#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k90 n SER 3 N 0.00 2.84 -4.19 0.00 3.41 -1.26 0.28 113.62 114.70 3k90 n SER 3 Ca 0.00 -1.90 -0.39 0.00 -0.26 0.00 0.00 58.87 56.32 3k90 n SER 3 Cb 0.00 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 3k90 n SER 3 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3k90 s GLU 4 N -1.71 2.34 0.36 4.33 0.41 -1.26 -4.61 118.70 118.57 3k90 s GLU 4 Ca 0.35 -1.74 -0.25 0.00 -0.41 0.00 0.00 54.97 52.91 3k90 s GLU 4 Cb 0.21 -3.80 -0.09 0.00 -1.78 0.00 0.00 34.13 28.67 3k90 s GLU 4 CO 0.30 -1.12 1.03 -0.51 -0.49 0.00 0.00 175.26 174.47 3k90 s LEU 5 N 1.30 4.25 0.72 1.80 1.43 -1.26 -5.04 118.68 121.88 3k90 s LEU 5 Ca 0.06 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 3k90 s LEU 5 Cb -0.25 -4.06 0.03 0.00 0.03 0.00 0.00 46.19 41.94 3k90 s LEU 5 CO -0.02 -0.33 1.07 0.42 0.23 0.00 0.00 176.35 177.73 3k90 s THR 6 N -1.58 3.73 0.45 5.49 -4.23 -1.26 -4.85 115.64 113.40 3k90 s THR 6 Ca 0.54 0.57 0.13 0.00 -1.18 0.00 0.00 61.69 61.75 3k90 s THR 6 Cb -0.22 -3.20 0.29 0.00 1.34 0.00 0.00 72.50 70.71 3k90 s THR 6 CO 0.28 -0.72 2.06 -0.65 -0.54 0.00 0.00 174.62 175.04 3k90 h PRO 7 N -0.84 0.33 -0.32 3.99 0.11 -1.99 -1.03 132.00 132.26 3k90 h PRO 7 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3k90 h PRO 7 Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3k90 h PRO 7 CO 0.55 0.22 0.18 0.93 -0.21 0.00 0.00 178.00 179.66 3k90 h GLU 8 N 0.34 0.43 -0.67 1.05 3.07 -2.00 -1.89 114.58 114.91 3k90 h GLU 8 Ca 0.16 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.90 3k90 h GLU 8 Cb 0.20 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 3k90 h GLU 8 CO -0.03 0.35 0.14 0.93 -1.40 0.00 0.00 179.01 178.99 3k90 h GLU 9 N 0.40 1.08 -0.54 2.33 5.08 -1.74 -2.39 114.58 118.81 3k90 h GLU 9 Ca 0.11 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 3k90 h GLU 9 Cb 0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3k90 h GLU 9 CO -0.02 0.98 -0.12 0.00 -1.00 0.00 0.00 179.01 178.84 3k90 h ARG 10 N 1.01 1.02 -0.71 2.33 3.08 -1.04 -1.52 114.38 118.55 3k90 h ARG 10 Ca 0.21 -0.38 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 3k90 h ARG 10 Cb 0.39 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3k90 h ARG 10 CO 0.01 1.07 0.26 0.77 -1.07 0.00 0.00 179.97 181.01 3k90 h SER 11 N 0.91 1.00 0.69 7.04 0.02 -1.30 -2.52 113.55 119.37 3k90 h SER 11 Ca 0.14 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3k90 h SER 11 Cb 0.69 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3k90 h SER 11 CO 0.05 0.91 -0.18 -0.08 -1.14 0.00 0.00 176.83 176.39 3k90 h GLU 12 N 1.02 0.00 0.00 3.45 4.57 -1.06 -3.17 114.58 119.39 3k90 h GLU 12 Ca 0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 3k90 h GLU 12 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3k90 h GLU 12 CO -0.02 0.18 -0.85 1.28 -1.18 0.00 0.00 179.01 178.43 3k90 n LEU 13 N -3.48 0.83 -0.18 1.64 4.32 -0.60 -4.50 117.00 115.02 3k90 n LEU 13 Ca -0.01 -0.33 -0.02 0.00 -0.02 0.00 0.00 56.01 55.64 3k90 n LEU 13 Cb 0.35 -0.08 0.08 0.00 -1.62 0.00 0.00 43.42 42.15 3k90 n LEU 13 CO 0.32 0.20 0.98 0.50 -1.22 0.00 0.00 177.39 178.17 3k90 h LYS 14 N 0.00 0.39 -0.58 3.23 3.64 -1.43 0.02 116.57 121.84 3k90 h LYS 14 Ca 0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 3k90 h LYS 14 Cb 0.51 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3k90 h LYS 14 CO 0.00 0.26 0.00 -0.91 -2.27 0.00 0.00 179.45 176.53 3k90 h ASN 15 N 0.40 1.00 -0.65 4.20 2.35 -1.81 -1.37 115.58 119.70 3k90 h ASN 15 Ca 0.26 -0.31 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 3k90 h ASN 15 Cb 0.29 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3k90 h ASN 15 CO -0.26 1.06 0.19 0.28 -1.65 0.00 0.00 177.43 177.05 3k90 h SER 16 N 0.91 0.96 0.05 5.81 0.02 -1.71 -0.84 113.55 118.74 3k90 h SER 16 Ca 0.16 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3k90 h SER 16 Cb 0.55 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3k90 h SER 16 CO 0.03 0.92 -0.08 0.40 -1.14 0.00 0.00 176.83 176.96 3k90 h ILE 17 N 0.94 0.80 -0.89 3.27 2.04 -0.81 0.17 117.51 123.04 3k90 h ILE 17 Ca 0.21 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.15 3k90 h ILE 17 Cb 0.32 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 3k90 h ILE 17 CO -0.00 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.68 3k90 h ALA 18 N 0.78 1.26 0.03 1.87 0.00 -1.12 -0.86 119.26 121.22 3k90 h ALA 18 Ca 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3k90 h ALA 18 Cb 0.18 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3k90 h ALA 18 CO -0.05 0.20 -0.64 1.49 0.00 0.00 0.00 179.25 180.25 3k90 h GLU 19 N 0.91 0.37 0.00 0.00 4.81 -0.73 -3.39 114.58 116.55 3k90 h GLU 19 Ca 0.41 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3k90 h GLU 19 Cb 0.32 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3k90 h GLU 19 CO -0.23 1.13 -0.89 1.19 -0.73 0.00 0.00 179.01 179.48 3k90 n PHE 20 N -4.21 0.00 -1.33 0.92 3.72 0.55 -4.73 117.46 112.38 3k90 n PHE 20 Ca -0.11 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.36 3k90 n PHE 20 Cb 0.70 -0.07 0.11 0.00 -0.94 0.00 0.00 39.48 39.28 3k90 n PHE 20 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3k90 n HIS 21 N -1.48 0.00 -4.02 1.38 8.25 -0.35 -4.86 115.22 114.13 3k90 n HIS 21 Ca -0.00 -0.79 -0.34 0.00 -0.26 0.00 0.00 57.72 56.33 3k90 n HIS 21 Cb 0.11 -0.13 -0.15 0.00 1.12 0.00 0.00 29.99 30.94 3k90 n HIS 21 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3k90 s THR 22 N -2.21 2.55 -0.07 1.59 2.01 -1.05 -4.92 115.64 113.54 3k90 s THR 22 Ca 0.25 -1.