#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 2.27 0.22 1.61 0.15 -1.26 -5.14 113.70 111.54 2dlx s SER 2 Ca 0.00 -0.45 -0.14 0.00 0.70 0.00 0.00 55.95 56.06 2dlx s SER 2 Cb 0.00 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 2dlx s SER 2 CO 0.00 0.16 0.46 -0.94 1.20 0.00 0.00 173.24 174.12 2dlx s SER 3 N -0.94 -0.12 0.00 5.45 1.04 -1.26 -5.12 113.70 112.75 2dlx s SER 3 Ca 0.07 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2dlx s SER 3 Cb -0.08 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2dlx s SER 3 CO 0.01 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2dlx n GLY 4 N -0.34 1.98 0.10 7.32 0.00 -1.26 -5.08 105.19 107.90 2dlx n GLY 4 Ca -0.05 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 2dlx n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dlx n SER 5 N 0.00 1.87 -3.59 1.61 3.41 -1.26 -5.07 113.62 110.59 2dlx n SER 5 Ca 0.00 0.47 -0.10 0.00 -0.26 0.00 0.00 58.87 58.97 2dlx n SER 5 Cb 0.00 -0.87 -0.03 0.00 -0.26 0.00 0.00 64.21 63.06 2dlx n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dlx s SER 6 N -6.41 -0.41 0.00 4.04 0.15 -1.26 -5.12 113.70 104.69 2dlx s SER 6 Ca -0.26 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2dlx s SER 6 Cb 0.06 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2dlx s SER 6 CO 0.42 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2dlx n GLY 7 N -0.37 -2.06 3.09 9.45 0.00 -1.26 -5.15 105.19 108.88 2dlx n GLY 7 Ca -0.13 1.01 -0.28 0.00 0.00 0.00 0.00 46.02 46.61 2dlx n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dlx s ILE 8 N 0.00 1.55 -0.20 -0.61 -4.36 -1.26 -5.11 121.20 111.21 2dlx s ILE 8 Ca 0.00 -0.69 -0.04 0.00 -0.26 0.00 0.00 60.65 59.66 2dlx s ILE 8 Cb 0.00 -1.39 0.10 0.00 1.25 0.00 0.00 42.46 42.42 2dlx s ILE 8 CO 0.00 0.45 0.28 -1.81 0.24 0.00 0.00 174.94 174.10 2dlx s ASP 9 N 0.77 0.78 -0.13 4.36 1.01 -1.26 -5.13 116.67 117.08 2dlx s ASP 9 Ca -0.11 0.13 -0.04 0.00 0.71 0.00 0.00 52.55 53.24 2dlx s ASP 9 Cb -0.16 0.68 0.06 0.00 1.01 0.00 0.00 42.92 44.51 2dlx s ASP 9 CO 0.02 -0.30 0.15 -0.54 0.21 0.00 0.00 175.17 174.71 2dlx s LYS 10 N 2.42 0.07 -0.10 8.23 -0.14 -1.26 -5.14 119.74 123.81 2dlx s LYS 10 Ca 0.07 0.29 -0.18 0.00 -1.36 0.00 0.00 55.97 54.79 2dlx s LYS 10 Cb -0.15 -0.92 0.04 0.00 -1.68 0.00 0.00 37.83 35.12 2dlx s LYS 10 CO -0.12 -0.49 0.46 0.15 -0.76 0.00 0.00 175.35 174.58 2dlx s LYS 11 N 2.25 0.68 -0.41 1.68 1.02 -1.26 -5.13 119.74 118.56 2dlx s LYS 11 Ca 0.04 0.31 -0.16 0.00 0.02 0.00 0.00 55.97 56.18 2dlx s LYS 11 Cb -0.14 0.32 0.02 0.00 -0.52 0.00 0.00 37.83 37.51 2dlx s LYS 11 CO -0.08 -0.15 0.37 -0.51 -0.92 0.00 0.00 175.35 174.06 2dlx s LEU 12 N -0.50 4.96 0.10 3.17 1.43 -1.26 -5.03 118.68 121.55 2dlx s LEU 12 Ca -0.06 -0.76 -0.25 0.00 -1.03 0.00 0.00 54.13 52.03 2dlx s LEU 12 Cb -0.03 -2.28 0.07 0.00 0.03 0.00 0.00 46.19 43.98 2dlx s LEU 12 CO 0.03 -0.51 0.64 -0.89 0.23 0.00 0.00 176.35 175.85 2dlx s THR 13 N 1.91 0.00 0.19 5.49 2.01 -1.26 -5.06 115.64 118.92 2dlx s THR 13 Ca 0.09 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.84 2dlx s THR 13 Cb -0.18 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.41 2dlx s THR 13 CO 0.12 0.00 1.56 0.71 -0.69 0.00 0.00 174.62 176.31 2dlx h THR 14 N 2.21 0.04 -5.72 -0.82 1.35 -2.10 -3.45 112.91 104.42 2dlx h THR 14 Ca -0.32 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.19 2dlx h THR 14 Cb 1.27 0.04 0.16 0.00 -1.73 0.00 0.00 68.15 67.89 2dlx h THR 14 CO 0.38 0.00 -0.74 0.18 -0.25 0.00 0.00 175.52 175.08 2dlx n LEU 15 N -5.39 -3.83 -4.63 3.87 4.32 -1.26 -4.88 117.00 105.20 2dlx n LEU 15 Ca 0.04 -0.60 -0.49 0.00 -0.02 0.00 0.00 56.01 54.95 2dlx n LEU 15 Cb 0.35 -3.09 -0.05 0.00 -1.62 0.00 0.00 43.42 39.00 2dlx n LEU 15 CO -0.08 0.46 1.05 0.00 -1.22 0.00 0.00 177.39 177.60 2dlx n ALA 16 N -4.40 0.28 -1.81 -1.18 0.00 -1.26 -4.82 120.51 107.31 2dlx n ALA 16 Ca -0.20 0.48 -0.40 0.00 0.00 0.00 0.00 53.44 53.32 2dlx n ALA 16 Cb 0.64 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 2dlx n ALA 16 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2dlx s ASP 17 N 0.70 5.25 0.05 0.00 1.47 -1.26 -4.91 116.67 117.96 2dlx s ASP 17 Ca 0.81 1.11 -0.32 0.00 1.18 0.00 0.00 52.55 55.32 2dlx s ASP 17 Cb -0.81 -2.52 -0.11 0.00 -0.34 0.00 0.00 42.92 39.14 2dlx s ASP 17 CO 0.42 -2.25 1.83 0.18 0.68 0.00 0.00 175.17 176.03 2dlx n LEU 18 N 12.74 3.71 -0.36 2.11 7.99 -1.26 -4.88 117.00 137.05 2dlx n LEU 18 Ca 0.27 0.98 -0.09 0.00 -0.01 0.00 0.00 56.01 57.16 2dlx n LEU 18 Cb 0.50 -1.46 -0.09 0.00 -0.11 0.00 0.00 43.42 42.26 2dlx n LEU 18 CO 0.69 0.03 0.48 -0.26 -1.51 0.00 0.00 177.39 176.82 2dlx h PHE 19 N 8.66 -1.63 -3.51 -1.77 -1.00 -2.04 -3.40 116.94 112.24 2dlx h PHE 19 Ca -0.47 0.11 -0.27 0.00 2.81 0.00 0.00 57.97 60.15 2dlx h PHE 19 Cb 1.25 0.83 -0.32 0.00 3.61 0.00 0.00 35.95 41.31 2dlx h PHE 19 CO 0.82 -0.32 -0.70 -0.98 -1.61 0.00 0.00 178.31 175.52 2dlx s ARG 20 N -5.15 -0.00 0.17 1.51 1.70 -1.26 -5.14 118.95 110.78 2dlx s ARG 20 Ca -0.10 0.18 -0.30 0.00 -0.47 0.00 0.00 55.73 55.04 2dlx s ARG 20 Cb 0.09 -0.17 -0.08 0.00 -0.57 0.00 0.00 34.95 34.22 2dlx s ARG 20 CO 0.53 -0.13 1.32 -1.25 -1.08 0.00 0.00 175.30 174.69 2dlx s PRO 21 N 0.84 4.38 0.00 3.89 0.04 -1.26 -4.89 135.00 137.99 2dlx s PRO 21 Ca -0.07 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.09 2dlx s PRO 21 Cb -0.10 -3.22 0.46 0.00 0.04 0.00 0.00 34.50 31.69 2dlx s PRO 21 CO -0.03 -0.29 0.91 -0.35 0.04 0.00 0.00 177.00 177.28 2dlx n PRO 22 N 3.01 0.49 -0.43 0.56 -0.04 -1.26 -4.04 135.00 133.29 2dlx n PRO 22 Ca 0.07 0.00 0.35 0.00 -0.04 0.00 0.00 63.50 63.88 2dlx n PRO 22 Cb 0.43 -1.24 0.57 0.00 -0.04 0.00 0.00 33.50 33.21 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 -0.74 -0.15 -3.79 0.52 -5.35 -1.26 -4.70 119.36 103.88 2dlx n ILE 23 Ca 0.06 1.37 -0.29 0.00 -0.27 0.00 0.00 62.75 63.61 2dlx n ILE 23 Cb 0.03 -2.25 0.01 0.00 -1.74 0.00 0.00 39.64 35.69 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 -4.08 -4.43 -2.83 7.28 2.03 -1.26 -0.18 116.55 113.08 2dlx n ASP 24 Ca 0.33 -0.70 -0.22 0.00 0.52 0.00 0.00 54.79 54.72 2dlx n ASP 24 Cb 1.34 -3.57 0.03 0.00 -0.72 0.00 0.00 41.12 38.20 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 -4.39 -2.54 -4.79 -2.67 7.99 -1.26 -4.96 117.00 104.38 2dlx n LEU 25 Ca 0.03 -0.23 -0.35 0.00 -0.01 0.00 0.00 56.01 55.45 2dlx n LEU 25 Cb 0.53 -2.93 -0.04 0.00 -0.11 0.00 0.00 43.42 40.87 2dlx n LEU 25 CO 0.70 0.15 0.72 -0.04 -1.51 0.00 0.00 177.39 177.41 2dlx s MET 26 N -5.55 3.96 -0.02 3.23 -1.94 0.75 -4.69 119.30 115.04 2dlx s MET 26 Ca 0.24 1.41 0.02 0.00 -1.71 0.00 0.00 55.69 55.65 2dlx s MET 26 Cb -0.11 -2.27 -0.03 0.00 2.01 0.00 0.00 34.83 34.44 2dlx s MET 26 CO 0.30 -0.30 0.01 1.58 -0.01 0.00 0.00 175.02 176.60 2dlx n HIS 27 N -0.61 0.00 -2.87 -0.03 -0.00 -1.26 -4.91 115.22 105.54 2dlx n HIS 27 Ca 0.08 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.13 2dlx n HIS 27 Cb 0.51 -0.09 -0.01 0.00 -0.12 0.00 0.00 29.99 30.28 2dlx n HIS 27 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2dlx n LYS 28 N -1.99 -2.65 -4.17 1.57 2.85 -1.26 -4.90 118.16 107.60 2dlx n LYS 28 Ca -0.03 0.29 -0.33 0.00 -1.05 0.00 0.00 58.31 57.19 2dlx n LYS 28 Cb 0.48 -4.87 -0.16 0.00 -0.65 0.00 0.00 35.03 29.83 2dlx n LYS 28 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2dlx s GLY 29 N -2.29 1.36 1.10 2.58 0.00 -1.26 -5.06 107.32 103.75 2dlx s GLY 29 Ca 0.17 -1.18 -0.18 0.00 0.00 0.00 0.00 44.72 43.53 2dlx s GLY 29 CO 0.21 0.27 0.86 -1.14 0.00 0.00 0.00 173.10 173.29 2dlx n SER 30 N 4.58 -2.54 0.25 1.64 3.41 -1.26 -4.48 113.62 115.22 2dlx n SER 30 Ca -0.21 -0.96 -0.13 0.00 -0.26 0.00 0.00 58.87 57.32 2dlx n SER 30 Cb 0.50 -0.84 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 2dlx n SER 30 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2dlx h PHE 31 N -2.81 -0.90 0.18 7.33 3.57 -1.99 0.49 116.94 122.81 2dlx h PHE 31 Ca -0.34 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.17 2dlx h PHE 31 Cb 1.07 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 40.11 2dlx h PHE 31 CO 0.00 -0.47 -0.31 1.05 -2.23 0.00 0.00 178.31 176.35 2dlx h GLU 32 N -0.75 -0.55 -0.73 1.11 4.11 -2.02 -2.43 114.58 113.33 2dlx h GLU 32 Ca -0.06 0.04 0.12 0.00 0.07 0.00 0.00 59.36 59.53 2dlx h GLU 32 Cb 0.62 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 2dlx h GLU 32 CO 0.02 -0.37 0.32 1.15 0.07 0.00 0.00 179.01 180.20 2dlx h THR 33 N -0.57 0.74 -0.21 -1.06 2.02 -1.90 -2.82 112.91 109.11 2dlx h THR 33 Ca 0.02 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.04 2dlx h THR 33 Cb 0.57 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 2dlx h THR 33 CO -0.14 0.09 -0.17 0.00 0.37 0.00 0.00 175.52 175.67 2dlx h ALA 34 N 1.50 -0.31 -0.94 6.16 0.00 0.50 0.29 119.26 126.45 2dlx h ALA 34 Ca 0.38 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.53 2dlx h ALA 34 Cb 0.52 0.97 -0.12 0.00 0.00 0.00 0.00 17.79 19.16 2dlx h ALA 34 CO -0.35 -0.41 0.50 0.87 0.00 0.00 0.00 179.25 179.86 2dlx h LYS 35 N -0.06 0.50 -0.44 0.00 1.57 -1.43 0.81 116.57 117.52 2dlx h LYS 35 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2dlx h LYS 35 Cb 0.15 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2dlx h LYS 35 CO -0.23 0.33 0.29 0.93 -0.57 0.00 0.00 179.45 180.20 2dlx h GLU 36 N 0.52 0.59 0.44 3.15 4.39 -0.60 -3.14 114.58 119.93 2dlx h GLU 36 Ca 0.59 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.23 2dlx h GLU 36 Cb 1.09 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2dlx h GLU 36 CO -0.48 0.41 -0.31 0.00 -1.16 0.00 0.00 179.01 177.46 2dlx n GLY 38 N -1.38 -0.62 0.28 0.00 0.00 -0.88 0.23 105.19 102.82 2dlx n GLY 38 Ca -0.09 0.60 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.65 0.12 1.61 4.20 -1.40 0.59 115.11 119.58 2dlx h GLN 39 Ca 0.67 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.42 2dlx h GLN 39 Cb 2.00 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.93 2dlx h GLN 39 CO -0.45 -0.44 -0.06 0.52 -0.67 0.00 0.00 178.83 177.74 2dlx h