#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 -0.50 -2.95 1.61 2.88 -1.26 -4.93 113.62 108.48 2dnx n SER 2 Ca 0.00 1.14 0.04 0.00 -1.33 0.00 0.00 58.87 58.72 2dnx n SER 2 Cb 0.00 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2dnx n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnx s SER 3 N -0.39 -0.36 0.68 -3.46 0.15 -1.26 -5.09 113.70 103.97 2dnx s SER 3 Ca 0.80 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.38 2dnx s SER 3 Cb -1.13 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2dnx s SER 3 CO 0.56 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2dnx n GLY 4 N 4.36 1.34 2.67 9.45 0.00 -1.26 -4.87 105.19 116.88 2dnx n GLY 4 Ca 0.07 0.59 -0.04 0.00 0.00 0.00 0.00 46.02 46.65 2dnx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dnx n SER 5 N 6.58 -7.47 -3.86 1.61 2.88 -1.26 -5.00 113.62 107.09 2dnx n SER 5 Ca 0.00 0.91 -0.30 0.00 -1.33 0.00 0.00 58.87 58.16 2dnx n SER 5 Cb 0.00 -4.99 -0.14 0.00 -0.75 0.00 0.00 64.21 58.33 2dnx n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnx s SER 6 N -1.97 4.10 0.00 -3.46 0.15 -1.26 -4.89 113.70 106.38 2dnx s SER 6 Ca 0.11 -2.76 0.00 0.00 0.70 0.00 0.00 55.95 54.00 2dnx s SER 6 Cb -0.03 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 2dnx s SER 6 CO 0.71 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.50 2dnx n GLY 7 N 3.42 5.36 2.53 9.45 0.00 -1.26 -5.11 105.19 119.58 2dnx n GLY 7 Ca 0.06 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 0.85 -3.96 1.61 7.27 -1.26 -5.13 117.38 116.77 2dnx n GLN 8 Ca 0.00 -2.38 -0.09 0.00 0.07 0.00 0.00 57.00 54.59 2dnx n GLN 8 Cb 0.00 -1.34 -0.07 0.00 2.41 0.00 0.00 30.24 31.24 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 -1.48 1.04 -1.51 1.69 1.43 -1.26 -5.05 118.68 113.54 2dnx s LEU 9 Ca 0.31 -0.86 -0.09 0.00 -1.03 0.00 0.00 54.13 52.46 2dnx s LEU 9 Cb 0.25 1.14 -0.05 0.00 0.03 0.00 0.00 46.19 47.56 2dnx s LEU 9 CO -0.14 -0.87 2.87 0.54 0.23 0.00 0.00 176.35 178.98 2dnx n ARG 10 N -0.20 3.82 -2.93 1.70 1.74 -1.26 -4.74 116.66 114.79 2dnx n ARG 10 Ca -0.08 -2.41 -0.34 0.00 -0.77 0.00 0.00 57.85 54.25 2dnx n ARG 10 Cb 0.63 -2.74 -0.07 0.00 -1.02 0.00 0.00 32.46 29.27 2dnx n ARG 10 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dnx s ASP 11 N 1.79 6.98 0.25 0.55 1.01 -1.26 -4.77 116.67 121.23 2dnx s ASP 11 Ca 0.67 1.57 -0.08 0.00 0.71 0.00 0.00 52.55 55.42 2dnx s ASP 11 Cb 0.19 -2.49 0.43 0.00 1.01 0.00 0.00 42.92 42.06 2dnx s ASP 11 CO -0.07 -0.21 1.60 0.15 0.21 0.00 0.00 175.17 176.85 2dnx h PHE 12 N 2.43 -0.28 0.00 4.23 3.04 -1.97 1.82 116.94 126.21 2dnx h PHE 12 Ca -0.48 0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.47 2dnx h PHE 12 Cb 1.18 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.94 2dnx h PHE 12 CO 0.62 -0.33 -0.30 1.03 -2.02 0.00 0.00 178.31 177.31 2dnx h SER 13 N 0.03 0.00 0.35 0.41 0.87 -1.96 0.45 113.55 113.70 2dnx h SER 13 Ca 0.43 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.73 2dnx h SER 13 Cb 0.71 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2dnx h SER 13 CO -0.80 0.30 -1.09 0.28 -0.53 0.00 0.00 176.83 174.99 2dnx h SER 14 N 0.00 0.60 -0.01 6.23 0.02 0.18 -1.18 113.55 119.39 2dnx h SER 14 Ca -0.00 -0.53 -0.26 0.00 -0.84 0.00 0.00 61.79 60.15 2dnx h SER 14 Cb 0.58 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 62.96 2dnx h SER 14 CO 0.04 1.36 -0.99 0.40 -1.14 0.00 0.00 176.83 176.49 2dnx h ILE 15 N 0.21 1.28 0.61 3.27 2.04 0.23 -2.82 117.51 122.33 2dnx h ILE 15 Ca -0.12 -2.20 -0.03 0.00 1.00 0.00 0.00 64.86 63.51 2dnx h ILE 15 Cb 1.76 2.31 0.01 0.00 -0.74 0.00 0.00 36.82 40.15 2dnx h ILE 15 CO 0.19 0.68 -0.29 0.40 0.00 0.00 0.00 178.15 179.13 2dnx h ILE 16 N 0.42 0.00 -0.94 -0.67 2.04 -0.16 -1.31 117.51 116.89 2dnx h ILE 16 Ca -0.11 -0.19 0.27 0.00 1.00 0.00 0.00 64.86 65.83 2dnx h ILE 16 Cb 1.64 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.56 2dnx h ILE 16 CO 0.20 0.00 0.15 0.06 0.00 0.00 0.00 178.15 178.55 2dnx h GLN 17 N -1.00 0.08 -0.63 2.37 3.07 -1.33 1.73 115.11 119.40 2dnx h GLN 17 Ca -0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.62 2dnx h GLN 17 Cb 0.63 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 28.14 2dnx h GLN 17 CO 0.14 0.05 0.26 1.15 0.09 0.00 0.00 178.83 180.52 2dnx h THR 18 N 0.08 1.22 0.56 1.86 2.02 -1.40 -0.42 112.91 116.83 2dnx h THR 18 Ca 0.60 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 2dnx h THR 18 Cb 1.26 