#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlx s SER 2 N 0.00 6.12 0.27 1.61 0.01 -1.26 -5.08 113.70 115.38 2dlx s SER 2 Ca 0.00 1.64 0.09 0.00 1.31 0.00 0.00 55.95 58.98 2dlx s SER 2 Cb 0.00 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2dlx s SER 2 CO 0.00 -0.94 0.06 -0.55 0.41 0.00 0.00 173.24 172.23 2dlx s SER 3 N -3.23 4.80 0.00 2.44 0.15 -1.26 -5.08 113.70 111.52 2dlx s SER 3 Ca 0.60 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2dlx s SER 3 Cb -0.13 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 2dlx s SER 3 CO 0.40 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2dlx n GLY 4 N -1.00 3.14 2.85 9.45 0.00 -1.26 -5.11 105.19 113.27 2dlx n GLY 4 Ca -0.06 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 2dlx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlx s SER 5 N 0.00 0.84 -0.35 1.61 0.01 -1.26 -5.12 113.70 109.43 2dlx s SER 5 Ca 0.00 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.11 2dlx s SER 5 Cb 0.00 -0.37 0.05 0.00 0.21 0.00 0.00 66.02 65.91 2dlx s SER 5 CO 0.00 -0.08 0.12 -0.55 0.41 0.00 0.00 173.24 173.14 2dlx s SER 6 N 1.06 5.33 0.34 2.44 0.15 -1.26 -5.09 113.70 116.67 2dlx s SER 6 Ca -0.09 -1.26 -0.24 0.00 0.70 0.00 0.00 55.95 55.06 2dlx s SER 6 Cb -0.14 -1.87 -0.10 0.00 -1.71 0.00 0.00 66.02 62.20 2dlx s SER 6 CO -0.01 -0.37 0.93 -0.83 1.20 0.00 0.00 173.24 174.16 2dlx s GLY 7 N 1.52 2.69 -0.07 9.45 0.00 -1.26 -5.06 107.32 114.58 2dlx s GLY 7 Ca -0.01 0.46 0.04 0.00 0.00 0.00 0.00 44.72 45.21 2dlx s GLY 7 CO 0.02 0.86 -0.18 -0.42 0.00 0.00 0.00 173.10 173.38 2dlx s ILE 8 N -1.75 2.72 0.47 0.90 1.09 -1.26 -5.12 121.20 118.25 2dlx s ILE 8 Ca 0.53 -0.82 -0.18 0.00 -1.10 0.00 0.00 60.65 59.07 2dlx s ILE 8 Cb -0.16 -2.06 -0.09 0.00 -1.06 0.00 0.00 42.46 39.08 2dlx s ILE 8 CO 0.21 0.57 0.96 1.51 -0.10 0.00 0.00 174.94 178.08 2dlx s ASP 9 N -0.27 6.76 -0.09 3.58 1.47 -1.26 -5.07 116.67 121.77 2dlx s ASP 9 Ca 0.01 1.60 0.03 0.00 1.18 0.00 0.00 52.55 55.37 2dlx s ASP 9 Cb -0.13 -2.51 0.01 0.00 -0.34 0.00 0.00 42.92 39.94 2dlx s ASP 9 CO 0.03 -0.48 -0.20 -0.75 0.68 0.00 0.00 175.17 174.45 2dlx s LYS 10 N -3.67 2.59 -0.16 2.11 2.20 -1.26 -5.12 119.74 116.44 2dlx s LYS 10 Ca 0.60 -0.72 -0.19 0.00 -0.36 0.00 0.00 55.97 55.30 2dlx s LYS 10 Cb -0.10 -2.02 -0.03 0.00 -1.51 0.00 0.00 37.83 34.17 2dlx s LYS 10 CO 0.23 0.09 0.55 0.15 -0.36 0.00 0.00 175.35 176.02 2dlx s LYS 11 N 0.54 4.27 -0.14 4.03 1.02 -1.26 -5.05 119.74 123.15 2dlx s LYS 11 Ca -0.15 0.52 -0.05 0.00 0.02 0.00 0.00 55.97 56.30 2dlx s LYS 11 Cb -0.17 -3.51 0.07 0.00 -0.52 0.00 0.00 37.83 33.70 2dlx s LYS 11 CO 0.05 -0.04 0.30 -0.51 -0.92 0.00 0.00 175.35 174.23 2dlx s LEU 12 N 1.26 -0.30 -0.26 3.17 1.02 -1.26 -5.13 118.68 117.18 2dlx s LEU 12 Ca 0.27 0.68 0.01 0.00 0.02 0.00 0.00 54.13 55.11 2dlx s LEU 12 Cb -0.16 0.86 0.07 0.00 0.02 0.00 0.00 46.19 46.99 2dlx s LEU 12 CO 0.11 -0.23 -0.02 -0.89 0.02 0.00 0.00 176.35 175.34 2dlx s THR 13 N 2.31 1.55 -0.01 5.49 2.01 -1.26 -5.10 115.64 120.64 2dlx s THR 13 Ca -0.01 -1.40 -0.28 0.00 0.31 0.00 0.00 61.69 60.31 2dlx s THR 13 Cb -0.12 -1.90 0.09 0.00 0.01 0.00 0.00 72.50 70.59 2dlx s THR 13 CO -0.10 -0.24 0.81 0.28 -0.69 0.00 0.00 174.62 174.69 2dlx s THR 14 N 1.35 0.00 0.54 -0.82 -1.32 -1.26 -5.19 115.64 108.95 2dlx s THR 14 Ca -0.02 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.53 2dlx s THR 14 Cb -0.19 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.84 2dlx s THR 14 CO -0.09 0.00 0.46 -1.48 -2.21 0.00 0.00 174.62 171.30 2dlx s LEU 15 N -2.03 2.83 0.11 9.08 2.34 -1.26 -5.15 118.68 124.60 2dlx s LEU 15 Ca -0.00 -1.14 0.09 0.00 0.06 0.00 0.00 54.13 53.14 2dlx s LEU 15 Cb -0.01 -1.34 -0.04 0.00 -0.56 0.00 0.00 46.19 44.25 2dlx s LEU 15 CO -0.04 -1.10 -0.22 0.00 -1.06 0.00 0.00 176.35 173.93 2dlx s ALA 16 N -2.73 1.90 -0.23 1.48 0.00 -1.26 -5.05 121.76 115.87 2dlx s ALA 16 Ca 0.40 -1.28 0.08 0.00 0.00 0.00 0.00 51.96 51.16 2dlx s ALA 16 Cb -0.03 -0.27 -0.20 0.00 0.00 0.00 0.00 23.12 22.62 2dlx s ALA 16 CO 0.25 0.39 -0.10 -0.25 0.00 0.00 0.00 175.76 176.05 2dlx n ASP 17 N 1.07 1.20 -4.74 0.00 8.00 -1.26 -4.95 116.55 115.87 2dlx n ASP 17 Ca -0.19 -0.08 -0.41 0.00 0.71 0.00 0.00 54.79 54.82 2dlx n ASP 17 Cb 0.53 0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.73 2dlx n ASP 17 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2dlx s LEU 18 N -6.12 4.48 -0.03 0.64 2.34 -1.26 -4.93 118.68 113.80 2dlx s LEU 18 Ca -0.25 2.17 0.01 0.00 0.06 0.00 0.00 54.13 56.12 2dlx s LEU 18 Cb 0.08 -3.61 -0.02 0.00 -0.56 0.00 0.00 46.19 42.08 2dlx s LEU 18 CO 0.69 -0.27 -0.02 0.49 -1.06 0.00 0.00 176.35 176.19 2dlx n PHE 19 N 2.23 0.00 -1.82 3.48 3.01 -1.26 -5.05 117.46 118.04 2dlx n PHE 19 Ca 0.03 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.15 2dlx n PHE 19 Cb 0.45 -0.10 0.04 0.00 -0.01 0.00 0.00 39.48 39.86 2dlx n PHE 19 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2dlx s ARG 20 N -2.05 2.83 0.49 -1.08 1.81 -1.26 -5.00 118.95 114.69 2dlx s ARG 20 Ca -0.03 1.51 -0.22 0.00 -1.72 0.00 0.00 55.73 55.27 2dlx s ARG 20 Cb 0.01 -1.94 -0.07 0.00 -0.45 0.00 0.00 34.95 32.50 2dlx s ARG 20 CO 0.07 -1.25 1.15 -1.25 -0.68 0.00 0.00 175.30 173.34 2dlx s PRO 21 N -3.87 3.62 0.00 3.54 0.04 -1.26 -4.89 135.00 132.18 2dlx s PRO 21 Ca 0.70 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2dlx s PRO 21 Cb -0.23 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.04 2dlx s PRO 21 CO 0.39 -0.65 0.38 -0.35 0.04 0.00 0.00 177.00 176.81 2dlx n PRO 22 N -0.77 0.49 -0.51 0.56 -0.04 -1.26 -4.18 135.00 129.29 2dlx n PRO 22 Ca 0.09 0.00 0.40 0.00 -0.04 0.00 0.00 63.50 63.95 2dlx n PRO 22 Cb 0.49 -1.10 0.64 0.00 -0.04 0.00 0.00 33.50 33.49 2dlx n PRO 22 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2dlx n ILE 23 N -0.18 -0.10 -0.08 0.52 -5.35 -1.26 0.19 119.36 113.10 2dlx n ILE 23 Ca 0.00 1.38 -0.09 0.00 -0.27 0.00 0.00 62.75 63.76 2dlx n ILE 23 Cb 0.05 -2.27 -0.02 0.00 -1.74 0.00 0.00 39.64 35.65 2dlx n ILE 23 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2dlx h ASP 24 N 0.00 0.32 -0.73 7.28 3.58 -1.99 -2.75 116.42 122.13 2dlx h ASP 24 Ca 0.77 -0.04 0.06 0.00 0.42 0.00 0.00 57.03 58.24 2dlx h ASP 24 Cb 2.83 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 43.74 2dlx h ASP 24 CO -0.18 0.27 0.43 0.25 -2.88 0.00 0.00 179.24 177.12 2dlx h LEU 25 N 0.35 0.67-10.29 2.28 6.46 0.17 -3.43 115.31 111.52 2dlx h LEU 25 Ca 0.10 0.02 -0.41 0.00 -0.12 0.00 0.00 57.88 57.47 2dlx h LEU 25 Cb 0.00 -0.11 0.20 0.00 -0.73 0.00 0.00 40.66 40.02 2dlx h LEU 25 CO -0.02 0.43 0.06 -0.04 -0.62 0.00 0.00 178.44 178.25 2dlx s MET 26 N -6.09 -1.73 0.45 1.25 -1.94 -1.04 -4.40 119.30 105.81 2dlx s MET 26 Ca -0.13 0.01 0.07 0.00 -1.71 0.00 0.00 55.69 53.93 2dlx s MET 26 Cb 0.17 -1.53 -0.00 0.00 2.01 0.00 0.00 34.83 35.48 2dlx s MET 26 CO 0.77 -4.06 0.41 -1.58 -0.01 0.00 0.00 175.02 170.55 2dlx s HIS 27 N -2.79 2.38 0.07 -0.03 2.46 -1.00 -4.95 115.29 111.44 2dlx s HIS 27 Ca 0.70 -0.59 0.01 0.00 0.47 0.00 0.00 55.06 55.66 2dlx s HIS 27 Cb -0.11 -2.12 -0.04 0.00 -0.13 0.00 0.00 32.58 30.19 2dlx s HIS 27 CO 0.57 -0.26 -0.06 0.15 -2.47 0.00 0.00 174.74 172.67 2dlx s LYS 28 N -4.20 0.70 0.00 2.88 -0.14 -1.26 -5.02 119.74 112.70 2dlx s LYS 28 Ca 0.46 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.90 2dlx s LYS 28 Cb -0.03 -0.09 0.00 0.00 -1.68 0.00 0.00 37.83 36.03 2dlx s LYS 28 CO 0.27 -0.03 0.00 0.41 -0.76 0.00 0.00 175.35 175.24 2dlx n GLY 29 N 0.32 0.62 3.48 -3.33 0.00 -1.26 -4.75 105.19 100.28 2dlx n GLY 29 Ca -0.15 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 2dlx n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlx s SER 30 N -4.00 3.49 0.24 1.61 1.04 -1.26 -5.01 113.70 109.82 2dlx s SER 30 Ca 0.00 -1.10 -0.08 0.00 0.48 0.00 0.00 55.95 55.25 2dlx s SER 30 Cb 0.00 -0.29 0.39 0.00 0.10 0.00 0.00 66.02 66.22 2dlx s SER 30 CO 0.00 -0.09 1.38 2.22 0.98 0.00 0.00 173.24 177.73 2dlx n PHE 31 N -0.66 0.30 0.09 5.02 -1.74 -1.26 -0.17 117.46 119.04 2dlx n PHE 31 Ca -0.05 1.08 -0.15 0.00 -0.56 0.00 0.00 57.45 57.77 2dlx n PHE 31 Cb 0.62 -1.00 -0.08 0.00 1.52 0.00 0.00 39.48 40.53 2dlx n PHE 31 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 2dlx h GLU 32 N 0.00 -0.65 -0.94 3.97 4.57 -2.00 -1.47 114.58 118.05 2dlx h GLU 32 Ca 0.42 0.04 0.29 0.00 -1.18 0.00 0.00 59.36 58.93 2dlx h GLU 32 Cb 0.64 0.15 -0.15 0.00 -0.16 0.00 0.00 28.75 29.22 2dlx h GLU 32 CO -0.91 -0.44 0.35 1.15 -1.18 0.00 0.00 179.01 177.98 2dlx h THR 33 N -0.68 0.23 -0.26 0.32 2.02 -0.92 0.24 112.91 113.87 2dlx h THR 33 Ca 0.02 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.19 2dlx h THR 33 Cb 0.71 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 2dlx h THR 33 CO -0.29 0.04 -0.11 0.00 0.37 0.00 0.00 175.52 175.52 2dlx h ALA 34 N 1.85 0.10 -0.23 6.16 0.00 -0.83 -1.13 119.26 125.18 2dlx h ALA 34 Ca 0.65 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.61 2dlx h ALA 34 Cb 1.43 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2dlx h ALA 34 CO -0.69 -0.52 -0.03 0.87 0.00 0.00 0.00 179.25 178.88 2dlx h LYS 35 N -0.07 0.43 -0.31 0.00 1.57 -0.42 -3.22 116.57 114.55 2dlx h LYS 35 Ca 0.13 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2dlx h LYS 35 Cb 0.28 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 2dlx h LYS 35 CO -0.31 0.64 -0.37 0.93 -0.57 0.00 0.00 179.45 179.77 2dlx h GLU 36 N 0.18 -0.33 -0.77 3.15 4.39 -0.59 -1.33 114.58 119.29 2dlx h GLU 36 Ca 0.06 0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.94 2dlx h GLU 36 Cb 0.46 0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 29.04 2dlx h GLU 36 CO 0.02 -0.22 -0.19 0.00 -1.16 0.00 0.00 179.01 177.45 2dlx h GLY 38 N -0.00 1.24 0.09 0.00 0.00 -1.25 0.53 103.07 103.68 2dlx h GLY 38 Ca 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2dlx h GLY 38 CO -0.79 -0.30 -0.04 1.46 0.00 0.00 0.00 176.54 176.87 2dlx h GLN 39 N 0.19 -0.11 -0.10 4.80 4.20 -0.22 0.16 115.11 124.03 2dlx h GLN 39 Ca 0.73 0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.49 2dlx h GLN 39 Cb 2.19 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 29.94 2dlx h GLN 39 CO -0.36 -0.08 -0.30 0.52 -0.67 0.00 0.00 178.83 177.94 2dlx h MET 40 N -0.27 -0.38 0.00 1.46 2.86 -1.24 -0.07 114.93 117.29 2dlx h MET 40 Ca -0.01 