 61.00 61.33 2dnx s PRO 127 Cb -0.31 -1.71 0.27 0.00 0.04 0.00 0.00 34.50 32.78 2dnx s PRO 127 CO 0.26 -3.12 1.05 -1.12 0.04 0.00 0.00 177.00 174.11 2dnx s SER 128 N -4.44 7.07 -0.10 6.66 0.01 -1.26 -4.76 113.70 116.89 2dnx s SER 128 Ca 0.73 -3.62 -0.01 0.00 1.31 0.00 0.00 55.95 54.36 2dnx s SER 128 Cb -0.06 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2dnx s SER 128 CO 0.55 -0.27 0.02 -0.24 0.41 0.00 0.00 173.24 173.71 2dnx n SER 129 N 2.63 -3.43 -0.55 2.44 2.88 -1.26 -5.14 113.62 111.18 2dnx n SER 129 Ca 0.23 0.50 0.07 0.00 -1.33 0.00 0.00 58.87 58.34 2dnx n SER 129 Cb 0.39 -2.51 0.06 0.00 -0.75 0.00 0.00 64.21 61.39 2dnx n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42