MET 40 N -0.88 -0.15 0.00 1.46 2.86 -0.37 -2.34 114.93 115.49 2dlx h MET 40 Ca -0.07 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2dlx h MET 40 Cb 0.52 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 2dlx h MET 40 CO 0.11 -0.07 -0.15 1.96 1.06 0.00 0.00 176.91 179.83 2dlx h GLN 41 N -0.20 0.00 -4.63 1.72 4.20 -0.32 -3.47 115.11 112.41 2dlx h GLN 41 Ca -0.02 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.44 2dlx h GLN 41 Cb 0.15 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.05 2dlx h GLN 41 CO 0.03 0.15 -0.55 0.09 -0.67 0.00 0.00 178.83 177.88 2dlx n ASN 42 N -3.73 -2.83 -4.08 1.46 4.13 0.20 -5.01 115.26 105.40 2dlx n ASN 42 Ca -0.02 -0.44 -0.13 0.00 1.68 0.00 0.00 54.58 55.67 2dlx n ASN 42 Cb 0.26 -3.86 -0.11 0.00 -1.54 0.00 0.00 39.78 34.52 2dlx n ASN 42 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2dlx s LYS 43 N -5.23 0.57 1.18 3.52 1.02 -0.50 -4.69 119.74 115.60 2dlx s LYS 43 Ca 0.11 -0.83 -0.13 0.00 0.02 0.00 0.00 55.97 55.14 2dlx s LYS 43 Cb -0.05 -0.31 0.29 0.00 -0.52 0.00 0.00 37.83 37.24 2dlx s LYS 43 CO 0.53 0.05 1.02 -1.58 -0.92 0.00 0.00 175.35 174.46 2dlx s TRP 44 N -1.59 1.32 -0.15 3.18 0.52 0.15 -4.44 118.94 117.91 2dlx s TRP 44 Ca -0.07 1.09 0.01 0.00 0.02 0.00 0.00 56.10 57.14 2dlx s TRP 44 Cb -0.09 -3.10 0.02 0.00 -1.15 0.00 0.00 33.47 29.15 2dlx s TRP 44 CO 0.00 -3.90 -0.16 -1.17 0.02 0.00 0.00 176.95 171.74 2dlx s LEU 45 N -7.21 1.82 -0.40 2.99 2.96 -1.12 -1.17 118.68 116.56 2dlx s LEU 45 Ca 0.68 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.93 2dlx s LEU 45 Cb -0.24 -1.26 0.03 0.00 0.50 0.00 0.00 46.19 45.21 2dlx s LEU 45 CO 0.64 -0.03 0.27 -0.32 -1.32 0.00 0.00 176.35 175.59 2dlx s MET 46 N 1.37 2.90 -0.09 1.98 -2.45 -0.99 -1.41 119.30 120.61 2dlx s MET 46 Ca 0.04 -1.07 -0.17 0.00 -1.25 0.00 0.00 55.69 53.23 2dlx s MET 46 Cb -0.13 -3.89 -0.05 0.00 1.25 0.00 0.00 34.83 32.01 2dlx s MET 46 CO -0.10 -0.75 0.46 0.42 1.05 0.00 0.00 175.02 176.09 2dlx s ILE 47 N 1.63 5.15 -0.03 10.11 -1.09 -1.02 -2.99 121.20 132.96 2dlx s ILE 47 Ca 0.04 0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 59.37 2dlx s ILE 47 Cb -0.19 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 36.93 2dlx s ILE 47 CO 0.08 0.38 0.03 0.20 -1.23 0.00 0.00 174.94 174.41 2dlx s ASN 48 N 0.25 0.58 -0.52 3.58 -0.87 -0.76 -3.74 114.94 113.46 2dlx s ASN 48 Ca 0.25 0.02 -0.19 0.00 -1.57 0.00 0.00 52.86 51.37 2dlx s ASN 48 Cb -0.15 -0.16 0.07 0.00 -0.02 0.00 0.00 41.25 40.99 2dlx s ASN 48 CO 0.11 -0.16 0.62 -0.63 -2.57 0.00 0.00 177.10 174.47 2dlx s ILE 49 N 1.42 4.90 -0.22 0.60 -1.09 -1.26 -2.60 121.20 122.95 2dlx s ILE 49 Ca -0.04 -0.65 -0.31 0.00 -2.23 0.00 0.00 60.65 57.41 2dlx s ILE 49 Cb -0.13 -4.32 -0.08 0.00 -1.58 0.00 0.00 42.46 36.35 2dlx s ILE 49 CO -0.03 -0.85 2.14 1.67 -1.23 0.00 0.00 174.94 176.65 2dlx n GLN 50 N 6.11 1.77 -2.51 2.79 0.00 -0.84 -4.87 117.38 119.83 2dlx n GLN 50 Ca -0.08 0.53 -0.42 0.00 -0.00 0.00 0.00 57.00 57.03 2dlx n GLN 50 Cb 0.45 -2.89 -0.03 0.00 0.00 0.00 0.00 30.24 27.77 2dlx n GLN 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2dlx s ASN 51 N 7.10 7.17 -0.16 1.69 4.22 -1.26 -3.65 114.94 130.06 2dlx s ASN 51 Ca 1.02 1.90 0.10 0.00 -2.14 0.00 0.00 52.86 53.73 2dlx s ASN 51 Cb -0.56 -2.58 -0.23 0.00 1.28 0.00 0.00 41.25 39.16 2dlx s ASN 51 CO 0.43 -0.41 0.22 1.33 -2.04 0.00 0.00 177.10 176.63 2dlx n VAL 52 N 3.94 1.53 -0.13 3.54 0.24 -1.26 -4.64 118.33 121.54 2dlx n VAL 52 Ca 0.08 -0.76 -0.28 0.00 -2.04 0.00 0.00 64.34 61.34 2dlx n VAL 52 Cb 0.48 -0.98 -0.10 0.00 -1.47 0.00 0.00 33.84 31.76 2dlx n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dlx n GLN 53 N -3.03 0.59 -1.64 7.34 10.64 -1.26 -4.98 117.38 125.03 2dlx n GLN 53 Ca -0.31 0.31 -0.32 0.00 -1.83 0.00 0.00 57.00 54.85 2dlx n GLN 53 Cb 1.08 -1.53 0.06 0.00 -0.86 0.00 0.00 30.24 28.98 2dlx n GLN 53 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2dlx s ASP 54 N -7.39 4.99 -0.02 2.61 2.15 -1.26 -4.99 116.67 112.76 2dlx s ASP 54 Ca -0.37 1.94 0.01 0.00 0.43 0.00 0.00 52.55 54.56 2dlx s ASP 54 Cb 0.13 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.19 2dlx s ASP 54 CO 0.51 -1.71 -0.01 0.49 -0.17 0.00 0.00 175.17 174.28 2dlx n PHE 55 N -2.69 0.00 -0.32 -5.34 3.72 -1.26 -4.72 117.46 106.85 2dlx n PHE 55 Ca 0.10 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.60 2dlx n PHE 55 Cb 0.52 -0.10 0.22 0.00 -0.94 0.00 0.00 39.48 39.18 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dlx n ALA 56 N -2.32 0.37 0.07 4.37 0.00 -1.26 -0.53 120.51 121.21 2dlx n ALA 56 Ca -0.04 0.98 -0.04 0.00 0.00 0.00 0.00 53.44 54.34 2dlx n ALA 56 Cb 0.56 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.22 0.03 -0.76 0.00 -0.00 -1.45 0.18 115.11 112.89 2dlx h GLN 58 Ca -0.02 -0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.73 2dlx h GLN 58 Cb 0.18 -0.01 -0.07 0.00 -0.00 0.00 0.00 27.48 27.58 2dlx h GLN 58 CO -0.00 0.02 0.41 0.00 -0.00 0.00 0.00 178.83 179.26 2dlx h LEU 60 N 0.68 -0.66 -1.83 0.00 4.07 -0.50 -1.24 115.31 115.83 2dlx h LEU 60 Ca 0.37 0.08 0.48 0.00 0.08 0.00 0.00 57.88 58.90 2dlx h LEU 60 Cb 0.38 0.26 -0.09 0.00 1.08 0.00 0.00 40.66 42.29 2dlx h LEU 60 CO -0.26 -0.31 1.13 -1.13 -1.08 0.00 0.00 178.44 176.79 2dlx h ASN 61 N -0.41 0.07 -0.63 -0.43 -0.73 -1.51 0.72 115.58 112.66 2dlx h ASN 61 Ca 0.04 0.04 0.06 0.00 1.87 0.00 0.00 56.30 58.31 2dlx h ASN 61 Cb 0.45 0.03 -0.09 0.00 0.27 0.00 0.00 38.32 38.99 2dlx h ASN 61 CO -0.15 -0.05 -0.47 -0.09 -0.37 0.00 0.00 177.43 176.29 2dlx h ARG 62 N 0.03 -0.12 0.00 6.67 2.43 -1.20 -2.88 114.38 119.31 2dlx h ARG 62 Ca 0.82 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.96 2dlx h ARG 62 Cb 3.09 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 32.66 2dlx h ARG 62 CO -0.12 -0.08 -1.15 -0.25 -1.51 0.00 0.00 179.97 176.86 2dlx n ASP 63 N -4.87 4.10 0.03 -3.80 8.00 -0.44 -4.39 116.55 115.20 2dlx n ASP 63 Ca -0.00 -0.01 -0.02 0.00 0.71 0.00 0.00 54.79 55.47 2dlx n ASP 63 Cb 0.24 0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 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 -0.10 2.53 2.07 0.25 0.37 116.25 121.37 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 -2.66 0.29 -0.04 1.57 5.03 -1.20 -3.42 117.44 117.01 2dlx n TRP 65 Ca -0.01 -0.11 -0.05 0.00 3.03 0.00 0.00 57.50 60.36 2dlx n TRP 65 Cb 0.05 -0.12 -0.05 0.00 -1.03 0.00 0.00 31.31 30.16 2dlx n TRP 65 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 2dlx n SER 66 N 0.04 3.23 -4.51 -0.99 7.64 -0.89 -4.86 113.62 113.28 2dlx n SER 66 Ca 0.04 -0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 2dlx n SER 66 Cb 0.33 0.29 -0.07 0.00 -1.01 0.00 0.00 64.21 63.74 2dlx n SER 66 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2dlx n ASN 67 N -2.51 1.76 -0.28 6.43 2.85 0.13 -4.80 115.26 118.84 2dlx n ASN 67 Ca -0.14 -0.02 -0.05 0.00 -0.11 0.00 0.00 54.58 54.26 2dlx n ASN 67 Cb 0.71 -1.31 -0.03 0.00 1.24 0.00 0.00 39.78 40.39 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 -0.24 -0.33 1.20 2.13 -1.26 0.15 120.64 130.90 2dlx n GLU 68 Ca 0.46 1.04 0.10 0.00 0.66 0.00 0.00 57.16 59.42 2dlx n GLU 68 Cb 0.31 -1.54 0.21 0.00 0.27 0.00 0.00 31.44 30.69 2dlx n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dlx h ALA 69 N 0.59 0.92 -0.39 4.31 0.00 -1.98 0.76 119.26 123.48 2dlx h ALA 69 Ca 0.16 0.34 -0.12 0.00 0.00 0.00 0.00 54.91 55.30 2dlx h ALA 69 Cb 0.33 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2dlx h ALA 69 CO -0.66 -0.48 -0.23 0.28 0.00 0.00 0.00 179.25 178.16 2dlx h VAL 70 N 0.02 1.27 -0.19 0.00 2.07 0.10 -3.18 116.25 116.34 2dlx h VAL 70 Ca 0.52 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.76 2dlx h VAL 70 Cb 0.97 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 2dlx h VAL 70 CO -0.91 0.45 -0.26 0.11 0.02 0.00 0.00 177.57 176.98 2dlx h LYS 71 N 0.67 -0.29 -0.07 1.57 1.79 0.16 0.28 116.57 120.69 2dlx h LYS 71 Ca 0.09 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.60 2dlx h LYS 71 Cb 0.74 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2dlx h LYS 71 CO 0.06 -0.19 0.18 -0.91 -1.08 0.00 0.00 179.45 177.51 2dlx h ASN 72 N -0.30 0.00 0.04 0.86 2.35 -1.37 -0.66 115.58 116.50 2dlx h ASN 72 Ca 0.12 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 2dlx h ASN 72 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2dlx h ASN 72 CO -0.36 0.00 -0.80 0.40 -1.65 0.00 0.00 177.43 175.02 2dlx h ILE 73 N 0.00 1.32 0.00 2.81 2.04 -0.61 -2.14 117.51 120.92 2dlx h ILE 73 Ca 0.03 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.56 2dlx h ILE 73 Cb 0.39 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 2dlx h ILE 73 CO -0.00 0.56 0.00 -0.38 0.00 0.00 0.00 178.15 178.33 2dlx n ILE 74 N -4.34 0.73 -0.10 -0.67 5.41 0.44 -0.49 119.36 120.35 2dlx n ILE 74 Ca -0.21 0.18 -0.13 0.00 1.00 0.00 0.00 62.75 63.60 2dlx n ILE 74 Cb 0.68 -0.94 -0.10 0.00 -0.71 0.00 0.00 39.64 38.57 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 -1.36 0.69 -0.04 0.38 1.85 -0.33 -3.05 116.66 114.80 2dlx n ARG 75 Ca 0.06 0.09 -0.04 0.00 -1.00 0.00 0.00 57.85 56.97 2dlx n ARG 75 Cb 0.13 -1.41 -0.01 0.00 -1.05 0.00 0.00 32.46 30.12 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 -2.99 0.27 -0.30 2.89 2.13 -0.81 -4.56 120.64 117.27 2dlx n GLU 76 Ca -0.34 0.29 -0.04 0.00 0.66 0.00 0.00 57.16 57.73 2dlx n GLU 76 Cb 0.91 -1.17 0.07 0.00 0.27 0.00 0.00 31.44 31.52 2dlx n GLU 76 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dlx h HIS 77 N -0.56 1.05 -2.36 4.31 3.86 -0.95 -3.42 115.15 117.08 2dlx h HIS 77 Ca 0.00 0.01 -0.54 0.00 -1.16 0.00 0.00 60.37 58.68 2dlx h HIS 77 Cb 0.39 -0.35 -0.13 0.00 1.06 0.00 0.00 27.41 28.38 2dlx h HIS 77 CO -0.17 0.69 -0.57 -0.06 0.86 0.00 0.00 177.93 178.69 2dlx s PHE 78 N -6.02 1.94 -0.08 2.45 0.40 0.00 0.29 117.98 116.96 2dlx s PHE 78 Ca -0.13 -1.04 0.03 0.00 -0.60 0.00 0.00 56.93 55.19 2dlx s PHE 78 Cb 0.16 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.34 2dlx s PHE 78 CO 0.80 -0.03 -0.15 0.42 0.70 0.00 0.00 