#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 -0.37 0.23 1.61 0.15 -1.26 -5.18 113.70 108.89 2dlx s SER 2 Ca 0.00 0.43 0.10 0.00 0.70 0.00 0.00 55.95 57.18 2dlx s SER 2 Cb 0.00 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.78 2dlx s SER 2 CO 0.00 -0.41 -0.18 -0.44 1.20 0.00 0.00 173.24 173.41 2dlx s SER 3 N -0.91 3.11 0.11 5.45 0.01 -1.26 -5.08 113.70 115.13 2dlx s SER 3 Ca -0.10 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.16 2dlx s SER 3 Cb -0.04 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2dlx s SER 3 CO 0.05 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2dlx n GLY 4 N -0.38 -0.05 3.83 3.44 0.00 -1.26 -5.03 105.19 105.74 2dlx n GLY 4 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2dlx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dlx n SER 5 N -3.45 -4.25 -4.17 1.61 7.64 -1.26 -4.97 113.62 104.76 2dlx n SER 5 Ca 0.00 -0.76 -0.22 0.00 1.01 0.00 0.00 58.87 58.90 2dlx n SER 5 Cb 0.00 -4.06 -0.09 0.00 -1.01 0.00 0.00 64.21 59.05 2dlx n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dlx s SER 6 N -3.53 2.22 -0.39 6.43 1.04 -1.26 -5.11 113.70 113.10 2dlx s SER 6 Ca 0.52 -1.55 0.10 0.00 0.48 0.00 0.00 55.95 55.50 2dlx s SER 6 Cb -0.26 0.31 0.32 0.00 0.10 0.00 0.00 66.02 66.50 2dlx s SER 6 CO 0.81 -0.83 0.75 0.61 0.98 0.00 0.00 173.24 175.56 2dlx n GLY 7 N -0.73 2.84 2.67 7.32 0.00 -1.26 -5.06 105.19 110.95 2dlx n GLY 7 Ca -0.03 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 2dlx n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dlx s ILE 8 N -1.61 0.26 -0.00 -0.61 1.09 -1.26 -5.13 121.20 113.93 2dlx s ILE 8 Ca 0.36 -0.50 0.04 0.00 -1.10 0.00 0.00 60.65 59.44 2dlx s ILE 8 Cb 0.30 -0.91 -0.01 0.00 -1.06 0.00 0.00 42.46 40.78 2dlx s ILE 8 CO -0.09 -0.33 -0.13 -0.62 -0.10 0.00 0.00 174.94 173.67 2dlx s ASP 9 N 1.97 1.47 0.00 3.58 2.15 -1.26 -5.15 116.67 119.44 2dlx s ASP 9 Ca 0.02 -0.26 -0.02 0.00 0.43 0.00 0.00 52.55 52.72 2dlx s ASP 9 Cb -0.17 -0.15 -0.01 0.00 -0.30 0.00 0.00 42.92 42.29 2dlx s ASP 9 CO -0.13 0.13 0.04 -0.54 -0.17 0.00 0.00 175.17 174.51 2dlx s LYS 10 N -0.41 0.27 0.02 4.34 1.02 -1.26 -5.17 119.74 118.56 2dlx s LYS 10 Ca 0.04 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 55.69 2dlx s LYS 10 Cb -0.05 0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.35 2dlx s LYS 10 CO -0.00 -0.05 0.00 -1.59 -0.92 0.00 0.00 175.35 172.79 2dlx s LYS 11 N -0.95 0.33 0.03 1.68 -2.85 -1.26 -5.17 119.74 111.56 2dlx s LYS 11 Ca -0.10 -0.55 -0.27 0.00 -1.00 0.00 0.00 55.97 54.05 2dlx s LYS 11 Cb -0.06 0.12 0.09 0.00 -2.06 0.00 0.00 37.83 35.92 2dlx s LYS 11 CO -0.00 -0.06 0.80 -0.48 0.10 0.00 0.00 175.35 175.71 2dlx s LEU 12 N -1.38 -0.45 -0.31 2.77 0.05 -1.26 -5.12 118.68 112.97 2dlx s LEU 12 Ca -0.15 0.08 -0.29 0.00 0.05 0.00 0.00 54.13 53.82 2dlx s LEU 12 Cb -0.09 2.22 -0.00 0.00 -2.05 0.00 0.00 46.19 46.27 2dlx s LEU 12 CO -0.01 -0.71 1.39 -0.89 -0.55 0.00 0.00 176.35 175.59 2dlx s THR 13 N -3.04 3.99 -0.05 5.48 2.01 -1.26 -4.82 115.64 117.96 2dlx s THR 13 Ca 0.02 1.09 0.01 0.00 0.31 0.00 0.00 61.69 63.12 2dlx s THR 13 Cb -0.01 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2dlx s THR 13 CO -0.08 -0.51 -0.03 0.41 -0.69 0.00 0.00 174.62 173.72 2dlx n THR 14 N 6.48 0.28 -1.84 -0.82 -1.04 -1.26 -5.01 114.28 111.07 2dlx n THR 14 Ca 0.16 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.63 2dlx n THR 14 Cb 0.47 -0.74 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 2dlx n THR 14 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2dlx s LEU 15 N -5.01 4.38 -0.14 -4.42 2.96 -1.26 -4.99 118.68 110.19 2dlx s LEU 15 Ca -0.05 2.67 -0.05 0.00 -0.22 0.00 0.00 54.13 56.48 2dlx s LEU 15 Cb 0.02 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.19 2dlx s LEU 15 CO 0.12 -0.91 0.30 0.00 -1.32 0.00 0.00 176.35 174.54 2dlx s ALA 16 N 1.87 -0.69 -0.48 5.97 0.00 -1.26 -5.10 121.76 122.07 2dlx s ALA 16 Ca 0.74 1.08 -0.31 0.00 0.00 0.00 0.00 51.96 53.48 2dlx s ALA 16 Cb -0.45 -1.04 -0.11 0.00 0.00 0.00 0.00 23.12 21.52 2dlx s ALA 16 CO 0.33 -0.61 2.35 -0.25 0.00 0.00 0.00 175.76 177.58 2dlx n ASP 17 N 5.21 2.04 -3.53 0.00 9.92 -1.26 -4.91 116.55 124.02 2dlx n ASP 17 Ca -0.09 0.05 -0.20 0.00 -0.53 0.00 0.00 54.79 54.02 2dlx n ASP 17 Cb 0.50 -1.35 0.18 0.00 -0.64 0.00 0.00 41.12 39.81 2dlx n ASP 17 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dlx n LEU 18 N 12.17 -1.12 -0.08 0.64 -0.00 -1.26 -4.98 117.00 122.37 2dlx n LEU 18 Ca 0.42 -0.49 -0.09 0.00 -0.00 0.00 0.00 56.01 55.86 2dlx n LEU 18 Cb 0.33 -0.82 -0.11 0.00 -0.00 0.00 0.00 43.42 42.82 2dlx n LEU 18 CO 0.76 -3.54 -1.01 2.22 -0.00 0.00 0.00 177.39 175.83 2dlx n PHE 19 N -4.70 0.00 -4.49 1.47 -1.74 -1.26 -5.00 117.46 101.74 2dlx n PHE 19 Ca 0.07 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.75 2dlx n PHE 19 Cb 0.40 -0.71 -0.14 0.00 1.52 0.00 0.00 39.48 40.55 2dlx n PHE 19 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 2dlx s ARG 20 N -2.35 1.07 0.41 3.97 3.03 -1.26 -5.14 118.95 118.68 2dlx s ARG 20 Ca -0.12 -0.71 -0.25 0.00 2.03 0.00 0.00 55.73 56.68 2dlx s ARG 20 Cb 0.05 -1.08 -0.08 0.00 -1.03 0.00 0.00 34.95 32.81 2dlx s ARG 20 CO 0.54 0.28 1.18 -1.25 -1.13 0.00 0.00 175.30 174.92 2dlx s PRO 21 N -0.90 3.98 0.00 3.89 0.04 -1.26 -4.89 135.00 135.87 2dlx s PRO 21 Ca 0.04 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2dlx s PRO 21 Cb -0.07 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2dlx s PRO 21 CO 0.01 -0.38 0.30 -0.35 0.04 0.00 0.00 177.00 176.61 2dlx n PRO 22 N -0.04 0.49 -0.23 0.56 -0.04 -1.26 -4.29 135.00 130.19 2dlx n PRO 22 Ca 0.05 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.73 2dlx n PRO 22 Cb 0.46 -1.19 0.41 0.00 -0.04 0.00 0.00 33.50 33.14 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 0.09 -0.27 -0.12 0.52 -5.35 -1.26 0.19 119.36 113.16 2dlx n ILE 23 Ca 0.00 1.35 -0.05 0.00 -0.27 0.00 0.00 62.75 63.78 2dlx n ILE 23 Cb 0.10 -2.20 0.02 0.00 -1.74 0.00 0.00 39.64 35.81 2dlx n ILE 23 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 2dlx h ASP 24 N 0.00 -0.30 0.60 7.28 2.03 -1.98 -2.63 116.42 121.42 2dlx h ASP 24 Ca 0.58 0.11 -0.28 0.00 -0.73 0.00 0.00 57.03 56.71 2dlx h ASP 24 Cb 1.57 0.22 -0.03 0.00 -0.83 0.00 0.00 39.33 40.26 2dlx h ASP 24 CO -0.49 -0.10 -1.46 0.25 -1.03 0.00 0.00 179.24 176.41 2dlx h LEU 25 N 0.03 0.16 -8.77 0.15 5.85 0.16 -3.44 115.31 109.46 2dlx h LEU 25 Ca 0.19 -0.24 -0.65 0.00 0.84 0.00 0.00 57.88 58.03 2dlx h LEU 25 Cb 0.28 -0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.11 2dlx h LEU 25 CO -0.38 1.20 -0.08 -0.32 -0.34 0.00 0.00 178.44 178.53 2dlx s MET 26 N -2.63 3.65 1.16 1.25 1.75 0.69 -4.44 119.30 120.72 2dlx s MET 26 Ca -0.05 -0.15 -0.13 0.00 -1.25 0.00 0.00 55.69 54.11 2dlx s MET 26 Cb 0.08 -3.79 0.28 0.00 2.84 0.00 0.00 34.83 34.24 2dlx s MET 26 CO 0.83 -0.60 1.03 -1.58 -0.65 0.00 0.00 175.02 174.05 2dlx s HIS 27 N 2.34 1.36 0.03 4.11 2.46 -1.24 -4.34 115.29 120.02 2dlx s HIS 27 Ca 0.18 1.21 -0.34 0.00 0.47 0.00 0.00 55.06 56.57 2dlx s HIS 27 Cb -0.16 -3.11 -0.13 0.00 -0.13 0.00 0.00 32.58 29.05 2dlx s HIS 27 CO 0.13 -3.84 1.72 1.63 -2.47 0.00 0.00 174.74 171.91 2dlx n LYS 28 N -4.90 2.12 -1.67 2.88 4.01 -1.26 -4.81 118.16 114.54 2dlx n LYS 28 Ca 0.03 0.77 -0.56 0.00 -0.51 0.00 0.00 58.31 58.05 2dlx n LYS 28 Cb 0.54 -2.57 -0.07 0.00 -0.51 0.00 0.00 35.03 32.42 2dlx n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2dlx n GLY 29 N 3.87 0.86 3.54 0.72 0.00 -1.26 -4.86 105.19 108.06 2dlx n GLY 29 Ca 0.20 0.93 -0.10 0.00 0.00 0.00 0.00 46.02 47.05 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 4.08 -0.39 -0.13 1.61 1.04 -1.26 -5.04 113.70 113.61 2dlx s SER 30 Ca 1.00 0.25 0.03 0.00 0.48 0.00 0.00 55.95 57.70 2dlx s SER 30 Cb -1.03 0.36 -0.10 0.00 0.10 0.00 0.00 66.02 65.36 2dlx s SER 30 CO 0.63 -0.49 -0.09 2.22 0.98 0.00 0.00 173.24 176.49 2dlx n PHE 31 N 0.30 0.00 0.02 5.02 -1.74 -1.26 -4.15 117.46 115.65 2dlx n PHE 31 Ca -0.10 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.60 2dlx n PHE 31 Cb 0.60 -0.52 -0.14 0.00 1.52 0.00 0.00 39.48 40.93 2dlx n PHE 31 CO 0.00 0.00 0.00 1.05 -0.56 0.00 0.00 176.76 177.25 2dlx h GLU 32 N 0.00 0.25 -0.25 3.97 4.11 -2.00 -3.38 114.58 117.27 2dlx h GLU 32 Ca -0.30 -0.42 -0.19 0.00 0.07 0.00 0.00 59.36 58.52 2dlx h GLU 32 Cb 1.51 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.91 2dlx h GLU 32 CO -0.03 1.10 -0.59 1.15 0.07 0.00 0.00 179.01 180.71 2dlx h THR 33 N 0.07 1.28 -0.70 -1.06 2.02 -1.97 -3.11 112.91 109.44 2dlx h THR 33 Ca -0.36 -1.78 0.10 0.00 0.77 0.00 0.00 66.41 65.14 2dlx h THR 33 Cb 2.04 1.71 -0.12 0.00 -1.74 0.00 0.00 68.15 70.04 2dlx h THR 33 CO 0.12 0.58 -0.45 0.00 0.37 0.00 0.00 175.52 176.13 2dlx h ALA 34 N 0.70 -0.28 -0.39 6.16 0.00 -1.73 0.87 119.26 124.60 2dlx h ALA 34 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dlx h ALA 34 Cb 1.19 1.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.99 2dlx h ALA 34 CO 0.13 -0.81 0.22 0.87 0.00 0.00 0.00 179.25 179.65 2dlx h LYS 35 N -0.16 0.54 -0.19 0.00 1.57 -1.74 -3.07 116.57 113.52 2dlx h LYS 35 Ca 0.20 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2dlx h LYS 35 Cb 0.55 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 2dlx h LYS 35 CO -0.77 0.43 -0.38 0.93 -0.57 0.00 0.00 179.45 179.09 2dlx h GLU 36 N 0.50 -0.41 -0.97 3.15 4.39 -0.94 -1.60 114.58 118.70 2dlx h GLU 36 Ca 0.14 0.03 0.20 0.00 0.34 0.00 0.00 59.36 60.06 2dlx h GLU 36 Cb 0.05 0.09 -0.18 0.00 -0.10 0.00 0.00 28.75 28.61 2dlx h GLU 36 CO -0.02 -0.27 -0.22 0.00 -1.16 0.00 0.00 179.01 177.34 2dlx h GLY 38 N 0.00 1.63 0.28 0.00 0.00 -1.30 0.69 103.07 104.37 2dlx h GLY 38 Ca 0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2dlx h GLY 38 CO -0.99 -0.15 -0.13 1.46 0.00 0.00 0.00 176.54 176.73 2dlx h GLN 39 N 0.58 -0.36 0.12 4.80 4.20 0.71 0.49 115.11 125.65 2dlx h GLN 39 Ca 0.60 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.35 2dlx h GLN 39 Cb 1.20 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 29.02 2dlx h GLN 39 CO -0.38 -0.24 -0.45 0.52 -0.67 0.00 0.00 178.83 177.61 2dlx h MET 40 N -0.44 -0.62 -0.01 1.46 2.86 -1.30 -0.09 114.93 116.79 2dlx h MET 40 Ca -0.04 