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2dlx h MET 40 Cb 0.09 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2dlx h MET 40 CO 0.02 -0.25 -0.12 1.96 1.06 0.00 0.00 176.91 179.58 2dlx h GLN 41 N -0.40 0.00 -5.17 1.72 4.20 -0.11 -3.47 115.11 111.89 2dlx h GLN 41 Ca 0.09 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.50 2dlx h GLN 41 Cb 0.53 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.45 2dlx h GLN 41 CO -0.32 0.12 -0.65 0.09 -0.67 0.00 0.00 178.83 177.40 2dlx n ASN 42 N -3.44 -2.85 -4.20 1.46 3.02 0.41 -5.01 115.26 104.65 2dlx n ASN 42 Ca -0.01 -0.52 -0.18 0.00 -0.03 0.00 0.00 54.58 53.84 2dlx n ASN 42 Cb 0.28 -4.49 -0.11 0.00 -0.61 0.00 0.00 39.78 34.84 2dlx n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dlx s LYS 43 N -5.39 0.91 0.89 3.52 1.02 -0.29 -4.70 119.74 115.70 2dlx s LYS 43 Ca 0.11 -1.10 -0.11 0.00 0.02 0.00 0.00 55.97 54.90 2dlx s LYS 43 Cb -0.05 -0.82 0.13 0.00 -0.52 0.00 0.00 37.83 36.57 2dlx s LYS 43 CO 0.63 0.17 1.11 -1.58 -0.92 0.00 0.00 175.35 174.76 2dlx s TRP 44 N -1.77 1.98 -0.24 3.18 0.52 -0.56 -4.44 118.94 117.61 2dlx s TRP 44 Ca 0.03 1.60 -0.04 0.00 0.02 0.00 0.00 56.10 57.72 2dlx s TRP 44 Cb -0.07 -3.21 -0.00 0.00 -1.15 0.00 0.00 33.47 29.04 2dlx s TRP 44 CO 0.02 -2.54 -0.02 -1.17 0.02 0.00 0.00 176.95 173.27 2dlx s LEU 45 N -6.40 3.16 -0.28 2.99 2.96 -1.19 -1.39 118.68 118.52 2dlx s LEU 45 Ca 0.65 -0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 53.92 2dlx s LEU 45 Cb -0.21 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 2dlx s LEU 45 CO 0.58 -0.07 0.21 -0.32 -1.32 0.00 0.00 176.35 175.42 2dlx s MET 46 N 1.46 3.96 -0.17 1.98 -2.45 -1.23 -2.75 119.30 120.09 2dlx s MET 46 Ca 0.04 -0.29 -0.06 0.00 -1.25 0.00 0.00 55.69 54.14 2dlx s MET 46 Cb -0.15 -3.66 -0.03 0.00 1.25 0.00 0.00 34.83 32.23 2dlx s MET 46 CO -0.02 -0.19 0.02 0.42 1.05 0.00 0.00 175.02 176.30 2dlx s ILE 47 N 1.78 4.37 -0.08 10.11 -1.09 -1.17 -3.66 121.20 131.46 2dlx s ILE 47 Ca 0.08 -0.18 -0.01 0.00 -2.23 0.00 0.00 60.65 58.30 2dlx s ILE 47 Cb -0.16 -2.95 0.03 0.00 -1.58 0.00 0.00 42.46 37.80 2dlx s ILE 47 CO 0.11 0.47 0.01 0.20 -1.23 0.00 0.00 174.94 174.49 2dlx s ASN 48 N 0.44 1.65 -0.15 3.58 0.02 -1.21 -3.81 114.94 115.46 2dlx s ASN 48 Ca 0.00 -0.12 -0.14 0.00 -1.02 0.00 0.00 52.86 51.58 2dlx s ASN 48 Cb -0.13 -0.43 -0.05 0.00 0.02 0.00 0.00 41.25 40.66 2dlx s ASN 48 CO 0.02 -0.20 0.29 -0.63 0.02 0.00 0.00 177.10 176.59 2dlx s ILE 49 N 1.98 5.30 -0.29 0.60 -1.09 -1.26 -3.33 121.20 123.11 2dlx s ILE 49 Ca 0.05 0.55 -0.07 0.00 -2.23 0.00 0.00 60.65 58.95 2dlx s ILE 49 Cb -0.13 -3.63 0.01 0.00 -1.58 0.00 0.00 42.46 37.14 2dlx s ILE 49 CO -0.05 0.41 0.07 -1.10 -1.23 0.00 0.00 174.94 173.04 2dlx s GLN 50 N 0.33 3.12 -0.38 2.79 -0.21 -1.21 -4.81 119.66 119.28 2dlx s GLN 50 Ca 0.17 -0.84 -0.25 0.00 0.02 0.00 0.00 55.36 54.46 2dlx s GLN 50 Cb -0.13 -3.35 0.01 0.00 1.00 0.00 0.00 33.01 30.54 2dlx s GLN 50 CO 0.04 -0.43 0.86 0.54 -2.12 0.00 0.00 175.29 174.18 2dlx s ASN 51 N 1.50 6.60 0.51 5.90 2.20 -1.26 -3.81 114.94 126.57 2dlx s ASN 51 Ca 0.03 0.42 0.15 0.00 -0.94 0.00 0.00 52.86 52.52 2dlx s ASN 51 Cb -0.17 -2.43 1.22 0.00 -2.00 0.00 0.00 41.25 37.87 2dlx s ASN 51 CO 0.02 -0.82 2.13 1.62 -2.94 0.00 0.00 177.10 177.12 2dlx h VAL 52 N 5.82 1.02 0.00 3.54 3.04 -2.00 -3.21 116.25 124.45 2dlx h VAL 52 Ca -0.24 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2dlx h VAL 52 Cb 1.09 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2dlx h VAL 52 CO 0.95 0.02 -0.15 1.56 -1.01 0.00 0.00 177.57 178.95 2dlx h GLN 53 N 0.04 0.00 -7.25 4.17 4.20 -2.05 -3.47 115.11 110.75 2dlx h GLN 53 Ca 0.01 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.20 2dlx h GLN 53 Cb 0.01 0.00 0.14 0.00 0.30 0.00 0.00 27.48 27.94 2dlx h GLN 53 CO -0.00 0.00 0.32 -0.51 -0.67 0.00 0.00 178.83 177.97 2dlx s ASP 54 N -5.08 4.23 -0.01 1.46 1.01 -1.21 -4.98 116.67 112.09 2dlx s ASP 54 Ca -0.04 2.05 0.02 0.00 0.71 0.00 0.00 52.55 55.29 2dlx s ASP 54 Cb 0.01 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 2dlx s ASP 54 CO 0.06 -2.22 0.03 0.49 0.21 0.00 0.00 175.17 173.74 2dlx n PHE 55 N -3.27 0.00 0.30 4.23 3.01 -1.26 -4.60 117.46 115.86 2dlx n PHE 55 Ca 0.11 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.64 2dlx n PHE 55 Cb 0.52 -0.09 0.38 0.00 -0.01 0.00 0.00 39.48 40.29 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dlx h ALA 56 N 0.17 1.58 0.00 4.37 0.00 -1.94 0.27 119.26 123.72 2dlx h ALA 56 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2dlx h ALA 56 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2dlx h ALA 56 CO 0.00 -0.58 -0.88 0.00 0.00 0.00 0.00 179.25 177.80 2dlx h GLN 58 N -1.00 1.25 -1.31 0.00 -0.00 -1.35 -1.84 115.11 110.85 2dlx h GLN 58 Ca -0.15 -0.08 0.38 0.00 -0.00 0.00 0.00 58.65 58.80 2dlx h GLN 58 Cb 0.86 -0.28 -0.07 0.00 -0.00 0.00 0.00 27.48 27.98 2dlx h GLN 58 CO -0.09 0.83 0.91 0.00 -0.00 0.00 0.00 178.83 180.48 2dlx h LEU 60 N 0.09 0.62 -0.81 0.00 4.07 -1.52 -1.70 115.31 116.06 2dlx h LEU 60 Ca 0.67 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.55 2dlx h LEU 60 Cb 2.42 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 44.01 