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2dnx h THR 18 CO -0.80 0.27 -0.27 0.00 0.37 0.00 0.00 175.52 175.09 2dnx h SER 20 N -1.19 0.39 0.24 0.00 0.87 -0.02 0.27 113.55 114.10 2dnx h SER 20 Ca -0.08 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2dnx h SER 20 Cb 0.59 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2dnx h SER 20 CO 0.13 -0.05 -0.11 1.23 -0.53 0.00 0.00 176.83 177.49 2dnx h GLY 21 N 0.27 -0.33 0.10 5.77 0.00 -0.96 -2.98 103.07 104.95 2dnx h GLY 21 Ca 0.70 0.12 0.04 0.00 0.00 0.00 0.00 47.33 48.20 2dnx h GLY 21 CO -0.40 -0.12 -0.37 3.43 0.00 0.00 0.00 176.54 179.08 2dnx h ASN 22 N -0.85 -1.15 -0.97 0.19 2.35 0.13 -1.89 115.58 113.38 2dnx h ASN 22 Ca -0.03 0.16 0.09 0.00 -0.55 0.00 0.00 56.30 55.96 2dnx h ASN 22 Cb 0.51 0.48 -0.12 0.00 0.05 0.00 0.00 38.32 39.24 2dnx h ASN 22 CO 0.05 -0.40 -0.57 -0.38 -1.65 0.00 0.00 177.43 174.48 2dnx n ILE 23 N -5.43 -0.66 -0.25 2.81 5.41 0.71 -0.58 119.36 121.38 2dnx n ILE 23 Ca -0.04 2.39 -0.10 0.00 1.00 0.00 0.00 62.75 66.00 2dnx n ILE 23 Cb 0.35 -2.96 -0.08 0.00 -0.71 0.00 0.00 39.64 36.23 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 -0.13 -0.48 0.38 4.20 -1.19 0.37 115.11 118.25 2dnx h GLN 24 Ca 0.16 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.96 2dnx h GLN 24 Cb 0.40 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.11 2dnx h GLN 24 CO -0.91 -0.09 -0.38 0.00 -0.67 0.00 0.00 178.83 176.77 2dnx h ARG 25 N -0.14 -0.25 -0.81 1.46 -0.00 -0.35 0.87 114.38 115.16 2dnx h ARG 25 Ca 0.10 0.02 0.16 0.00 -0.50 0.00 0.00 59.98 59.76 2dnx h ARG 25 Cb 0.40 0.06 -0.15 0.00 0.00 0.00 0.00 29.97 30.28 2dnx h ARG 25 CO -0.66 -0.16 -0.24 0.82 0.00 0.00 0.00 179.97 179.73 2dnx h ILE 26 N -0.26 0.16 -0.25 2.04 2.04 0.11 1.22 117.51 122.57 2dnx h ILE 26 Ca 0.17 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.93 2dnx h ILE 26 Cb 0.56 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2dnx h ILE 26 CO -0.61 0.00 -0.29 -1.28 0.00 0.00 0.00 178.15 175.97 2dnx h SER 27 N -0.02 0.52 0.46 1.72 0.87 0.84 -2.11 113.55 115.83 2dnx h SER 27 Ca 0.37 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2dnx h SER 27 Cb 0.60 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2dnx h SER 27 CO -0.84 0.80 -0.22 1.56 -0.53 0.00 0.00 176.83 177.59 2dnx h GLN 28 N 0.45 -0.59 -0.97 2.24 4.20 0.81 -1.15 115.11 120.09 2dnx h GLN 28 Ca 0.06 0.04 0.24 0.00 0.06 0.00 0.00 58.65 59.05 2dnx h GLN 28 Cb 0.74 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 28.53 2dnx h GLN 28 CO 0.06 -0.40 0.54 0.00 -0.67 0.00 0.00 178.83 178.36 2dnx h ALA 29 N -1.68 1.71 0.00 3.87 0.00 0.20 1.57 119.26 124.94 2dnx h ALA 29 Ca -0.06 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2dnx h ALA 29 Cb 0.47 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2dnx h ALA 29 CO 0.10 -0.31 -0.04 1.15 0.00 0.00 0.00 179.25 180.15 2dnx h THR 30 N 0.52 0.90 0.18 0.00 2.02 -1.18 -1.16 112.91 114.19 2dnx h THR 30 Ca 0.63 -0.15 -0.31 0.00 0.77 0.00 0.00 66.41 67.35 2dnx h THR 30 Cb 1.21 1.08 0.03 0.00 -1.74 0.00 0.00 68.15 68.73 2dnx h THR 30 CO -0.50 0.04 -1.34 0.00 0.37 0.00 0.00 175.52 174.09 2dnx h ALA 31 N 1.96 -0.04 -0.82 6.16 0.00 0.35 -2.98 119.26 123.88 2dnx h ALA 31 Ca -0.00 -0.83 0.01 0.00 0.00 0.00 0.00 54.91 54.09 2dnx h ALA 31 Cb 0.08 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2dnx h ALA 31 CO 0.01 0.75 0.54 1.96 0.00 0.00 0.00 179.25 182.50 2dnx h GLN 32 N 0.18 1.07 -0.20 0.00 4.20 0.10 0.82 115.11 121.29 2dnx h GLN 32 Ca -0.20 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 2dnx h GLN 32 Cb 2.03 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.55 2dnx h GLN 32 CO 0.25 0.71 0.03 0.82 -0.67 0.00 0.00 178.83 179.97 2dnx h ILE 33 N 1.11 1.22 -0.23 2.54 2.04 -1.30 1.41 117.51 124.30 2dnx h ILE 33 Ca 0.30 -0.73 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 2dnx h ILE 33 Cb -0.13 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2dnx h ILE 33 CO -0.07 0.22 -0.27 0.11 0.00 0.00 0.00 178.15 178.15 2dnx h LYS 34 N 0.12 0.44 -0.12 2.37 1.57 -1.24 1.29 116.57 121.01 2dnx h LYS 34 Ca 0.06 -0.17 -0.23 0.00 -1.87 0.00 0.00 60.65 58.45 2dnx h LYS 34 Cb 0.31 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.60 2dnx h LYS 34 CO 0.00 0.68 -0.82 -0.97 -0.57 0.00 0.00 179.45 177.77 2dnx h ASN 35 N 0.39 0.87 1.51 0.86 -0.73 0.97 -3.05 115.58 116.41 2dnx h ASN 35 Ca 0.06 -0.59 -0.07 0.00 1.87 0.00 0.00 56.30 57.56 2dnx h ASN 35 Cb 0.67 