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 3k90 s THR 22 Cb 0.22 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 3k90 s THR 22 CO 0.01 0.23 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.85 3k90 s TYR 23 N 1.27 3.08 -0.46 4.92 2.02 -1.26 -5.00 117.35 121.92 3k90 s TYR 23 Ca -0.00 0.13 -0.27 0.00 -0.37 0.00 0.00 57.07 56.56 3k90 s TYR 23 Cb -0.16 -1.75 0.03 0.00 -0.40 0.00 0.00 41.96 39.68 3k90 s TYR 23 CO -0.07 0.43 0.99 -0.65 -1.57 0.00 0.00 175.55 174.69 3k90 s GLN 24 N -0.98 3.61 0.22 -0.62 1.11 -1.26 -5.03 119.66 116.71 3k90 s GLN 24 Ca 0.14 0.31 -0.30 0.00 0.01 0.00 0.00 55.36 55.53 3k90 s GLN 24 Cb -0.11 -3.91 -0.09 0.00 -1.01 0.00 0.00 33.01 27.89 3k90 s GLN 24 CO 0.03 -1.26 0.93 -0.51 0.01 0.00 0.00 175.29 174.49 3k90 s LEU 25 N 3.97 4.63 0.37 2.90 1.43 -1.26 -5.05 118.68 125.67 3k90 s LEU 25 Ca 0.41 1.90 -0.25 0.00 -1.03 0.00 0.00 54.13 55.16 3k90 s LEU 25 Cb -0.09 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 3k90 s LEU 25 CO 0.28 0.14 1.05 -1.81 0.23 0.00 0.00 176.35 176.24 3k90 s ASP 26 N -1.06 6.91 0.23 2.29 1.01 -1.26 -5.01 116.67 119.78 3k90 s ASP 26 Ca 0.41 2.07 -0.31 0.00 0.71 0.00 0.00 52.55 55.43 3k90 s ASP 26 Cb -0.25 -2.59 -0.14 0.00 1.01 0.00 0.00 42.92 40.94 3k90 s ASP 26 CO 0.31 -0.39 1.34 -2.65 0.21 0.00 0.00 175.17 174.00 3k90 n PRO 27 N 0.24 1.83 -0.73 8.23 -0.02 -1.26 -2.01 135.00 141.29 3k90 n PRO 27 Ca 0.03 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3k90 n PRO 27 Cb 0.49 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3k90 n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k90 n GLY 28 N 2.08 0.55 3.43 -1.23 0.00 -1.26 -5.02 105.19 103.75 3k90 n GLY 28 Ca 0.12 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 3k90 n GLY 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k90 s SER 29 N -2.68 2.21 0.08 1.61 1.04 -0.85 -0.01 113.70 115.10 3k90 s SER 29 Ca 0.00 -1.41 -0.07 0.00 0.48 0.00 0.00 55.95 54.95 3k90 s SER 29 Cb 0.00 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 3k90 s SER 29 CO 0.00 -0.66 0.15 0.00 0.98 0.00 0.00 173.24 173.71 3k90 s SER 31 N -2.82 1.37 0.10 0.00 1.04 -1.26 -1.32 113.70 110.81 3k90 s SER 31 Ca 0.05 -0.52 0.05 0.00 0.48 0.00 0.00 55.95 56.00 3k90 s SER 31 Cb 0.05 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 3k90 s SER 31 CO -0.10 -0.08 -0.13 -0.44 0.98 0.00 0.00 173.24 173.47 3k90 s SER 32 N -1.44 1.72 -0.06 7.02 0.01 -0.80 -4.98 113.70 115.18 3k90 s SER 32 Ca -0.03 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 56.51 3k90 s SER 32 Cb -0.09 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.11 3k90 s SER 32 CO 0.01 -0.16 -0.12 -0.22 0.41 0.00 0.00 173.24 173.17 3k90 s LEU 33 N -2.21 1.65 0.15 2.44 0.20 -1.26 -1.48 118.68 118.17 3k90 s LEU 33 Ca 0.04 -0.28 0.11 0.00 0.69 0.00 0.00 54.13 54.69 3k90 s LEU 33 Cb -0.06 -0.78 -0.04 0.00 -0.43 0.00 0.00 46.19 44.87 3k90 s LEU 33 CO 0.02 0.04 -0.26 -1.00 -0.29 0.00 0.00 176.35 174.86 3k90 s HIS 34 N 0.61 2.30 0.09 5.38 3.76 0.11 -4.99 115.29 122.54 3k90 s HIS 34 Ca -0.13 -0.37 0.07 0.00 -0.15 0.00 0.00 55.06 54.47 3k90 s HIS 34 Cb -0.15 -1.21 -0.03 0.00 1.11 0.00 0.00 32.58 32.30 3k90 s HIS 34 CO 0.03 0.39 -0.17 0.00 -0.85 0.00 0.00 174.74 174.14 3k90 s ALA 35 N -1.27 1.48 -0.08 -1.40 0.00 -1.26 -1.23 121.76 118.00 3k90 s ALA 35 Ca 0.16 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 3k90 s ALA 35 Cb -0.09 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 22.90 3k90 s ALA 35 CO 0.07 0.26 0.15 -1.14 0.00 0.00 0.00 175.76 175.11 3k90 s GLN 36 N -1.82 0.03 0.17 0.00 2.00 0.02 -4.36 119.66 115.70 3k90 s GLN 36 Ca 0.02 0.54 -0.30 0.00 -2.00 0.00 0.00 55.36 53.62 3k90 s GLN 36 Cb -0.10 -0.29 -0.07 0.00 0.80 0.00 0.00 33.01 33.35 3k90 s GLN 36 CO 0.03 -0.30 1.01 0.50 -0.50 0.00 0.00 175.29 176.03 3k90 s ARG 37 N 2.24 4.69 -0.10 1.67 3.52 0.14 -0.66 118.95 130.46 3k90 s ARG 37 Ca 0.03 1.57 -0.01 0.00 -0.13 0.00 0.00 55.73 57.19 3k90 s ARG 37 Cb -0.12 -3.31 0.03 0.00 -1.56 0.00 0.00 34.95 29.98 3k90 s ARG 37 CO -0.06 0.23 -0.06 0.42 -0.81 0.00 0.00 175.30 175.03 3k90 s ILE 38 N -0.40 0.86 -1.29 4.11 1.01 0.12 -4.92 121.20 120.69 3k90 s ILE 38 Ca 0.46 -0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.76 3k90 s ILE 38 Cb -0.26 -0.91 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 3k90 s ILE 38 CO 0.33 0.34 2.09 1.41 0.00 0.00 0.00 174.94 179.10 3k90 n HIS 39 N 4.97 3.32 -3.47 3.97 8.25 -1.26 -1.16 115.22 129.83 3k90 n HIS 39 Ca -0.11 -2.66 -0.14 0.00 -0.26 0.00 0.00 57.72 54.55 3k90 n HIS 39 Cb 0.50 -2.40 -0.04 0.00 1.12 0.00 0.00 29.99 29.18 3k90 n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k90 s ALA 40 N 4.02 -1.59 0.41 -1.41 0.00 -1.26 -4.68 121.76 117.24 3k90 s ALA 40 Ca 0.51 0.71 -0.26 0.00 0.00 0.00 0.00 51.96 52.92 3k90 s ALA 40 Cb 0.12 0.59 -0.09 0.00 0.00 0.00 0.00 23.12 23.75 3k90 s ALA 40 CO -0.02 -0.63 1.29 -1.25 0.00 0.00 0.00 175.76 175.15 3k90 s PRO 41 N -2.93 3.97 0.48 0.00 0.04 -1.26 -3.36 135.00 131.95 3k90 s PRO 41 Ca -0.03 2.12 0.25 0.00 0.04 0.00 0.00 61.00 63.38 3k90 s PRO 41 Cb -0.01 -2.75 1.21 0.00 0.04 0.00 0.00 34.50 33.00 3k90 s PRO 41 CO -0.06 -0.48 1.96 -1.00 0.04 0.00 0.00 177.00 177.47 3k90 h PRO 42 N 2.67 0.00 -0.42 0.56 0.13 -1.89 -1.85 132.00 131.19 3k90 h PRO 42 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 3k90 h PRO 42 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 3k90 h PRO 42 CO 0.63 0.18 -0.07 1.05 -0.23 0.00 0.00 178.00 179.56 3k90 h GLU 43 N 0.00 0.72 -0.28 0.86 9.09 -1.98 -0.43 114.58 122.55 3k90 h GLU 43 Ca -0.00 -0.21 -0.06 0.00 0.05 0.00 0.00 59.36 59.13 3k90 h GLU 43 Cb 0.51 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.53 3k90 h GLU 43 CO 0.02 0.78 -0.07 1.25 0.05 0.00 0.00 179.01 181.03 3k90 h LEU 44 N 0.66 0.54 -0.17 3.06 5.85 -1.73 -1.08 115.31 122.45 3k90 h LEU 44 Ca 0.12 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3k90 h LEU 44 Cb 0.51 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3k90 h LEU 44 CO 0.03 0.79 0.07 0.58 -0.34 0.00 0.00 178.44 179.57 3k90 h VAL 45 N 0.29 1.16 -0.82 1.05 2.07 -1.39 -2.74 116.25 115.87 3k90 h VAL 45 Ca 0.07 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.17 3k90 h VAL 45 Cb 0.55 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3k90 h VAL 45 CO 0.03 0.15 0.50 -0.25 0.02 0.00 0.00 177.57 178.02 3k90 h TRP 46 N 0.13 0.93 -0.25 1.57 2.91 -1.09 -0.93 115.95 119.22 3k90 h TRP 46 Ca 0.06 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.18 3k90 h TRP 46 Cb 0.17 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.51 3k90 h TRP 46 CO -0.01 0.48 0.20 0.66 -1.03 0.00 0.00 178.44 178.73 3k90 h SER 47 N 0.93 0.00 0.03 2.65 4.64 -0.89 0.18 113.55 121.09 3k90 h SER 47 Ca 0.36 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.57 3k90 h SER 47 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3k90 h SER 47 CO -0.17 0.00 -0.57 0.40 -0.87 0.00 0.00 176.83 175.62 3k90 h ILE 48 N 0.00 1.46 -0.73 0.95 2.04 -1.18 -3.39 117.51 116.65 3k90 h ILE 48 Ca 0.12 -2.33 -0.02 0.00 1.00 0.00 0.00 64.86 63.63 3k90 h ILE 48 Cb 0.51 3.00 -0.03 0.00 -0.74 0.00 0.00 36.82 39.56 3k90 h ILE 48 CO -0.00 0.56 0.38 0.58 0.00 0.00 0.00 178.15 179.67 3k90 h VAL 49 N -0.85 1.22 0.00 1.67 2.07 -0.73 -2.89 116.25 116.75 3k90 h VAL 49 Ca -0.14 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3k90 h VAL 49 Cb 1.23 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3k90 h VAL 49 CO -0.03 0.25 0.00 0.08 0.02 0.00 0.00 177.57 177.89 3k90 h ARG 50 N 1.02 0.00 -6.01 1.57 0.11 -1.17 -3.42 114.38 106.49 3k90 h ARG 50 Ca 0.26 0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.72 3k90 h ARG 50 Cb 0.05 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.04 3k90 h ARG 50 CO -0.04 0.00 1.71 1.03 0.10 0.00 0.00 179.97 182.78 3k90 s ARG 51 N -3.37 3.69 0.54 0.08 0.52 -1.09 -4.82 118.95 114.50 3k90 s ARG 51 Ca 0.04 -1.39 0.23 0.00 -0.52 0.00 0.00 55.73 54.08 3k90 s ARG 51 Cb 0.09 -5.41 1.42 0.00 0.52 0.00 0.00 34.95 31.57 3k90 s ARG 51 CO 0.44 -2.27 2.08 0.35 0.02 0.00 0.00 175.30 175.92 3k90 h PHE 52 N 9.09 0.00 0.00 -0.53 3.57 -1.89 -0.94 116.94 126.24 3k90 h PHE 52 Ca 0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3k90 h PHE 52 Cb 0.96 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.70 3k90 h PHE 52 CO 1.33 0.00 -0.23 0.38 -2.23 0.00 0.00 178.31 177.56 3k90 h ASP 53 N 0.00 0.00 -2.15 0.41 -0.00 -1.98 -3.38 116.42 109.32 3k90 h ASP 53 Ca 0.12 -0.05 -0.56 0.00 -0.00 0.00 0.00 57.03 56.54 3k90 h ASP 53 Cb 0.52 0.00 -0.42 0.00 -0.00 0.00 0.00 39.33 39.43 3k90 h ASP 53 CO -0.00 0.02 -0.78 0.29 -0.00 0.00 0.00 179.24 178.77 3k90 n LYS 54 N -2.47 2.72 0.28 4.15 5.02 -0.36 -4.79 118.16 122.73 3k90 n LYS 54 Ca 0.04 -4.49 0.16 0.00 -2.02 0.00 0.00 58.31 52.00 3k90 n LYS 54 Cb 0.47 -2.10 0.84 0.00 -0.02 0.00 0.00 35.03 34.21 3k90 n LYS 54 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3k90 h PRO 55 N 2.96 0.00 0.00 1.97 0.13 -1.75 -3.10 132.00 132.21 3k90 h PRO 55 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 3k90 h PRO 55 Cb 0.64 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 3k90 h PRO 55 CO 0.75 0.06 -0.04 1.96 -0.23 0.00 0.00 178.00 180.51 3k90 h GLN 56 N 0.00 0.00 -0.95 0.86 7.50 -1.89 -0.48 115.11 120.14 3k90 h GLN 56 Ca -0.00 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.24 3k90 h GLN 56 Cb 0.27 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.73 3k90 h GLN 56 CO 0.01 0.04 0.61 1.15 -1.50 0.00 0.00 178.83 179.14 3k90 h THR 57 N 0.00 0.99 0.00 -0.54 2.02 -1.96 -3.32 112.91 110.10 3k90 h THR 57 Ca -0.00 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 3k90 h THR 57 Cb 0.28 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3k90 h THR 57 CO 0.00 0.18 -1.06 0.00 0.37 0.00 0.00 175.52 175.02 3k90 n TYR 58 N -4.54 0.00 -3.86 3.16 0.18 -0.91 -4.88 117.16 106.30 3k90 n TYR 58 Ca 0.16 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.60 3k90 n TYR 58 Cb 0.29 -0.03 -0.05 0.00 -0.38 0.00 0.00 39.34 39.17 3k90 n TYR 58 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3k90 s LYS 59 N -2.08 3.48 0.44 -3.48 1.02 -0.24 -4.24 119.74 114.63 3k90 s LYS 59 Ca -0.00 -0.23 -0.07 0.00 0.02 0.00 0.00 55.97 55.69 3k90 s LYS 59 Cb 0.01 -3.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 3k90 s LYS 59 CO 0.05 0.68 0.75 -1.01 -0.92 0.00 0.00 175.35 174.90 3k90 s HIS 60 N -1.28 3.52 -0.33 3.18 3.76 -1.26 -4.43 115.29 118.46 3k90 s HIS 60 Ca 0.26 0.86 0.00 0.00 -0.15 0.00 0.00 55.06 56.03 3k90 s HIS 60 Cb -0.13 -2.32 0.00 0.00 1.11 0.00 0.00 32.58 31.25 3k90 s HIS 60 CO 0.16 -0.17 0.00 1.19 -0.85 0.00 0.00 174.74 175.07 3k90 n PHE 61 N -1.82 0.00 -3.60 1.40 3.01 -1.26 -5.00 117.46 110.19 3k90 n PHE 61 Ca 0.01 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.08 3k90 n PHE 61 Cb 0.55 -0.91 -0.11 0.00 -0.01 0.00 0.00 39.48 38.99 3k90 n PHE 61 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3k90 s ILE 62 N -2.07 5.11 -0.04 4.37 1.01 -1.26 0.23 121.20 128.55 3k90 s ILE 62 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.36 3k90 s ILE 62 Cb 0.00 -3.50 -0.21 0.00 0.01 0.00 0.00 42.46 38.76 3k90 s ILE 62 CO 0.00 0.17 1.14 0.50 0.00 0.00 0.00 174.94 176.75 3k90 h LYS 63 N 8.39 0.12 -3.01 2.79 3.64 -1.24 -3.48 116.57 123.78 3k90 h LYS 63 Ca -0.34 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 58.95 3k90 h LYS 63 Cb 1.17 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.91 3k90 h LYS 63 CO 0.58 0.73 0.21 -1.54 -2.27 0.00 0.00 179.45 177.17 3k90 s SER 64 N -6.03 -0.47 -0.05 4.20 1.04 -1.22 -5.03 113.70 106.14 3k90 s SER 64 Ca -0.16 -0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 3k90 s SER 64 Cb 0.01 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.80 3k90 s SER 64 CO 0.71 -1.08 -0.01 0.00 0.98 0.00 0.00 173.24 173.84 3k90 s SER 66 N 1.39 3.65 0.00 0.00 1.04 -0.50 -4.98 113.70 114.30 3k90 s SER 66 Ca -0.04 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3k90 s SER 66 Cb -0.13 -0.92 0.00 0.00 0.10 0.00 0.00 66.02 65.07 3k90 s SER 66 CO -0.03 0.28 0.00 1.33 0.98 0.00 0.00 173.24 175.81 3k90 n VAL 67 N 2.71 0.00 -3.60 5.02 0.24 -1.26 -0.87 118.33 120.57 3k90 n VAL 67 Ca -0.17 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.10 3k90 n VAL 67 Cb 0.52 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.83 3k90 n VAL 67 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3k90 