2dlx h LEU 60 CO -0.13 0.53 0.38 -1.13 -1.08 0.00 0.00 178.44 177.02 2dlx h ASN 61 N 0.66 0.00 0.57 -0.43 -0.73 -0.26 0.45 115.58 115.85 2dlx h ASN 61 Ca 0.18 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 2dlx h ASN 61 Cb 0.05 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.64 2dlx h ASN 61 CO -0.03 0.00 -0.27 -0.09 -0.37 0.00 0.00 177.43 176.67 2dlx h ARG 62 N 0.00 -0.73 0.00 6.67 9.65 -1.38 -2.99 114.38 125.59 2dlx h ARG 62 Ca 0.00 0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.89 2dlx h ARG 62 Cb 0.77 0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.51 2dlx h ARG 62 CO 0.00 -0.49 -1.15 -3.47 2.80 0.00 0.00 179.97 177.66 2dlx n ASP 63 N -4.41 3.94 0.00 -3.80 2.03 -0.70 -4.28 116.55 109.32 2dlx n ASP 63 Ca -0.09 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2dlx n ASP 63 Cb 0.30 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 2dlx n ASP 63 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2dlx n VAL 64 N -2.48 0.00 -0.03 5.18 0.31 0.15 -1.20 118.33 120.26 2dlx n VAL 64 Ca -0.04 1.38 -0.15 0.00 -0.01 0.00 0.00 64.34 65.52 2dlx n VAL 64 Cb 0.55 -2.10 -0.09 0.00 -0.91 0.00 0.00 33.84 31.29 2dlx n VAL 64 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 2dlx h TRP 65 N 0.00 0.45 -1.38 3.52 -0.00 -1.71 -3.18 115.95 113.65 2dlx h TRP 65 Ca 0.00 -0.18 0.43 0.00 -0.00 0.00 0.00 58.89 59.14 2dlx h TRP 65 Cb 0.00 -0.07 -0.11 0.00 -0.00 0.00 0.00 29.16 28.97 2dlx h TRP 65 CO -0.31 0.90 0.92 1.03 -0.00 0.00 0.00 178.44 180.98 2dlx h SER 66 N -0.14 0.21 -1.42 -3.49 0.87 -1.56 -3.37 113.55 104.65 2dlx h SER 66 Ca -0.01 0.10 -0.62 0.00 -1.23 0.00 0.00 61.79 60.03 2dlx h SER 66 Cb 0.92 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 2dlx h SER 66 CO 0.06 -0.12 1.48 -3.20 -0.53 0.00 0.00 176.83 174.52 2dlx n ASN 67 N -4.54 2.49 -0.18 6.23 2.85 -0.34 -4.83 115.26 116.94 2dlx n ASN 67 Ca 0.36 0.25 -0.04 0.00 -0.11 0.00 0.00 54.58 55.04 2dlx n ASN 67 Cb 1.46 -1.39 0.02 0.00 1.24 0.00 0.00 39.78 41.11 2dlx n ASN 67 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2dlx h GLU 68 N 13.98 -0.12 -0.72 1.20 4.57 -1.90 0.36 114.58 131.94 2dlx h GLU 68 Ca -0.31 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.04 2dlx h GLU 68 Cb 1.29 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.78 2dlx h GLU 68 CO 1.02 -0.08 0.02 0.00 -1.18 0.00 0.00 179.01 178.80 2dlx h ALA 69 N 1.18 0.76 -0.52 2.92 0.00 -1.92 0.40 119.26 122.09 2dlx h ALA 69 Ca 0.24 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 2dlx h ALA 69 Cb 0.52 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2dlx h ALA 69 CO -0.63 -0.41 0.14 0.28 0.00 0.00 0.00 179.25 178.63 2dlx h VAL 70 N 0.12 1.24 0.61 0.00 2.07 -1.30 -2.85 116.25 116.13 2dlx h VAL 70 Ca 0.39 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2dlx h VAL 70 Cb 0.67 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2dlx h VAL 70 CO -0.61 0.30 -0.29 0.11 0.02 0.00 0.00 177.57 177.10 2dlx h LYS 71 N 0.72 -0.78 -1.75 1.57 1.57 0.60 -0.56 116.57 117.93 2dlx h LYS 71 Ca 0.16 0.05 0.51 0.00 -1.87 0.00 0.00 60.65 59.51 2dlx h LYS 71 Cb 0.32 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 2dlx h LYS 71 CO -0.00 -0.52 1.26 -0.91 -0.57 0.00 0.00 179.45 178.71 2dlx h ASN 72 N -0.97 0.01 0.01 0.86 2.35 -0.37 0.46 115.58 117.92 2dlx h ASN 72 Ca -0.08 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 2dlx h ASN 72 Cb 0.62 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 2dlx h ASN 72 CO 0.14 -0.00 -0.16 0.40 -1.65 0.00 0.00 177.43 176.15 2dlx h ILE 73 N 0.00 1.71 0.00 2.81 2.04 -1.27 -1.16 117.51 121.63 2dlx h ILE 73 Ca 0.84 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 64.35 2dlx h ILE 73 Cb 3.35 3.29 0.00 0.00 -0.74 0.00 0.00 36.82 42.72 2dlx h ILE 73 CO -0.02 0.59 0.00 0.40 0.00 0.00 0.00 178.15 179.13 2dlx h ILE 74 N -0.95 0.00 0.02 -0.67 2.04 0.14 0.29 117.51 118.39 2dlx h ILE 74 Ca -0.04 -0.10 -0.38 0.00 1.00 0.00 0.00 64.86 65.34 2dlx h ILE 74 Cb 1.07 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 2dlx h ILE 74 CO -0.01 0.00 -2.18 -2.11 0.00 0.00 0.00 178.15 173.85 2dlx n ARG 75 N -2.59 0.64 0.00 2.37 1.85 0.46 -1.39 116.66 117.99 2dlx n ARG 75 Ca -0.01 0.29 -0.01 0.00 -1.00 0.00 0.00 57.85 57.12 2dlx n ARG 75 Cb 0.11 -1.59 -0.00 0.00 -1.05 0.00 0.00 32.46 29.93 2dlx n ARG 75 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2dlx h GLU 76 N -0.49 -0.06 -0.44 2.89 4.81 -0.93 -3.39 114.58 116.97 2dlx h GLU 76 Ca -0.55 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.62 2dlx h GLU 76 Cb 1.73 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.10 2dlx h GLU 76 CO -0.19 -0.04 0.03 0.45 -0.73 0.00 0.00 179.01 178.53 2dlx h HIS 77 N -0.58 0.82 -0.41 0.92 3.86 -0.66 -3.46 115.15 115.64 2dlx h HIS 77 Ca -0.01 -0.13 -0.66 0.00 -1.16 0.00 0.00 60.37 58.41 2dlx h HIS 77 Cb 0.05 -0.22 -0.11 0.00 1.06 0.00 0.00 27.41 28.19 2dlx h HIS 77 CO 0.01 0.80 -0.47 -0.06 0.86 0.00 0.00 177.93 179.07 2dlx s PHE 78 N -5.07 1.82 -0.42 2.45 0.40 -0.49 -1.49 117.98 115.17 2dlx s PHE 78 Ca -0.13 -0.93 -0.07 0.00 -0.60 0.00 0.00 56.93 55.21 2dlx s PHE 78 Cb 0.11 -1.68 0.10 0.00 0.51 0.00 