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2dlx h MET 40 Cb 0.29 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2dlx h MET 40 CO 0.06 -0.42 0.02 1.96 1.06 0.00 0.00 176.91 179.60 2dlx h GLN 41 N -0.65 0.00 -4.89 1.72 7.50 -0.99 -3.46 115.11 114.34 2dlx h GLN 41 Ca -0.01 0.00 -0.29 0.00 0.50 0.00 0.00 58.65 58.85 2dlx h GLN 41 Cb 0.65 0.00 0.12 0.00 0.05 0.00 0.00 27.48 28.30 2dlx h GLN 41 CO -0.23 0.00 -0.58 0.09 -1.50 0.00 0.00 178.83 176.61 2dlx n ASN 42 N -3.49 -3.80 -4.43 1.46 3.02 0.15 -4.97 115.26 103.20 2dlx n ASN 42 Ca -0.03 -0.46 -0.21 0.00 -0.03 0.00 0.00 54.58 53.85 2dlx n ASN 42 Cb 0.10 -4.16 -0.10 0.00 -0.61 0.00 0.00 39.78 35.00 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 -5.58 1.55 0.77 3.52 1.02 -0.07 -3.88 119.74 117.07 2dlx s LYS 43 Ca 0.24 -1.78 -0.11 0.00 0.02 0.00 0.00 55.97 54.34 2dlx s LYS 43 Cb -0.11 -1.19 0.05 0.00 -0.52 0.00 0.00 37.83 36.06 2dlx s LYS 43 CO 0.58 0.06 1.08 -1.58 -0.92 0.00 0.00 175.35 174.58 2dlx s TRP 44 N -2.98 2.87 -0.35 3.18 0.52 -0.50 -4.56 118.94 117.11 2dlx s TRP 44 Ca 0.29 1.29 0.01 0.00 0.02 0.00 0.00 56.10 57.71 2dlx s TRP 44 Cb 0.03 -3.03 0.09 0.00 -1.15 0.00 0.00 33.47 29.41 2dlx s TRP 44 CO 0.12 -1.63 0.08 -1.17 0.02 0.00 0.00 176.95 174.37 2dlx s LEU 45 N -5.74 4.70 -0.24 2.99 2.96 -1.16 -1.36 118.68 120.84 2dlx s LEU 45 Ca 0.60 -1.92 -0.15 0.00 -0.22 0.00 0.00 54.13 52.44 2dlx s LEU 45 Cb -0.15 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2dlx s LEU 45 CO 0.55 -0.41 0.39 -0.32 -1.32 0.00 0.00 176.35 175.24 2dlx s MET 46 N 1.06 4.10 0.10 1.98 -2.45 -1.23 -2.65 119.30 120.20 2dlx s MET 46 Ca 0.06 0.12 0.09 0.00 -1.25 0.00 0.00 55.69 54.71 2dlx s MET 46 Cb -0.21 -3.59 -0.04 0.00 1.25 0.00 0.00 34.83 32.24 2dlx s MET 46 CO -0.05 -0.16 -0.23 0.42 1.05 0.00 0.00 175.02 176.05 2dlx s ILE 47 N 1.69 1.88 -0.11 10.11 1.01 -1.26 -2.99 121.20 131.54 2dlx s ILE 47 Ca 0.17 -1.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.21 2dlx s ILE 47 Cb -0.15 -1.69 0.05 0.00 0.01 0.00 0.00 42.46 40.68 2dlx s ILE 47 CO 0.09 0.01 0.15 0.21 0.00 0.00 0.00 174.94 175.41 2dlx s ASN 48 N -1.88 1.04 -0.19 3.58 3.84 -1.22 -4.05 114.94 116.05 2dlx s ASN 48 Ca 0.09 0.14 -0.28 0.00 0.21 0.00 0.00 52.86 53.02 2dlx s ASN 48 Cb -0.10 0.21 -0.00 0.00 -0.55 0.00 0.00 41.25 40.81 2dlx s ASN 48 CO 0.05 -0.27 0.95 -0.63 -2.79 0.00 0.00 177.10 174.41 2dlx s ILE 49 N 2.27 4.77 0.14 -5.21 -1.09 -1.19 -3.47 121.20 117.43 2dlx s ILE 49 Ca 0.04 1.88 -0.17 0.00 -2.23 0.00 0.00 60.65 60.17 2dlx s ILE 49 Cb -0.13 -4.24 -0.07 0.00 -1.58 0.00 0.00 42.46 36.43 2dlx s ILE 49 CO -0.07 -0.07 0.59 -1.10 -1.23 0.00 0.00 174.94 173.06 2dlx s GLN 50 N 2.61 4.11 -0.22 2.79 -1.52 -1.12 -4.45 119.66 121.86 2dlx s GLN 50 Ca 0.42 0.65 -0.01 0.00 -1.95 0.00 0.00 55.36 54.47 2dlx s GLN 50 Cb -0.16 -3.02 0.02 0.00 -0.22 0.00 0.00 33.01 29.62 2dlx s GLN 50 CO 0.11 0.52 -0.11 -0.80 -0.25 0.00 0.00 175.29 174.75 2dlx s ASN 51 N -1.50 3.88 0.31 5.90 0.01 -1.26 -4.04 114.94 118.24 2dlx s ASN 51 Ca 0.36 -0.70 0.14 0.00 -0.71 0.00 0.00 52.86 51.95 2dlx s ASN 51 Cb -0.17 -1.61 0.47 0.00 0.41 0.00 0.00 41.25 40.35 2dlx s ASN 51 CO 0.19 -0.06 1.65 -0.37 -1.51 0.00 0.00 177.10 177.01 2dlx h VAL 52 N 5.99 1.20 0.00 1.60 -1.51 -2.02 -3.32 116.25 118.19 2dlx h VAL 52 Ca -0.39 -1.90 -0.12 0.00 -1.23 0.00 0.00 66.70 63.06 2dlx h VAL 52 Cb 1.13 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 32.35 2dlx h VAL 52 CO 0.60 0.51 -0.72 1.56 -1.23 0.00 0.00 177.57 178.29 2dlx h GLN 53 N 0.00 0.00 -6.97 5.19 7.50 -2.05 -3.47 115.11 115.31 2dlx h GLN 53 Ca -0.01 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.61 2dlx h GLN 53 Cb 1.03 0.00 0.11 0.00 0.05 0.00 0.00 27.48 28.67 2dlx h GLN 53 CO 0.07 0.74 0.69 0.34 -1.50 0.00 0.00 178.83 179.16 2dlx s ASP 54 N -6.39 6.04 -0.13 1.46 -1.08 -1.25 -4.95 116.67 110.37 2dlx s ASP 54 Ca -0.22 2.86 -0.05 0.00 -0.52 0.00 0.00 52.55 54.63 2dlx s ASP 54 Cb 0.03 -2.65 -0.25 0.00 -1.46 0.00 0.00 42.92 38.58 2dlx s ASP 54 CO 0.50 -1.05 0.31 2.22 0.52 0.00 0.00 175.17 177.66 2dlx n PHE 55 N -0.03 1.10 -0.27 -5.34 -1.74 -1.26 -4.38 117.46 105.54 2dlx n PHE 55 Ca 0.04 0.24 -0.03 0.00 -0.56 0.00 0.00 57.45 57.14 2dlx n PHE 55 Cb 0.42 -1.15 -0.00 0.00 1.52 0.00 0.00 39.48 40.27 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2dlx n ALA 56 N -3.01 -0.19 -0.32 1.98 0.00 -1.26 0.62 120.51 118.33 2dlx n ALA 56 Ca -0.33 0.65 -0.00 0.00 0.00 0.00 0.00 53.44 53.76 2dlx n ALA 56 Cb 1.04 -0.24 0.04 0.00 0.00 0.00 0.00 19.45 20.30 2dlx n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dlx h GLN 58 N 0.00 -0.19 -0.93 0.00 1.08 -0.08 -0.05 115.11 114.94 2dlx h GLN 58 Ca 0.31 0.01 0.26 0.00 -1.45 0.00 0.00 58.65 57.78 2dlx h GLN 58 Cb 0.52 0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 27.85 2dlx h GLN 58 CO -0.85 -0.12 0.40 0.00 -0.95 0.00 0.00 178.83 177.31 2dlx h LEU 60 N 0.31 -0.36 -1.89 0.00 3.38 -0.10 -2.15 115.31 114.50 2dlx h LEU 60 Ca 0.62 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2dlx h LEU 60 Cb 1.30 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2dlx h LEU 60 CO -0.60 -0.22 0.37 -1.13 0.09 0.00 0.00 178.44 176.95 2dlx h ASN 61 N -0.35 0.00 -0.50 -0.43 -0.73 -0.37 -0.24 115.58 112.96 2dlx h ASN 61 Ca -0.03 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.19 2dlx h ASN 61 Cb 0.28 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 38.79 2dlx h ASN 61 CO 0.03 0.00 -0.47 -0.09 -0.37 0.00 0.00 177.43 176.53 2dlx h ARG 62 N 0.00 -0.21 0.00 6.67 2.43 -0.33 -2.85 114.38 120.09 2dlx h ARG 62 Ca 0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2dlx h ARG 62 Cb 0.73 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2dlx h ARG 62 CO 0.00 -0.14 -1.14 -0.25 -1.51 0.00 0.00 179.97 176.93 2dlx n ASP 63 N -4.90 4.16 0.02 -3.80 8.00 -1.04 -4.38 116.55 114.63 2dlx n ASP 63 Ca -0.01 -0.01 -0.01 0.00 0.71 0.00 0.00 54.79 55.47 2dlx n ASP 63 Cb 0.26 0.26 -0.01 0.00 -0.02 0.00 0.00 41.12 41.62 2dlx n ASP 63 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2dlx h VAL 64 N 0.00 0.00 -0.09 2.53 2.07 -1.20 0.79 116.25 120.35 2dlx h VAL 64 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2dlx h VAL 64 Cb 1.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2dlx h VAL 64 CO -0.00 0.00 0.00 0.79 0.02 0.00 0.00 177.57 178.38 2dlx n TRP 65 N -2.47 0.25 -0.01 1.57 5.03 -1.23 -3.27 117.44 117.30 2dlx n TRP 65 Ca -0.01 -0.09 -0.01 0.00 3.03 0.00 0.00 57.50 60.42 2dlx n TRP 65 Cb 0.04 -0.11 -0.02 0.00 -1.03 0.00 0.00 31.31 30.19 2dlx n TRP 65 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2dlx n SER 66 N -0.00 4.36 -4.62 -0.99 2.88 -0.97 -4.90 113.62 109.38 2dlx n SER 66 Ca 0.04 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.14 2dlx n SER 66 Cb 0.29 0.70 -0.04 0.00 -0.75 0.00 0.00 64.21 64.41 2dlx n SER 66 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2dlx n ASN 67 N -1.98 3.51 -0.19 -3.46 2.85 0.27 -4.86 115.26 111.39 2dlx n ASN 67 Ca -0.03 0.56 -0.06 0.00 -0.11 0.00 0.00 54.58 54.94 2dlx n ASN 67 Cb 0.46 -1.50 0.00 0.00 1.24 0.00 0.00 39.78 39.99 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 12.55 -0.17 -1.05 1.20 4.57 -1.92 0.31 114.58 130.07 2dlx h GLU 68 Ca -0.44 0.01 0.29 0.00 -1.18 0.00 0.00 59.36 58.05 2dlx h GLU 68 Cb 1.25 0.04 -0.12 0.00 -0.16 0.00 0.00 28.75 29.76 2dlx h GLU 68 CO 0.96 -0.11 0.63 0.00 -1.18 0.00 0.00 179.01 179.31 2dlx h ALA 69 N 0.95 2.05 0.06 2.92 0.00 -1.98 0.27 119.26 123.52 2dlx h ALA 69 Ca 0.22 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2dlx h ALA 69 Cb 0.55 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2dlx h ALA 69 CO -0.66 -0.57 -0.03 0.28 0.00 0.00 0.00 179.25 178.28 2dlx h VAL 70 N 0.41 1.28 -0.43 0.00 2.07 -0.78 -2.97 116.25 115.83 2dlx h VAL 70 Ca 0.68 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 66.93 2dlx h VAL 70 Cb 1.57 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 33.41 2dlx h VAL 70 CO -0.46 0.32 0.13 0.11 0.02 0.00 0.00 177.57 177.69 2dlx h LYS 71 N -0.69 0.28 -0.42 1.57 1.57 0.37 0.24 116.57 119.49 2dlx h LYS 71 Ca -0.01 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 2dlx h LYS 71 Cb 0.58 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2dlx h LYS 71 CO 0.01 0.19 0.29 -0.91 -0.57 0.00 0.00 179.45 178.46 2dlx h ASN 72 N 0.29 0.17 0.19 0.86 2.35 -0.63 0.76 115.58 119.57 2dlx h ASN 72 Ca 0.20 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.67 2dlx h ASN 72 Cb 0.21 -0.03 0.02 0.00 0.05 0.00 0.00 38.32 38.57 2dlx h ASN 72 CO -0.22 0.10 -1.27 0.40 -1.65 0.00 0.00 177.43 174.79 2dlx h ILE 73 N 0.19 1.29 0.00 2.81 2.04 -0.96 -2.32 117.51 120.56 2dlx h ILE 73 Ca 0.19 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.47 2dlx h ILE 73 Cb 0.53 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 2dlx h ILE 73 CO -0.03 0.77 0.00 -0.38 0.00 0.00 0.00 178.15 178.51 2dlx n ILE 74 N -3.88 0.86 -0.08 -0.67 5.41 0.68 -0.55 119.36 121.14 2dlx n ILE 74 Ca -0.18 0.24 -0.15 0.00 1.00 0.00 0.00 62.75 63.66 2dlx n ILE 74 Cb 0.98 -1.14 -0.14 0.00 -0.71 0.00 0.00 39.64 38.63 2dlx n ILE 74 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2dlx n ARG 75 N -2.11 0.68 -0.02 0.38 1.85 0.19 -1.45 116.66 116.17 2dlx n ARG 75 Ca 0.02 0.14 -0.01 0.00 -1.00 0.00 0.00 57.85 57.00 2dlx n ARG 75 Cb 0.22 -1.59 -0.00 0.00 -1.05 0.00 0.00 32.46 30.03 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 0.01 0.00 -0.55 2.89 4.57 -1.22 -3.41 114.58 116.88 2dlx h GLU 76 Ca -0.50 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.63 2dlx h GLU 76 Cb 2.05 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.61 2dlx h GLU 76 CO 0.00 0.00 0.15 0.45 -1.18 0.00 0.00 179.01 178.44 2dlx h HIS 77 N -0.36 0.84 -1.53 0.92 3.86 -1.04 -3.45 115.15 114.39 2dlx h HIS 77 Ca 0.00 -0.07 -0.62 0.00 -1.16 0.00 0.00 60.37 58.52 2dlx h HIS 77 Cb 0.16 -0.25 -0.13 0.00 1.06 0.00 0.00 27.41 28.25 2dlx h HIS 77 CO -0.07 0.70 -0.52 -0.06 0.86 0.00 0.00 177.93 178.83 2dlx s PHE 78 N -5.25 1.86 -0.41 2.45 0.40 -0.83 -1.42 117.98 114.79 2dlx s PHE 78 Ca -0.10 -1.09 -0.06 0.00 -0.60 0.00 0.00 56.93 55.08 2dlx s PHE 78 Cb 0.16 -1.40 0.09 0.00 0.51 0.00 0.00 43.02 42.38 2dlx s PHE 78 CO 0.80 -0.01 0.22 0.42 0.70 0.00 0.00 175.22 