#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 -0.09 0.06 1.61 0.01 -1.26 -5.06 113.70 108.97 2dlx s SER 2 Ca 0.00 0.18 -0.22 0.00 1.31 0.00 0.00 55.95 57.22 2dlx s SER 2 Cb 0.00 0.19 -0.13 0.00 0.21 0.00 0.00 66.02 66.29 2dlx s SER 2 CO 0.00 -0.04 1.51 0.77 0.41 0.00 0.00 173.24 175.90 2dlx h SER 3 N 5.98 0.20 -5.50 2.44 4.64 -2.13 -3.48 113.55 115.70 2dlx h SER 3 Ca -0.25 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2dlx h SER 3 Cb 1.20 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 2dlx h SER 3 CO 0.45 0.42 -1.03 0.61 -0.87 0.00 0.00 176.83 176.41 2dlx n GLY 4 N -0.39 -3.12 3.56 -0.77 0.00 -1.26 -5.05 105.19 98.16 2dlx n GLY 4 Ca -0.06 0.75 -0.26 0.00 0.00 0.00 0.00 46.02 46.45 2dlx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlx s SER 5 N -0.93 3.07 -0.13 1.61 1.04 -1.26 -5.08 113.70 112.03 2dlx s SER 5 Ca -0.10 -1.51 -0.23 0.00 0.48 0.00 0.00 55.95 54.59 2dlx s SER 5 Cb 0.01 0.14 -0.26 0.00 0.10 0.00 0.00 66.02 66.01 2dlx s SER 5 CO 0.51 -0.72 0.64 0.77 0.98 0.00 0.00 173.24 175.43 2dlx h SER 6 N 1.82 0.18 -6.71 7.02 4.64 -2.07 -3.48 113.55 114.95 2dlx h SER 6 Ca -0.40 -0.86 -0.39 0.00 -0.47 0.00 0.00 61.79 59.66 2dlx h SER 6 Cb 1.26 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2dlx h SER 6 CO 0.69 1.31 -0.75 0.61 -0.87 0.00 0.00 176.83 177.82 2dlx n GLY 7 N 1.61 -0.74 0.10 -0.77 0.00 -1.26 -4.85 105.19 99.28 2dlx n GLY 7 Ca -0.18 0.32 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2dlx n GLY 7 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2dlx n ILE 8 N -2.99 1.57 -3.84 -0.61 0.13 -1.26 -4.99 119.36 107.36 2dlx n ILE 8 Ca -0.15 -0.78 -0.26 0.00 -1.10 0.00 0.00 62.75 60.46 2dlx n ILE 8 Cb 0.44 -1.00 0.02 0.00 -0.84 0.00 0.00 39.64 38.26 2dlx n ILE 8 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 2dlx n ASP 9 N -3.04 -2.42 -4.75 9.51 2.03 -1.26 -4.89 116.55 111.73 2dlx n ASP 9 Ca -0.25 -0.84 -0.39 0.00 0.52 0.00 0.00 54.79 53.83 2dlx n ASP 9 Cb 1.08 -3.79 0.04 0.00 -0.72 0.00 0.00 41.12 37.73 2dlx n ASP 9 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2dlx n LYS 10 N -4.44 1.82 -3.66 -0.67 0.00 -1.26 -5.02 118.16 104.93 2dlx n LYS 10 Ca -0.16 0.67 -0.06 0.00 -0.00 0.00 0.00 58.31 58.76 2dlx n LYS 10 Cb 0.62 -2.60 -0.07 0.00 -0.00 0.00 0.00 35.03 32.97 2dlx n LYS 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2dlx s LYS 11 N -2.80 0.44 0.30 -1.58 -2.85 -1.26 -5.17 119.74 106.81 2dlx s LYS 11 Ca 0.69 1.20 -0.08 0.00 -1.00 0.00 0.00 55.97 56.78 2dlx s LYS 11 Cb -0.42 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 2dlx s LYS 11 CO 0.51 -0.22 0.49 -0.51 0.10 0.00 0.00 175.35 175.72 2dlx s LEU 12 N 2.65 0.60 0.34 2.77 1.02 -1.26 -5.14 118.68 119.67 2dlx s LEU 12 Ca -0.04 -1.19 -0.28 0.00 0.02 0.00 0.00 54.13 52.64 2dlx s LEU 12 Cb -0.12 1.69 -0.12 0.00 0.02 0.00 0.00 46.19 47.66 2dlx s LEU 12 CO -0.15 -1.25 1.25 0.35 0.02 0.00 0.00 176.35 176.57 2dlx n THR 13 N -0.46 2.06 -2.36 5.49 -2.24 -1.26 -4.90 114.28 110.61 2dlx n THR 13 Ca -0.01 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.84 2dlx n THR 13 Cb 0.62 -1.49 -0.02 0.00 -2.10 0.00 0.00 70.33 67.33 2dlx n THR 13 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dlx s THR 14 N -1.10 4.16 -0.27 4.28 2.01 -1.26 -4.98 115.64 118.47 2dlx s THR 14 Ca 0.56 1.38 -0.00 0.00 0.31 0.00 0.00 61.69 63.94 2dlx s THR 14 Cb -0.58 -3.95 0.15 0.00 0.01 0.00 0.00 72.50 68.13 2dlx s THR 14 CO 0.62 -0.19 0.42 -0.76 -0.69 0.00 0.00 174.62 174.02 2dlx s LEU 15 N 3.79 -0.82 -0.03 4.42 1.43 -1.26 -5.06 118.68 121.15 2dlx s LEU 15 Ca 0.58 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.68 2dlx s LEU 15 Cb -0.22 1.25 -0.01 0.00 0.03 0.00 0.00 46.19 47.24 2dlx s LEU 15 CO 0.18 -0.32 -0.05 0.00 0.23 0.00 0.00 176.35 176.39 2dlx n ALA 16 N 5.37 0.14 -2.73 4.21 0.00 -1.26 -4.97 120.51 121.26 2dlx n ALA 16 Ca -0.01 -0.28 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 2dlx n ALA 16 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2dlx n ALA 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dlx n ASP 17 N -2.82 -4.53 -4.12 0.00 2.03 -1.26 -4.95 116.55 100.89 2dlx n ASP 17 Ca -0.02 -0.04 -0.26 0.00 0.52 0.00 0.00 54.79 54.98 2dlx n ASP 17 Cb 0.08 -3.78 -0.16 0.00 -0.72 0.00 0.00 41.12 36.54 2dlx n ASP 17 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2dlx s LEU 18 N -6.05 1.89 -0.06 -2.67 0.05 -1.26 -5.01 118.68 105.57 2dlx s LEU 18 Ca 0.14 -0.35 0.01 0.00 0.05 0.00 0.00 54.13 53.98 2dlx s LEU 18 Cb -0.07 -0.96 -0.04 0.00 -2.05 0.00 0.00 46.19 43.07 2dlx s LEU 18 CO 0.17 0.14 -0.04 0.49 -0.55 0.00 0.00 176.35 176.56 2dlx n PHE 19 N 3.22 0.00 -3.80 3.48 3.01 -1.26 -5.06 117.46 117.06 2dlx n PHE 19 Ca -0.19 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.15 2dlx n PHE 19 Cb 0.53 -0.23 -0.12 0.00 -0.01 0.00 0.00 39.48 39.65 2dlx n PHE 19 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 2dlx s ARG 20 N -2.12 0.27 0.22 -1.08 3.03 -1.26 -4.97 118.95 113.04 2dlx s ARG 20 Ca -0.07 0.28 -0.30 0.00 2.03 0.00 0.00 55.73 57.67 2dlx s ARG 20 Cb 0.02 0.13 -0.09 0.00 -1.03 0.00 0.00 34.95 33.98 2dlx s ARG 20 CO 0.15 -0.03 1.29 -1.25 -1.13 0.00 0.00 175.30 174.33 2dlx s PRO 21 N 0.06 4.40 0.00 3.89 0.04 -1.26 -4.90 135.00 137.23 2dlx s PRO 21 Ca -0.01 2.05 0.15 0.00 0.04 0.00 0.00 61.00 63.24 2dlx s PRO 21 Cb -0.02 -3.18 0.88 0.00 0.04 0.00 0.00 34.50 32.23 2dlx s PRO 21 CO 0.00 -0.21 1.36 -0.35 0.04 0.00 0.00 177.00 177.84 2dlx n PRO 22 N 2.28 0.42 -0.57 0.56 -0.04 -1.26 -3.83 135.00 132.56 2dlx n PRO 22 Ca 0.05 0.04 0.46 0.00 -0.04 0.00 0.00 63.50 64.00 2dlx n PRO 22 Cb 0.43 -1.50 0.70 0.00 -0.04 0.00 0.00 33.50 33.09 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 -1.07 0.00 -3.70 0.52 -5.35 -1.26 -4.71 119.36 103.79 2dlx n ILE 23 Ca 0.10 1.38 -0.28 0.00 -0.27 0.00 0.00 62.75 63.68 2dlx n ILE 23 Cb 0.07 -2.33 0.00 0.00 -1.74 0.00 0.00 39.64 35.64 2dlx n ILE 23 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2dlx n ASP 24 N -3.68 -4.13 -2.81 7.28 2.03 -1.25 -0.65 116.55 113.35 2dlx n ASP 24 Ca 0.38 -0.64 -0.16 0.00 0.52 0.00 0.00 54.79 54.89 2dlx n ASP 24 Cb 1.84 -3.36 0.06 0.00 -0.72 0.00 0.00 41.12 38.94 2dlx n ASP 24 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dlx n LEU 25 N -4.19 -3.20 -4.51 -2.67 4.77 -1.26 -4.98 117.00 100.96 2dlx n LEU 25 Ca 0.02 -0.42 -0.43 0.00 -0.03 0.00 0.00 56.01 55.15 2dlx n LEU 25 Cb 0.53 -2.41 -0.08 0.00 -2.33 0.00 0.00 43.42 39.13 2dlx n LEU 25 CO 0.66 0.42 0.21 -0.04 -1.33 0.00 0.00 177.39 177.32 2dlx s MET 26 N -5.67 3.28 -0.10 3.23 -1.94 0.18 -4.58 119.30 113.69 2dlx s MET 26 Ca 0.30 -0.50 0.14 0.00 -1.71 0.00 0.00 55.69 53.92 2dlx s MET 26 Cb -0.13 -3.92 0.28 0.00 2.01 0.00 0.00 34.83 33.06 2dlx s MET 26 CO 0.54 -0.84 1.18 1.58 -0.01 0.00 0.00 175.02 177.47 2dlx n HIS 27 N 5.82 0.20 -2.39 -0.03 -0.00 -1.21 -5.03 115.22 112.58 2dlx n HIS 27 Ca -0.05 -0.85 -0.39 0.00 -0.00 0.00 0.00 57.72 56.44 2dlx n HIS 27 Cb 0.48 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.99 30.28 2dlx n HIS 27 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 2dlx s LYS 28 N -2.37 4.31 0.00 1.57 -2.85 -1.26 -4.77 119.74 114.36 2dlx s LYS 28 Ca 0.27 1.80 0.00 0.00 -1.00 0.00 0.00 55.97 57.04 2dlx s LYS 28 Cb 0.22 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 2dlx s LYS 28 CO 0.04 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.82 2dlx n GLY 29 N 0.79 -1.25 3.74 0.59 0.00 -1.26 -5.10 105.19 102.69 2dlx n GLY 29 Ca 0.02 0.56 -0.35 0.00 0.00 0.00 0.00 46.02 46.25 2dlx n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlx s SER 30 N -4.00 5.80 0.22 1.61 0.01 -1.26 -5.00 113.70 111.07 2dlx s SER 30 Ca 0.00 0.24 -0.08 0.00 1.31 0.00 0.00 55.95 57.42 2dlx s SER 30 Cb 0.00 -1.87 0.31 0.00 0.21 0.00 0.00 66.02 64.68 2dlx s SER 30 CO 0.00 0.31 1.76 2.19 0.41 0.00 0.00 173.24 177.91 2dlx h PHE 31 N 5.67 0.50 0.03 2.43 -0.00 -2.00 -1.01 116.94 122.56 2dlx h PHE 31 Ca -0.47 0.03 -0.00 0.00 -0.00 0.00 0.00 57.97 57.53 2dlx h PHE 31 Cb 1.19 -0.12 0.00 0.00 -0.00 0.00 0.00 35.95 37.02 2dlx h PHE 31 CO 0.65 0.15 -0.01 1.49 -0.00 0.00 0.00 178.31 180.58 2dlx h GLU 32 N 0.49 -0.04 -0.27 6.09 4.81 -2.01 -3.21 114.58 120.44 2dlx h GLU 32 Ca 0.33 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.63 2dlx h GLU 32 Cb 0.39 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 2dlx h GLU 32 CO -0.30 0.22 -0.25 1.15 -0.73 0.00 0.00 179.01 179.11 2dlx h THR 33 N -0.30 0.37 -0.91 0.32 2.02 -1.85 0.09 112.91 112.64 2dlx h THR 33 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 2dlx h THR 33 Cb 0.28 0.37 -0.14 0.00 -1.74 0.00 0.00 68.15 66.91 2dlx h THR 33 CO 0.01 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 175.52 2dlx n ALA 34 N -2.84 -0.16 -0.04 6.16 0.00 -0.43 -0.44 120.51 122.77 2dlx n ALA 34 Ca -0.00 0.89 -0.13 0.00 0.00 0.00 0.00 53.44 54.20 2dlx n ALA 34 Cb 0.30 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 2dlx n ALA 34 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2dlx h LYS 35 N 0.00 0.22 -0.90 0.00 1.57 -1.44 -3.29 116.57 112.73 2dlx h LYS 35 Ca 0.30 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 59.06 2dlx h LYS 35 Cb 0.53 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.72 2dlx h LYS 35 CO -0.90 0.60 -0.56 0.93 -0.57 0.00 0.00 179.45 178.95 2dlx h GLU 36 N -0.17 -0.04 -0.53 3.15 5.08 0.12 -1.26 114.58 120.94 2dlx h GLU 36 Ca 0.02 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2dlx h GLU 36 Cb 0.55 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 2dlx h GLU 36 CO 0.02 -0.02 -0.39 0.00 -1.00 0.00 0.00 179.01 177.61 2dlx n GLY 38 N -1.20 -0.72 0.08 0.00 0.00 -0.49 0.79 105.19 103.65 2dlx n GLY 38 Ca -0.00 0.72 -0.13 0.00 0.00 0.00 0.00 46.02 46.60 2dlx n GLY 38 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2dlx h GLN 39 N 0.00 0.11 0.66 1.61 4.20 -0.31 0.98 115.11 122.36 2dlx h GLN 39 Ca 0.70 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 59.31 2dlx h GLN 39 Cb 1.81 0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.61 2dlx h GLN 39 CO -0.68 0.63 -0.32 0.52 -0.67 0.00 0.00 178.83 178.30 2dlx h MET 40 N -0.39 -0.86 0.00 1.46 2.86 0.13 -2.91 114.93 