175.22 176.96 2dlx s ILE 79 N -3.17 2.92 -0.29 0.64 -1.09 -0.32 -2.72 121.20 117.18 2dlx s ILE 79 Ca 0.28 -0.75 -0.29 0.00 -2.23 0.00 0.00 60.65 57.67 2dlx s ILE 79 Cb 0.06 -2.16 -0.01 0.00 -1.58 0.00 0.00 42.46 38.76 2dlx s ILE 79 CO 0.14 0.56 1.54 0.12 -1.23 0.00 0.00 174.94 176.07 2dlx s PHE 80 N -0.25 2.23 -0.26 3.97 5.36 -1.18 -2.35 117.98 125.50 2dlx s PHE 80 Ca 0.01 0.65 -0.02 0.00 -0.96 0.00 0.00 56.93 56.60 2dlx s PHE 80 Cb -0.13 -4.05 0.09 0.00 -0.34 0.00 0.00 43.02 38.58 2dlx s PHE 80 CO 0.03 -2.51 0.09 -0.46 -1.46 0.00 0.00 175.22 170.90 2dlx s TRP 81 N 5.34 1.09 -0.11 10.12 -0.00 -1.16 -4.30 118.94 129.91 2dlx s TRP 81 Ca 0.68 -1.19 0.03 0.00 -0.00 0.00 0.00 56.10 55.62 2dlx s TRP 81 Cb -0.21 -1.25 0.01 0.00 -0.00 0.00 0.00 33.47 32.02 2dlx s TRP 81 CO 0.29 -0.77 -0.21 -1.14 -0.00 0.00 0.00 176.95 175.13 2dlx s GLN 82 N 1.83 2.77 -0.01 5.86 0.74 -1.26 -1.83 119.66 127.76 2dlx s GLN 82 Ca 0.06 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.69 2dlx s GLN 82 Cb -0.17 -2.19 0.02 0.00 1.10 0.00 0.00 33.01 31.78 2dlx s GLN 82 CO -0.22 0.07 0.01 0.14 -0.55 0.00 0.00 175.29 174.74 2dlx s VAL 83 N 0.62 0.00 -0.03 1.34 -7.23 -1.07 -4.97 120.40 109.08 2dlx s VAL 83 Ca -0.13 0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.86 2dlx s VAL 83 Cb -0.17 -0.09 -0.05 0.00 0.56 0.00 0.00 36.38 36.64 2dlx s VAL 83 CO 0.03 0.07 1.34 -0.31 -0.31 0.00 0.00 175.10 175.92 2dlx s TYR 84 N 0.71 2.94 0.33 2.82 2.02 -1.26 -1.99 117.35 122.92 2dlx s TYR 84 Ca -0.06 0.94 0.18 0.00 -0.37 0.00 0.00 57.07 57.76 2dlx s TYR 84 Cb -0.09 -3.58 1.19 0.00 -0.40 0.00 0.00 41.96 39.07 2dlx s TYR 84 CO -0.02 -2.08 1.43 1.58 -1.57 0.00 0.00 175.55 174.89 2dlx n HIS 85 N 5.40 1.03 -0.10 2.71 -0.00 -1.24 0.17 115.22 123.19 2dlx n HIS 85 Ca 0.13 1.07 -0.11 0.00 -0.00 0.00 0.00 57.72 58.80 2dlx n HIS 85 Cb 0.44 -1.46 -0.04 0.00 -0.00 0.00 0.00 29.99 28.94 2dlx n HIS 85 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 2dlx h ASP 86 N 0.00 0.52 -3.23 0.26 5.19 -1.89 -2.82 116.42 114.45 2dlx h ASP 86 Ca 0.75 -0.35 -0.58 0.00 -0.62 0.00 0.00 57.03 56.24 2dlx h ASP 86 Cb 1.97 -0.14 0.16 0.00 0.18 0.00 0.00 39.33 41.50 2dlx h ASP 86 CO -0.71 0.75 -0.02 -1.54 -3.12 0.00 0.00 179.24 174.60 2dlx n SER 87 N -4.54 0.36 -0.08 6.45 3.41 0.45 -4.67 113.62 114.99 2dlx n SER 87 Ca -0.03 0.85 -0.12 0.00 -0.26 0.00 0.00 58.87 59.31 2dlx n SER 87 Cb 0.29 -1.31 -0.08 0.00 -0.26 0.00 0.00 64.21 62.84 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 0.71 -0.37 -0.98 4.33 4.57 -1.86 0.60 114.58 121.57 2dlx h GLU 88 Ca -0.46 0.03 0.31 0.00 -1.18 0.00 0.00 59.36 58.06 2dlx h GLU 88 Cb 1.37 0.08 -0.15 0.00 -0.16 0.00 0.00 28.75 29.89 2dlx h GLU 88 CO 0.51 -0.25 0.49 0.93 -1.18 0.00 0.00 179.01 179.51 2dlx h GLU 89 N -0.39 0.25 0.20 1.92 5.08 -1.90 -2.05 114.58 117.70 2dlx h GLU 89 Ca 0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2dlx h GLU 89 Cb 0.53 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2dlx h GLU 89 CO -0.46 0.17 -0.13 0.78 -1.00 0.00 0.00 179.01 178.36 2dlx h GLY 90 N 0.26 -0.59 -0.81 -3.84 0.00 -1.01 -2.91 103.07 94.17 2dlx h GLY 90 Ca 0.71 0.25 0.25 0.00 0.00 0.00 0.00 47.33 48.53 2dlx h GLY 90 CO -0.64 -0.21 0.10 -1.06 0.00 0.00 0.00 176.54 174.73 2dlx n GLN 91 N -3.03 -0.06 -0.16 4.80 1.13 -0.79 0.63 117.38 119.90 2dlx n GLN 91 Ca -0.04 1.20 -0.07 0.00 -1.94 0.00 0.00 57.00 56.15 2dlx n GLN 91 Cb 0.13 -1.95 -0.01 0.00 0.11 0.00 0.00 30.24 28.53 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 -0.20 0.14 -1.09 2.47 -1.30 -1.61 114.38 112.78 2dlx h ARG 92 Ca 0.53 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 59.28 2dlx h ARG 92 Cb 1.17 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.50 2dlx h ARG 92 CO -0.74 -0.14 -0.31 -0.92 0.56 0.00 0.00 179.97 178.42 2dlx h TYR 93 N -0.21 -0.85 -0.93 3.04 3.20 0.22 0.12 116.97 121.55 2dlx h TYR 93 Ca 0.20 0.02 0.28 0.00 3.14 0.00 0.00 58.73 62.36 2dlx h TYR 93 Cb 0.55 0.36 -0.15 0.00 1.54 0.00 0.00 36.73 39.02 2dlx h TYR 93 CO -0.60 -0.42 0.32 0.82 -1.64 0.00 0.00 178.16 176.64 2dlx h ILE 94 N -0.55 0.25 -0.08 1.81 5.03 -1.15 0.43 117.51 123.26 2dlx h ILE 94 Ca 0.03 -0.07 -0.22 0.00 -0.12 0.00 0.00 64.86 64.48 2dlx h ILE 94 Cb 0.57 0.04 0.01 0.00 -3.03 0.00 0.00 36.82 34.40 2dlx h ILE 94 CO -0.17 0.04 -0.84 1.56 -0.68 0.00 0.00 178.15 178.05 2dlx h GLN 95 N 0.19 0.59 -0.12 2.37 1.08 -0.57 0.41 115.11 119.06 2dlx h GLN 95 Ca 0.63 -0.53 0.01 0.00 -1.45 0.00 0.00 58.65 57.31 2dlx h GLN 95 Cb 1.36 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.91 2dlx h GLN 95 CO -0.69 1.15 -0.07 0.34 -0.95 0.00 0.00 178.83 178.61 2dlx n PHE 96 N -3.85 -0.05 -0.83 2.96 -0.00 0.15 -2.04 117.46 113.80 2dlx n PHE 96 Ca -0.07 0.15 0.08 0.00 -0.00 0.00 0.00 57.45 57.61 2dlx n PHE 96 Cb 0.77 -0.43 0.21 0.00 -0.00 0.00 0.00 39.48 40.03 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 -3.14 0.67 -3.44 -5.13 4.02 -1.20 -4.96 117.16 103.99 2dlx n TYR 97 Ca 0.00 -0.82 -0.24 0.00 -0.01 0.00 