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 2dnx h ASN 35 CO 0.05 1.39 -0.34 -0.07 -0.37 0.00 0.00 177.43 178.09 2dnx h LEU 36 N 0.48 0.00 -0.26 0.34 3.38 0.22 -3.28 115.31 116.19 2dnx h LEU 36 Ca -0.06 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2dnx h LEU 36 Cb 1.45 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.15 2dnx h LEU 36 CO 0.16 0.34 -0.07 -0.03 0.09 0.00 0.00 178.44 178.94 2dnx h MET 37 N 0.00 -0.00 -0.72 1.13 4.05 0.18 -2.40 114.93 117.17 2dnx h MET 37 Ca -0.00 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.53 2dnx h MET 37 Cb 1.19 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.87 2dnx h MET 37 CO 0.04 -0.00 -0.40 1.03 0.23 0.00 0.00 176.91 177.81 2dnx h SER 38 N -0.00 -1.41 0.00 1.39 0.87 -1.61 -1.87 113.55 110.91 2dnx h SER 38 Ca 0.13 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2dnx h SER 38 Cb 0.20 0.68 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2dnx h SER 38 CO -0.27 -0.31 0.00 0.00 -0.53 0.00 0.00 176.83 175.72 2dnx n GLN 39 N -5.42 0.00 -0.68 2.24 6.02 -0.91 0.20 117.38 118.83 2dnx n GLN 39 Ca 0.05 0.96 0.52 0.00 -0.01 0.00 0.00 57.00 58.52 2dnx n GLN 39 Cb 0.36 -1.47 0.82 0.00 1.02 0.00 0.00 30.24 30.97 2dnx n GLN 39 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2dnx h LEU 40 N 0.00 0.00 -5.42 1.08 -0.00 -1.34 -2.61 115.31 107.02 2dnx h LEU 40 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.59 2dnx h LEU 40 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2dnx h LEU 40 CO 0.00 -0.00 2.11 0.61 -0.00 0.00 0.00 178.44 181.16 2dnx n GLY 41 N -1.91 2.78 1.40 0.83 0.00 0.53 -2.59 105.19 106.23 2dnx n GLY 41 Ca 0.43 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2dnx n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dnx n THR 42 N 4.16 0.00 -2.05 2.61 -2.24 -0.99 -5.00 114.28 110.77 2dnx n THR 42 Ca 0.35 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.11 2dnx n THR 42 Cb 0.14 -0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.31 2dnx n THR 42 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2dnx n LYS 43 N -2.20 -0.61 -2.73 -0.78 4.76 -1.07 -5.04 118.16 110.49 2dnx n LYS 43 Ca 0.00 0.53 -0.07 0.00 -2.87 0.00 0.00 58.31 55.91 2dnx n LYS 43 Cb 0.00 -2.93 0.05 0.00 -1.84 0.00 0.00 35.03 30.31 2dnx n LYS 43 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2dnx n GLN 44 N -1.70 0.59 -1.58 1.97 7.27 -1.26 -5.12 117.38 117.55 2dnx n GLN 44 Ca -0.01 -1.53 0.00 0.00 0.07 0.00 0.00 57.00 55.53 2dnx n GLN 44 Cb 0.52 -1.15 0.00 0.00 2.41 0.00 0.00 30.24 32.02 2dnx n GLN 44 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2dnx n ASP 45 N 1.85 -8.40 0.00 1.69 9.92 -1.26 -5.06 116.55 115.28 2dnx n ASP 45 Ca 0.09 1.18 0.00 0.00 -0.53 0.00 0.00 54.79 55.53 2dnx n ASP 45 Cb 0.64 -4.38 0.00 0.00 -0.64 0.00 0.00 41.12 36.73 2dnx n ASP 45 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2dnx n SER 46 N -0.16 0.00 -0.08 -2.24 3.41 -1.26 -5.02 113.62 108.27 2dnx n SER 46 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2dnx n SER 46 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2dnx n SER 46 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dnx h SER 47 N 0.00 0.00 -1.56 4.04 0.87 -2.00 -3.25 113.55 111.65 2dnx h SER 47 Ca 0.00 -0.19 0.45 0.00 -1.23 0.00 0.00 61.79 60.82 2dnx h SER 47 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 2dnx h SER 47 CO 0.00 0.97 1.15 0.50 -0.53 0.00 0.00 176.83 178.92 2dnx h LYS 48 N -1.00 0.00 0.08 2.24 3.11 -1.99 0.60 116.57 119.61 2dnx h LYS 48 Ca -0.11 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.73 2dnx h LYS 48 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 2dnx h LYS 48 CO -0.07 0.00 -0.04 -0.07 -2.81 0.00 0.00 179.45 176.47 2dnx h LEU 49 N 0.00 -0.09 -1.00 5.20 3.38 -1.99 -2.90 115.31 117.91 2dnx h LEU 49 Ca 0.74 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.82 2dnx h LEU 49 Cb 3.04 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 43.69 2dnx h LEU 49 CO -0.01 -0.02 -0.55 0.00 0.09 0.00 0.00 178.44 177.95 2dnx n GLN 50 N -2.52 -0.40 -0.38 1.13 6.02 0.06 0.19 117.38 121.48 2dnx n GLN 50 Ca -0.01 1.51 0.29 0.00 -0.01 0.00 0.00 57.00 58.78 2dnx n GLN 50 Cb 0.04 -2.23 0.56 0.00 1.02 0.00 0.00 30.24 29.64 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 0.23 -0.35 -1.09 4.39 -1.27 1.21 114.58 117.69 2dnx h GLU 51 Ca 0.20 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 2dnx h GLU 51 Cb 0.45 