0.00 43.02 42.06 2dlx s PHE 78 CO 0.80 0.09 0.25 0.42 0.70 0.00 0.00 175.22 177.48 2dlx s ILE 79 N -2.85 3.82 -0.30 0.64 -1.09 -0.49 -2.98 121.20 117.95 2dlx s ILE 79 Ca 0.12 -1.74 -0.30 0.00 -2.23 0.00 0.00 60.65 56.49 2dlx s ILE 79 Cb 0.01 -3.48 -0.07 0.00 -1.58 0.00 0.00 42.46 37.34 2dlx s ILE 79 CO 0.07 -0.63 2.24 0.33 -1.23 0.00 0.00 174.94 175.72 2dlx n PHE 80 N 4.78 1.78 -3.63 3.97 -0.00 -0.49 -3.51 117.46 120.37 2dlx n PHE 80 Ca -0.07 0.03 -0.25 0.00 -0.00 0.00 0.00 57.45 57.15 2dlx n PHE 80 Cb 0.42 -2.65 -0.17 0.00 -0.00 0.00 0.00 39.48 37.07 2dlx n PHE 80 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.76 176.30 2dlx s TRP 81 N 8.41 0.23 -0.13 -5.13 -0.00 -1.24 -2.38 118.94 118.70 2dlx s TRP 81 Ca 1.04 -0.28 0.01 0.00 -0.00 0.00 0.00 56.10 56.87 2dlx s TRP 81 Cb -0.50 -0.69 -0.01 0.00 -0.00 0.00 0.00 33.47 32.28 2dlx s TRP 81 CO 0.39 -0.48 -0.16 -1.14 -0.00 0.00 0.00 176.95 175.56 2dlx s GLN 82 N 2.13 3.29 0.01 5.86 0.74 -1.26 -3.35 119.66 127.07 2dlx s GLN 82 Ca 0.02 -0.74 0.00 0.00 0.05 0.00 0.00 55.36 54.69 2dlx s GLN 82 Cb -0.16 -2.55 -0.01 0.00 1.10 0.00 0.00 33.01 31.39 2dlx s GLN 82 CO -0.08 0.18 -0.02 0.14 -0.55 0.00 0.00 175.29 174.96 2dlx s VAL 83 N 0.40 0.07 0.55 1.34 -7.23 -1.21 -5.04 120.40 109.27 2dlx s VAL 83 Ca -0.12 -0.55 -0.18 0.00 -1.81 0.00 0.00 61.98 59.32 2dlx s VAL 83 Cb -0.16 -0.17 -0.06 0.00 0.56 0.00 0.00 36.38 36.55 2dlx s VAL 83 CO 0.06 -0.30 1.06 -0.31 -0.31 0.00 0.00 175.10 175.30 2dlx s TYR 84 N -0.87 2.93 -1.59 2.82 1.51 -1.26 -3.36 117.35 117.53 2dlx s TYR 84 Ca -0.09 1.54 0.01 0.00 -1.01 0.00 0.00 57.07 57.51 2dlx s TYR 84 Cb -0.06 -3.08 0.02 0.00 -0.11 0.00 0.00 41.96 38.74 2dlx s TYR 84 CO -0.01 -1.09 0.83 -2.39 -1.11 0.00 0.00 175.55 171.78 2dlx n HIS 85 N -1.52 0.04 -0.04 2.71 1.44 -1.25 -3.24 115.22 113.36 2dlx n HIS 85 Ca 0.09 -0.02 -0.05 0.00 -2.01 0.00 0.00 57.72 55.74 2dlx n HIS 85 Cb 0.52 -0.04 -0.05 0.00 0.12 0.00 0.00 29.99 30.54 2dlx n HIS 85 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2dlx n ASP 86 N -0.25 3.23 -4.60 4.39 8.00 -1.26 -4.39 116.55 121.67 2dlx n ASP 86 Ca 0.01 -0.02 -0.28 0.00 0.71 0.00 0.00 54.79 55.20 2dlx n ASP 86 Cb 0.12 0.31 0.21 0.00 -0.02 0.00 0.00 41.12 41.74 2dlx n ASP 86 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2dlx s SER 87 N -4.35 1.89 0.10 -2.24 1.04 -1.20 -4.72 113.70 104.22 2dlx s SER 87 Ca -0.08 1.31 -0.32 0.00 0.48 0.00 0.00 55.95 57.34 2dlx s SER 87 Cb 0.03 -2.03 -0.13 0.00 0.10 0.00 0.00 66.02 63.99 2dlx s SER 87 CO 0.26 -3.61 1.59 -0.08 0.98 0.00 0.00 173.24 172.38 2dlx h GLU 88 N -2.22 -0.74 -0.39 4.02 4.81 -1.96 -1.69 114.58 116.42 2dlx h GLU 88 Ca -0.58 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 2dlx h GLU 88 Cb 1.33 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.81 2dlx h GLU 88 CO 0.55 -0.49 -0.48 0.93 -0.73 0.00 0.00 179.01 178.78 2dlx h GLU 89 N -0.77 -0.31 -0.37 1.92 5.08 -1.92 -2.04 114.58 116.17 2dlx h GLU 89 Ca -0.01 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2dlx h GLU 89 Cb 0.72 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.96 2dlx h GLU 89 CO -0.14 -0.21 -0.44 0.78 -1.00 0.00 0.00 179.01 178.01 2dlx h GLY 90 N -0.32 -0.61 -0.81 -3.84 0.00 -1.57 -1.11 103.07 94.81 2dlx h GLY 90 Ca 0.07 0.55 0.19 0.00 0.00 0.00 0.00 47.33 48.14 2dlx h GLY 90 CO -0.53 -0.18 -0.21 1.46 0.00 0.00 0.00 176.54 177.07 2dlx h GLN 91 N -0.35 0.00 0.63 4.80 1.08 -0.63 -0.60 115.11 120.05 2dlx h GLN 91 Ca 0.13 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 2dlx h GLN 91 Cb 0.59 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 2dlx h GLN 91 CO -0.55 0.00 -0.49 0.00 -0.95 0.00 0.00 178.83 176.84 2dlx h ARG 92 N 0.00 -1.04 -0.94 1.46 3.08 -0.64 -2.67 114.38 113.63 2dlx h ARG 92 Ca 0.44 0.07 0.13 0.00 0.07 0.00 0.00 59.98 60.69 2dlx h ARG 92 Cb 0.69 0.24 -0.14 0.00 0.08 0.00 0.00 29.97 30.84 2dlx h ARG 92 CO -0.93 -0.70 -0.45 -0.92 -1.07 0.00 0.00 179.97 175.90 2dlx h TYR 93 N -1.08 -1.35 -0.33 3.04 3.20 -0.60 0.17 116.97 120.01 2dlx h TYR 93 Ca -0.08 0.11 0.05 0.00 3.14 0.00 0.00 58.73 61.94 2dlx h TYR 93 Cb 0.90 0.72 -0.08 0.00 1.54 0.00 0.00 36.73 39.82 2dlx h TYR 93 CO -0.18 -0.40 -0.53 0.82 -1.64 0.00 0.00 178.16 176.24 2dlx h ILE 94 N -0.03 0.02 -0.89 1.81 2.04 -1.21 0.47 117.51 119.72 2dlx h ILE 94 Ca 0.27 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.24 2dlx h ILE 94 Cb 0.54 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 2dlx h ILE 94 CO -0.93 0.00 0.57 1.56 0.00 0.00 0.00 178.15 179.35 2dlx h GLN 95 N -0.44 0.80 -0.76 2.37 1.08 -0.72 1.46 115.11 118.91 2dlx h GLN 95 Ca 0.07 -0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.30 2dlx h GLN 95 Cb 0.62 -0.18 -0.10 0.00 -0.05 0.00 0.00 27.48 27.77 2dlx h GLN 95 CO -0.55 0.53 -0.52 0.35 -0.95 0.00 0.00 178.83 177.69 2dlx h PHE 96 N 0.82 -1.66 -0.25 2.96 3.04 0.16 -2.19 116.94 119.82 2dlx h PHE 96 Ca 0.42 0.11 0.00 0.00 3.98 0.00 0.00 57.97 62.48 2dlx h PHE 96 Cb 0.50 0.83 0.00 0.00 2.56 0.00 0.00 35.95 39.83 2dlx h PHE 96 CO -0.00 -0.36 0.00 0.66 -2.02 0.00 0.00 178.31 176.59 2dlx n TYR 97 N -5.05 0.60 -3.79 0.41 4.02 -1.05 -4.97 117.16 107.33 2dlx