s GLN 69 N 0.43 0.43 -1.37 7.34 -0.21 -1.26 -4.98 119.66 120.03 3k90 s GLN 69 Ca 0.00 0.81 -0.04 0.00 0.02 0.00 0.00 55.36 56.15 3k90 s GLN 69 Cb 0.00 0.20 0.00 0.00 1.00 0.00 0.00 33.01 34.21 3k90 s GLN 69 CO 0.00 -0.10 0.44 0.09 -2.12 0.00 0.00 175.29 173.60 3k90 n ASN 70 N 4.13 -0.99 -2.52 5.90 3.02 -1.26 -5.21 115.26 118.33 3k90 n ASN 70 Ca -0.17 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 3k90 n ASN 70 Cb 0.56 -2.91 0.00 0.00 -0.61 0.00 0.00 39.78 36.82 3k90 n ASN 70 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3k90 n PHE 71 N -4.42 -0.32 -3.77 3.10 -0.00 -1.26 -5.24 117.46 105.56 3k90 n PHE 71 Ca -0.28 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 56.97 3k90 n PHE 71 Cb 0.67 0.00 -0.17 0.00 -0.00 0.00 0.00 39.48 39.98 3k90 n PHE 71 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.76 178.17 3k90 s MET 73 N 0.00 0.23 0.01 -4.13 1.75 -1.26 -5.19 119.30 110.71 3k90 s MET 73 Ca 0.00 0.22 -0.10 0.00 -1.25 0.00 0.00 55.69 54.55 3k90 s MET 73 Cb 0.00 -0.64 0.01 0.00 2.84 0.00 0.00 34.83 37.04 3k90 s MET 73 CO 0.00 -0.27 0.21 1.03 -0.65 0.00 0.00 175.02 175.34 3k90 s ARG 74 N 1.79 0.60 0.11 4.11 3.00 -1.26 -5.09 118.95 122.20 3k90 s ARG 74 Ca 0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 55.73 55.01 3k90 s ARG 74 Cb -0.12 0.25 -0.13 0.00 0.00 0.00 0.00 34.95 34.95 3k90 s ARG 74 CO -0.03 -0.16 1.69 0.28 0.00 0.00 0.00 175.30 177.07 3k90 n VAL 75 N 1.20 0.17 0.00 3.52 0.31 -1.26 -1.43 118.33 120.84 3k90 n VAL 75 Ca -0.21 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3k90 n VAL 75 Cb 0.56 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 3k90 n VAL 75 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k90 n GLY 76 N 3.77 2.10 3.62 2.92 0.00 0.68 -5.03 105.19 113.26 3k90 n GLY 76 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3k90 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k90 s THR 78 N -1.47 2.45 0.09 0.00 -4.23 -1.26 -1.00 115.64 110.23 3k90 s THR 78 Ca 0.74 -2.09 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 3k90 s THR 78 Cb -0.43 -2.21 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 3k90 s THR 78 CO 0.49 -0.18 -0.13 0.00 -0.54 0.00 0.00 174.62 174.25 3k90 s ARG 79 N -2.88 0.88 -0.24 3.99 1.70 0.08 -4.69 118.95 117.79 3k90 s ARG 79 Ca 0.23 -1.07 -0.07 0.00 -0.47 0.00 0.00 55.73 54.35 3k90 s ARG 79 Cb -0.07 -0.78 -0.03 0.00 -0.57 0.00 0.00 34.95 33.50 3k90 s ARG 79 CO 0.11 0.16 0.05 -0.51 -1.08 0.00 0.00 175.30 174.03 3k90 s ASP 80 N -2.08 5.04 -0.25 -2.89 1.11 -0.05 -1.26 116.67 116.29 3k90 s ASP 80 Ca 0.02 -0.21 -0.05 0.00 0.18 0.00 0.00 52.55 52.49 3k90 s ASP 80 Cb -0.07 -1.90 0.00 0.00 1.07 0.00 0.00 42.92 42.02 3k90 s ASP 80 CO 0.02 -0.02 0.00 -0.69 1.18 0.00 0.00 175.17 175.67 3k90 s VAL 81 N 1.49 3.55 -0.35 -1.27 1.01 -0.52 -1.42 120.40 122.88 3k90 s VAL 81 Ca 0.06 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 3k90 s VAL 81 Cb -0.15 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3k90 s VAL 81 CO 0.03 0.26 0.63 -0.63 0.00 0.00 0.00 175.10 175.39 3k90 s ILE 82 N 1.47 4.89 0.12 2.22 1.01 -0.66 -1.42 121.20 128.83 3k90 s ILE 82 Ca 0.04 0.59 0.06 0.00 0.00 0.00 0.00 60.65 61.33 3k90 s ILE 82 Cb -0.16 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3k90 s ILE 82 CO -0.01 -0.31 -0.00 0.68 0.00 0.00 0.00 174.94 175.30 3k90 s VAL 83 N 2.70 3.92 -0.28 2.92 -7.23 0.58 -0.71 120.40 122.30 3k90 s VAL 83 Ca 0.24 -1.12 0.09 0.00 -1.81 0.00 0.00 61.98 59.38 3k90 s VAL 83 Cb -0.14 -2.90 0.46 0.00 0.56 0.00 0.00 36.38 34.36 3k90 s VAL 83 CO 0.15 0.05 1.35 2.30 -0.31 0.00 0.00 175.10 178.64 3k90 n ILE 84 N 0.37 2.47 0.63 -0.62 -6.64 0.14 -2.08 119.36 113.62 3k90 n ILE 84 Ca -0.11 -3.22 0.12 0.00 -1.77 0.00 0.00 62.75 57.77 3k90 n ILE 84 Cb 0.53 -0.48 0.22 0.00 -1.44 0.00 0.00 39.64 38.47 3k90 n ILE 84 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 3k90 n SER 85 N -1.04 0.68 -4.67 7.28 3.41 -1.26 -4.69 113.62 113.34 3k90 n SER 85 Ca 0.31 0.16 -0.35 0.00 -0.26 0.00 0.00 58.87 58.74 3k90 n SER 85 Cb 0.88 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.76 3k90 n SER 85 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3k90 s GLY 86 N -3.57 1.86 0.04 5.00 0.00 -1.26 -5.05 107.32 104.34 3k90 s GLY 86 Ca 0.07 -0.79 0.10 0.00 0.00 0.00 0.00 44.72 44.10 3k90 s GLY 86 CO 0.70 -0.44 0.97 -2.00 0.00 0.00 0.00 173.10 172.32 3k90 h LEU 87 N 5.46 0.00 -7.99 0.66 5.85 -1.92 -3.18 115.31 114.19 3k90 h LEU 87 Ca -0.48 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 57.67 3k90 h LEU 87 Cb 1.19 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 3k90 h LEU 87 CO 0.57 0.99 1.70 -2.84 -0.34 0.00 0.00 178.44 178.52 3k90 s PRO 88 N -2.66 3.54 0.04 5.25 0.02 -1.26 -4.95 135.00 134.99 3k90 s PRO 88 Ca -0.02 -1.45 -0.19 0.00 0.02 0.00 0.00 61.00 59.35 3k90 s PRO 88 Cb 0.09 -5.40 -0.10 0.00 0.02 0.00 0.00 34.50 29.11 3k90 s PRO 88 CO 0.82 -2.56 0.47 0.00 -0.33 0.00 0.00 177.00 175.40 3k90 n ALA 89 N 9.80 -2.14 -2.67 -1.55 0.00 -1.20 -4.94 120.51 117.81 3k90 n ALA 89 Ca 0.42 0.29 -0.28 0.00 0.00 0.00 0.00 53.44 53.87 3k90 n ALA 89 Cb 0.48 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 3k90 n ALA 89 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k90 s ASN 90 N -0.21 4.89 -0.01 0.00 0.01 -0.89 -4.93 114.94 113.81 3k90 s ASN 90 Ca 0.44 -0.28 0.03 0.00 -0.71 0.00 0.00 52.86 52.33 3k90 s ASN 90 Cb -0.62 -1.