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2dnx h GLU 51 CO -0.95 0.15 -0.15 -0.97 -1.16 0.00 0.00 179.01 175.94 2dnx h ASN 52 N 0.23 0.74 0.19 1.42 -0.73 0.24 -2.38 115.58 115.30 2dnx h ASN 52 Ca 0.73 -0.39 0.01 0.00 1.87 0.00 0.00 56.30 58.51 2dnx h ASN 52 Cb 2.02 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 40.37 2dnx h ASN 52 CO -0.43 0.97 -0.48 -0.07 -0.37 0.00 0.00 177.43 177.05 2dnx h LEU 53 N 0.51 -1.40 -0.13 0.34 3.38 0.30 0.24 115.31 118.54 2dnx h LEU 53 Ca 0.08 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2dnx h LEU 53 Cb 0.68 0.51 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 2dnx h LEU 53 CO 0.05 -0.53 -0.39 1.56 0.09 0.00 0.00 178.44 179.22 2dnx h GLN 54 N -0.74 -0.37 -0.82 1.13 1.08 -1.33 0.75 115.11 114.81 2dnx h GLN 54 Ca -0.02 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.36 2dnx h GLN 54 Cb 0.71 0.08 -0.15 0.00 -0.05 0.00 0.00 27.48 28.07 2dnx h GLN 54 CO -0.21 -0.25 -0.24 1.96 -0.95 0.00 0.00 178.83 179.13 2dnx h GLN 55 N -0.39 -0.02 -0.00 1.46 4.20 -1.20 0.20 115.11 119.36 2dnx h GLN 55 Ca 0.03 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.77 2dnx h GLN 55 Cb 0.47 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 2dnx h GLN 55 CO -0.33 -0.01 -0.37 -0.07 -0.67 0.00 0.00 178.83 177.37 2dnx h LEU 56 N -0.02 -1.12 -0.25 1.46 3.38 0.71 0.68 115.31 120.14 2dnx h LEU 56 Ca 0.37 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.51 2dnx h LEU 56 Cb 0.60 0.45 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 2dnx h LEU 56 CO -0.85 -0.42 -0.31 1.56 0.09 0.00 0.00 178.44 178.51 2dnx h GLN 57 N -0.53 -0.20 -0.32 1.13 4.20 0.16 -0.40 115.11 119.16 2dnx h GLN 57 Ca 0.06 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.85 2dnx h GLN 57 Cb 0.61 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.36 2dnx h GLN 57 CO -0.30 -0.13 -0.18 1.25 -0.67 0.00 0.00 178.83 178.80 2dnx h HIS 58 N -0.21 -0.46 -1.00 2.96 2.76 -0.87 0.14 115.15 118.48 2dnx h HIS 58 Ca 0.04 0.04 0.28 0.00 -2.20 0.00 0.00 60.37 58.54 2dnx h HIS 58 Cb 0.32 0.25 -0.19 0.00 1.55 0.00 0.00 27.41 29.35 2dnx h HIS 58 CO -0.69 -0.26 0.06 0.45 -1.30 0.00 0.00 177.93 176.18 2dnx n SER 59 N -5.35 -0.08 0.03 3.26 2.88 0.23 0.17 113.62 114.76 2dnx n SER 59 Ca 0.01 1.69 -0.16 0.00 -1.33 0.00 0.00 58.87 59.08 2dnx n SER 59 Cb 0.26 -0.63 -0.05 0.00 -0.75 0.00 0.00 64.21 63.04 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 1.32 -0.27 2.46 2.02 0.55 -2.89 112.91 116.10 2dnx h THR 60 Ca 0.62 -2.17 0.06 0.00 0.77 0.00 0.00 66.41 65.70 2dnx h THR 60 Cb 1.32 2.19 -0.08 0.00 -1.74 0.00 0.00 68.15 69.84 2dnx h THR 60 CO -0.93 0.67 -0.28 -1.13 0.37 0.00 0.00 175.52 174.21 2dnx h ASN 61 N 0.39 -0.92 0.70 4.18 -1.24 0.43 0.10 115.58 119.22 2dnx h ASN 61 Ca -0.07 0.16 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 2dnx h ASN 61 Cb 1.49 0.42 -0.00 0.00 0.73 0.00 0.00 38.32 40.95 2dnx h ASN 61 CO 0.16 -0.31 -0.44 1.56 -1.29 0.00 0.00 177.43 177.11 2dnx h GLN 62 N -0.28 -1.03 -0.81 6.67 1.08 -0.93 -2.14 115.11 117.67 2dnx h GLN 62 Ca 0.14 0.07 0.07 0.00 -1.45 0.00 0.00 58.65 57.48 2dnx h GLN 62 Cb 0.51 0.23 -0.10 0.00 -0.05 0.00 0.00 27.48 28.07 2dnx h GLN 62 CO -0.43 -0.69 -0.48 1.28 -0.95 0.00 0.00 178.83 177.56 2dnx n LEU 63 N -5.22 -0.86 -0.32 1.46 4.77 -0.99 0.32 117.00 116.17 2dnx n LEU 63 Ca -0.13 1.58 -0.07 0.00 -0.03 0.00 0.00 56.01 57.36 2dnx n LEU 63 Cb 0.45 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2dnx n LEU 63 CO 0.30 -1.24 0.55 0.00 -1.33 0.00 0.00 177.39 175.67 2dnx h ALA 64 N 0.26 -0.24 -0.91 -1.18 0.00 -0.69 0.72 119.26 117.22 2dnx h ALA 64 Ca 0.13 0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.39 2dnx h ALA 64 Cb 0.33 1.09 -0.17 0.00 0.00 0.00 0.00 17.79 19.04 2dnx h ALA 64 CO -0.76 -0.80 -0.23 0.87 0.00 0.00 0.00 179.25 178.32 2dnx h LYS 65 N -0.10 -0.00 -0.27 0.00 1.57 0.55 0.72 116.57 119.04 2dnx h LYS 65 Ca 0.23 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2dnx h LYS 65 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2dnx h LYS 65 CO -0.85 -0.00 0.16 0.93 -0.57 0.00 0.00 179.45 179.12 2dnx h GLU 66 N -0.00 0.37 -0.34 3.15 5.08 0.13 -2.52 114.58 120.46 2dnx h GLU 66 Ca 0.44 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.82 2dnx h GLU 66 Cb 0.66 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 2dnx h GLU 66 CO -0.94 0.30 -0.45 1.15 -1.00 0.00 0.00 179.01 178.08 2dnx h THR 67 N 0.34 0.10 -0.46 1.13 2.02 0.31 0.51 112.91 116.86 2dnx h