115.22 2dlx h MET 40 Ca 0.00 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2dlx h MET 40 Cb 0.62 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2dlx h MET 40 CO 0.01 -0.57 0.00 1.04 1.06 0.00 0.00 176.91 178.45 2dlx n GLN 41 N -5.16 0.60 -3.85 1.72 1.13 0.18 -4.30 117.38 107.70 2dlx n GLN 41 Ca -0.11 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.70 2dlx n GLN 41 Cb 0.35 -1.43 0.01 0.00 0.11 0.00 0.00 30.24 29.28 2dlx n GLN 41 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2dlx n ASN 42 N -0.93 -1.83 -4.34 1.08 6.94 0.18 -4.97 115.26 111.39 2dlx n ASN 42 Ca 0.12 -0.87 -0.25 0.00 -0.02 0.00 0.00 54.58 53.56 2dlx n ASN 42 Cb 0.06 -3.67 -0.12 0.00 -2.36 0.00 0.00 39.78 33.68 2dlx n ASN 42 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2dlx s LYS 43 N -6.33 1.29 0.95 -3.83 1.02 0.32 -4.17 119.74 108.99 2dlx s LYS 43 Ca 0.19 -1.31 -0.13 0.00 0.02 0.00 0.00 55.97 54.73 2dlx s LYS 43 Cb -0.10 -1.59 0.16 0.00 -0.52 0.00 0.00 37.83 35.78 2dlx s LYS 43 CO 0.84 0.36 1.14 -1.58 -0.92 0.00 0.00 175.35 175.20 2dlx s TRP 44 N -1.36 2.21 -0.11 3.18 0.52 0.22 -4.10 118.94 119.51 2dlx s TRP 44 Ca 0.12 0.79 0.03 0.00 0.02 0.00 0.00 56.10 57.07 2dlx s TRP 44 Cb -0.09 -3.44 -0.00 0.00 -1.15 0.00 0.00 33.47 28.79 2dlx s TRP 44 CO 0.06 -2.60 -0.22 -1.17 0.02 0.00 0.00 176.95 173.04 2dlx s LEU 45 N -6.16 2.17 -0.29 2.99 2.96 -1.19 -1.10 118.68 118.07 2dlx s LEU 45 Ca 0.65 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 54.00 2dlx s LEU 45 Cb -0.14 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.14 2dlx s LEU 45 CO 0.54 0.15 0.01 -0.32 -1.32 0.00 0.00 176.35 175.41 2dlx s MET 46 N 0.38 2.71 -0.03 1.98 -2.45 -1.04 -2.72 119.30 118.13 2dlx s MET 46 Ca -0.17 -1.08 -0.07 0.00 -1.25 0.00 0.00 55.69 53.12 2dlx s MET 46 Cb -0.18 -3.18 -0.05 0.00 1.25 0.00 0.00 34.83 32.68 2dlx s MET 46 CO 0.08 -0.52 0.24 0.42 1.05 0.00 0.00 175.02 176.29 2dlx s ILE 47 N 1.34 5.35 -0.23 10.11 -1.09 -1.12 -2.81 121.20 132.74 2dlx s ILE 47 Ca -0.02 0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 58.60 2dlx s ILE 47 Cb -0.18 -3.53 0.12 0.00 -1.58 0.00 0.00 42.46 37.29 2dlx s ILE 47 CO -0.01 0.46 0.37 0.21 -1.23 0.00 0.00 174.94 174.74 2dlx s ASN 48 N -1.46 0.27 -0.30 3.58 3.84 -1.05 -3.32 114.94 116.51 2dlx s ASN 48 Ca 0.23 0.29 -0.18 0.00 0.21 0.00 0.00 52.86 53.41 2dlx s ASN 48 Cb -0.13 1.07 -0.02 0.00 -0.55 0.00 0.00 41.25 41.62 2dlx s ASN 48 CO 0.12 -0.29 0.50 -0.63 -2.79 0.00 0.00 177.10 174.01 2dlx s ILE 49 N 2.53 5.06 -0.22 -5.21 -1.09 -1.05 -3.06 121.20 118.16 2dlx s ILE 49 Ca 0.10 0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 59.11 2dlx s ILE 49 Cb -0.15 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 2dlx s ILE 49 CO -0.15 -0.02 0.02 -1.10 -1.23 0.00 0.00 174.94 172.46 2dlx s GLN 50 N 2.32 3.63 -0.43 2.79 -0.21 -1.16 -3.82 119.66 122.78 2dlx s GLN 50 Ca 0.20 -0.51 -0.20 0.00 0.02 0.00 0.00 55.36 54.87 2dlx s GLN 50 Cb -0.16 -3.16 0.02 0.00 1.00 0.00 0.00 33.01 30.71 2dlx s GLN 50 CO 0.11 -0.06 0.62 1.21 -2.12 0.00 0.00 175.29 175.05 2dlx s ASN 51 N 1.22 6.31 0.31 5.90 2.47 -1.26 -3.86 114.94 126.02 2dlx s ASN 51 Ca 0.04 -0.36 0.17 0.00 0.42 0.00 0.00 52.86 53.12 2dlx s ASN 51 Cb -0.15 -2.31 1.10 0.00 -1.45 0.00 0.00 41.25 38.44 2dlx s ASN 51 CO 0.02 -0.75 1.32 0.55 -3.72 0.00 0.00 177.10 174.51 2dlx n VAL 52 N 5.80 -0.35 0.12 -5.21 3.14 -1.26 -0.80 118.33 119.76 2dlx n VAL 52 Ca -0.02 1.70 -0.05 0.00 -2.96 0.00 0.00 64.34 63.01 2dlx n VAL 52 Cb 0.48 -2.75 -0.02 0.00 -1.06 0.00 0.00 33.84 30.49 2dlx n VAL 52 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 2dlx h GLN 53 N 0.00 -0.30 -6.43 1.45 1.08 -2.05 -3.43 115.11 105.43 2dlx h GLN 53 Ca 0.70 0.02 -0.58 0.00 -1.45 0.00 0.00 58.65 57.34 2dlx h GLN 53 Cb 1.83 0.07 0.04 0.00 -0.05 0.00 0.00 27.48 29.37 2dlx h GLN 53 CO -0.65 -0.20 0.98 -0.25 -0.95 0.00 0.00 178.83 177.76 2dlx n ASP 54 N -3.27 3.46 -0.01 1.46 8.00 0.02 -4.90 116.55 121.30 2dlx n ASP 54 Ca -0.04 1.02 -0.21 0.00 0.71 0.00 0.00 54.79 56.28 2dlx n ASP 54 Cb 0.12 -1.44 -0.14 0.00 -0.02 0.00 0.00 41.12 39.65 2dlx n ASP 54 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2dlx h PHE 55 N 7.69 0.37 -0.73 1.24 0.04 -1.84 -3.35 116.94 120.34 2dlx h PHE 55 Ca -0.46 -0.27 0.28 0.00 2.80 0.00 0.00 57.97 60.31 2dlx h PHE 55 Cb 1.25 -0.01 -0.10 0.00 2.20 0.00 0.00 35.95 39.29 2dlx h PHE 55 CO 0.75 1.45 0.44 0.00 -0.60 0.00 0.00 178.31 180.36 2dlx n ALA 56 N -2.93 0.74 0.23 2.45 0.00 -1.26 0.16 120.51 119.90 2dlx n ALA 56 Ca -0.22 0.58 -0.15 0.00 0.00 0.00 0.00 53.44 53.64 2dlx n ALA 56 Cb 0.82 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.62 0.29 -0.78 0.00 3.07 0.13 -2.09 115.11 115.11 2dlx h GLN 58 Ca -0.04 -0.04 0.23 0.00 0.09 0.00 0.00 58.65 58.89 2dlx h GLN 58 Cb 0.52 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 28.00 2dlx h GLN 58 CO 0.02 0.31 0.63 0.00 0.09 0.00 0.00 178.83 179.88 2dlx h LEU 60 N 0.00 -0.13 -0.85 0.00 4.07 -1.36 -3.10 115.31 113.94 2dlx h LEU 60 Ca 0.37 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2dlx h LEU 60 Cb 