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.90 3k90 s ASN 90 CO 0.31 0.13 -0.06 -0.89 -1.51 0.00 0.00 177.10 175.08 3k90 s THR 91 N -1.49 3.68 -0.04 1.60 2.01 -1.26 -0.31 115.64 119.82 3k90 s THR 91 Ca 0.26 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.59 3k90 s THR 91 Cb -0.11 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.82 3k90 s THR 91 CO 0.18 0.43 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.85 3k90 s SER 92 N -1.30 1.93 -0.22 3.53 0.15 -0.50 -2.62 113.70 114.66 3k90 s SER 92 Ca 0.16 -0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.42 3k90 s SER 92 Cb -0.11 -0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 63.58 3k90 s SER 92 CO 0.06 0.12 0.07 -0.89 1.20 0.00 0.00 173.24 173.80 3k90 s THR 93 N 0.16 4.54 -0.01 6.45 2.01 -0.40 -1.45 115.64 126.94 3k90 s THR 93 Ca -0.05 -0.11 0.06 0.00 0.31 0.00 0.00 61.69 61.90 3k90 s THR 93 Cb -0.12 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 3k90 s THR 93 CO 0.02 0.39 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.55 3k90 s GLU 94 N 1.03 1.45 -0.09 4.92 2.02 -0.39 -0.01 118.70 127.62 3k90 s GLU 94 Ca 0.04 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.36 3k90 s GLU 94 Cb -0.14 -1.42 -0.02 0.00 0.10 0.00 0.00 34.13 32.65 3k90 s GLU 94 CO 0.03 0.39 -0.12 0.50 0.02 0.00 0.00 175.26 176.07 3k90 s ARG 95 N -0.54 2.93 -0.35 1.61 3.52 -0.18 -0.74 118.95 125.20 3k90 s ARG 95 Ca 0.07 -0.66 -0.29 0.00 -0.13 0.00 0.00 55.73 54.72 3k90 s ARG 95 Cb -0.07 -2.53 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 3k90 s ARG 95 CO -0.00 0.45 1.66 -1.17 -0.81 0.00 0.00 175.30 175.43 3k90 s LEU 96 N -0.28 3.54 -0.05 -0.88 0.20 -0.17 -1.30 118.68 119.75 3k90 s LEU 96 Ca 0.02 1.16 -0.04 0.00 0.69 0.00 0.00 54.13 55.96 3k90 s LEU 96 Cb -0.13 -3.53 -0.27 0.00 -0.43 0.00 0.00 46.19 41.83 3k90 s LEU 96 CO 0.03 -1.60 0.63 0.44 -0.29 0.00 0.00 176.35 175.56 3k90 h ASP 97 N 12.06 0.41 -3.71 3.68 3.32 -1.45 0.19 116.42 130.92 3k90 h ASP 97 Ca -0.32 -0.71 -0.22 0.00 0.02 0.00 0.00 57.03 55.80 3k90 h ASP 97 Cb 1.15 -0.13 -0.28 0.00 0.22 0.00 0.00 39.33 40.28 3k90 h ASP 97 CO 1.05 1.62 -0.62 -0.63 -1.72 0.00 0.00 179.24 178.93 3k90 s ILE 98 N -2.59 -0.01 -0.28 0.35 1.01 -1.13 -4.82 121.20 113.74 3k90 s ILE 98 Ca -0.15 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.55 3k90 s ILE 98 Cb 0.06 -0.14 0.16 0.00 0.01 0.00 0.00 42.46 42.55 3k90 s ILE 98 CO 0.82 0.01 0.42 -0.22 0.00 0.00 0.00 174.94 175.98 3k90 s LEU 99 N 0.24 -0.83 -0.31 2.97 2.96 -1.25 -2.30 118.68 120.17 3k90 s LEU 99 Ca -0.02 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3k90 s LEU 99 Cb -0.03 1.22 0.09 0.00 0.50 0.00 0.00 46.19 47.98 3k90 s LEU 99 CO -0.01 -0.33 0.02 -0.62 -1.32 0.00 0.00 176.35 174.09 3k90 s ASP 100 N 2.58 4.40 0.37 3.68 -1.08 0.44 -4.97 116.67 122.09 3k90 s ASP 100 Ca 0.11 -1.78 0.18 0.00 -0.52 0.00 0.00 52.55 50.54 3k90 s ASP 100 Cb -0.13 -1.37 0.69 0.00 -1.46 0.00 0.00 42.92 40.65 3k90 s ASP 100 CO -0.26 -0.34 1.75 0.44 0.52 0.00 0.00 175.17 177.28 3k90 h ASP 101 N 7.80 0.00 0.57 -0.34 3.32 -1.97 0.33 116.42 126.13 3k90 h ASP 101 Ca -0.10 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.72 3k90 h ASP 101 Cb 1.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 3k90 h ASP 101 CO 0.48 0.38 -1.01 -0.33 -1.72 0.00 0.00 179.24 177.05 3k90 h GLU 102 N 0.00 0.25 -0.02 3.56 4.39 -1.97 -3.31 114.58 117.48 3k90 h GLU 102 Ca -0.00 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3k90 h GLU 102 Cb 0.87 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 3k90 h GLU 102 CO 0.05 1.07 -0.09 0.54 -1.16 0.00 0.00 179.01 179.42 3k90 n ARG 103 N -3.62 1.55 -3.20 2.33 1.74 -1.17 -5.02 116.66 109.27 3k90 n ARG 103 Ca -0.05 -1.39 -0.15 0.00 -0.77 0.00 0.00 57.85 55.49 3k90 n ARG 103 Cb 0.89 -1.34 0.07 0.00 -1.02 0.00 0.00 32.46 31.06 3k90 n ARG 103 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k90 n ARG 104 N 0.73 -2.48 -4.45 5.56 1.74 0.11 -4.72 116.66 113.15 3k90 n ARG 104 Ca 0.10 0.83 -0.24 0.00 -0.77 0.00 0.00 57.85 57.77 3k90 n ARG 104 Cb 0.43 -5.68 -0.17 0.00 -1.02 0.00 0.00 32.46 26.03 3k90 n ARG 104 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k90 s VAL 105 N -3.37 1.02 0.07 1.55 1.01 -0.91 -1.94 120.40 117.84 3k90 s VAL 105 Ca 0.41 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3k90 s VAL 105 Cb -0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 3k90 s VAL 105 CO 0.71 0.33 -0.05 0.28 0.00 0.00 0.00 175.10 176.38 3k90 s THR 106 N 0.80 0.46 0.14 3.92 -1.32 -0.58 -0.42 115.64 118.64 3k90 s THR 106 Ca -0.12 -1.84 -0.25 0.00 -1.21 0.00 0.00 61.69 58.27 3k90 s THR 106 Cb -0.15 -1.55 0.07 0.00 -1.51 0.00 0.00 72.50 69.35 3k90 s THR 106 CO 0.02 -0.91 0.80 -0.83 -2.21 0.00 0.00 174.62 171.49 3k90 s GLY 107 N -2.92 -0.37 0.10 6.08 0.00 -0.97 0.10 107.32 109.35 3k90 s GLY 107 Ca 0.09 0.38 -0.09 0.00 0.00 0.00 0.00 44.72 45.09 3k90 s GLY 107 CO -0.07 0.12 0.21 -0.11 0.00 0.00 0.00 173.10 173.24 3k90 s PHE 108 N -3.48 0.20 0.09 1.90 -0.12 -0.70 -1.11 117.98 114.75 3k90 s PHE 108 Ca 0.07 -0.62 0.09 0.00 -0.05 0.00 0.00 56.93 56.42 3k90 s PHE 108 Cb -0.02 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.27 3k90 s PHE 108 CO -0.04 -0.57 -0.23 -1.12 -0.05 0.00 0.00 175.22 173.21 3k90 s SER 109 N -2.88 2.78 -0.29 1.98 0.01 -0.42 -1.25 113.70 113.64 3k90 s SER 109 Ca 0.07 -0.66 -0.24 0.00 1.31 0.00 0.00 55.95 56.43 3k90 s SER 109 Cb 0.05 -0.19 -0.00 0.00 0.21 0.00 0.00 66.02 66.09 3k90 s SER 109 CO -0.09 0.13 0.82 -0.63 0.41 0.00 0.00 173.24 173.87 3k90 s ILE 110 N -1.03 4.79 -0.40 1.44 1.01 -0.47 -1.01 121.20 125.53 3k90 s ILE 110 Ca 0.09 1.33 0.09 0.00 0.00 0.00 0.00 60.65 62.16 3k90 s ILE 110 Cb -0.10 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.12 3k90 s ILE 110 CO 0.04 -0.21 0.36 2.30 0.00 0.00 0.00 174.94 177.43 3k90 n ILE 111 N 5.47 0.00 -3.80 2.92 -5.35 0.98 -4.47 119.36 115.11 3k90 n ILE 111 Ca 0.05 -0.29 -0.05 0.00 -0.27 0.00 0.00 62.75 62.19 3k90 n ILE 111 Cb 0.48 0.97 -0.01 0.00 -1.74 0.00 0.00 39.64 39.34 3k90 n ILE 111 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3k90 s GLY 112 N -1.87 -0.11 0.00 3.28 0.00 -0.92 -4.98 107.32 102.72 3k90 s GLY 112 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.64 3k90 s GLY 112 CO 0.36 0.16 0.00 0.61 0.00 0.00 0.00 173.10 174.23 3k90 n GLY 113 N -0.49 -1.66 0.36 0.20 0.00 -1.26 -1.28 105.19 101.06 3k90 n GLY 113 Ca -0.05 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3k90 n GLY 113 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k90 h GLU 114 