THR 67 Ca 0.10 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.37 2dnx h THR 67 Cb 0.03 0.10 -0.10 0.00 -1.74 0.00 0.00 68.15 66.44 2dnx h THR 67 CO -0.02 0.00 -0.21 -1.13 0.37 0.00 0.00 175.52 174.54 2dnx h ASN 68 N -0.38 -0.71 -0.60 4.18 -0.73 -0.93 0.63 115.58 117.04 2dnx h ASN 68 Ca 0.11 0.17 0.08 0.00 1.87 0.00 0.00 56.30 58.53 2dnx h ASN 68 Cb 0.60 0.39 -0.06 0.00 0.27 0.00 0.00 38.32 39.52 2dnx h ASN 68 CO -0.54 -0.23 0.26 -0.33 -0.37 0.00 0.00 177.43 176.22 2dnx h GLU 69 N -0.11 0.47 -0.04 6.67 5.08 -0.63 0.09 114.58 126.11 2dnx h GLU 69 Ca 0.22 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2dnx h GLU 69 Cb 0.45 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2dnx h GLU 69 CO -0.53 0.31 0.02 -0.07 -1.00 0.00 0.00 179.01 177.74 2dnx h LEU 70 N 0.48 0.05 -1.52 1.33 3.38 0.24 -1.43 115.31 117.85 2dnx h LEU 70 Ca 0.29 -0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.39 2dnx h LEU 70 Cb 0.29 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2dnx h LEU 70 CO -0.25 0.08 0.56 -0.07 0.09 0.00 0.00 178.44 178.84 2dnx h LEU 71 N 0.01 0.42 -0.33 1.67 3.38 0.10 0.23 115.31 120.80 2dnx h LEU 71 Ca 0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2dnx h LEU 71 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2dnx h LEU 71 CO -0.00 0.19 0.09 0.11 0.09 0.00 0.00 178.44 178.92 2dnx h LYS 72 N 0.44 0.52 0.15 1.13 1.57 0.01 -2.82 116.57 117.57 2dnx h LYS 72 Ca 0.43 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2dnx h LYS 72 Cb 1.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2dnx h LYS 72 CO -0.16 0.57 -0.07 0.93 -0.57 0.00 0.00 179.45 180.15 2dnx h GLU 73 N 0.37 -0.20 -0.60 3.15 5.08 0.19 0.13 114.58 122.70 2dnx h GLU 73 Ca 0.10 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 2dnx h GLU 73 Cb 0.28 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 2dnx h GLU 73 CO -0.00 -0.12 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.41 2dnx h LEU 74 N -0.21 -1.46 -2.31 1.33 3.38 -0.92 1.50 115.31 116.62 2dnx h LEU 74 Ca -0.02 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2dnx h LEU 74 Cb 0.17 0.64 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2dnx h LEU 74 CO 0.03 -0.19 -0.03 1.23 0.09 0.00 0.00 178.44 179.57 2dnx h GLY 75 N -0.06 0.00 1.08 0.83 0.00 -1.40 -1.49 103.07 102.04 2dnx h GLY 75 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 2dnx h GLY 75 CO -0.60 0.00 -0.32 0.23 0.00 0.00 0.00 176.54 175.85 2dnx h SER 76 N 0.00 0.94 -3.14 0.19 0.87 0.38 -3.45 113.55 109.35 2dnx h SER 76 Ca -0.00 -0.45 -0.56 0.00 -1.23 0.00 0.00 61.79 59.55 2dnx h SER 76 Cb 0.09 -0.26 0.19 0.00 -0.44 0.00 0.00 62.40 61.97 2dnx h SER 76 CO 0.00 1.20 -0.48 0.18 -0.53 0.00 0.00 176.83 177.20 2dnx n LEU 77 N -4.13 0.40 0.00 2.23 4.77 0.25 -4.99 117.00 115.54 2dnx n LEU 77 Ca -0.02 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2dnx n LEU 77 Cb 0.51 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 2dnx n LEU 77 CO 0.47 -3.29 0.00 -0.81 -1.33 0.00 0.00 177.39 172.43 2dnx n PRO 78 N -0.59 0.51 -4.17 3.23 -0.04 -1.26 -5.01 135.00 127.66 2dnx n PRO 78 Ca 0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 2dnx n PRO 78 Cb 0.50 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.84 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 2.26 0.73 1.53 1.43 -1.26 -5.08 118.68 118.29 2dnx s LEU 79 Ca 0.00 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 2dnx s LEU 79 Cb 0.00 -0.46 0.03 0.00 0.03 0.00 0.00 46.19 45.79 2dnx s LEU 79 CO 0.00 -0.08 1.07 -2.16 0.23 0.00 0.00 176.35 175.41 2dnx s PRO 80 N -1.61 2.64 0.39 1.29 0.04 -1.26 -4.95 135.00 131.55 2dnx s PRO 80 Ca -0.03 0.85 0.13 0.00 0.04 0.00 0.00 61.00 61.99 2dnx s PRO 80 Cb -0.10 -1.96 0.78 0.00 0.04 0.00 0.00 34.50 33.26 2dnx s PRO 80 CO 0.02 -1.28 1.86 -0.07 0.04 0.00 0.00 177.00 177.57 2dnx h LEU 81 N -0.85 0.00-10.04 -3.56 -0.00 -2.02 -3.43 115.31 95.41 2dnx h LEU 81 Ca -0.45 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 56.92 2dnx h LEU 81 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 2dnx h LEU 81 CO 0.58 0.33 0.02 -0.44 -0.00 0.00 0.00 178.44 178.92 2dnx s SER 82 N -6.95 6.65 -0.06 -0.43 0.01 -1.26 -5.01 113.70 106.65 2dnx s SER 82 Ca -0.03 1.09 -0.14 0.00 1.31 0.00 0.00 55.95 58.18 2dnx s SER 82 Cb 0.15 -2.30 -0.30 0.00 0.21 0.00 0.00 66.02 63.78 2dnx s SER 82 CO 0.72 -0.21 0.67 0.74 0.41 0.00 0.00 173.24 175.58 2dnx h THR 83 N 1.73 1.04 -1.33 1.44 2.02 -1.99 -3.09 