177.35 2dlx s ILE 79 N -3.03 3.69 -0.38 0.64 -1.09 -0.46 -3.13 121.20 117.43 2dlx s ILE 79 Ca 0.16 -1.73 -0.30 0.00 -2.23 0.00 0.00 60.65 56.56 2dlx s ILE 79 Cb 0.03 -3.38 -0.08 0.00 -1.58 0.00 0.00 42.46 37.45 2dlx s ILE 79 CO 0.09 -0.58 2.30 0.33 -1.23 0.00 0.00 174.94 175.86 2dlx n PHE 80 N 4.75 1.63 -3.52 3.97 7.35 -0.53 -3.54 117.46 127.57 2dlx n PHE 80 Ca -0.07 0.08 -0.25 0.00 -0.76 0.00 0.00 57.45 56.45 2dlx n PHE 80 Cb 0.42 -2.63 -0.14 0.00 0.35 0.00 0.00 39.48 37.48 2dlx n PHE 80 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 2dlx s TRP 81 N 9.21 0.09 -0.02 -5.13 -0.00 -1.16 -3.68 118.94 118.25 2dlx s TRP 81 Ca 1.05 -0.56 0.03 0.00 -0.00 0.00 0.00 56.10 56.62 2dlx s TRP 81 Cb -0.49 -0.73 -0.03 0.00 -0.00 0.00 0.00 33.47 32.22 2dlx s TRP 81 CO 0.37 -0.79 -0.10 -1.14 -0.00 0.00 0.00 176.95 175.30 2dlx s GLN 82 N 2.18 2.54 0.04 5.86 -0.44 -1.26 -3.45 119.66 125.12 2dlx s GLN 82 Ca 0.08 -0.70 -0.15 0.00 -2.50 0.00 0.00 55.36 52.08 2dlx s GLN 82 Cb -0.16 -2.46 0.03 0.00 -1.64 0.00 0.00 33.01 28.78 2dlx s GLN 82 CO -0.30 0.62 0.34 0.14 0.50 0.00 0.00 175.29 176.59 2dlx s VAL 83 N -0.88 0.07 0.38 1.34 -7.23 -1.23 -5.02 120.40 107.83 2dlx s VAL 83 Ca 0.14 -0.59 -0.05 0.00 -1.81 0.00 0.00 61.98 59.67 2dlx s VAL 83 Cb -0.11 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 2dlx s VAL 83 CO 0.04 -0.33 0.66 -0.31 -0.31 0.00 0.00 175.10 174.86 2dlx s TYR 84 N -2.52 3.50 0.12 2.82 1.51 -1.26 -2.77 117.35 118.75 2dlx s TYR 84 Ca -0.05 0.72 -0.13 0.00 -1.01 0.00 0.00 57.07 56.60 2dlx s TYR 84 Cb -0.01 -2.19 -0.07 0.00 -0.11 0.00 0.00 41.96 39.58 2dlx s TYR 84 CO -0.03 -0.02 1.44 1.12 -1.11 0.00 0.00 175.55 176.96 2dlx h HIS 85 N 1.04 0.98 -0.67 2.71 2.07 -1.93 -3.15 115.15 116.20 2dlx h HIS 85 Ca -0.48 -0.30 0.11 0.00 -2.85 0.00 0.00 60.37 56.86 2dlx h HIS 85 Cb 1.20 -0.21 -0.08 0.00 2.57 0.00 0.00 27.41 30.89 2dlx h HIS 85 CO 0.57 1.08 0.27 0.22 -3.07 0.00 0.00 177.93 177.00 2dlx h ASP 86 N 0.60 0.27 -3.96 3.10 3.58 -1.95 -2.60 116.42 115.47 2dlx h ASP 86 Ca 0.05 0.08 -0.50 0.00 0.42 0.00 0.00 57.03 57.09 2dlx h ASP 86 Cb 0.92 0.06 0.21 0.00 1.72 0.00 0.00 39.33 42.23 2dlx h ASP 86 CO 0.08 0.14 0.11 -1.54 -2.88 0.00 0.00 179.24 175.16 2dlx n SER 87 N -4.98 -0.30 0.29 2.28 3.41 -1.20 -4.73 113.62 108.40 2dlx n SER 87 Ca 0.11 0.27 -0.17 0.00 -0.26 0.00 0.00 58.87 58.82 2dlx n SER 87 Cb 0.31 -1.41 -0.08 0.00 -0.26 0.00 0.00 64.21 62.77 2dlx n SER 87 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2dlx h GLU 88 N -2.08 -0.84 -0.87 4.33 4.81 -1.85 -2.22 114.58 115.85 2dlx h GLU 88 Ca -0.48 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 58.95 2dlx h GLU 88 Cb 1.29 0.19 -0.14 0.00 0.63 0.00 0.00 28.75 30.71 2dlx h GLU 88 CO 0.43 -0.56 -0.32 0.39 -0.73 0.00 0.00 179.01 178.21 2dlx n GLU 89 N -5.50 -0.19 0.45 1.92 4.71 -1.26 -1.22 120.64 119.55 2dlx n GLU 89 Ca -0.12 1.35 -0.17 0.00 -0.01 0.00 0.00 57.16 58.21 2dlx n GLU 89 Cb 0.40 -2.00 -0.08 0.00 -1.01 0.00 0.00 31.44 28.74 2dlx n GLU 89 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2dlx h GLY 90 N 0.00 -1.18 -0.72 0.62 0.00 -1.50 -0.36 103.07 99.93 2dlx h GLY 90 Ca 0.32 0.44 0.27 0.00 0.00 0.00 0.00 47.33 48.35 2dlx h GLY 90 CO -0.87 -0.43 0.25 -1.06 0.00 0.00 0.00 176.54 174.43 2dlx n GLN 91 N -5.10 -0.05 -0.04 4.80 1.13 -0.35 0.78 117.38 118.55 2dlx n GLN 91 Ca -0.14 1.03 -0.12 0.00 -1.94 0.00 0.00 57.00 55.82 2dlx n GLN 91 Cb 0.45 -1.77 -0.11 0.00 0.11 0.00 0.00 30.24 28.92 2dlx n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dlx h ARG 92 N 0.00 -0.02 -0.99 -1.09 -0.00 -1.18 -3.12 114.38 107.97 2dlx h ARG 92 Ca 0.55 0.00 0.22 0.00 -0.50 0.00 0.00 59.98 60.25 2dlx h ARG 92 Cb 1.36 0.01 -0.09 0.00 0.00 0.00 0.00 29.97 31.24 2dlx h ARG 92 CO -0.60 0.74 0.63 -0.92 0.00 0.00 0.00 179.97 179.82 2dlx h TYR 93 N -0.88 0.80 0.25 3.04 3.20 0.22 0.41 116.97 124.01 2dlx h TYR 93 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2dlx h TYR 93 Cb 0.77 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.81 2dlx h TYR 93 CO 0.20 0.14 -0.12 0.82 -1.64 0.00 0.00 178.16 177.56 2dlx h ILE 94 N 0.54 0.00 -1.02 1.81 2.04 -0.61 -3.01 117.51 117.26 2dlx h ILE 94 Ca 0.56 -0.07 0.28 0.00 1.00 0.00 0.00 64.86 66.62 2dlx h ILE 94 Cb 1.19 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 2dlx h ILE 94 CO -0.31 0.00 0.70 0.06 0.00 0.00 0.00 178.15 178.60 2dlx h GLN 95 N -0.41 0.19 0.15 2.37 3.07 -1.41 1.23 115.11 120.29 2dlx h GLN 95 Ca -0.03 -0.01 0.02 0.00 0.09 0.00 0.00 58.65 58.71 2dlx h GLN 95 Cb 0.26 -0.04 -0.04 0.00 0.08 0.00 0.00 27.48 27.74 2dlx h GLN 95 CO 0.06 0.12 -0.33 0.35 0.09 0.00 0.00 178.83 179.12 2dlx h PHE 96 N 0.19 -0.90 -0.42 0.06 3.57 -0.85 -2.68 116.94 115.92 2dlx h PHE 96 Ca 0.52 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.04 2dlx h PHE 96 Cb 1.71 0.37 0.00 0.00 2.79 0.00 0.00 35.95 40.82 2dlx h PHE 96 CO -0.00 -0.44 0.00 0.66 -2.23 0.00 0.00 178.31 176.30 2dlx n TYR 97 N -5.43 0.54 -2.92 0.41 4.01 -0.45 -4.94 117.16 108.38 2dlx n TYR 97 Ca -0.07 -0.27 -0.22 0.00 -0.16 0.00 0.00 57.90 57.18 2dlx n TYR 97 Cb 0.34 