0.00 57.90 56.84 2dlx n TYR 97 Cb 0.03 -0.23 0.07 0.00 -0.02 0.00 0.00 39.34 39.19 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 -0.49 -7.13 -1.01 -0.72 4.76 0.32 -4.94 118.16 108.95 2dlx n LYS 98 Ca 0.18 0.86 -0.34 0.00 -2.87 0.00 0.00 58.31 56.14 2dlx n LYS 98 Cb 0.75 -5.86 0.12 0.00 -1.84 0.00 0.00 35.03 28.19 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 -4.74 2.24 -2.26 -0.35 0.00 0.12 -4.95 117.00 107.05 2dlx n LEU 99 Ca -0.03 0.50 -0.02 0.00 0.00 0.00 0.00 56.01 56.46 2dlx n LEU 99 Cb 0.58 -1.36 0.05 0.00 0.00 0.00 0.00 43.42 42.69 2dlx n LEU 99 CO 0.60 -2.59 0.48 0.61 0.00 0.00 0.00 177.39 176.49 2dlx n GLY 100 N 1.03 0.28 3.75 -3.96 0.00 -1.26 -4.84 105.19 100.18 2dlx n GLY 100 Ca 0.11 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.53 -0.33 -0.02 1.61 1.47 -1.26 -5.19 116.67 112.42 2dlx s ASP 101 Ca 0.06 -0.45 -0.29 0.00 1.18 0.00 0.00 52.55 53.06 2dlx s ASP 101 Cb 0.20 0.68 0.08 0.00 -0.34 0.00 0.00 42.92 43.54 2dlx s ASP 101 CO -0.05 -1.22 0.73 -0.36 0.68 0.00 0.00 175.17 174.94 2dlx s PHE 102 N -3.83 -0.57 0.72 2.11 0.40 -1.26 -4.34 117.98 111.20 2dlx s PHE 102 Ca 0.09 0.83 -0.13 0.00 -0.60 0.00 0.00 56.93 57.12 2dlx s PHE 102 Cb -0.04 0.45 0.03 0.00 0.51 0.00 0.00 43.02 43.97 2dlx s PHE 102 CO 0.02 -0.61 1.10 -1.25 0.70 0.00 0.00 175.22 175.18 2dlx s PRO 103 N -1.82 2.51 -0.01 0.24 0.04 -1.26 -4.93 135.00 129.77 2dlx s PRO 103 Ca -0.06 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.27 2dlx s PRO 103 Cb -0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2dlx s PRO 103 CO 0.03 -1.46 -0.04 -0.47 0.04 0.00 0.00 177.00 175.10 2dlx s TYR 104 N -2.63 0.46 -0.08 0.56 6.14 -1.26 -4.64 117.35 115.90 2dlx s TYR 104 Ca 0.64 -0.09 -0.07 0.00 0.64 0.00 0.00 57.07 58.19 2dlx s TYR 104 Cb -0.19 -0.34 0.03 0.00 0.42 0.00 0.00 41.96 41.87 2dlx s TYR 104 CO 0.49 -0.04 0.21 0.08 0.64 0.00 0.00 175.55 176.93 2dlx s VAL 105 N 0.15 -0.01 -0.07 3.14 1.01 -0.07 -4.34 120.40 120.22 2dlx s VAL 105 Ca -0.01 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 2dlx s VAL 105 Cb -0.05 -0.31 0.06 0.00 0.00 0.00 0.00 36.38 36.08 2dlx s VAL 105 CO -0.00 0.01 0.59 -0.55 0.00 0.00 0.00 175.10 175.15 2dlx s SER 106 N 0.32 -0.56 -0.22 3.32 0.15 -1.24 -0.30 113.70 115.17 2dlx s SER 106 Ca -0.02 0.65 -0.06 0.00 0.70 0.00 0.00 55.95 57.23 2dlx s SER 106 Cb -0.03 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.85 2dlx s SER 106 CO -0.01 -0.52 0.02 -0.63 1.20 0.00 0.00 173.24 173.30 2dlx s ILE 107 N -1.01 4.00 0.41 6.45 1.01 -1.22 -2.43 121.20 128.41 2dlx s ILE 107 Ca -0.10 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.34 2dlx s ILE 107 Cb -0.02 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 2dlx s ILE 107 CO 0.08 0.40 0.49 -0.76 0.00 0.00 0.00 174.94 175.14 2dlx s LEU 108 N 1.28 3.61 -0.17 2.97 1.02 -0.50 -2.16 118.68 124.72 2dlx s LEU 108 Ca 0.04 -0.50 -0.01 0.00 0.02 0.00 0.00 54.13 53.68 2dlx s LEU 108 Cb -0.15 -2.47 -0.00 0.00 0.02 0.00 0.00 46.19 43.60 2dlx s LEU 108 CO 0.02 -0.68 -0.13 -0.62 0.02 0.00 0.00 176.35 174.96 2dlx s ASP 109 N -4.25 3.80 0.00 2.29 -1.08 -1.21 -2.79 116.67 113.43 2dlx s ASP 109 Ca 0.51 -0.46 0.15 0.00 -0.52 0.00 0.00 52.55 52.23 2dlx s ASP 109 Cb -0.08 -1.60 0.74 0.00 -1.46 0.00 0.00 42.92 40.52 2dlx s ASP 109 CO 0.31 0.05 1.41 -0.81 0.52 0.00 0.00 175.17 176.65 2dlx n PRO 110 N 4.28 0.20 -0.13 4.34 -0.04 -1.26 0.95 135.00 143.34 2dlx n PRO 110 Ca -0.19 0.15 -0.28 0.00 -0.04 0.00 0.00 63.50 63.14 2dlx n PRO 110 Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.29 0.58 -0.10 0.54 5.12 -1.26 -4.45 116.66 115.80 2dlx n ARG 111 Ca 0.07 0.33 -0.22 0.00 -1.93 0.00 0.00 57.85 56.09 2dlx n ARG 111 Cb 0.12 -1.54 -0.12 0.00 -1.16 0.00 0.00 32.46 29.76 2dlx n ARG 111 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2dlx n THR 112 N -4.29 1.57 -1.73 0.55 -2.24 -1.19 -5.03 114.28 101.92 2dlx n THR 112 Ca -0.49 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 2dlx n THR 112 Cb 0.84 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 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 1.86 0.94 3.74 3.38 0.00 0.27 -5.00 105.19 110.37 2dlx n GLY 113 Ca -0.43 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.52 2.15 -0.46 1.61 -2.07 -1.26 -4.85 119.66 111.26 2dlx s GLN 114 Ca 0.00 -2.26 -0.21 0.00 -1.82 0.00 0.00 55.36 51.07 2dlx s GLN 114 Cb 0.00 -1.65 0.03 0.00 -1.09 0.00 0.00 33.01 30.30 2dlx s GLN 114 CO 0.00 -0.30 0.70 0.21 -1.32 0.00 0.00 175.29 174.58 2dlx s LYS 115 N -3.88 3.29 -0.09 9.60 2.20 -1.26 -3.29 119.74 126.30 2dlx s LYS 115 Ca 0.18 -0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.42 2dlx s LYS 115 Cb 0.03 -3.97 -0.00 0.00 -1.51 0.00 0.00 37.83 32.38 2dlx s LYS 115 CO 0.10 -1.09 -0.01 -0.07 -0.36 0.00 0.00 175.35 173.91 2dlx h LEU 116 N 9.89 0.00 -9.53 5.43 3.38 -1.80 -3.49 115.31 119.19 2dlx h LEU 116 Ca -0.26 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.14 2dlx h LEU 116 Cb 1.09 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.71 