n TYR 97 Ca 0.00 -0.70 -0.27 0.00 -0.01 0.00 0.00 57.90 56.92 2dlx n TYR 97 Cb 0.25 -0.16 0.04 0.00 -0.02 0.00 0.00 39.34 39.45 2dlx n TYR 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2dlx n LYS 98 N -0.17 -6.27 -1.20 -0.72 4.01 0.47 -4.92 118.16 109.36 2dlx n LYS 98 Ca 0.15 0.68 -0.35 0.00 -0.51 0.00 0.00 58.31 58.28 2dlx n LYS 98 Cb 0.63 -5.60 0.10 0.00 -0.51 0.00 0.00 35.03 29.66 2dlx n LYS 98 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2dlx n LEU 99 N -4.74 3.34 -1.74 -0.35 0.00 0.42 -4.95 117.00 108.97 2dlx n LEU 99 Ca -0.00 0.60 -0.01 0.00 0.00 0.00 0.00 56.01 56.60 2dlx n LEU 99 Cb 0.55 -1.42 0.04 0.00 0.00 0.00 0.00 43.42 42.59 2dlx n LEU 99 CO 0.72 -2.12 0.36 0.61 0.00 0.00 0.00 177.39 176.95 2dlx n GLY 100 N 0.96 0.11 3.42 -3.96 0.00 -1.26 -4.86 105.19 99.61 2dlx n GLY 100 Ca 0.12 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2dlx n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dlx s ASP 101 N -0.42 -0.54 0.02 1.61 1.01 -1.26 -5.18 116.67 111.91 2dlx s ASP 101 Ca 0.03 0.11 -0.12 0.00 0.71 0.00 0.00 52.55 53.28 2dlx s ASP 101 Cb 0.14 0.57 0.01 0.00 1.01 0.00 0.00 42.92 44.65 2dlx s ASP 101 CO -0.04 -0.87 0.26 -0.36 0.21 0.00 0.00 175.17 174.37 2dlx s PHE 102 N -3.17 -0.07 0.59 4.23 0.08 -1.26 -4.06 117.98 114.32 2dlx s PHE 102 Ca -0.02 -0.02 -0.18 0.00 0.12 0.00 0.00 56.93 56.84 2dlx s PHE 102 Cb -0.01 0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.46 2dlx s PHE 102 CO -0.08 -0.43 1.12 -1.25 -0.10 0.00 0.00 175.22 174.48 2dlx s PRO 103 N -2.09 3.13 -0.05 0.24 0.04 -1.26 -5.03 135.00 129.99 2dlx s PRO 103 Ca -0.08 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2dlx s PRO 103 Cb -0.03 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2dlx s PRO 103 CO -0.01 -1.01 -0.02 -0.47 0.04 0.00 0.00 177.00 175.53 2dlx s TYR 104 N -2.00 0.60 -0.13 0.56 6.14 -1.26 -4.71 117.35 116.55 2dlx s TYR 104 Ca 0.70 -0.13 -0.06 0.00 0.64 0.00 0.00 57.07 58.22 2dlx s TYR 104 Cb -0.22 -0.63 0.06 0.00 0.42 0.00 0.00 41.96 41.59 2dlx s TYR 104 CO 0.33 -0.21 0.30 0.08 0.64 0.00 0.00 175.55 176.69 2dlx s VAL 105 N 1.22 -0.17 0.05 3.14 1.01 -1.13 -4.04 120.40 120.48 2dlx s VAL 105 Ca -0.07 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 2dlx s VAL 105 Cb -0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 2dlx s VAL 105 CO -0.02 0.07 0.04 -0.55 0.00 0.00 0.00 175.10 174.65 2dlx s SER 106 N 1.66 0.30 -0.18 3.32 0.15 -1.25 -2.36 113.70 115.34 2dlx s SER 106 Ca -0.06 -0.73 -0.03 0.00 0.70 0.00 0.00 55.95 55.83 2dlx s SER 106 Cb -0.10 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.41 2dlx s SER 106 CO -0.10 -0.55 -0.06 -0.63 1.20 0.00 0.00 173.24 173.11 2dlx s ILE 107 N -3.15 3.50 0.23 6.45 1.01 -1.17 -3.05 121.20 125.01 2dlx s ILE 107 Ca -0.00 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.24 2dlx s ILE 107 Cb 0.02 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2dlx s ILE 107 CO -0.07 0.47 0.11 -0.76 0.00 0.00 0.00 174.94 174.69 2dlx s LEU 108 N 0.86 3.59 -0.20 2.97 1.43 -1.11 -1.20 118.68 125.03 2dlx s LEU 108 Ca -0.01 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2dlx s LEU 108 Cb -0.15 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 2dlx s LEU 108 CO 0.01 0.01 0.23 -0.62 0.23 0.00 0.00 176.35 176.21 2dlx s ASP 109 N -3.55 6.29 0.00 2.29 -1.08 -1.11 -3.19 116.67 116.32 2dlx s ASP 109 Ca 0.31 0.33 0.15 0.00 -0.52 0.00 0.00 52.55 52.82 2dlx s ASP 109 Cb -0.08 -2.14 0.71 0.00 -1.46 0.00 0.00 42.92 39.94 2dlx s ASP 109 CO 0.23 0.09 1.42 -0.81 0.52 0.00 0.00 175.17 176.62 2dlx n PRO 110 N 3.83 0.15 -0.11 4.34 -0.04 -1.26 0.72 135.00 142.62 2dlx n PRO 110 Ca -0.13 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 2dlx n PRO 110 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 2dlx n PRO 110 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dlx n ARG 111 N -1.35 0.56 -0.09 0.54 1.74 -1.26 -4.60 116.66 112.20 2dlx n ARG 111 Ca 0.06 0.38 -0.23 0.00 -0.77 0.00 0.00 57.85 57.29 2dlx n ARG 111 Cb 0.13 -1.58 -0.12 0.00 -1.02 0.00 0.00 32.46 29.87 2dlx n ARG 111 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dlx n THR 112 N -4.37 1.60 -1.18 0.55 -2.24 -1.20 -5.03 114.28 102.40 2dlx n THR 112 Ca -0.37 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2dlx n THR 112 Cb 0.71 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 2dlx n THR 112 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dlx n GLY 113 N 1.72 1.04 3.66 3.38 0.00 0.22 -5.00 105.19 110.22 2dlx n GLY 113 Ca -0.40 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 2dlx n GLY 113 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dlx s GLN 114 N -2.52 2.03 -0.18 1.61 -2.07 -1.26 -4.83 119.66 112.43 2dlx s GLN 114 Ca 0.00 -2.22 -0.29 0.00 -1.82 0.00 0.00 55.36 51.04 2dlx s GLN 114 Cb 0.00 -1.47 -0.00 0.00 -1.09 0.00 0.00 33.01 30.45 2dlx s GLN 114 CO 0.00 -0.22 1.00 0.21 -1.32 0.00 0.00 175.29 174.96 2dlx s LYS 115 N -3.79 4.31 -0.20 9.60 2.36 -1.26 -2.73 119.74 128.02 2dlx s LYS 115 Ca 0.22 1.31 -0.10 0.00 -2.55 0.00 0.00 55.97 54.86 2dlx s LYS 115 Cb 0.06 -3.60 -0.20 0.00 -1.05 0.00 0.00 37.83 33.04 2dlx s LYS 115 CO 