1.63 0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.40 2dlx h LEU 60 CO -0.00 0.47 0.27 -3.20 -1.08 0.00 0.00 178.44 174.89 2dlx n ASN 61 N -4.87 0.33 0.25 -0.43 2.85 -0.42 0.13 115.26 113.10 2dlx n ASN 61 Ca -0.08 0.55 -0.14 0.00 -0.11 0.00 0.00 54.58 54.81 2dlx n ASN 61 Cb 0.28 -0.51 -0.07 0.00 1.24 0.00 0.00 39.78 40.72 2dlx n ASN 61 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2dlx h ARG 62 N 0.00 -0.64 0.00 1.20 2.47 -1.41 -3.30 114.38 112.70 2dlx h ARG 62 Ca 0.00 0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 2dlx h ARG 62 Cb 0.54 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.00 2dlx h ARG 62 CO 0.00 -0.34 -1.15 -3.47 0.56 0.00 0.00 179.97 175.57 2dlx n ASP 63 N -5.26 3.99 0.00 7.04 2.03 -0.61 -4.38 116.55 119.36 2dlx n ASP 63 Ca -0.10 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2dlx n ASP 63 Cb 0.31 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 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 -2.44 0.00 0.96 5.18 0.31 0.34 -0.28 118.33 122.39 2dlx n VAL 64 Ca -0.04 1.48 0.01 0.00 -0.01 0.00 0.00 64.34 65.78 2dlx n VAL 64 Cb 0.56 -2.39 0.05 0.00 -0.91 0.00 0.00 33.84 31.15 2dlx n VAL 64 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2dlx n TRP 65 N -2.15 0.22 -0.05 3.52 5.03 -0.99 -3.40 117.44 119.62 2dlx n TRP 65 Ca 0.00 -0.08 -0.06 0.00 3.03 0.00 0.00 57.50 60.39 2dlx n TRP 65 Cb 0.00 -0.12 -0.05 0.00 -1.03 0.00 0.00 31.31 30.11 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 0.01 3.10 -4.55 -0.99 2.88 -1.00 -4.86 113.62 108.20 2dlx n SER 66 Ca 0.03 -0.04 -0.45 0.00 -1.33 0.00 0.00 58.87 57.08 2dlx n SER 66 Cb 0.31 0.13 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 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 -2.64 2.92 -0.27 -3.46 2.85 0.61 -4.83 115.26 110.44 2dlx n ASN 67 Ca -0.17 0.24 -0.02 0.00 -0.11 0.00 0.00 54.58 54.52 2dlx n ASN 67 Cb 0.72 -1.47 0.01 0.00 1.24 0.00 0.00 39.78 40.28 2dlx n ASN 67 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2dlx n GLU 68 N 8.62 -0.19 -0.37 1.20 4.07 -1.26 0.14 120.64 132.85 2dlx n GLU 68 Ca 0.33 1.04 -0.11 0.00 -0.06 0.00 0.00 57.16 58.36 2dlx n GLU 68 Cb 0.39 -1.54 -0.10 0.00 -0.06 0.00 0.00 31.44 30.13 2dlx n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2dlx h ALA 69 N 0.80 -0.58 -0.50 4.31 0.00 -1.97 0.88 119.26 122.21 2dlx h ALA 69 Ca 0.21 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.31 2dlx h ALA 69 Cb 0.38 1.33 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 2dlx h ALA 69 CO -0.67 -0.97 -0.36 0.28 0.00 0.00 0.00 179.25 177.54 2dlx h VAL 70 N -0.06 0.17 -0.36 0.00 2.07 -0.59 -0.70 116.25 116.78 2dlx h VAL 70 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 2dlx h VAL 70 Cb 0.43 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 2dlx h VAL 70 CO -0.87 0.00 -0.07 0.11 0.02 0.00 0.00 177.57 176.76 2dlx h LYS 71 N -0.22 0.02 0.00 1.57 1.57 -0.78 0.28 116.57 119.01 2dlx h LYS 71 Ca 0.19 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2dlx h LYS 71 Cb 0.55 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2dlx h LYS 71 CO -0.62 0.01 0.18 -0.91 -0.57 0.00 0.00 179.45 177.54 2dlx h ASN 72 N 0.02 0.00 0.06 0.86 2.35 0.53 0.27 115.58 119.67 2dlx h ASN 72 Ca 0.17 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.61 2dlx h ASN 72 Cb 0.26 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 2dlx h ASN 72 CO -0.35 0.00 -1.70 -0.38 -1.65 0.00 0.00 177.43 173.35 2dlx n ILE 73 N -2.95 1.65 1.69 2.81 5.41 0.74 -3.64 119.36 125.05 2dlx n ILE 73 Ca -0.02 -0.34 0.01 0.00 1.00 0.00 0.00 62.75 63.39 2dlx n ILE 73 Cb 0.23 -1.88 0.02 0.00 -0.71 0.00 0.00 39.64 37.31 2dlx n ILE 73 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2dlx n ILE 74 N -3.96 0.09 -0.04 1.39 5.41 0.17 -0.98 119.36 121.43 2dlx n ILE 74 Ca -0.34 -0.07 -0.04 0.00 1.00 0.00 0.00 62.75 63.30 2dlx n ILE 74 Cb 0.87 -0.05 -0.07 0.00 -0.71 0.00 0.00 39.64 39.68 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 -0.29 2.59 -0.07 0.38 1.85 -0.00 -2.91 116.66 118.20 2dlx n ARG 75 Ca 0.02 -0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.77 2dlx n ARG 75 Cb 0.09 -1.22 -0.08 0.00 -1.05 0.00 0.00 32.46 30.20 2dlx n ARG 75 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2dlx n GLU 76 N -2.32 0.85 -0.04 2.89 4.07 -1.20 -4.82 120.64 120.07 2dlx n GLU 76 Ca -0.14 0.06 -0.03 0.00 -0.06 0.00 0.00 57.16 57.00 2dlx n GLU 76 Cb 0.77 -1.32 -0.01 0.00 -0.06 0.00 0.00 31.44 30.83 2dlx n GLU 76 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2dlx h HIS 77 N 0.00 0.00 -0.79 4.31 3.86 -1.32 -3.45 115.15 117.76 2dlx h HIS 77 Ca -0.35 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.34 2dlx h HIS 77 Cb 1.61 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.08 2dlx h HIS 77 CO 0.01 0.00 -0.20 -0.06 0.86 0.00 0.00 177.93 178.55 2dlx s PHE 78 N -1.73 1.64 -0.18 2.45 0.40 -1.03 0.73 117.98 120.25 2dlx s PHE 78 Ca -0.08 -0.74 0.01 0.00 -0.60 0.00 0.00 56.93 55.52 2dlx s PHE 78 Cb 0.01 -2.11 0.02 0.00 0.51 0.00 0.00 43.02 41.45 2dlx s PHE 78 CO 0.12 -0.81 -0.19 