112.91 112.73 2dnx h THR 83 Ca -0.47 -2.49 0.40 0.00 0.77 0.00 0.00 66.41 64.62 2dnx h THR 83 Cb 1.18 2.80 -0.10 0.00 -1.74 0.00 0.00 68.15 70.29 2dnx h THR 83 CO 0.66 0.79 0.89 -1.28 0.37 0.00 0.00 175.52 176.96 2dnx h SER 84 N -0.06 0.21 0.22 4.18 0.87 -1.97 0.85 113.55 117.86 2dnx h SER 84 Ca -0.31 0.08 -0.35 0.00 -1.23 0.00 0.00 61.79 59.99 2dnx h SER 84 Cb 1.96 0.06 0.02 0.00 -0.44 0.00 0.00 62.40 64.00 2dnx h SER 84 CO 0.15 -0.07 -1.68 -0.33 -0.53 0.00 0.00 176.83 174.37 2dnx h GLU 85 N 0.13 0.43 -0.96 2.24 4.39 -1.96 -3.08 114.58 115.76 2dnx h GLU 85 Ca 0.74 -0.73 0.16 0.00 0.34 0.00 0.00 59.36 59.88 2dnx h GLU 85 Cb 2.45 0.27 -0.10 0.00 -0.10 0.00 0.00 28.75 31.27 2dnx h GLU 85 CO -0.27 1.34 0.57 1.96 -1.16 0.00 0.00 179.01 181.46 2dnx h GLN 86 N 0.12 0.75 0.38 2.33 4.20 0.72 0.29 115.11 123.91 2dnx h GLN 86 Ca -0.32 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 2dnx h GLN 86 Cb 2.12 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.73 2dnx h GLN 86 CO 0.20 0.50 -0.18 0.00 -0.67 0.00 0.00 178.83 178.68 2dnx h ARG 87 N 0.77 -0.50 -0.80 1.46 -0.00 -1.09 -1.91 114.38 112.32 2dnx h ARG 87 Ca 0.53 0.03 0.23 0.00 -0.50 0.00 0.00 59.98 60.28 2dnx h ARG 87 Cb 0.75 0.11 -0.03 0.00 0.00 0.00 0.00 29.97 30.80 2dnx h ARG 87 CO -0.35 -0.22 0.67 1.96 0.00 0.00 0.00 179.97 182.02 2dnx h GLN 88 N -1.04 0.00 0.20 0.04 1.08 -1.33 1.26 115.11 115.32 2dnx h GLN 88 Ca -0.05 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2dnx h GLN 88 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2dnx h GLN 88 CO 0.09 0.00 -0.09 1.96 -0.95 0.00 0.00 178.83 179.83 2dnx h GLN 89 N 0.00 -0.26 -0.72 1.46 4.20 -0.34 -2.53 115.11 116.93 2dnx h GLN 89 Ca 0.38 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.13 2dnx h GLN 89 Cb 1.71 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.51 2dnx h GLN 89 CO -0.00 -0.17 0.47 0.07 -0.67 0.00 0.00 178.83 178.53 2dnx h ARG 90 N -0.65 0.87 0.05 1.46 0.11 -0.49 -1.70 114.38 114.04 2dnx h ARG 90 Ca -0.03 -0.05 0.02 0.00 0.10 0.00 0.00 59.98 60.02 2dnx h ARG 90 Cb 0.20 -0.20 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 2dnx h ARG 90 CO 0.04 0.58 -0.21 -0.07 0.10 0.00 0.00 179.97 180.41 2dnx h LEU 91 N 0.90 -0.60 -0.58 0.08 3.38 0.15 0.40 115.31 119.04 2dnx h LEU 91 Ca 0.28 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.38 2dnx h LEU 91 Cb 0.01 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2dnx h LEU 91 CO -0.08 -0.28 0.30 1.56 0.09 0.00 0.00 178.44 180.03 2dnx h GLN 92 N -0.36 0.56 0.63 1.13 1.08 -0.95 -2.02 115.11 115.18 2dnx h GLN 92 Ca 0.04 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2dnx h GLN 92 Cb 0.41 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2dnx h GLN 92 CO -0.16 0.37 -0.43 -0.22 -0.95 0.00 0.00 178.83 177.44 2dnx h LYS 93 N 0.57 -0.98 -0.93 1.46 3.64 -0.61 0.14 116.57 119.86 2dnx h LYS 93 Ca 0.26 0.07 0.17 0.00 -1.27 0.00 0.00 60.65 59.87 2dnx h LYS 93 Cb 0.16 0.22 -0.17 0.00 -0.41 0.00 0.00 32.23 32.04 2dnx h LYS 93 CO -0.17 -0.65 -0.31 0.93 -2.27 0.00 0.00 179.45 176.98 2dnx h GLU 94 N -1.01 -0.02 -0.26 1.90 4.39 0.11 0.58 114.58 120.27 2dnx h GLU 94 Ca -0.08 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2dnx h GLU 94 Cb 0.83 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2dnx h GLU 94 CO 0.06 -0.01 0.16 0.00 -1.16 0.00 0.00 179.01 178.05 2dnx h ARG 95 N -0.02 0.36 -0.69 2.33 -0.00 -1.02 -1.86 114.38 113.49 2dnx h ARG 95 Ca 0.39 -0.04 0.15 0.00 -0.50 0.00 0.00 59.98 59.99 2dnx h ARG 95 Cb 0.64 -0.07 -0.11 0.00 0.00 0.00 0.00 29.97 30.42 2dnx h ARG 95 CO -0.95 0.29 0.04 -0.07 0.00 0.00 0.00 179.97 179.29 2dnx h LEU 96 N 0.33 -0.23 0.83 3.04 3.38 0.29 1.49 115.31 124.44 2dnx h LEU 96 Ca 0.09 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2dnx h LEU 96 Cb 0.03 0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2dnx h LEU 96 CO -0.02 -0.12 -0.42 0.24 0.09 0.00 0.00 178.44 178.21 2dnx h MET 97 N 0.15 -1.11 0.05 1.13 2.86 -0.41 0.59 114.93 118.19 2dnx h MET 97 Ca 0.38 0.08 0.02 0.00 -2.06 0.00 0.00 59.70 58.11 2dnx h MET 97 Cb 0.64 0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 2dnx h MET 97 CO -0.57 -0.74 -0.20 -0.91 1.06 0.00 0.00 176.91 175.55 2dnx h ASN 98 N -1.15 -0.57 -0.14 1.22 2.35 -0.49 0.39 115.58 117.19 2dnx h ASN 98 Ca -0.11 0.08 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2dnx h ASN 98 Cb 0.89 0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.43 2dnx h ASN 