N 0.00 1.06 -0.90 1.61 4.39 -1.91 -1.95 114.58 116.88 3k90 h GLU 114 Ca 0.00 -0.06 -0.37 0.00 0.34 0.00 0.00 59.36 59.26 3k90 h GLU 114 Cb 0.00 -0.24 -0.22 0.00 -0.10 0.00 0.00 28.75 28.19 3k90 h GLU 114 CO 0.00 0.70 0.47 0.72 -1.16 0.00 0.00 179.01 179.74 3k90 n HIS 115 N -4.42 2.68 -0.08 4.33 8.25 -1.26 -4.65 115.22 120.08 3k90 n HIS 115 Ca 0.09 -1.51 -0.07 0.00 -0.26 0.00 0.00 57.72 55.97 3k90 n HIS 115 Cb 0.03 -0.81 -0.01 0.00 1.12 0.00 0.00 29.99 30.33 3k90 n HIS 115 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3k90 h ARG 116 N 1.64 0.00 0.00 -0.41 9.65 -1.57 -2.40 114.38 121.30 3k90 h ARG 116 Ca 0.46 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.34 3k90 h ARG 116 Cb 2.57 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 31.14 3k90 h ARG 116 CO 0.91 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.96 3k90 n LEU 117 N -5.24 0.00 0.24 3.80 4.77 -1.26 -2.35 117.00 116.96 3k90 n LEU 117 Ca -0.00 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 3k90 n LEU 117 Cb 0.17 -0.42 0.48 0.00 -2.33 0.00 0.00 43.42 41.32 3k90 n LEU 117 CO 0.20 -0.29 0.86 0.71 -1.33 0.00 0.00 177.39 177.55 3k90 h THR 118 N 0.00 0.28 -6.92 -5.08 1.35 -1.79 -3.45 112.91 97.30 3k90 h THR 118 Ca 0.00 -0.93 -0.58 0.00 -0.55 0.00 0.00 66.41 64.35 3k90 h THR 118 Cb 0.14 1.73 -0.26 0.00 -1.73 0.00 0.00 68.15 68.03 3k90 h THR 118 CO 0.00 0.12 -0.88 0.59 -0.25 0.00 0.00 175.52 175.10 3k90 n ASN 119 N -3.23 -2.22 -4.72 5.36 5.03 -0.99 -0.39 115.26 114.10 3k90 n ASN 119 Ca 0.01 -1.12 -0.42 0.00 0.87 0.00 0.00 54.58 53.92 3k90 n ASN 119 Cb 0.41 -2.27 -0.03 0.00 -1.02 0.00 0.00 39.78 36.87 3k90 n ASN 119 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3k90 s TYR 120 N -3.42 3.03 -0.03 3.10 6.14 -1.26 -4.51 117.35 120.40 3k90 s TYR 120 Ca 0.66 0.61 -0.02 0.00 0.64 0.00 0.00 57.07 58.96 3k90 s TYR 120 Cb -0.37 -3.96 0.02 0.00 0.42 0.00 0.00 41.96 38.07 3k90 s TYR 120 CO 0.97 -3.52 0.08 0.21 0.64 0.00 0.00 175.55 173.92 3k90 s LYS 121 N 1.00 0.05 0.04 4.97 2.20 -0.45 -1.36 119.74 126.19 3k90 s LYS 121 Ca 0.70 0.19 0.03 0.00 -0.36 0.00 0.00 55.97 56.52 3k90 s LYS 121 Cb -0.45 -0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 35.76 3k90 s LYS 121 CO 0.33 -0.09 -0.09 0.45 -0.36 0.00 0.00 175.35 175.59 3k90 s SER 122 N 0.58 0.99 -0.01 1.43 0.15 -0.38 -0.59 113.70 115.88 3k90 s SER 122 Ca -0.05 -0.52 0.02 0.00 0.70 0.00 0.00 55.95 56.10 3k90 s SER 122 Cb -0.06 0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.25 3k90 s SER 122 CO -0.02 -0.16 -0.06 -0.69 1.20 0.00 0.00 173.24 173.51 3k90 s VAL 123 N -1.25 0.51 -0.07 4.45 1.01 -0.69 -1.72 120.40 122.63 3k90 s VAL 123 Ca -0.07 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.69 3k90 s VAL 123 Cb -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.84 3k90 s VAL 123 CO 0.01 0.15 -0.19 -0.89 0.00 0.00 0.00 175.10 174.18 3k90 s THR 124 N -0.03 1.60 0.10 3.92 2.01 0.12 -1.51 115.64 121.86 3k90 s THR 124 Ca 0.01 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.30 3k90 s THR 124 Cb -0.04 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3k90 s THR 124 CO -0.00 0.46 -0.18 0.42 -0.69 0.00 0.00 174.62 174.63 3k90 s THR 125 N 0.26 1.49 -0.04 -0.82 -4.23 0.09 -1.52 115.64 110.87 3k90 s THR 125 Ca -0.11 -1.54 0.06 0.00 -1.18 0.00 0.00 61.69 58.92 3k90 s THR 125 Cb -0.15 -1.44 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 3k90 s THR 125 CO 0.05 -0.19 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.02 3k90 s VAL 126 N -1.44 1.79 -0.02 2.29 1.01 -0.82 -1.56 120.40 121.65 3k90 s VAL 126 Ca 0.05 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3k90 s VAL 126 Cb -0.09 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.79 3k90 s VAL 126 CO 0.04 0.50 -0.05 -1.00 0.00 0.00 0.00 175.10 174.60 3k90 s HIS 127 N -0.26 0.59 -0.12 5.22 3.76 -0.43 -4.80 115.29 119.25 3k90 s HIS 127 Ca 0.01 -0.13 -0.17 0.00 -0.15 0.00 0.00 55.06 54.63 3k90 s HIS 127 Cb -0.11 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 3k90 s HIS 127 CO 0.01 -0.10 0.42 0.50 -0.85 0.00 0.00 174.74 174.73 3k90 s ARG 128 N 0.43 4.28 0.05 1.40 3.52 -1.26 -1.35 118.95 126.02 3k90 s ARG 128 Ca -0.05 0.36 0.08 0.00 -0.13 0.00 0.00 55.73 55.99 3k90 s ARG 128 Cb -0.09 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 3k90 s ARG 128 CO -0.00 0.23 -0.24 -0.06 -0.81 0.00 0.00 175.30 174.42 3k90 s PHE 129 N 0.43 2.09 -0.07 5.12 0.08 0.13 -4.97 117.98 120.78 3k90 s PHE 129 Ca 0.23 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.86 3k90 s PHE 129 Cb -0.15 -1.24 0.04 0.00 -0.57 0.00 0.00 43.02 41.10 3k90 s PHE 129 CO 0.09 0.12 0.14 -2.00 -0.10 0.00 0.00 175.22 173.47 3k90 s GLU 130 N -1.26 0.06 -0.06 0.44 2.12 -1.26 -1.27 118.70 117.48 3k90 s GLU 130 Ca 0.10 0.42 -0.02 0.00 0.36 0.00 0.00 54.97 55.83 3k90 s GLU 130 Cb -0.09 -0.22 0.04 0.00 0.26 0.00 0.00 34.13 34.11 3k90 s GLU 130 CO 0.02 -0.21 0.10 0.15 -0.54 0.00 0.00 175.26 174.77 3k90 s LYS 131 N 1.55 -0.04 -1.07 4.30 -0.14 -0.27 -4.96 119.74 119.11 3k90 s LYS 131 Ca -0.05 0.44 -0.19 0.00 -1.36 0.00 0.00 55.97 54.81 3k90 s LYS 131 Cb -0.12 -0.41 0.01 0.00 -1.68 0.00 0.00 37.83 35.63 3k90 s LYS 131 CO -0.06 -0.31 0.73 -0.85 -0.76 0.00 0.00 175.35 174.10 3k90 n GLU 132 N 5.25 -1.04 -0.65 1.68 0.00 -1.26 -1.28 120.64 123.34 3k90 n GLU 132 Ca -0.05 0.51 0.00 0.00 0.00 0.00 0.00 57.16 57.62 3k90 n GLU 132 Cb 0.50 -3.56 0.00 0.00 0.00 0.00 0.00 31.44 28.38 3k90 n GLU 132 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3k90 n ASN 133 N -2.46 -0.03 -4.72 -1.84 3.02 -1.26 -4.97 115.26 102.99 3k90 n ASN 133 Ca -0.13 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.07 3k90 n ASN 133 Cb 0.59 -1.79 -0.08 0.00 -0.61 0.00 0.00 39.78 37.90 3k90 n ASN 133 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3k90 s ARG 134 N -0.72 4.19 -0.10 3.52 0.52 -0.41 -5.09 118.95 120.87 3k90 s ARG 134 Ca 0.00 -0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.05 3k90 s ARG 134 Cb 0.00 