0.42 0.70 0.00 0.00 175.22 175.47 2dlx s ILE 79 N -2.68 2.18 -0.13 0.64 -1.09 -0.26 -3.11 121.20 116.76 2dlx s ILE 79 Ca 0.51 -0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 57.74 2dlx s ILE 79 Cb -0.05 -1.92 -0.06 0.00 -1.58 0.00 0.00 42.46 38.86 2dlx s ILE 79 CO 0.32 0.53 1.99 0.12 -1.23 0.00 0.00 174.94 176.66 2dlx s PHE 80 N 1.29 1.43 -0.24 3.97 5.36 -1.15 -2.50 117.98 126.13 2dlx s PHE 80 Ca 0.05 0.19 -0.04 0.00 -0.96 0.00 0.00 56.93 56.16 2dlx s PHE 80 Cb -0.13 -4.06 0.08 0.00 -0.34 0.00 0.00 43.02 38.58 2dlx s PHE 80 CO -0.12 -4.33 0.11 -0.46 -1.46 0.00 0.00 175.22 168.97 2dlx s TRP 81 N 6.24 0.35 -0.11 10.12 -0.00 -1.13 -3.35 118.94 131.07 2dlx s TRP 81 Ca 0.89 -0.70 0.03 0.00 -0.00 0.00 0.00 56.10 56.32 2dlx s TRP 81 Cb -0.34 -0.86 0.01 0.00 -0.00 0.00 0.00 33.47 32.28 2dlx s TRP 81 CO 0.36 -0.70 -0.20 -1.14 -0.00 0.00 0.00 176.95 175.26 2dlx s GLN 82 N 2.09 2.70 0.02 5.86 0.74 -1.26 -2.53 119.66 127.27 2dlx s GLN 82 Ca 0.06 -0.75 -0.01 0.00 0.05 0.00 0.00 55.36 54.71 2dlx s GLN 82 Cb -0.16 -2.13 -0.02 0.00 1.10 0.00 0.00 33.01 31.81 2dlx s GLN 82 CO -0.25 0.07 -0.01 0.14 -0.55 0.00 0.00 175.29 174.69 2dlx s VAL 83 N 0.61 0.11 0.53 1.34 -7.23 -1.17 -4.96 120.40 109.62 2dlx s VAL 83 Ca -0.13 -0.87 -0.08 0.00 -1.81 0.00 0.00 61.98 59.09 2dlx s VAL 83 Cb -0.17 -0.28 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 2dlx s VAL 83 CO 0.04 -0.48 0.88 -0.31 -0.31 0.00 0.00 175.10 174.92 2dlx s TYR 84 N -1.43 3.58 -1.39 2.82 1.51 -1.26 -2.97 117.35 118.21 2dlx s TYR 84 Ca -0.16 1.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.92 2dlx s TYR 84 Cb -0.10 -2.47 0.06 0.00 -0.11 0.00 0.00 41.96 39.35 2dlx s TYR 84 CO -0.01 -0.42 0.79 -2.39 -1.11 0.00 0.00 175.55 172.41 2dlx n HIS 85 N -2.39 0.13 -0.06 2.71 1.44 -1.25 -3.37 115.22 112.44 2dlx n HIS 85 Ca 0.03 -0.05 -0.07 0.00 -2.01 0.00 0.00 57.72 55.62 2dlx n HIS 85 Cb 0.55 -0.08 -0.06 0.00 0.12 0.00 0.00 29.99 30.52 2dlx n HIS 85 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2dlx n ASP 86 N -0.11 3.00 -4.30 4.39 -0.08 -1.26 -4.40 116.55 113.78 2dlx n ASP 86 Ca 0.02 -0.05 -0.28 0.00 -1.51 0.00 0.00 54.79 52.97 2dlx n ASP 86 Cb 0.21 0.05 0.27 0.00 2.34 0.00 0.00 41.12 43.98 2dlx n ASP 86 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2dlx s SER 87 N -4.88 0.44 0.06 1.67 1.04 -1.22 -4.70 113.70 106.12 2dlx s SER 87 Ca -0.13 1.38 -0.35 0.00 0.48 0.00 0.00 55.95 57.33 2dlx s SER 87 Cb 0.04 -2.12 -0.19 0.00 0.10 0.00 0.00 66.02 63.85 2dlx s SER 87 CO 0.30 -4.51 1.52 -0.33 0.98 0.00 0.00 173.24 171.20 2dlx h GLU 88 N -2.84 -1.18 -0.55 4.02 5.08 -1.96 -1.68 114.58 115.48 2dlx h GLU 88 Ca -0.60 0.08 0.11 0.00 -1.00 0.00 0.00 59.36 57.95 2dlx h GLU 88 Cb 1.34 0.27 -0.10 0.00 0.50 0.00 0.00 28.75 30.76 2dlx h GLU 88 CO 0.47 -0.78 -0.11 0.93 -1.00 0.00 0.00 179.01 178.52 2dlx h GLU 89 N -1.22 0.02 -0.26 2.33 3.07 -1.92 -1.62 114.58 114.97 2dlx h GLU 89 Ca -0.12 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.80 2dlx h GLU 89 Cb 0.95 -0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.79 2dlx h GLU 89 CO 0.18 0.01 -0.14 0.78 -1.40 0.00 0.00 179.01 178.44 2dlx h GLY 90 N 0.02 0.07 0.03 -3.84 0.00 -1.64 0.25 103.07 97.96 2dlx h GLY 90 Ca 0.27 0.17 0.17 0.00 0.00 0.00 0.00 47.33 47.94 2dlx h GLY 90 CO -0.55 -0.15 0.36 1.46 0.00 0.00 0.00 176.54 177.66 2dlx h GLN 91 N -0.11 0.45 0.56 4.80 1.08 -0.33 -2.18 115.11 119.38 2dlx h GLN 91 Ca 0.14 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 2dlx h GLN 91 Cb 0.32 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2dlx h GLN 91 CO -0.33 0.30 -0.27 0.00 -0.95 0.00 0.00 178.83 177.58 2dlx h ARG 92 N 0.47 -0.72 -0.80 1.46 3.08 -0.91 -3.28 114.38 113.67 2dlx h ARG 92 Ca 0.48 0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.72 2dlx h ARG 92 Cb 0.79 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 30.87 2dlx h ARG 92 CO -0.44 -0.47 -0.27 0.98 -1.07 0.00 0.00 179.97 178.69 2dlx n TYR 93 N -5.27 0.12 -0.36 3.04 4.19 -0.01 -0.00 117.16 118.86 2dlx n TYR 93 Ca -0.10 0.99 -0.05 0.00 3.31 0.00 0.00 57.90 62.05 2dlx n TYR 93 Cb 0.30 -0.86 -0.03 0.00 0.49 0.00 0.00 39.34 39.25 2dlx n TYR 93 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 2dlx n ILE 94 N -5.23 -0.54 -0.22 2.97 5.41 -0.85 0.55 119.36 121.45 2dlx n ILE 94 Ca 0.10 2.13 -0.07 0.00 1.00 0.00 0.00 62.75 65.91 2dlx n ILE 94 Cb 0.35 -2.72 0.03 0.00 -0.71 0.00 0.00 39.64 36.59 2dlx n ILE 94 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2dlx h GLN 95 N 0.00 0.87 -0.66 0.38 1.08 -0.55 1.12 115.11 117.33 2dlx h GLN 95 Ca 0.23 -0.11 0.06 0.00 -1.45 0.00 0.00 58.65 57.38 2dlx h GLN 95 Cb 0.45 -0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 27.64 2dlx h GLN 95 CO -0.87 0.68 -0.39 0.34 -0.95 0.00 0.00 178.83 177.64 2dlx n PHE 96 N -4.54 -0.29 -0.69 2.96 -0.00 0.19 -1.00 117.46 114.09 2dlx n PHE 96 Ca 0.04 0.83 0.07 0.00 -0.00 0.00 0.00 57.45 58.40 2dlx n PHE 96 Cb 0.10 -0.54 0.21 0.00 -0.00 0.00 0.00 39.48 39.26 2dlx n PHE 96 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2dlx n TYR 97 N -4.62 0.72 -3.94 -5.13 4.02 -1.09 -4.96 117.16 102.16 2dlx n TYR 97 Ca 0.01 -0.74 -0.30 0.00 -0.01 0.00 0.00 57.90 56.86 2dlx n TYR 97 Cb 0.17 -0.21 0.02 0.00 -0.02 0.00 0.00 39.34 39.30 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 -0.20 -5.00 -1.11 -0.72 4.01 0.34 -4.90 118.16 110.58 2dlx n LYS 98 Ca 0.17 0.56 -0.34 0.00 -0.51 0.00 0.00 58.31 58.19 2dlx n LYS 98 Cb 0.71 -5.35 0.11 0.00 -0.51 0.00 0.00 35.03 29.99 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 -4.58 2.42 0.00 -0.35 0.00 0.15 -4.91 117.00 109.73 2dlx n LEU 99 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 56.01 56.54 2dlx n LEU 99 Cb 0.55 -1.36 0.00 0.00 0.00 0.00 0.00 43.42 42.61 2dlx n LEU 99 CO 0.76 -2.50 0.00 0.61 0.00 0.00 0.00 177.39 176.26 2dlx n GLY 100 N 1.09 0.09 4.01 -3.96 0.00 -1.26 -4.87 105.19 100.28 2dlx n GLY 100 Ca 0.11 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.04 5.53 0.01 1.61 1.01 -1.26 -5.14 116.67 117.40 2dlx s ASP 101 Ca 0.00 -0.39 -0.20 0.00 0.71 0.00 0.00 52.55 52.68 2dlx s ASP 101 Cb 0.00 -0.61 0.04 0.00 1.01 0.00 0.00 42.92 43.36 2dlx s ASP 101 CO 0.00 -0.89 0.44 -0.36 0.21 0.00 0.00 175.17 174.57 2dlx s PHE 102 N -2.46 -0.33 1.15 4.23 0.40 -1.26 -4.46 117.98 115.26 2dlx s PHE 102 Ca 0.56 0.43 -0.17 0.00 -0.60 0.00 0.00 56.93 57.15 2dlx s PHE 102 Cb -0.10 0.23 0.26 0.00 0.51 0.00 0.00 43.02 43.92 2dlx s PHE 102 CO 0.35 -0.53 1.11 -1.25 0.70 0.00 0.00 175.22 175.59 2dlx s PRO 103 N -1.86 -0.83 -0.04 0.24 0.04 -1.26 -5.00 135.00 126.29 2dlx s PRO 103 Ca -0.09 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.03 2dlx s PRO 103 Cb -0.02 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.91 2dlx s PRO 103 CO 0.02 -3.48 -0.02 -0.47 0.04 0.00 0.00 177.00 173.09 2dlx s TYR 104 N -2.99 0.58 -0.05 0.56 5.04 -1.25 -4.83 117.35 114.41 2dlx s TYR 104 Ca 0.69 -0.13 -0.03 0.00 -2.44 0.00 0.00 57.07 55.17 2dlx s TYR 104 Cb -0.12 -0.60 0.03 0.00 0.35 0.00 0.00 41.96 41.62 2dlx s TYR 104 CO 0.56 -0.19 0.12 0.08 -1.34 0.00 0.00 175.55 174.79 2dlx s VAL 105 N 1.12 -0.04 -0.18 3.14 1.01 -1.13 -2.54 120.40 121.78 2dlx s VAL 105 Ca -0.08 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 2dlx s VAL 105 Cb -0.14 -0.20 0.06 0.00 0.00 0.00 0.00 36.38 36.10 2dlx s VAL 105 CO -0.01 0.06 0.62 -0.94 0.00 0.00 0.00 175.10 174.83 2dlx s SER 106 N 0.91 -0.63 -0.42 3.32 1.04 -1.21 -1.27 113.70 115.44 2dlx s SER 106 Ca -0.07 1.07 -0.16 0.00 0.48 0.00 0.00 55.95 57.27 2dlx s SER 106 Cb -0.09 1.06 0.02 0.00 0.10 0.00 0.00 66.02 67.11 2dlx s SER 106 CO -0.04 -0.32 0.38 -0.63 0.98 0.00 0.00 173.24 173.60 2dlx s ILE 107 N -0.12 5.16 0.12 -1.02 1.01 -1.18 -2.78 121.20 122.39 2dlx s ILE 107 Ca -0.03 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.15 2dlx s ILE 107 Cb -0.03 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2dlx s ILE 107 CO 0.03 -0.38 0.23 -0.22 0.00 0.00 0.00 174.94 174.60 2dlx s LEU 108 N 1.94 4.24 -0.22 2.97 2.96 -1.10 -2.82 118.68 126.64 2dlx s LEU 108 Ca 0.09 0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 54.00 2dlx s LEU 108 Cb -0.18 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 2dlx s LEU 108 CO 0.12 0.10 0.38 -0.62 -1.32 0.00 0.00 176.35 175.00 2dlx s ASP 109 N -2.94 6.36 0.27 3.68 -1.08 -1.20 -3.16 116.67 118.60 2dlx s ASP 109 Ca 0.34 0.42 0.24 0.00 -0.52 0.00 0.00 52.55 53.03 2dlx s ASP 109 Cb -0.12 -2.22 0.99 0.00 -1.46 0.00 0.00 42.92 40.12 2dlx s ASP 109 CO 0.27 -0.10 1.72 -0.81 0.52 0.00 0.00 175.17 176.77 2dlx n PRO 110 N 4.72 0.20 -0.06 4.34 -0.04 -1.26 0.88 135.00 143.78 2dlx n PRO 110 Ca -0.09 0.43 -0.04 0.00 -0.04 0.00 0.00 63.50 63.76 2dlx n PRO 110 Cb 0.51 -1.88 -0.04 0.00 -0.04 0.00 0.00 33.50 32.05 2dlx n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dlx h ARG 111 N 0.00 0.00 0.01 0.54 3.08 -1.92 -3.43 114.38 112.66 2dlx h ARG 111 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.64 2dlx h ARG 111 Cb 0.36 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 2dlx h ARG 111 CO 0.00 0.29 -2.33 0.25 -1.07 0.00 0.00 179.97 177.11 2dlx n THR 112 N -4.72 1.54 -0.46 2.04 -2.24 -1.22 -5.04 114.28 104.18 2dlx n THR 112 Ca -0.04 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2dlx n THR 112 Cb 0.15 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.66 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 1.70 1.28 3.47 3.38 0.00 0.25 -5.02 105.19 110.25 2dlx n GLY 113 Ca -0.47 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.25 2.11 -0.18 1.61 0.74 -1.26 -4.82 119.66 116.62 2dlx s GLN 114 Ca 0.00 -0.96 -0.29 0.00 0.05 0.00 0.00 55.36 54.16 2dlx s GLN 114 Cb 0.00 -2.22 -0.03 0.00 1.10 0.00 0.00 33.01 31.86 2dlx s GLN 114 CO 0.00 0.54 1.50 0.21 -0.55 0.00 0.00 175.29 177.00 2dlx s LYS 115 N -1.48 4.01 -0.19 1.67 2.20 -1.26 -3.20 119.74 121.48 2dlx s LYS 115 Ca 0.15 1.74 -0.10 0.00 -0.36 0.00 0.00 55.97 57.40 2dlx s LYS 115 Cb -0.11 -3.94 -0.20 0.00 -1.51 0.00 0.00 37.83 32.07 2dlx s LYS 115 CO 0.06 -1.02 0.10 1.28 -0.36 0.00 0.00 175.35 175.41 2dlx n LEU 116 N 7.58 2.40 -4.21 5.43 4.77 -1.13 -5.01 117.00 126.84 2dlx n LEU 116 Ca 0.17 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.24 2dlx n LEU 116 Cb 0.45 -1.