98 CO 0.17 -0.27 -0.31 0.44 -1.65 0.00 0.00 177.43 175.81 2dnx h ASP 99 N -0.35 -0.95 -0.92 5.81 3.32 0.21 0.33 116.42 123.88 2dnx h ASP 99 Ca 0.04 0.14 0.11 0.00 0.02 0.00 0.00 57.03 57.35 2dnx h ASP 99 Cb 0.40 0.41 -0.08 0.00 0.22 0.00 0.00 39.33 40.28 2dnx h ASP 99 CO -0.15 -0.35 0.55 0.15 -1.72 0.00 0.00 179.24 177.72 2dnx h PHE 100 N -0.38 1.00 0.52 4.55 3.57 0.68 -1.33 116.94 125.54 2dnx h PHE 100 Ca 0.10 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2dnx h PHE 100 Cb 0.53 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.97 2dnx h PHE 100 CO -0.40 0.39 -0.25 1.03 -2.23 0.00 0.00 178.31 176.86 2dnx h SER 101 N 0.89 -0.59 -1.06 0.41 0.87 0.14 0.45 113.55 114.67 2dnx h SER 101 Ca 0.45 -0.02 0.28 0.00 -1.23 0.00 0.00 61.79 61.27 2dnx h SER 101 Cb 0.44 0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 62.46 2dnx h SER 101 CO -0.26 -0.36 0.69 0.00 -0.53 0.00 0.00 176.83 176.37 2dnx h ALA 102 N -0.33 2.31 0.02 6.23 0.00 0.15 1.46 119.26 129.11 2dnx h ALA 102 Ca -0.07 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2dnx h ALA 102 Cb 0.57 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2dnx h ALA 102 CO 0.12 -0.72 -0.95 0.00 0.00 0.00 0.00 179.25 177.69 2dnx h ALA 103 N 1.61 0.43 0.39 0.00 0.00 -0.67 -2.92 119.26 118.10 2dnx h ALA 103 Ca 0.60 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2dnx h ALA 103 Cb 1.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2dnx h ALA 103 CO -0.29 1.00 -0.19 1.25 0.00 0.00 0.00 179.25 181.03 2dnx h LEU 104 N 0.07 -0.44 -0.95 0.00 5.85 0.64 -2.83 115.31 117.64 2dnx h LEU 104 Ca -0.05 0.02 0.29 0.00 0.84 0.00 0.00 57.88 58.98 2dnx h LEU 104 Cb 1.62 0.11 -0.16 0.00 0.37 0.00 0.00 40.66 42.61 2dnx h LEU 104 CO 0.14 -0.15 0.29 -1.13 -0.34 0.00 0.00 178.44 177.26 2dnx h ASN 105 N -0.86 0.02 -0.21 1.25 -1.24 0.24 0.70 115.58 115.49 2dnx h ASN 105 Ca -0.05 0.23 0.06 0.00 0.71 0.00 0.00 56.30 57.24 2dnx h ASN 105 Cb 0.40 0.30 -0.07 0.00 0.73 0.00 0.00 38.32 39.69 2dnx h ASN 105 CO 0.09 -0.25 -0.26 -1.13 -1.29 0.00 0.00 177.43 174.59 2dnx h ASN 106 N 0.14 -0.82 -0.72 1.15 -0.73 -1.50 0.14 115.58 113.25 2dnx h ASN 106 Ca 0.65 0.14 0.08 0.00 1.87 0.00 0.00 56.30 59.03 2dnx h ASN 106 Cb 1.44 0.37 -0.06 0.00 0.27 0.00 0.00 38.32 40.34 2dnx h ASN 106 CO -0.73 -0.30 0.39 0.15 -0.37 0.00 0.00 177.43 176.57 2dnx h PHE 107 N -0.29 0.71 0.39 0.67 3.57 0.62 -1.33 116.94 121.29 2dnx h PHE 107 Ca 0.12 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2dnx h PHE 107 Cb 0.48 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2dnx h PHE 107 CO -0.39 0.31 -0.25 1.96 -2.23 0.00 0.00 178.31 177.71 2dnx h GLN 108 N 0.69 -0.58 -0.66 1.11 4.20 0.13 1.13 115.11 121.14 2dnx h GLN 108 Ca 0.34 0.04 0.19 0.00 0.06 0.00 0.00 58.65 59.28 2dnx h GLN 108 Cb 0.27 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 2dnx h GLN 108 CO -0.22 -0.39 0.79 0.00 -0.67 0.00 0.00 178.83 178.34 2dnx h ALA 109 N -1.52 2.45 0.18 3.87 0.00 -0.62 1.30 119.26 124.92 2dnx h ALA 109 Ca -0.05 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.53 2dnx h ALA 109 Cb 0.49 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2dnx h ALA 109 CO 0.05 -1.13 -1.45 0.28 0.00 0.00 0.00 179.25 177.00 2dnx h VAL 110 N 0.00 1.13 -0.93 0.00 2.07 -0.06 -3.15 116.25 115.32 2dnx h VAL 110 Ca 0.31 -2.52 0.11 0.00 0.82 0.00 0.00 66.70 65.42 2dnx h VAL 110 Cb 1.89 2.88 -0.07 0.00 -1.52 0.00 0.00 31.29 34.47 2dnx h VAL 110 CO -0.00 0.78 0.59 0.06 0.02 0.00 0.00 177.57 179.02 2dnx h GLN 111 N -0.08 0.85 0.55 1.57 3.07 1.06 -0.85 115.11 121.28 2dnx h GLN 111 Ca -0.28 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.38 2dnx h GLN 111 Cb 1.95 -0.19 0.01 0.00 0.08 0.00 0.00 27.48 29.32 2dnx h GLN 111 CO 0.16 0.56 -0.27 -0.09 0.09 0.00 0.00 178.83 179.29 2dnx h ARG 112 N 0.88 -0.72 -0.88 0.06 1.12 -1.24 -1.87 114.38 111.73 2dnx h ARG 112 Ca 0.45 0.05 0.21 0.00 -1.11 0.00 0.00 59.98 59.58 2dnx h ARG 112 Cb 0.50 0.16 -0.16 0.00 -0.01 0.00 0.00 29.97 30.47 2dnx h ARG 112 CO -0.21 -0.48 -0.02 0.00 -3.11 0.00 0.00 179.97 176.15 2dnx h ARG 113 N -0.94 0.05 -0.22 0.20 2.47 -1.44 0.62 114.38 115.12 2dnx h ARG 113 Ca -0.08 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.68 2dnx h ARG 113 Cb 0.57 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.84 2dnx h ARG 113 CO 0.13 0.03 -0.06 0.28 0.56 0.00 0.00 179.97 180.91 2dnx h VAL 114 N 0.05 0.77 -0.49 2.04 2.07 -1.13 -1.39 116.25 118.17 2dnx h VAL 114 Ca 