2dlx h LEU 116 CO 0.93 0.45 -0.59 0.68 0.09 0.00 0.00 178.44 180.01 2dlx s VAL 117 N -1.52 1.50 -0.24 1.22 -7.23 -1.24 -5.01 120.40 107.87 2dlx s VAL 117 Ca -0.01 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.09 2dlx s VAL 117 Cb 0.00 -2.78 0.11 0.00 0.56 0.00 0.00 36.38 34.28 2dlx s VAL 117 CO 0.01 0.00 0.49 -1.83 -0.31 0.00 0.00 175.10 173.46 2dlx s GLU 118 N -3.80 0.41 -0.04 4.82 1.03 -1.26 -3.38 118.70 116.48 2dlx s GLU 118 Ca 0.31 1.10 0.04 0.00 0.03 0.00 0.00 54.97 56.45 2dlx s GLU 118 Cb 0.08 0.42 -0.00 0.00 -0.80 0.00 0.00 34.13 33.83 2dlx s GLU 118 CO 0.15 -0.30 -0.15 -1.58 -1.33 0.00 0.00 175.26 172.06 2dlx s TRP 119 N 2.70 1.47 -0.17 4.83 0.51 0.59 -5.01 118.94 123.87 2dlx s TRP 119 Ca -0.00 -0.41 -0.14 0.00 -2.12 0.00 0.00 56.10 53.43 2dlx s TRP 119 Cb -0.13 -1.01 -0.06 0.00 -0.81 0.00 0.00 33.47 31.47 2dlx s TRP 119 CO -0.15 -0.15 -0.22 1.58 -0.51 0.00 0.00 176.95 177.50 2dlx n HIS 120 N 3.20 0.56 -3.98 -1.98 -0.00 -1.26 -0.89 115.22 110.87 2dlx n HIS 120 Ca -0.18 0.24 -0.35 0.00 0.46 0.00 0.00 57.72 57.89 2dlx n HIS 120 Cb 0.53 -0.72 -0.14 0.00 -0.12 0.00 0.00 29.99 29.54 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 -2.50 3.35 0.27 1.57 0.74 -1.26 -4.28 119.66 117.55 2dlx s GLN 121 Ca -0.22 -0.64 0.07 0.00 0.05 0.00 0.00 55.36 54.61 2dlx s GLN 121 Cb 0.04 -2.95 -0.06 0.00 1.10 0.00 0.00 33.01 31.14 2dlx s GLN 121 CO 0.34 -0.17 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.33 2dlx s LEU 122 N 1.39 2.48 0.24 3.68 1.43 -1.26 -5.05 118.68 121.59 2dlx s LEU 122 Ca 0.05 -1.17 0.01 0.00 -1.03 0.00 0.00 54.13 51.99 2dlx s LEU 122 Cb -0.14 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 2dlx s LEU 122 CO -0.04 -0.32 0.14 -1.81 0.23 0.00 0.00 176.35 174.56 2dlx s ASP 123 N -3.43 0.69 0.10 2.29 1.11 -1.26 -4.95 116.67 111.23 2dlx s ASP 123 Ca 0.29 -1.45 -0.33 0.00 0.18 0.00 0.00 52.55 51.23 2dlx s ASP 123 Cb 0.03 0.36 -0.13 0.00 1.07 0.00 0.00 42.92 44.25 2dlx s ASP 123 CO 0.11 -0.85 1.57 0.58 1.18 0.00 0.00 175.17 177.76 2dlx h VAL 124 N 2.47 0.08 0.01 -1.27 2.07 -1.90 0.35 116.25 118.05 2dlx h VAL 124 Ca -0.35 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2dlx h VAL 124 Cb 1.25 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2dlx h VAL 124 CO 0.52 0.00 -0.00 -1.28 0.02 0.00 0.00 177.57 176.83 2dlx h SER 125 N -0.78 -0.01 -0.66 0.57 0.87 -1.98 -3.19 113.55 108.37 2dlx h SER 125 Ca -0.01 -0.61 0.14 0.00 -1.23 0.00 0.00 61.79 60.08 2dlx h SER 125 Cb 0.76 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.61 2dlx h SER 125 CO -0.20 0.61 0.03 -1.28 -0.53 0.00 0.00 176.83 175.46 2dlx h SER 126 N -0.62 -0.23 0.17 6.23 0.87 -1.95 -0.65 113.55 117.37 2dlx h SER 126 Ca -0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2dlx h SER 126 Cb 0.61 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 2dlx h SER 126 CO 0.00 -0.11 -0.40 0.15 -0.53 0.00 0.00 176.83 175.94 2dlx h PHE 127 N 0.14 -1.15 -0.58 2.24 3.57 -0.35 -0.91 116.94 119.91 2dlx h PHE 127 Ca 0.36 0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.00 2dlx h PHE 127 Cb 0.59 0.48 -0.10 0.00 2.79 0.00 0.00 35.95 39.71 2dlx h PHE 127 CO -0.36 -0.47 0.01 -0.07 -2.23 0.00 0.00 178.31 175.19 2dlx h LEU 128 N -0.63 -0.24 -0.57 0.59 3.38 -1.40 0.40 115.31 116.85 2dlx h LEU 128 Ca -0.02 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.20 2dlx h LEU 128 Cb 0.60 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.51 2dlx h LEU 128 CO -0.17 -0.10 0.06 -0.78 0.09 0.00 0.00 178.44 177.54 2dlx h ASP 129 N 0.13 -0.13 0.34 -0.43 3.58 -0.68 0.13 116.42 119.35 2dlx h ASP 129 Ca 0.30 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.86 2dlx h ASP 129 Cb 0.48 0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.73 2dlx h ASP 129 CO -0.49 -0.05 -0.16 1.56 -2.88 0.00 0.00 179.24 177.22 2dlx h GLN 130 N 0.18 -0.44 -0.67 0.28 1.08 0.26 -3.16 115.11 112.63 2dlx h GLN 130 Ca 0.29 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.59 2dlx h GLN 130 Cb 0.45 0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 27.88 2dlx h GLN 130 CO -0.43 -0.29 -0.55 0.28 -0.95 0.00 0.00 178.83 176.88 2dlx h VAL 131 N -0.99 0.00 -0.88 -0.54 2.07 -0.16 0.59 116.25 116.34 2dlx h VAL 131 Ca -0.05 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.66 2dlx h VAL 131 Cb 0.35 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.96 2dlx h VAL 131 CO 0.08 0.00 -0.18 0.71 0.02 0.00 0.00 177.57 178.20 2dlx h THR 132 N -0.19 0.13 0.45 2.57 1.35 -0.87 -1.57 112.91 114.78 2dlx h THR 132 Ca 0.11 -0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.95 2dlx h THR 132 Cb 0.48 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.00 2dlx h THR 132 CO -0.73 0.00 -0.40 1.23 -0.25 0.00 0.00 175.52 175.37 2dlx h GLY 133 N 0.01 -1.15 -0.88 5.82 0.00 -0.86 0.18 103.07 106.18 2dlx h GLY 133 Ca 0.44 0.52 0.11 0.00 0.00 0.00 0.00 47.33 48.40 2dlx h GLY 133 CO -0.89 -0.36 -0.42 0.33 0.00 0.00 0.00 176.54 175.20 2dlx n PHE 134 N -4.84 -0.16 