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.39 2dlx n TYR 97 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2dlx n LYS 98 N 1.50 -4.40 -1.08 -0.72 4.76 0.41 -4.94 118.16 113.70 2dlx n LYS 98 Ca 0.20 0.92 -0.34 0.00 -2.87 0.00 0.00 58.31 56.22 2dlx n LYS 98 Cb 0.61 -5.74 0.11 0.00 -1.84 0.00 0.00 35.03 28.17 2dlx n LYS 98 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2dlx n LEU 99 N -3.84 1.96 -1.01 -0.35 0.00 -0.53 -4.95 117.00 108.28 2dlx n LEU 99 Ca -0.13 0.52 -0.04 0.00 0.00 0.00 0.00 56.01 56.36 2dlx n LEU 99 Cb 0.63 -1.33 -0.03 0.00 0.00 0.00 0.00 43.42 42.70 2dlx n LEU 99 CO 0.44 -2.69 0.26 0.61 0.00 0.00 0.00 177.39 176.01 2dlx n GLY 100 N 1.18 0.24 3.68 -3.96 0.00 -1.26 -4.83 105.19 100.24 2dlx n GLY 100 Ca 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2dlx n GLY 100 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dlx s ASP 101 N -0.64 -0.39 -0.01 1.61 1.47 -1.26 -5.19 116.67 112.26 2dlx s ASP 101 Ca 0.01 -0.35 -0.28 0.00 1.18 0.00 0.00 52.55 53.11 2dlx s ASP 101 Cb 0.04 0.67 0.06 0.00 -0.34 0.00 0.00 42.92 43.35 2dlx s ASP 101 CO -0.01 -1.19 0.62 -0.36 0.68 0.00 0.00 175.17 174.91 2dlx s PHE 102 N -3.84 -0.58 0.74 2.11 0.08 -1.26 -4.31 117.98 110.93 2dlx s PHE 102 Ca 0.07 0.88 -0.12 0.00 0.12 0.00 0.00 56.93 57.88 2dlx s PHE 102 Cb -0.04 0.39 0.04 0.00 -0.57 0.00 0.00 43.02 42.85 2dlx s PHE 102 CO -0.01 -0.63 1.10 -1.25 -0.10 0.00 0.00 175.22 174.33 2dlx s PRO 103 N -1.67 2.39 -0.06 0.24 0.04 -1.26 -5.05 135.00 129.63 2dlx s PRO 103 Ca -0.09 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.18 2dlx s PRO 103 Cb -0.01 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.65 2dlx s PRO 103 CO 0.05 -1.55 -0.01 -0.47 0.04 0.00 0.00 177.00 175.07 2dlx s TYR 104 N -2.75 0.61 -0.09 0.56 6.14 -1.26 -4.72 117.35 115.84 2dlx s TYR 104 Ca 0.63 -0.13 -0.06 0.00 0.64 0.00 0.00 57.07 58.14 2dlx s TYR 104 Cb -0.18 -0.70 0.03 0.00 0.42 0.00 0.00 41.96 41.53 2dlx s TYR 104 CO 0.52 -0.26 0.22 0.08 0.64 0.00 0.00 175.55 176.75 2dlx s VAL 105 N 1.59 -0.02 0.23 3.14 1.01 -0.91 -3.16 120.40 122.29 2dlx s VAL 105 Ca -0.01 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 2dlx s VAL 105 Cb -0.13 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.96 2dlx s VAL 105 CO -0.03 0.03 0.65 -0.94 0.00 0.00 0.00 175.10 174.81 2dlx s SER 106 N 0.61 -0.35 -0.23 3.32 1.04 -1.26 -0.89 113.70 115.94 2dlx s SER 106 Ca -0.04 -0.42 -0.15 0.00 0.48 0.00 0.00 55.95 55.82 2dlx s SER 106 Cb -0.05 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2dlx s SER 106 CO -0.03 -1.20 0.35 -0.63 0.98 0.00 0.00 173.24 172.71 2dlx s ILE 107 N -3.87 5.21 0.05 -1.02 1.01 -1.25 -4.02 121.20 117.32 2dlx s ILE 107 Ca 0.08 0.57 0.05 0.00 0.00 0.00 0.00 60.65 61.36 2dlx s ILE 107 Cb -0.04 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2dlx s ILE 107 CO 0.00 0.23 -0.09 -0.22 0.00 0.00 0.00 174.94 174.86 2dlx s LEU 108 N 1.55 3.06 -0.24 2.97 1.98 -1.09 -2.59 118.68 124.32 2dlx s LEU 108 Ca 0.16 -0.28 -0.16 0.00 -2.89 0.00 0.00 54.13 50.95 2dlx s LEU 108 Cb -0.15 -1.81 -0.03 0.00 0.66 0.00 0.00 46.19 44.85 2dlx s LEU 108 CO 0.08 0.23 0.44 -0.62 -1.89 0.00 0.00 176.35 174.59 2dlx s ASP 109 N -1.80 6.38 0.05 3.68 -1.08 -1.21 -3.01 116.67 119.70 2dlx s ASP 109 Ca 0.19 0.46 0.16 0.00 -0.52 0.00 0.00 52.55 52.84 2dlx s ASP 109 Cb -0.11 -2.25 0.68 0.00 -1.46 0.00 0.00 42.92 39.78 2dlx s ASP 109 CO 0.10 -0.19 1.51 -0.81 0.52 0.00 0.00 175.17 176.30 2dlx n PRO 110 N 5.13 0.04 0.00 4.34 -0.04 -1.26 -0.54 135.00 142.67 2dlx n PRO 110 Ca -0.07 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2dlx n PRO 110 Cb 0.50 -1.57 0.00 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 -1.64 0.00 0.06 0.54 1.74 -1.26 -4.59 116.66 111.51 2dlx n ARG 111 Ca 0.03 0.05 -0.05 0.00 -0.77 0.00 0.00 57.85 57.12 2dlx n ARG 111 Cb 0.18 -0.33 0.16 0.00 -1.02 0.00 0.00 32.46 31.44 2dlx n ARG 111 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dlx h THR 112 N 0.00 1.33 0.00 0.55 1.03 -2.01 -3.47 112.91 110.35 2dlx h THR 112 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 66.41 64.70 2dlx h THR 112 Cb 0.00 1.77 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 2dlx h THR 112 CO 0.00 0.51 0.00 0.61 -0.01 0.00 0.00 175.52 176.63 2dlx n GLY 113 N 0.02 0.51 3.88 2.99 0.00 0.30 -5.04 105.19 107.86 2dlx n GLY 113 Ca -0.02 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 2dlx n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dlx s GLN 114 N -0.74 3.67 0.10 1.61 2.00 -1.26 -4.75 119.66 120.29 2dlx s GLN 114 Ca 0.00 0.04 -0.31 0.00 -2.00 0.00 0.00 55.36 53.10 2dlx s GLN 114 Cb 0.00 -3.02 -0.07 0.00 0.80 0.00 0.00 33.01 30.72 2dlx s GLN 114 CO 0.00 0.59 1.25 0.21 -0.50 0.00 0.00 175.29 176.84 2dlx s LYS 115 N -1.90 4.42 -0.20 1.67 2.36 -1.26 -3.29 119.74 121.54 2dlx s LYS 115 Ca 0.31 1.87 -0.15 0.00 -2.55 0.00 0.00 55.97 55.44 2dlx s LYS 115 Cb -0.13 -3.30 -0.09 0.00 -1.05 0.00 0.00 37.83 33.26 2dlx s LYS 115 CO 0.18 -0.27 -0.22 1.28 1.55 0.00 0.00 175.35 177.87 2dlx n LEU 116 N 3.62 1.90 -4.63 5.43 4.77 -1.07 -5.03 117.00 121.99 2dlx n LEU 116 