0.11 -0.49 0.05 1.28 1.55 0.00 0.00 175.35 177.85 2dlx n LEU 116 N 5.77 2.40 -3.91 5.43 4.77 -0.34 -5.00 117.00 126.12 2dlx n LEU 116 Ca 0.10 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.18 2dlx n LEU 116 Cb 0.47 -0.98 -0.11 0.00 -2.33 0.00 0.00 43.42 40.47 2dlx n LEU 116 CO 0.51 0.68 -0.28 0.68 -1.33 0.00 0.00 177.39 177.66 2dlx s VAL 117 N -2.49 0.07 -0.15 4.08 -7.23 -1.25 -5.03 120.40 108.40 2dlx s VAL 117 Ca -0.30 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 2dlx s VAL 117 Cb 0.09 -0.28 0.02 0.00 0.56 0.00 0.00 36.38 36.77 2dlx s VAL 117 CO 0.63 -0.32 -0.18 -1.83 -0.31 0.00 0.00 175.10 173.08 2dlx s GLU 118 N -1.03 2.73 -0.07 4.82 4.04 -1.26 -3.06 118.70 124.88 2dlx s GLU 118 Ca -0.11 -0.74 0.00 0.00 0.04 0.00 0.00 54.97 54.16 2dlx s GLU 118 Cb -0.07 -2.33 0.02 0.00 0.02 0.00 0.00 34.13 31.77 2dlx s GLU 118 CO 0.00 -0.15 -0.04 -1.58 -1.84 0.00 0.00 175.26 171.65 2dlx s TRP 119 N 1.17 0.90 -0.21 4.83 0.51 -0.99 -5.04 118.94 120.12 2dlx s TRP 119 Ca 0.00 -0.31 -0.19 0.00 -2.12 0.00 0.00 56.10 53.48 2dlx s TRP 119 Cb -0.14 -0.84 -0.16 0.00 -0.81 0.00 0.00 33.47 31.52 2dlx s TRP 119 CO -0.08 -0.30 0.10 1.58 -0.51 0.00 0.00 176.95 177.74 2dlx n HIS 120 N 4.56 0.90 -3.55 -1.98 -0.00 -1.26 -2.83 115.22 111.05 2dlx n HIS 120 Ca -0.16 0.39 -0.37 0.00 0.46 0.00 0.00 57.72 58.03 2dlx n HIS 120 Cb 0.50 -1.04 -0.09 0.00 -0.12 0.00 0.00 29.99 29.24 2dlx n HIS 120 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 2dlx s GLN 121 N -2.37 4.08 -0.24 1.57 0.74 -1.26 -4.49 119.66 117.70 2dlx s GLN 121 Ca -0.28 -0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.02 2dlx s GLN 121 Cb 0.06 -3.56 0.06 0.00 1.10 0.00 0.00 33.01 30.67 2dlx s GLN 121 CO 0.53 -0.02 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.70 2dlx s LEU 122 N 1.28 2.55 0.14 3.68 1.02 -1.26 -4.76 118.68 121.34 2dlx s LEU 122 Ca 0.11 -1.21 0.08 0.00 0.02 0.00 0.00 54.13 53.14 2dlx s LEU 122 Cb -0.14 -1.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.88 2dlx s LEU 122 CO 0.07 -0.25 -0.10 -1.81 0.02 0.00 0.00 176.35 174.27 2dlx s ASP 123 N 1.41 4.29 0.36 2.29 1.01 -1.26 -4.80 116.67 119.97 2dlx s ASP 123 Ca -0.04 -0.49 0.18 0.00 0.71 0.00 0.00 52.55 52.90 2dlx s ASP 123 Cb -0.19 -0.76 1.24 0.00 1.01 0.00 0.00 42.92 44.23 2dlx s ASP 123 CO -0.07 0.14 1.61 0.58 0.21 0.00 0.00 175.17 177.64 2dlx h VAL 124 N 3.01 0.11 0.00 -1.27 2.07 -1.91 1.04 116.25 119.31 2dlx h VAL 124 Ca -0.48 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2dlx h VAL 124 Cb 1.19 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2dlx h VAL 124 CO 0.53 0.02 -0.11 -1.28 0.02 0.00 0.00 177.57 176.75 2dlx h SER 125 N 0.12 0.00 0.34 0.57 0.87 -1.99 -3.31 113.55 110.14 2dlx h SER 125 Ca 0.80 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.36 2dlx h SER 125 Cb 2.02 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.95 2dlx h SER 125 CO -0.71 0.50 -0.47 0.28 -0.53 0.00 0.00 176.83 175.91 2dlx h SER 126 N -0.89 -1.32 -0.48 6.23 0.02 -1.77 -0.24 113.55 115.09 2dlx h SER 126 Ca 0.00 0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2dlx h SER 126 Cb 0.11 0.45 -0.06 0.00 0.14 0.00 0.00 62.40 63.05 2dlx h SER 126 CO 0.00 -0.57 -0.28 0.33 -1.14 0.00 0.00 176.83 175.17 2dlx n PHE 127 N -5.20 -0.21 0.36 3.45 -0.00 0.35 -0.45 117.46 115.77 2dlx n PHE 127 Ca -0.10 0.60 -0.19 0.00 -0.00 0.00 0.00 57.45 57.76 2dlx n PHE 127 Cb 0.40 -0.49 -0.10 0.00 -0.00 0.00 0.00 39.48 39.29 2dlx n PHE 127 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2dlx h LEU 128 N 0.00 -1.30 -0.90 -2.13 3.38 -1.62 0.17 115.31 112.91 2dlx h LEU 128 Ca 0.08 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.39 2dlx h LEU 128 Cb 0.20 0.41 -0.17 0.00 0.09 0.00 0.00 40.66 41.18 2dlx h LEU 128 CO -0.45 -0.70 0.04 -0.67 0.09 0.00 0.00 178.44 176.75 2dlx n ASP 129 N -5.51 -0.08 0.13 -0.43 2.03 -0.12 0.15 116.55 112.72 2dlx n ASP 129 Ca -0.13 1.52 -0.06 0.00 0.52 0.00 0.00 54.79 56.64 2dlx n ASP 129 Cb 0.48 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.28 2dlx n ASP 129 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2dlx h GLN 130 N 0.00 -0.39 0.26 -0.67 4.20 -0.35 -3.17 115.11 115.00 2dlx h GLN 130 Ca 0.55 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.29 2dlx h GLN 130 Cb 1.17 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 2dlx h GLN 130 CO -0.84 -0.26 -0.31 0.28 -0.67 0.00 0.00 178.83 177.03 2dlx h VAL 131 N -0.98 0.00 -0.73 -0.54 2.07 0.76 0.07 116.25 116.90 2dlx h VAL 131 Ca -0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.58 2dlx h VAL 131 Cb 0.31 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.97 2dlx h VAL 131 CO 0.07 0.00 -0.33 0.41 0.02 0.00 0.00 177.57 177.74 2dlx n THR 132 N -4.27 -0.42 0.10 2.57 -1.04 0.40 -0.13 114.28 111.50 2dlx n THR 132 Ca -0.07 1.73 -0.13 0.00 -2.04 0.00 0.00 64.05 63.54 2dlx n THR 132 Cb 0.28 -2.24 -0.08 0.00 -1.82 0.00 0.00 70.33 66.46 2dlx n THR 132 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2dlx h GLY 133 N 0.00 -0.24 -0.82 3.41 0.00 -1.48 -3.02 103.07 100.92 2dlx h GLY 133 Ca 0.22 0.09 0.17 0.00 0.00 0.00 0.00 47.33 47.81 2dlx h GLY 133 CO -0.72 -0.09 -0.17 0.33 0.00 0.00 0.00 176.54 175.90 2dlx n PHE 134 N -5.11 0.33 -0.18 5.60 -0.00 0.82 0.17 117.46 119.09 2dlx n PHE 134 Ca -0.09 1.00 -0.08 0.00 -0.00 0.00 0.00 57.45 58.28 2dlx n PHE 134 Cb 0.18 -1.00 0.01 0.00 -0.00 0.00 0.00 39.48 38.67 2dlx n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2dlx h LEU 135 N 0.00 0.72 -0.99 -2.13 3.38 -1.34 0.31 115.31 115.27 2dlx h LEU 135 Ca 0.41 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.31 2dlx h LEU 135 Cb 0.67 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 2dlx h LEU 135 CO -0.83 0.69 0.62 1.23 0.09 0.00 0.00 178.44 180.24 2dlx h GLY 136 N 0.70 1.57 0.05 0.83 0.00 0.19 1.73 103.07 108.15 2dlx h GLY 136 Ca 0.17 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2dlx h GLY 136 CO -0.01 0.21 -0.03 -2.09 0.00 0.00 0.00 176.54 174.62 2dlx h GLU 137 N 1.03 -0.07 0.44 4.80 4.22 -0.97 -3.40 114.58 120.62 2dlx h GLU 137 Ca 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.89 2dlx h GLU 137 Cb 0.38 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2dlx h GLU 137 CO -0.24 -0.05 -0.21 0.45 -2.18 0.00 0.00 179.01 176.79 2dlx h HIS 138 N -0.95 -0.54 0.00 0.92 3.86 -0.91 -3.48 115.15 114.05 2dlx h HIS 138 Ca -0.01 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2dlx h HIS 138 Cb 0.06 0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2dlx h HIS 138 CO 0.00 -0.23 0.00 0.41 0.86 0.00 0.00 177.93 178.97 2dlx n GLY 139 N -0.14 0.49 0.01 2.45 0.00 0.59 -4.52 105.19 104.08 2dlx n GLY 139 Ca -0.09 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.54 2dlx n GLY 139 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dlx n GLN 140 N 0.00 0.08 -3.54 1.61 1.13 -1.26 -4.68 117.38 110.72 2dlx n GLN 140 Ca 0.00 0.19 -0.11 0.00 -1.94 0.00 0.00 57.00 55.14 2dlx n GLN 140 Cb 0.00 -0.80 -0.03 0.00 0.11 0.00 0.00 30.24 29.52 2dlx n GLN 140 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dlx s LEU 141 N -5.27 -0.24 -1.59 1.08 1.43 -1.26 -4.49 118.68 108.33 2dlx s LEU 141 Ca -0.03 -0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2dlx s LEU 141 Cb 0.00 2.38 0.01 0.00 0.03 0.00 0.00 46.19 48.61 2dlx s LEU 141 CO 0.05 -0.98 0.35 -0.67 0.23 0.00 0.00 176.35 175.33 2dlx n ASP 142 N -0.35 -5.77 -4.83 2.29 2.03 -1.26 -4.96 116.55 103.71 2dlx n ASP 142 Ca -0.15 -0.17 -0.37 0.00 0.52 0.00 0.00 54.79 54.62 2dlx n ASP 142 Cb 0.64 -4.72 -0.06 0.00 -0.72 0.00 0.00 41.12 36.25 2dlx n ASP 142 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2dlx s GLY 143 N -2.43 2.20 0.08 0.27 0.00 -1.26 -5.09 107.32 101.09 2dlx s GLY 143 Ca 0.19 -0.55 -0.14 0.00 0.00 0.00 0.00 44.72 44.22 2dlx s GLY 143 CO 0.23 -0.09 0.32 0.48 0.00 0.00 0.00 173.10 174.05 2dlx s LEU 144 N -0.60 0.79 0.03 0.66 2.34 -1.26 -4.97 118.68 115.66 2dlx s LEU 144 Ca 0.16 -0.31 -0.27 0.00 0.06 0.00 0.00 54.13 53.76 2dlx s LEU 144 Cb -0.13 1.49 0.08 0.00 -0.56 0.00 0.00 46.19 47.07 2dlx s LEU 144 CO 0.05 -0.72 0.72 -0.44 -1.06 0.00 0.00 176.35 174.90 2dlx s SER 145 N -2.48 -0.54 -0.14 1.48 0.01 -1.26 -5.10 113.70 105.67 2dlx s SER 145 Ca -0.00 0.27 -0.13 0.00 1.31 0.00 0.00 55.95 57.40 2dlx s SER 145 Cb 0.01 0.51 0.04 0.00 0.21 0.00 0.00 66.02 66.79 2dlx s SER 145 CO -0.08 -0.72 0.38 -0.44 0.41 0.00 0.00 173.24 172.79 2dlx s SER 146 N -2.02 -0.41 -1.29 2.44 0.01 -1.26 -4.91 113.70 106.27 2dlx s SER 146 Ca -0.02 0.78 -0.07 0.00 1.31 0.00 0.00 55.95 57.94 2dlx s SER 146 Cb -0.01 0.77 0.01 0.00 0.21 0.00 0.00 66.02 67.00 2dlx s SER 146 CO -0.03 -0.14 1.12 -0.24 0.41 0.00 0.00 173.24 174.36 2dlx n SER 147 N 3.01 -5.47 -4.28 2.44 2.88 -1.26 -5.01 113.62 105.94 2dlx n SER 147 Ca -0.14 -0.54 -0.15 0.00 -1.33 0.00 0.00 58.87 56.71 2dlx n SER 147 Cb 0.57 -4.92 -0.10 0.00 -0.75 0.00 0.00 64.21 59.01 2dlx n SER 147 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dlx s SER 148 N -3.50 1.97 -0.24 -3.46 0.01 -1.26 -5.14 113.70 102.08 2dlx s SER 148 Ca 0.46 -1.03 -0.03 0.00 1.31 0.00 0.00 55.95 56.66 2dlx s SER 148 Cb -0.20 -0.04 0.10 0.00 0.21 0.00 0.00 66.02 66.09 2dlx s SER 148 CO 0.71 -0.31 0.20 -0.83 0.41 0.00 0.00 173.24 173.42 2dlx s GLY 149 N -3.21 0.13 -0.56 3.44 0.00 -1.26 -5.10 107.32 100.76 2dlx s GLY 149 Ca 0.19 -0.26 -0.27 0.00 0.00 0.00 0.00 44.72 44.37 2dlx s GLY 149 CO 0.02 2.19 1.83 2.56 0.00 0.00 0.00 173.10 179.71 2dlx s PRO 150 N 2.26 2.79 0.01 2.90 0.04 -1.26 -4.84 135.00 136.90 2dlx s PRO 150 Ca 0.07 0.76 -0.17 0.00 0.04 0.00 0.00 61.00 61.70 2dlx s PRO 150 Cb -0.15 -4.34 -0.34 0.00 0.04 0.00 0.00 34.50 29.70 2dlx s PRO 150 CO -0.22 -2.53 0.98 0.66 0.04 0.00 0.00 177.00 175.93 2dlx h SER 151 N 14.39 0.76 -6.34 6.66 4.64 -2.05 -3.48 113.55 128.14 2dlx h SER 151 Ca -0.27 -0.92 -0.48 0.00 -0.47 0.00 0.00 61.79 59.64 2dlx h SER 151 Cb 1.16 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.95 2dlx h SER 151 CO 1.18 1.63 -0.77 -1.20 -0.87 0.00 0.00 176.83 176.80 2dlx n SER 152 N -3.83 -4.34 0.00 4.97 7.64 -1.26 -5.29 113.62 111.51 2dlx n SER 152 Ca -0.16 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2dlx n SER 152 Cb 1.03 -3.76 0.00 0.00 -1.01 0.00 0.00 64.21 60.47 2dlx n SER 152 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64