0.03 5.60 -0.00 -0.63 0.03 117.46 117.49 2dlx n PHE 134 Ca -0.10 1.10 -0.12 0.00 -0.00 0.00 0.00 57.45 58.33 2dlx n PHE 134 Cb 0.37 -0.72 -0.07 0.00 -0.00 0.00 0.00 39.48 39.07 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 0.02 -1.37 -2.13 3.38 -1.33 0.32 115.31 114.20 2dlx h LEU 135 Ca 0.23 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.35 2dlx h LEU 135 Cb 0.46 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 2dlx h LEU 135 CO -0.86 0.01 0.55 1.23 0.09 0.00 0.00 178.44 179.47 2dlx h GLY 136 N 0.03 1.05 0.00 0.83 0.00 0.17 0.46 103.07 105.60 2dlx h GLY 136 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2dlx h GLY 136 CO -0.01 0.09 -0.04 -2.09 0.00 0.00 0.00 176.54 174.49 2dlx h GLU 137 N 0.62 0.00 0.00 4.80 4.22 0.07 -3.44 114.58 120.85 2dlx h GLU 137 Ca 0.42 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.86 2dlx h GLU 137 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2dlx h GLU 137 CO -0.17 0.00 -0.27 0.45 -2.18 0.00 0.00 179.01 176.83 2dlx h HIS 138 N -0.81 0.00 0.00 0.92 -0.00 -0.31 -3.51 115.15 111.44 2dlx h HIS 138 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2dlx h HIS 138 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 2dlx h HIS 138 CO -0.02 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.32 2dlx n GLY 139 N 1.70 0.41 0.01 2.45 0.00 0.16 -4.89 105.19 105.02 2dlx n GLY 139 Ca -0.04 -2.05 -0.00 0.00 0.00 0.00 0.00 46.02 43.92 2dlx n GLY 139 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dlx h GLN 140 N 0.00 0.00 -3.49 1.61 4.15 -1.93 -3.40 115.11 112.05 2dlx h GLN 140 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 2dlx h GLN 140 Cb 0.00 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 2dlx h GLN 140 CO 0.00 0.00 0.01 -0.51 -1.93 0.00 0.00 178.83 176.40 2dlx s LEU 141 N -5.01 0.27 0.53 -2.39 1.43 -1.26 -4.65 118.68 107.60 2dlx s LEU 141 Ca -0.01 -1.01 -0.22 0.00 -1.03 0.00 0.00 54.13 51.86 2dlx s LEU 141 Cb 0.00 2.10 -0.06 0.00 0.03 0.00 0.00 46.19 48.27 2dlx s LEU 141 CO 0.02 -1.31 1.31 -0.67 0.23 0.00 0.00 176.35 175.92 2dlx n ASP 142 N -0.77 2.47 -4.68 2.29 2.03 -1.26 -4.93 116.55 111.71 2dlx n ASP 142 Ca -0.03 0.98 -0.43 0.00 0.52 0.00 0.00 54.79 55.84 2dlx n ASP 142 Cb 0.61 -1.55 -0.02 0.00 -0.72 0.00 0.00 41.12 39.44 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 -0.89 2.07 0.27 0.27 0.00 -1.26 -5.03 107.32 102.75 2dlx s GLY 143 Ca 0.71 0.42 -0.16 0.00 0.00 0.00 0.00 44.72 45.68 2dlx s GLY 143 CO 0.50 2.12 0.71 0.48 0.00 0.00 0.00 173.10 176.92 2dlx s LEU 144 N 2.47 4.19 -0.25 0.66 0.05 -1.26 -5.01 118.68 119.53 2dlx s LEU 144 Ca 0.50 1.30 -0.09 0.00 0.05 0.00 0.00 54.13 55.89 2dlx s LEU 144 Cb -0.20 -3.83 -0.16 0.00 -2.05 0.00 0.00 46.19 39.96 2dlx s LEU 144 CO 0.16 -0.09 -0.19 -1.20 -0.55 0.00 0.00 176.35 174.48 2dlx n SER 145 N 0.12 1.97 -4.66 1.48 7.64 -1.26 -4.98 113.62 113.93 2dlx n SER 145 Ca 0.01 0.17 -0.38 0.00 1.01 0.00 0.00 58.87 59.68 2dlx n SER 145 Cb 0.52 -0.70 0.05 0.00 -1.01 0.00 0.00 64.21 63.07 2dlx n SER 145 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dlx n SER 146 N -3.86 1.43 -4.75 6.43 2.88 -1.26 -4.93 113.62 109.56 2dlx n SER 146 Ca -0.47 0.87 -0.41 0.00 -1.33 0.00 0.00 58.87 57.53 2dlx n SER 146 Cb 0.92 -1.45 -0.04 0.00 -0.75 0.00 0.00 64.21 62.89 2dlx n SER 146 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dlx s SER 147 N -1.13 7.21 -0.13 -3.46 0.15 -1.26 -5.04 113.70 110.05 2dlx s SER 147 Ca 0.74 2.20 0.02 0.00 0.70 0.00 0.00 55.95 59.61 2dlx s SER 147 Cb -0.43 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.28 2dlx s SER 147 CO 0.48 -0.24 -0.21 -0.94 1.20 0.00 0.00 173.24 173.53 2dlx s SER 148 N -0.32 2.98 -0.60 5.45 1.04 -1.26 -5.09 113.70 115.91 2dlx s SER 148 Ca 0.49 -0.57 -0.04 0.00 0.48 0.00 0.00 55.95 56.31 2dlx s SER 148 Cb -0.31 -1.37 0.16 0.00 0.10 0.00 0.00 66.02 64.59 2dlx s SER 148 CO 0.38 0.07 0.42 -0.83 0.98 0.00 0.00 173.24 174.26 2dlx s GLY 149 N 0.82 2.41 0.36 7.32 0.00 -1.26 -5.08 107.32 111.89 2dlx s GLY 149 Ca -0.08 -3.11 -0.27 0.00 0.00 0.00 0.00 44.72 41.26 2dlx s GLY 149 CO -0.01 1.10 1.20 2.56 0.00 0.00 0.00 173.10 177.95 2dlx s PRO 150 N 0.22 4.22 0.19 2.90 0.04 -1.26 -5.00 135.00 136.31 2dlx s PRO 150 Ca 0.15 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 2dlx s PRO 150 Cb -0.20 -2.87 -0.08 0.00 0.04 0.00 0.00 34.50 31.39 2dlx s PRO 150 CO -0.04 -0.21 1.10 -1.54 0.04 0.00 0.00 177.00 176.35 2dlx s SER 151 N -0.89 7.28 -0.19 6.66 1.04 -1.26 -5.04 113.70 121.30 2dlx s SER 151 Ca 0.53 2.11 0.01 0.00 0.48 0.00 0.00 55.95 59.07 2dlx s SER 151 Cb -0.34 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.21 2dlx s SER 151 CO 0.44 -0.20 -0.13 -0.55 0.98 0.00 0.00 173.24 173.77 2dlx s SER 152 N -0.22 3.33 0.00 7.02 0.15 -1.26 -5.35 113.70 117.37 2dlx s SER 152 Ca 0.49 -0.82 0.13 0.00 0.70 0.00 0.00 55.95 56.44 2dlx s SER 152 Cb -0.30 -1.31 0.75 0.00 -1.71 0.00 0.00 66.02 63.45 2dlx s SER 152 CO 0.35 -0.10 1.18 0.61 1.20 0.00 0.00 173.24 176.48