Ca 0.09 0.42 -0.29 0.00 -0.03 0.00 0.00 56.01 56.20 2dlx n LEU 116 Cb 0.45 -0.83 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 2dlx n LEU 116 CO 0.56 -0.03 -0.22 0.68 -1.33 0.00 0.00 177.39 177.05 2dlx s VAL 117 N -2.56 0.89 -0.20 4.08 -7.23 -1.25 -5.04 120.40 109.09 2dlx s VAL 117 Ca -0.28 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 57.79 2dlx s VAL 117 Cb 0.06 -2.29 0.07 0.00 0.56 0.00 0.00 36.38 34.79 2dlx s VAL 117 CO 0.42 0.00 0.46 -1.61 -0.31 0.00 0.00 175.10 174.06 2dlx s GLU 118 N -3.78 0.44 -0.02 4.82 2.02 -1.26 -3.88 118.70 117.03 2dlx s GLU 118 Ca 0.16 0.91 0.02 0.00 0.02 0.00 0.00 54.97 56.09 2dlx s GLU 118 Cb 0.02 0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.34 2dlx s GLU 118 CO 0.10 -0.17 -0.07 -1.58 0.02 0.00 0.00 175.26 173.55 2dlx s TRP 119 N 1.65 0.80 -0.22 1.61 0.51 -0.07 -5.01 118.94 118.22 2dlx s TRP 119 Ca -0.08 -0.19 -0.16 0.00 -2.12 0.00 0.00 56.10 53.54 2dlx s TRP 119 Cb -0.08 -0.59 -0.10 0.00 -0.81 0.00 0.00 33.47 31.88 2dlx s TRP 119 CO -0.14 -0.10 -0.21 1.58 -0.51 0.00 0.00 176.95 177.57 2dlx n HIS 120 N 3.38 0.35 -4.05 -1.98 -0.00 -1.26 -2.14 115.22 109.52 2dlx n HIS 120 Ca -0.19 0.15 -0.32 0.00 0.46 0.00 0.00 57.72 57.82 2dlx n HIS 120 Cb 0.54 -0.85 -0.15 0.00 -0.12 0.00 0.00 29.99 29.41 2dlx n HIS 120 CO 0.00 0.00 0.00 1.14 0.46 0.00 0.00 176.34 177.94 2dlx s GLN 121 N -2.55 2.15 0.18 1.57 -2.07 -1.26 -4.49 119.66 113.19 2dlx s GLN 121 Ca -0.31 -1.42 0.03 0.00 -1.82 0.00 0.00 55.36 51.84 2dlx s GLN 121 Cb 0.08 -2.96 -0.03 0.00 -1.09 0.00 0.00 33.01 29.01 2dlx s GLN 121 CO 0.45 -0.63 0.31 -0.51 -1.32 0.00 0.00 175.29 173.60 2dlx s LEU 122 N 1.09 4.32 0.24 2.60 1.43 -1.26 -5.02 118.68 122.07 2dlx s LEU 122 Ca -0.06 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2dlx s LEU 122 Cb -0.20 -2.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 2dlx s LEU 122 CO -0.05 0.01 -0.02 -1.81 0.23 0.00 0.00 176.35 174.71 2dlx s ASP 123 N -3.40 2.00 0.25 2.29 1.01 -1.26 -4.91 116.67 112.64 2dlx s ASP 123 Ca 0.35 -1.20 -0.04 0.00 0.71 0.00 0.00 52.55 52.37 2dlx s ASP 123 Cb -0.11 -0.02 0.42 0.00 1.01 0.00 0.00 42.92 44.22 2dlx s ASP 123 CO 0.29 -0.47 1.80 0.58 0.21 0.00 0.00 175.17 177.57 2dlx h VAL 124 N 2.45 0.87 0.00 -1.27 2.07 -1.93 0.44 116.25 118.89 2dlx h VAL 124 Ca -0.38 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 2dlx h VAL 124 Cb 1.22 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2dlx h VAL 124 CO 0.65 0.14 -0.60 0.77 0.02 0.00 0.00 177.57 178.55 2dlx h SER 125 N 0.75 0.00 -0.59 0.57 4.64 -1.99 -3.19 113.55 113.74 2dlx h SER 125 Ca 0.41 -0.42 0.11 0.00 -0.47 0.00 0.00 61.79 61.42 2dlx h SER 125 Cb 0.42 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.42 2dlx h SER 125 CO -0.27 1.05 0.10 -1.28 -0.87 0.00 0.00 176.83 175.56 2dlx h SER 126 N -1.00 -0.05 0.21 4.97 0.87 -1.95 0.29 113.55 116.89 2dlx h SER 126 Ca -0.13 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2dlx h SER 126 Cb 0.84 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2dlx h SER 126 CO -0.08 -0.01 -0.13 0.15 -0.53 0.00 0.00 176.83 176.22 2dlx h PHE 127 N 0.23 -0.35 -0.66 2.24 3.04 -0.29 0.35 116.94 121.51 2dlx h PHE 127 Ca 0.31 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.26 2dlx h PHE 127 Cb 0.46 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.06 2dlx h PHE 127 CO -0.26 -0.21 0.44 -0.07 -2.02 0.00 0.00 178.31 176.18 2dlx h LEU 128 N -0.33 0.75 -0.28 0.59 3.38 -1.37 0.20 115.31 118.25 2dlx h LEU 128 Ca -0.02 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 2dlx h LEU 128 Cb 0.28 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2dlx h LEU 128 CO 0.01 0.54 -0.58 0.44 0.09 0.00 0.00 178.44 178.95 2dlx h ASP 129 N 0.89 0.98 -0.09 -0.43 3.32 -0.02 -0.96 116.42 120.11 2dlx h ASP 129 Ca 0.24 -0.54 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 2dlx h ASP 129 Cb -0.09 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.17 2dlx h ASP 129 CO -0.05 1.34 -0.09 1.56 -1.72 0.00 0.00 179.24 180.28 2dlx h GLN 130 N 0.66 0.22 0.13 3.56 4.20 0.28 -0.85 115.11 123.32 2dlx h GLN 130 Ca 0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2dlx h GLN 130 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2dlx h GLN 130 CO 0.13 0.64 -0.06 0.28 -0.67 0.00 0.00 178.83 179.15 2dlx h VAL 131 N -0.19 0.00 -0.68 -0.54 2.07 -0.69 0.14 116.25 116.36 2dlx h VAL 131 Ca 0.02 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.61 2dlx h VAL 131 Cb 0.60 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.27 2dlx h VAL 131 CO 0.02 0.00 0.16 0.74 0.02 0.00 0.00 177.57 178.52 2dlx h THR 132 N -0.24 0.58 -0.67 2.57 2.02 -1.33 -0.02 112.91 115.82 2dlx h THR 132 Ca -0.02 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2dlx h THR 132 Cb 0.13 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 2dlx h THR 132 CO 0.03 0.05 0.11 1.23 0.37 0.00 0.00 175.52 177.31 2dlx h GLY 133 N 0.28 1.20 1.01 2.16 0.00 -1.23 -2.97 103.07 103.52 2dlx h GLY 133 Ca 0.37 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 2dlx h GLY 133 CO -0.46 0.74 0.26 -2.75 0.00 0.00 0.00 176.54 