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 3k90 s ARG 134 CO 0.00 0.27 -0.16 -1.50 0.02 0.00 0.00 175.30 173.93 3k90 s ILE 135 N 0.44 2.83 0.35 1.52 2.07 -1.26 -1.11 121.20 126.03 3k90 s ILE 135 Ca 0.09 -0.76 0.01 0.00 -1.41 0.00 0.00 60.65 58.58 3k90 s ILE 135 Cb -0.11 -2.14 -0.01 0.00 0.13 0.00 0.00 42.46 40.32 3k90 s ILE 135 CO -0.01 0.55 0.42 -1.66 -1.91 0.00 0.00 174.94 172.34 3k90 s TRP 136 N 0.04 1.31 0.02 3.50 -2.14 -0.39 -4.55 118.94 116.73 3k90 s TRP 136 Ca -0.06 -1.43 0.06 0.00 2.66 0.00 0.00 56.10 57.33 3k90 s TRP 136 Cb -0.15 -0.28 -0.02 0.00 -3.10 0.00 0.00 33.47 29.93 3k90 s TRP 136 CO 0.05 -1.08 -0.18 0.99 -2.66 0.00 0.00 176.95 174.06 3k90 s THR 137 N -3.09 1.47 -0.11 0.66 2.01 -0.31 -0.69 115.64 115.58 3k90 s THR 137 Ca 0.34 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.38 3k90 s THR 137 Cb 0.00 -1.26 -0.00 0.00 0.01 0.00 0.00 72.50 71.25 3k90 s THR 137 CO 0.23 0.25 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.51 3k90 s VAL 138 N -0.66 2.26 -0.15 3.82 1.01 -0.45 0.12 120.40 126.35 3k90 s VAL 138 Ca 0.06 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 3k90 s VAL 138 Cb -0.08 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3k90 s VAL 138 CO 0.01 0.55 0.16 -0.69 0.00 0.00 0.00 175.10 175.12 3k90 s VAL 139 N 0.41 5.44 -0.10 2.92 1.01 0.17 -1.31 120.40 128.95 3k90 s VAL 139 Ca -0.16 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3k90 s VAL 139 Cb -0.17 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3k90 s VAL 139 CO 0.07 0.54 -0.14 -0.76 0.00 0.00 0.00 175.10 174.80 3k90 s LEU 140 N -0.41 2.67 -0.05 3.92 1.43 -0.60 -0.80 118.68 124.84 3k90 s LEU 140 Ca 0.13 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3k90 s LEU 140 Cb -0.12 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.56 3k90 s LEU 140 CO 0.02 0.24 -0.01 -0.70 0.23 0.00 0.00 176.35 176.12 3k90 s GLU 141 N -0.08 0.61 0.22 1.70 2.12 -0.36 -0.73 118.70 122.17 3k90 s GLU 141 Ca -0.02 0.03 0.09 0.00 0.36 0.00 0.00 54.97 55.43 3k90 s GLU 141 Cb -0.14 -0.82 -0.05 0.00 0.26 0.00 0.00 34.13 33.39 3k90 s GLU 141 CO 0.04 -0.19 -0.17 -1.54 -0.54 0.00 0.00 175.26 172.86 3k90 s SER 142 N 1.41 2.90 0.14 -1.70 1.04 -0.57 0.05 113.70 116.98 3k90 s SER 142 Ca -0.04 -1.01 -0.07 0.00 0.48 0.00 0.00 55.95 55.31 3k90 s SER 142 Cb -0.13 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 3k90 s SER 142 CO -0.03 -0.09 0.22 -0.72 0.98 0.00 0.00 173.24 173.60 3k90 s TYR 143 N -2.74 0.42 -0.02 5.02 -0.85 -0.55 -1.71 117.35 116.91 3k90 s TYR 143 Ca 0.24 -0.80 0.05 0.00 -0.52 0.00 0.00 57.07 56.04 3k90 s TYR 143 Cb -0.03 -0.13 -0.01 0.00 0.38 0.00 0.00 41.96 42.17 3k90 s TYR 143 CO 0.09 -0.64 -0.17 0.54 -1.52 0.00 0.00 175.55 173.85 3k90 s VAL 144 N -3.95 1.37 0.00 -3.49 0.11 0.24 -1.89 120.40 112.79 3k90 s VAL 144 Ca 0.15 -0.73 -0.07 0.00 -2.93 0.00 0.00 61.98 58.41 3k90 s VAL 144 Cb 0.04 -1.15 -0.00 0.00 -1.53 0.00 0.00 36.38 33.74 3k90 s VAL 144 CO -0.03 0.39 0.12 0.68 -3.33 0.00 0.00 175.10 172.94 3k90 s VAL 145 N -0.27 0.08 0.51 2.04 -7.23 -0.43 -1.34 120.40 113.75 3k90 s VAL 145 Ca 0.04 -0.69 -0.21 0.00 -1.81 0.00 0.00 61.98 59.31 3k90 s VAL 145 Cb -0.08 -0.41 -0.06 0.00 0.56 0.00 0.00 36.38 36.39 3k90 s VAL 145 CO 0.00 -0.38 1.17 -1.81 -0.31 0.00 0.00 175.10 173.78 3k90 s ASP 146 N -1.34 5.85 0.49 4.85 -0.00 0.47 -1.37 116.67 125.62 3k90 s ASP 146 Ca -0.14 2.31 -0.04 0.00 -0.00 0.00 0.00 52.55 54.67 3k90 s ASP 146 Cb -0.08 -2.60 -0.03 0.00 -0.00 0.00 0.00 42.92 40.22 3k90 s ASP 146 CO 0.01 -1.14 0.78 -0.04 -0.00 0.00 0.00 175.17 174.78 3k90 s MET 147 N -2.97 3.40 0.04 8.23 -1.94 0.99 -4.82 119.30 122.23 3k90 s MET 147 Ca 0.69 0.07 -0.26 0.00 -1.71 0.00 0.00 55.69 54.48 3k90 s MET 147 Cb -0.28 -2.40 -0.05 0.00 2.01 0.00 0.00 34.83 34.11 3k90 s MET 147 CO 0.33 -0.26 0.80 -2.14 -0.01 0.00 0.00 175.02 173.74 3k90 s PRO 148 N -4.73 4.53 -0.31 2.03 0.02 -1.26 -4.94 135.00 130.33 3k90 s PRO 148 Ca 0.48 1.13 0.03 0.00 0.02 0.00 0.00 61.00 62.67 3k90 s PRO 148 Cb -0.10 -3.38 0.09 0.00 0.02 0.00 0.00 34.50 31.13 3k90 s PRO 148 CO 0.44 0.24 -0.00 -2.00 -0.33 0.00 0.00 177.00 175.34 3k90 s GLU 149 N 0.07 1.78 0.00 5.54 2.12 -1.26 -4.99 118.70 121.96 3k90 s GLU 149 Ca 0.41 -1.68 0.00 0.00 0.36 0.00 0.00 54.97 54.06 3k90 s GLU 149 Cb -0.21 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.08 3k90 s GLU 149 CO 0.24 -0.81 0.00 0.41 -0.54 0.00 0.00 175.26 174.56 3k90 n GLY 150 N 4.33 -2.11 1.71 -1.50 0.00 -1.26 -5.09 105.19 101.27 3k90 n GLY 150 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3k90 n GLY 150 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k90 n GLU 153 N 0.02 0.00 -3.07 1.61 1.02 -1.26 -4.81 120.64 114.15 3k90 n GLU 153 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 3k90 n GLU 153 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 3k90 n GLU 153 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3k90 n ASP 154 N 1.17 -1.43 -4.69 1.62 2.03 -1.26 -5.11 116.55 108.88 3k90 n ASP 154 Ca 0.00 -2.76 -0.40 0.00 0.52 0.00 0.00 54.79 52.15 3k90 n ASP 154 Cb 0.00 0.39 -0.05 0.00 -0.72 0.00 0.00 41.12 40.74 3k90 n ASP 154 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3k90 s ASP 155 N -0.44 6.86 -0.15 1.67 2.15 -1.26 -4.98 116.67 120.53 3k90 s ASP 155 Ca 0.33 1.05 0.16 0.00 0.43 0.00 0.00 52.55 54.51 3k90 s ASP 155 Cb 0.10 -2.40 0.47 0.00 -0.30 0.00 0.00 42.92 40.80 3k90 s ASP 155 CO -0.15 -0.23 1.37 0.35 -0.17 0.00 0.00 175.17 176.33 3k90 n THR 156 N 4.32 2.05 0.03 1.71 -2.24 -1.26 -4.65 114.28 114.24 3k90 n THR 156 Ca -0.00 -1.77 -0.04 0.00 -2.27 0.00 0.00 64.05 59.97 3k90 n THR 156 Cb 0.50 -0.13 0.19 0.00 -2.10 0.00 0.00 70.33 68.79 3k90 n THR 156 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3k90 h ARG 157 N 1.66 0.44 -0.38 -0.78 1.12 -1.96 0.17 114.38 114.65 3k90 h ARG 157 Ca 0.00 -0.19 -0.02 0.00 -1.11 0.00 0.00 59.98 58.67 3k90 h ARG 157 Cb 1.29 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 31.22 3k90 h ARG 157 CO 0.17 0.72 