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.44 2dlx n LEU 116 CO 0.62 0.68 -0.39 0.68 -1.33 0.00 0.00 177.39 177.65 2dlx s VAL 117 N -2.49 0.90 -0.07 4.08 -7.23 -1.25 -5.05 120.40 109.29 2dlx s VAL 117 Ca -0.29 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 57.86 2dlx s VAL 117 Cb 0.08 -1.79 0.04 0.00 0.56 0.00 0.00 36.38 35.27 2dlx s VAL 117 CO 0.65 -0.79 0.12 -1.83 -0.31 0.00 0.00 175.10 172.94 2dlx s GLU 118 N -3.80 -0.00 -0.19 4.82 -1.05 -1.26 -3.12 118.70 114.10 2dlx s GLU 118 Ca 0.15 0.48 0.01 0.00 -0.15 0.00 0.00 54.97 55.46 2dlx s GLU 118 Cb 0.04 -0.34 0.04 0.00 -0.44 0.00 0.00 34.13 33.43 2dlx s GLU 118 CO -0.02 -0.30 -0.11 -1.58 0.95 0.00 0.00 175.26 174.20 2dlx s TRP 119 N 2.15 2.39 -0.00 4.83 0.51 -0.40 -5.02 118.94 123.40 2dlx s TRP 119 Ca 0.03 -1.54 -0.24 0.00 -2.12 0.00 0.00 56.10 52.22 2dlx s TRP 119 Cb -0.12 -1.64 -0.16 0.00 -0.81 0.00 0.00 33.47 30.74 2dlx s TRP 119 CO -0.05 -0.73 1.16 1.25 -0.51 0.00 0.00 176.95 178.07 2dlx h HIS 120 N 7.98 -0.33 -4.10 -1.98 2.76 -1.89 -2.99 115.15 114.60 2dlx h HIS 120 Ca -0.30 -0.01 -0.45 0.00 -2.20 0.00 0.00 60.37 57.41 2dlx h HIS 120 Cb 1.10 0.11 -0.27 0.00 1.55 0.00 0.00 27.41 29.91 2dlx h HIS 120 CO 0.50 0.02 -0.80 -1.14 -1.30 0.00 0.00 177.93 175.22 2dlx s GLN 121 N -4.40 0.99 0.16 5.26 0.74 -1.26 -4.40 119.66 116.74 2dlx s GLN 121 Ca -0.14 -0.62 0.03 0.00 0.05 0.00 0.00 55.36 54.68 2dlx s GLN 121 Cb 0.02 -0.97 -0.05 0.00 1.10 0.00 0.00 33.01 33.11 2dlx s GLN 121 CO 0.53 0.25 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.96 2dlx s LEU 122 N -0.76 2.38 0.23 3.68 1.43 -1.26 -5.01 118.68 119.37 2dlx s LEU 122 Ca 0.03 -1.08 0.01 0.00 -1.03 0.00 0.00 54.13 52.06 2dlx s LEU 122 Cb -0.07 -0.21 -0.05 0.00 0.03 0.00 0.00 46.19 45.89 2dlx s LEU 122 CO 0.00 -0.44 0.09 -1.81 0.23 0.00 0.00 176.35 174.43 2dlx s ASP 123 N -3.17 0.94 0.22 2.29 1.01 -1.26 -4.91 116.67 111.79 2dlx s ASP 123 Ca 0.19 -1.35 -0.08 0.00 0.71 0.00 0.00 52.55 52.01 2dlx s ASP 123 Cb 0.04 0.21 0.27 0.00 1.01 0.00 0.00 42.92 44.45 2dlx s ASP 123 CO 0.02 -0.74 1.81 0.58 0.21 0.00 0.00 175.17 177.05 2dlx h VAL 124 N 2.49 0.95 0.00 -1.27 2.07 -1.93 0.34 116.25 118.90 2dlx h VAL 124 Ca -0.37 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 2dlx h VAL 124 Cb 1.24 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2dlx h VAL 124 CO 0.59 0.13 -0.09 -1.28 0.02 0.00 0.00 177.57 176.94 2dlx h SER 125 N 0.69 0.00 -0.24 0.57 0.87 -2.00 -3.30 113.55 110.15 2dlx h SER 125 Ca 0.32 -0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.83 2dlx h SER 125 Cb 0.23 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.11 2dlx h SER 125 CO -0.20 0.60 -0.32 -1.28 -0.53 0.00 0.00 176.83 175.10 2dlx h SER 126 N -1.00 -1.02 -0.81 6.23 0.87 -1.96 -2.00 113.55 113.86 2dlx h SER 126 Ca -0.01 0.16 0.08 0.00 -1.23 0.00 0.00 61.79 60.80 2dlx h SER 126 Cb 0.19 0.45 -0.11 0.00 -0.44 0.00 0.00 62.40 62.49 2dlx h SER 126 CO -0.00 -0.34 -0.56 0.15 -0.53 0.00 0.00 176.83 175.55 2dlx h PHE 127 N -0.33 -1.76 0.07 2.24 3.57 -0.49 -0.52 116.94 119.72 2dlx h PHE 127 Ca 0.13 0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.76 2dlx h PHE 127 Cb 0.54 0.88 -0.05 0.00 2.79 0.00 0.00 35.95 40.10 2dlx h PHE 127 CO -0.46 -0.41 -0.48 -0.07 -2.23 0.00 0.00 178.31 174.66 2dlx h LEU 128 N -0.12 -1.45 -0.91 0.59 3.38 -1.51 0.27 115.31 115.56 2dlx h LEU 128 Ca 0.15 0.16 0.24 0.00 0.09 0.00 0.00 57.88 58.52 2dlx h LEU 128 Cb 0.48 0.55 -0.16 0.00 0.09 0.00 0.00 40.66 41.62 2dlx h LEU 128 CO -0.83 -0.52 0.04 -0.78 0.09 0.00 0.00 178.44 176.44 2dlx h ASP 129 N -0.68 -0.39 0.49 -0.43 3.58 -0.53 0.35 116.42 118.82 2dlx h ASP 129 Ca 0.02 0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 2dlx h ASP 129 Cb 0.71 0.42 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2dlx h ASP 129 CO -0.30 -0.28 -0.23 1.56 -2.88 0.00 0.00 179.24 177.11 2dlx h GLN 130 N 0.06 -0.63 -0.44 0.28 4.20 -0.20 -2.48 115.11 115.91 2dlx h GLN 130 Ca 0.54 0.04 0.05 0.00 0.06 0.00 0.00 58.65 59.34 2dlx h GLN 130 Cb 1.06 0.14 -0.09 0.00 0.30 0.00 0.00 27.48 28.90 2dlx h GLN 130 CO -0.82 -0.42 -0.54 0.28 -0.67 0.00 0.00 178.83 176.66 2dlx h VAL 131 N -1.08 0.02 -0.73 -0.54 2.07 0.35 0.32 116.25 116.66 2dlx h VAL 131 Ca -0.07 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.60 2dlx h VAL 131 Cb 0.50 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.18 2dlx h VAL 131 CO 0.11 0.00 0.20 0.71 0.02 0.00 0.00 177.57 178.61 2dlx h THR 132 N -0.37 0.56 -0.59 2.57 1.35 -0.45 -0.54 112.91 115.42 2dlx h THR 132 Ca 0.09 -0.10 -0.06 0.00 -0.55 0.00 0.00 66.41 65.79 2dlx h THR 132 Cb 0.59 0.23 -0.02 0.00 -1.73 0.00 0.00 68.15 67.21 2dlx h THR 132 CO -0.61 0.06 0.15 1.23 -0.25 0.00 0.00 175.52 176.09 2dlx h GLY 133 N 0.30 1.02 0.95 5.82 0.00 -0.56 -1.40 103.07 109.20 2dlx h GLY 133 Ca 0.41 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 2dlx h GLY 133 CO -0.48 0.59 -0.30 -2.75 0.00 0.00 0.00 176.54 173.60 2dlx h PHE 134 N 0.86 -0.79 -0.15 5.60 