174.33 2dlx h PHE 134 N 1.04 0.97 -0.60 5.60 3.04 0.79 -0.98 116.94 126.80 2dlx h PHE 134 Ca 0.21 -0.07 0.08 0.00 3.98 0.00 0.00 57.97 62.17 2dlx h PHE 134 Cb 0.44 -0.29 -0.07 0.00 2.56 0.00 0.00 35.95 38.59 2dlx h PHE 134 CO 0.03 0.76 0.24 -0.07 -2.02 0.00 0.00 178.31 177.25 2dlx h LEU 135 N 0.89 0.26 -0.15 0.59 3.38 -0.91 0.57 115.31 119.94 2dlx h LEU 135 Ca 0.21 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 2dlx h LEU 135 Cb 0.20 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2dlx h LEU 135 CO -0.02 0.16 -0.37 1.23 0.09 0.00 0.00 178.44 179.54 2dlx h GLY 136 N 0.43 0.57 0.57 0.83 0.00 -1.39 0.44 103.07 104.53 2dlx h GLY 136 Ca 0.29 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2dlx h GLY 136 CO -0.28 0.63 -0.28 -2.09 0.00 0.00 0.00 176.54 174.53 2dlx h GLU 137 N 0.15 -0.74 0.12 4.80 4.22 -0.77 -3.36 114.58 119.00 2dlx h GLU 137 Ca -0.00 0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.48 2dlx h GLU 137 Cb 0.97 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2dlx h GLU 137 CO 0.08 -0.50 -0.06 0.45 -2.18 0.00 0.00 179.01 176.81 2dlx h HIS 138 N -1.01 -0.15 0.00 0.92 3.86 -0.00 -3.51 115.15 115.26 2dlx h HIS 138 Ca -0.08 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2dlx h HIS 138 Cb 0.59 0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2dlx h HIS 138 CO 0.03 0.32 0.00 0.41 0.86 0.00 0.00 177.93 179.55 2dlx n GLY 139 N 0.45 0.23 3.36 2.45 0.00 0.15 -4.99 105.19 106.85 2dlx n GLY 139 Ca -0.08 -2.30 -0.30 0.00 0.00 0.00 0.00 46.02 43.34 2dlx n GLY 139 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dlx s GLN 140 N -0.05 1.62 0.24 1.61 -0.21 -1.26 -4.60 119.66 117.00 2dlx s GLN 140 Ca 0.00 -1.21 -0.15 0.00 0.02 0.00 0.00 55.36 54.01 2dlx s GLN 140 Cb 0.00 -1.93 0.28 0.00 1.00 0.00 0.00 33.01 32.36 2dlx s GLN 140 CO 0.00 0.48 1.56 -0.07 -2.12 0.00 0.00 175.29 175.14 2dlx h LEU 141 N 4.40 -1.24 -0.77 2.90 4.07 -1.93 0.51 115.31 123.25 2dlx h LEU 141 Ca -0.48 0.29 0.18 0.00 0.08 0.00 0.00 57.88 57.95 2dlx h LEU 141 Cb 1.15 0.68 -0.12 0.00 1.08 0.00 0.00 40.66 43.46 2dlx h LEU 141 CO 0.42 -0.30 0.14 -0.78 -1.08 0.00 0.00 178.44 176.84 2dlx h ASP 142 N -0.02 -0.08 -0.71 -0.43 3.58 -1.94 -3.43 116.42 113.40 2dlx h ASP 142 Ca 0.36 0.17 -0.55 0.00 0.42 0.00 0.00 57.03 57.43 2dlx h ASP 142 Cb 0.62 0.25 0.04 0.00 1.72 0.00 0.00 39.33 41.96 2dlx h ASP 142 CO -0.95 -0.10 -0.01 0.61 -2.88 0.00 0.00 179.24 175.92 2dlx n GLY 143 N -1.37 -0.32 0.07 -0.78 0.00 0.18 -4.90 105.19 98.06 2dlx n GLY 143 Ca 0.15 0.50 -0.05 0.00 0.00 0.00 0.00 46.02 46.63 2dlx n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dlx n LEU 144 N 1.10 1.61 -0.34 0.99 7.99 -1.26 -4.43 117.00 122.67 2dlx n LEU 144 Ca 0.14 0.51 0.13 0.00 -0.01 0.00 0.00 56.01 56.78 2dlx n LEU 144 Cb 0.07 -0.79 0.27 0.00 -0.11 0.00 0.00 43.42 42.85 2dlx n LEU 144 CO 0.43 -0.43 0.75 -0.24 -1.51 0.00 0.00 177.39 176.39 2dlx n SER 145 N -4.29 -0.14 -4.49 -1.43 2.88 -1.26 -4.01 113.62 100.88 2dlx n SER 145 Ca -0.08 1.64 -0.35 0.00 -1.33 0.00 0.00 58.87 58.76 2dlx n SER 145 Cb 0.29 -0.59 -0.12 0.00 -0.75 0.00 0.00 64.21 63.05 2dlx n SER 145 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dlx s SER 146 N -5.04 5.00 0.08 -3.46 0.01 -1.26 -5.08 113.70 103.95 2dlx s SER 146 Ca -0.13 -0.13 -0.26 0.00 1.31 0.00 0.00 55.95 56.74 2dlx s SER 146 Cb 0.28 -1.85 0.08 0.00 0.21 0.00 0.00 66.02 64.74 2dlx s SER 146 CO 0.75 0.10 0.87 -0.55 0.41 0.00 0.00 173.24 174.82 2dlx s SER 147 N 0.79 -0.33 0.10 2.44 0.15 -1.26 -4.66 113.70 110.94 2dlx s SER 147 Ca 0.01 -0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.20 2dlx s SER 147 Cb -0.14 0.46 -0.06 0.00 -1.71 0.00 0.00 66.02 64.57 2dlx s SER 147 CO 0.02 -0.79 1.06 -0.55 1.20 0.00 0.00 173.24 174.18 2dlx s SER 148 N -2.68 7.31 0.08 5.45 0.15 -1.26 -5.04 113.70 117.70 2dlx s SER 148 Ca 0.07 1.91 -0.07 0.00 0.70 0.00 0.00 55.95 58.57 2dlx s SER 148 Cb -0.01 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 2dlx s SER 148 CO -0.05 -0.24 0.34 -0.83 1.20 0.00 0.00 173.24 173.66 2dlx s GLY 149 N 0.39 2.27 0.00 9.45 0.00 -1.26 -4.97 107.32 113.21 2dlx s GLY 149 Ca 0.51 -0.52 0.11 0.00 0.00 0.00 0.00 44.72 44.82 2dlx s GLY 149 CO 0.31 -0.37 1.08 -1.55 0.00 0.00 0.00 173.10 172.57 2dlx n PRO 150 N 0.66 0.49 -0.25 2.90 -0.04 -1.26 -3.85 135.00 133.64 2dlx n PRO 150 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2dlx n PRO 150 Cb 0.52 -1.35 0.07 0.00 -0.04 0.00 0.00 33.50 32.71 2dlx n PRO 150 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dlx h SER 151 N 0.00 -0.75 -3.36 3.54 0.02 -2.03 -3.38 113.55 107.59 2dlx h SER 151 Ca 0.00 0.22 -0.53 0.00 -0.84 0.00 0.00 61.79 60.64 2dlx h SER 151 Cb 0.00 0.47 -0.34 0.00 0.14 0.00 0.00 62.40 62.67 2dlx h SER 151 CO 0.00 -0.25 -0.82 -0.94 -1.14 0.00 0.00 176.83 173.68 2dlx s SER 152 N -5.23 1.94 0.00 3.07 1.04 -1.25 -5.34 113.70 107.93 2dlx s SER 152 Ca -0.14 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2dlx s SER 152 Cb 0.21 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2dlx s SER 152 CO 0.74 0.01 0.49 0.61 0.98 0.00 0.00 173.24 176.07