0.49 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.11 2dnx h VAL 114 Cb 0.92 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.38 2dnx h VAL 114 CO -0.82 0.00 -0.04 0.28 0.02 0.00 0.00 177.57 177.01 2dnx h SER 115 N -0.00 -0.29 -0.76 0.57 0.02 0.10 0.64 113.55 113.83 2dnx h SER 115 Ca 0.11 0.13 0.11 0.00 -0.84 0.00 0.00 61.79 61.30 2dnx h SER 115 Cb 0.17 0.24 -0.08 0.00 0.14 0.00 0.00 62.40 62.87 2dnx h SER 115 CO -0.23 -0.10 0.38 -0.08 -1.14 0.00 0.00 176.83 175.66 2dnx h GLU 116 N 0.07 0.59 0.03 3.45 4.81 -0.26 0.11 114.58 123.38 2dnx h GLU 116 Ca 0.25 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2dnx h GLU 116 Cb 0.38 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2dnx h GLU 116 CO -0.45 0.39 -0.15 0.87 -0.73 0.00 0.00 179.01 178.94 2dnx h LYS 117 N 0.61 -0.26 0.00 1.92 1.79 0.12 0.40 116.57 121.15 2dnx h LYS 117 Ca 0.39 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.87 2dnx h LYS 117 Cb 0.46 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2dnx h LYS 117 CO -0.30 -0.17 -0.02 0.93 -1.08 0.00 0.00 179.45 178.81 2dnx h GLU 118 N -0.27 0.00 0.12 3.15 4.39 -0.13 -2.10 114.58 119.74 2dnx h GLU 118 Ca 0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2dnx h GLU 118 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2dnx h GLU 118 CO -0.13 0.02 -0.06 0.87 -1.16 0.00 0.00 179.01 178.55 2dnx h LYS 119 N 0.00 -0.16 -0.80 2.33 1.57 0.12 -2.99 116.57 116.64 2dnx h LYS 119 Ca -0.00 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.98 2dnx h LYS 119 Cb 0.04 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 32.26 2dnx h LYS 119 CO 0.00 0.30 0.18 0.93 -0.57 0.00 0.00 179.45 180.29 2dnx h GLU 120 N -0.90 0.22 0.23 3.15 5.08 0.18 1.11 114.58 123.66 2dnx h GLU 120 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2dnx h GLU 120 Cb 0.53 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2dnx h GLU 120 CO 0.03 0.15 -0.27 0.77 -1.00 0.00 0.00 179.01 178.69 2dnx h SER 121 N 0.23 -0.74 0.35 1.42 0.02 -1.46 -3.26 113.55 110.11 2dnx h SER 121 Ca 0.48 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.47 2dnx h SER 121 Cb 0.88 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2dnx h SER 121 CO -0.59 -0.34 -0.20 0.40 -1.14 0.00 0.00 176.83 174.96 2dnx h ILE 122 N -0.50 0.00 -2.74 3.27 2.04 -1.16 -3.44 117.51 114.98 2dnx h ILE 122 Ca -0.03 0.00 -0.56 0.00 1.00 0.00 0.00 64.86 65.27 2dnx h ILE 122 Cb 0.44 0.00 0.21 0.00 -0.74 0.00 0.00 36.82 36.73 2dnx h ILE 122 CO -0.05 0.00 -0.95 0.00 0.00 0.00 0.00 178.15 177.15 2dnx n ALA 123 N -2.32 -3.07 -0.59 1.87 0.00 0.38 -4.89 120.51 111.88 2dnx n ALA 123 Ca -0.06 -0.41 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 2dnx n ALA 123 Cb 0.21 -1.58 0.22 0.00 0.00 0.00 0.00 19.45 18.29 2dnx n ALA 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dnx s ARG 124 N -2.47 -0.09 -0.17 0.00 1.81 -1.26 -4.75 118.95 112.03 2dnx s ARG 124 Ca 0.55 1.19 -0.17 0.00 -1.72 0.00 0.00 55.73 55.59 2dnx s ARG 124 Cb -0.30 -1.62 -0.06 0.00 -0.45 0.00 0.00 34.95 32.52 2dnx s ARG 124 CO 0.68 -3.27 -0.33 0.45 -0.68 0.00 0.00 175.30 172.15 2dnx n SER 125 N -4.64 1.83 -4.52 0.23 2.88 -1.26 -4.90 113.62 103.23 2dnx n SER 125 Ca 0.07 0.31 -0.45 0.00 -1.33 0.00 0.00 58.87 57.47 2dnx n SER 125 Cb 0.53 -0.72 -0.05 0.00 -0.75 0.00 0.00 64.21 63.22 2dnx n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnx n GLY 126 N 1.50 0.64 0.18 0.46 0.00 -1.26 -4.82 105.19 101.89 2dnx n GLY 126 Ca -0.13 0.84 -0.14 0.00 0.00 0.00 0.00 46.02 46.59 2dnx n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnx h PRO 127 N 14.39 0.50 -3.69 1.61 0.13 -2.04 -3.43 132.00 139.47 2dnx h PRO 127 Ca -0.32 -0.49 -0.41 0.00 -0.87 0.00 0.00 66.00 63.91 2dnx h PRO 127 Cb 1.28 0.12 -0.37 0.00 0.13 0.00 0.00 31.00 32.16 2dnx h PRO 127 CO 1.02 1.12 -0.76 -1.12 -0.23 0.00 0.00 178.00 178.04 2dnx s SER 128 N -7.09 1.32 -0.07 1.44 0.01 -1.26 -5.05 113.70 103.00 2dnx s SER 128 Ca -0.07 -0.06 -0.08 0.00 1.31 0.00 0.00 55.95 57.05 2dnx s SER 128 Cb 0.09 -0.38 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 2dnx s SER 128 CO 0.87 -0.17 0.33 0.28 0.41 0.00 0.00 173.24 174.96 2dnx h SER 129 N 8.08 -0.22 -0.01 2.44 0.02 -2.02 -3.54 113.55 118.30 2dnx h SER 129 Ca -0.24 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2dnx h SER 129 Cb 1.13 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2dnx h SER 129 CO 0.30 0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.85