3.04 0.10 0.22 116.94 125.82 2dlx h PHE 134 Ca 0.19 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.15 2dlx h PHE 134 Cb 0.34 0.27 -0.03 0.00 2.56 0.00 0.00 35.95 39.09 2dlx h PHE 134 CO 0.02 -0.48 -0.04 -0.07 -2.02 0.00 0.00 178.31 175.73 2dlx h LEU 135 N -0.81 -0.14 -1.33 0.59 3.38 -1.22 0.23 115.31 116.01 2dlx h LEU 135 Ca -0.07 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2dlx h LEU 135 Cb 0.64 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2dlx h LEU 135 CO 0.11 -0.05 0.36 1.23 0.09 0.00 0.00 178.44 180.18 2dlx h GLY 136 N -0.00 0.87 0.33 0.83 0.00 -1.16 0.68 103.07 104.62 2dlx h GLY 136 Ca 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2dlx h GLY 136 CO -0.15 0.34 -0.16 -2.09 0.00 0.00 0.00 176.54 174.48 2dlx h GLU 137 N 0.83 -0.43 0.00 4.80 4.81 0.08 -3.41 114.58 121.26 2dlx h GLU 137 Ca 0.22 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2dlx h GLU 137 Cb -0.03 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2dlx h GLU 137 CO -0.04 -0.29 -0.00 0.45 -0.73 0.00 0.00 179.01 178.40 2dlx h HIS 138 N -1.03 -0.01 0.00 0.92 3.86 -0.56 -3.51 115.15 114.83 2dlx h HIS 138 Ca -0.05 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2dlx h HIS 138 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2dlx h HIS 138 CO 0.01 -0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2dlx n GLY 139 N 1.89 1.79 3.48 2.45 0.00 0.24 -5.03 105.19 110.01 2dlx n GLY 139 Ca -0.00 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.63 2dlx n GLY 139 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dlx n GLN 140 N 0.63 -0.77 -0.50 1.61 -0.06 -1.26 -4.94 117.38 112.08 2dlx n GLN 140 Ca 0.00 -0.18 -0.25 0.00 -2.00 0.00 0.00 57.00 54.57 2dlx n GLN 140 Cb 0.00 -2.03 0.19 0.00 -4.06 0.00 0.00 30.24 24.34 2dlx n GLN 140 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2dlx n LEU 141 N -2.68 -1.49 -0.06 1.69 4.32 -1.26 -4.99 117.00 112.53 2dlx n LEU 141 Ca 0.07 -0.40 -0.03 0.00 -0.02 0.00 0.00 56.01 55.63 2dlx n LEU 141 Cb 0.54 -0.90 -0.01 0.00 -1.62 0.00 0.00 43.42 41.43 2dlx n LEU 141 CO 0.51 -3.48 -0.24 0.44 -1.22 0.00 0.00 177.39 173.40 2dlx h ASP 142 N -2.71 0.00 -3.11 -1.43 3.32 -1.94 -3.45 116.42 107.11 2dlx h ASP 142 Ca -0.39 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.09 2dlx h ASP 142 Cb 1.10 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 2dlx h ASP 142 CO 0.27 0.62 1.03 -0.83 -1.72 0.00 0.00 179.24 178.61 2dlx s GLY 143 N -3.91 1.27 -0.10 2.75 0.00 -1.26 -4.99 107.32 101.07 2dlx s GLY 143 Ca -0.10 0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.72 2dlx s GLY 143 CO 0.15 2.72 -0.10 0.48 0.00 0.00 0.00 173.10 176.35 2dlx s LEU 144 N 4.83 1.44 -0.17 0.66 2.34 -1.26 -4.59 118.68 121.92 2dlx s LEU 144 Ca 0.61 -0.33 -0.22 0.00 0.06 0.00 0.00 54.13 54.25 2dlx s LEU 144 Cb -0.17 -0.89 0.06 0.00 -0.56 0.00 0.00 46.19 44.63 2dlx s LEU 144 CO 0.27 -0.05 0.58 -0.55 -1.06 0.00 0.00 176.35 175.54 2dlx s SER 145 N 1.26 -0.58 -0.21 1.48 0.15 -1.26 -5.12 113.70 109.41 2dlx s SER 145 Ca -0.03 1.01 -0.01 0.00 0.70 0.00 0.00 55.95 57.63 2dlx s SER 145 Cb -0.14 1.01 0.02 0.00 -1.71 0.00 0.00 66.02 65.20 2dlx s SER 145 CO -0.04 -0.29 -0.12 -0.44 1.20 0.00 0.00 173.24 173.55 2dlx s SER 146 N -0.08 3.83 -0.18 5.45 0.01 -1.26 -4.74 113.70 116.73 2dlx s SER 146 Ca -0.03 -0.72 0.04 0.00 1.31 0.00 0.00 55.95 56.56 2dlx s SER 146 Cb -0.04 -1.60 -0.14 0.00 0.21 0.00 0.00 66.02 64.46 2dlx s SER 146 CO 0.03 -0.06 -0.12 -0.24 0.41 0.00 0.00 173.24 173.27 2dlx n SER 147 N 4.66 2.29 -3.87 2.44 2.88 -1.26 -5.02 113.62 115.74 2dlx n SER 147 Ca -0.19 -0.08 -0.29 0.00 -1.33 0.00 0.00 58.87 56.98 2dlx n SER 147 Cb 0.49 -0.03 0.28 0.00 -0.75 0.00 0.00 64.21 64.20 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 -5.57 -0.49 0.70 -3.46 0.01 -1.26 -4.99 113.70 98.64 2dlx s SER 148 Ca -0.21 1.17 -0.11 0.00 1.31 0.00 0.00 55.95 58.11 2dlx s SER 148 Cb 0.06 -1.75 0.01 0.00 0.21 0.00 0.00 66.02 64.55 2dlx s SER 148 CO 0.47 -5.05 1.07 -0.83 0.41 0.00 0.00 173.24 169.30 2dlx s GLY 149 N -2.75 1.65 -0.45 3.44 0.00 -1.26 -4.96 107.32 102.99 2dlx s GLY 149 Ca 0.69 -0.14 -0.28 0.00 0.00 0.00 0.00 44.72 44.98 2dlx s GLY 149 CO 0.62 0.19 1.76 2.56 0.00 0.00 0.00 173.10 178.23 2dlx s PRO 150 N -5.19 3.12 0.03 2.90 0.04 -1.26 -4.97 135.00 129.67 2dlx s PRO 150 Ca 0.58 1.05 -0.00 0.00 0.04 0.00 0.00 61.00 62.66 2dlx s PRO 150 Cb -0.12 -4.24 -0.03 0.00 0.04 0.00 0.00 34.50 30.15 2dlx s PRO 150 CO 0.54 -2.12 -0.03 -1.12 0.04 0.00 0.00 177.00 174.30 2dlx s SER 151 N 6.45 0.37 -0.16 6.66 0.01 -1.26 -5.08 113.70 120.70 2dlx s SER 151 Ca 0.72 -0.73 -0.23 0.00 1.31 0.00 0.00 55.95 57.02 2dlx s SER 151 Cb -0.17 0.14 -0.20 0.00 0.21 0.00 0.00 66.02 66.00 2dlx s SER 151 CO 0.29 -0.44 0.49 -1.28 0.41 0.00 0.00 173.24 172.71 2dlx h SER 152 N 3.96 0.00 0.00 2.44 0.87 -2.00 -3.55 113.55 115.26 2dlx h SER 152 Ca -0.33 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.52 2dlx h SER 152 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2dlx h SER 152 CO 0.52 1.09 0.00 0.61 -0.53 0.00 0.00 176.83 178.53