0.17 1.98 -3.11 0.00 0.00 179.97 179.90 3k90 h MET 158 N 0.37 0.55 -0.56 0.20 4.05 -2.00 -1.40 114.93 116.15 3k90 h MET 158 Ca 0.05 -0.09 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 3k90 h MET 158 Cb 0.76 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 3k90 h MET 158 CO 0.06 0.51 0.08 0.35 0.23 0.00 0.00 176.91 178.13 3k90 h PHE 159 N 0.47 1.00 -0.55 1.39 3.57 -1.81 -1.36 116.94 119.65 3k90 h PHE 159 Ca 0.13 -0.14 0.06 0.00 3.53 0.00 0.00 57.97 61.54 3k90 h PHE 159 Cb 0.14 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3k90 h PHE 159 CO -0.01 0.88 0.27 0.00 -2.23 0.00 0.00 178.31 177.22 3k90 h ALA 160 N 0.99 0.71 -0.47 2.41 0.00 -0.55 -1.16 119.26 121.19 3k90 h ALA 160 Ca 0.17 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3k90 h ALA 160 Cb 0.43 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3k90 h ALA 160 CO 0.01 -0.09 0.09 -0.44 0.00 0.00 0.00 179.25 178.82 3k90 h ASP 161 N 0.51 0.74 -0.33 0.00 3.32 -1.09 -2.42 116.42 117.15 3k90 h ASP 161 Ca 0.25 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k90 h ASP 161 Cb 0.18 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3k90 h ASP 161 CO -0.19 0.80 0.22 0.74 -1.72 0.00 0.00 179.24 179.09 3k90 h THR 162 N 0.65 1.09 -0.60 0.35 2.02 -0.89 -2.11 112.91 113.42 3k90 h THR 162 Ca 0.15 -0.15 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 3k90 h THR 162 Cb 0.37 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3k90 h THR 162 CO 0.01 0.08 0.02 0.58 0.37 0.00 0.00 175.52 176.58 3k90 h VAL 163 N 0.45 1.26 -0.08 3.16 2.07 -1.23 -1.08 116.25 120.81 3k90 h VAL 163 Ca 0.12 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 3k90 h VAL 163 Cb -0.05 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3k90 h VAL 163 CO -0.03 0.40 0.05 0.58 0.02 0.00 0.00 177.57 178.59 3k90 h VAL 164 N 0.95 1.05 -0.19 2.57 2.07 -1.28 0.82 116.25 122.23 3k90 h VAL 164 Ca 0.17 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.62 3k90 h VAL 164 Cb 0.52 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3k90 h VAL 164 CO 0.02 0.04 -0.11 0.11 0.02 0.00 0.00 177.57 177.66 3k90 h LYS 165 N 0.07 -0.10 -0.47 1.57 1.57 -1.16 -0.56 116.57 117.50 3k90 h LYS 165 Ca 0.03 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3k90 h LYS 165 Cb 0.03 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3k90 h LYS 165 CO -0.01 -0.06 0.15 -0.07 -0.57 0.00 0.00 179.45 178.89 3k90 h LEU 166 N -0.10 0.68 -0.60 2.94 3.38 -1.07 -1.58 115.31 118.97 3k90 h LEU 166 Ca 0.11 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3k90 h LEU 166 Cb 0.26 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3k90 h LEU 166 CO -0.25 0.70 0.29 0.78 0.09 0.00 0.00 178.44 180.06 3k90 h ASN 167 N 0.62 0.40 -0.23 -0.43 2.35 -0.60 -0.54 115.58 117.14 3k90 h ASN 167 Ca 0.15 0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 3k90 h ASN 167 Cb 0.27 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3k90 h ASN 167 CO -0.00 0.25 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.79 3k90 h LEU 168 N 0.54 0.66 -0.96 1.61 3.38 -0.92 -0.86 115.31 118.76 3k90 h LEU 168 Ca 0.28 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3k90 h LEU 168 Cb 0.24 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3k90 h LEU 168 CO -0.21 0.84 0.30 1.56 0.09 0.00 0.00 178.44 181.01 3k90 h GLN 169 N 0.59 1.05 -0.46 1.13 4.20 -0.74 -1.08 115.11 119.80 3k90 h GLN 169 Ca 0.09 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 3k90 h GLN 169 Cb 0.63 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3k90 h GLN 169 CO 0.04 0.84 -0.17 -0.22 -0.67 0.00 0.00 178.83 178.66 3k90 h LYS 170 N 1.03 0.89 -0.58 1.46 3.64 -0.80 -2.28 116.57 119.93 3k90 h LYS 170 Ca 0.24 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3k90 h LYS 170 Cb 0.17 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3k90 h LYS 170 CO -0.02 0.98 0.35 1.25 -2.27 0.00 0.00 179.45 179.74 3k90 h LEU 171 N 0.78 0.70 -0.32 5.20 5.85 -0.78 0.60 115.31 127.34 3k90 h LEU 171 Ca 0.12 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3k90 h LEU 171 Cb 0.70 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3k90 h LEU 171 CO 0.05 0.55 0.16 0.00 -0.34 0.00 0.00 178.44 178.86 3k90 h ALA 172 N 1.18 0.42 0.18 1.25 0.00 -1.11 -0.80 119.26 120.38 3k90 h ALA 172 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3k90 h ALA 172 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3k90 h ALA 172 CO -0.04 -0.02 -0.17 1.15 0.00 0.00 0.00 179.25 180.16 3k90 h THR 173 N 0.39 0.62 -0.25 0.00 2.02 -1.03 0.58 112.91 115.24 3k90 h THR 173 Ca 0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.31 3k90 h THR 173 Cb 0.11 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3k90 h THR 173 CO -0.01 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.58 3k90 h VAL 174 N -0.38 0.99 -0.56 3.16 2.07 -0.81 -1.45 116.25 119.28 3k90 h VAL 174 Ca 0.00 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 3k90 h VAL 174 Cb 0.36 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3k90 h VAL 174 CO -0.04 0.05 -0.07 0.00 0.02 0.00 0.00 177.57 177.52 3k90 h ALA 175 N 1.12 0.81 -0.18 1.67 0.00 -1.01 -1.69 119.26 119.98 3k90 h ALA 175 Ca 0.10 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 3k90 h ALA 175 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3k90 h ALA 175 CO -0.07 0.67 -0.50 0.93 0.00 0.00 0.00 179.25 180.28 3k90 h GLU 176 N 0.93 0.49 -0.01 0.00 5.08 -0.70 -1.30 114.58 119.06 3k90 h GLU 176 Ca 0.15 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 3k90 h GLU 176 Cb 0.63 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3k90 h GLU 176 CO 0.04 0.88 -0.46 0.00 -1.00 0.00 0.00 179.01 178.48 3k90 h ALA 177 N 1.07 1.23 -0.07 3.43 0.00 -1.18 -3.15 119.26 120.59 3k90 h ALA 177 Ca 0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3k90 h ALA 177 Cb 1.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3k90 h ALA 177 CO 0.09 0.57 -0.10 0.52 0.00 0.00 0.00 179.25 180.34 3k90 h MET 178 N 0.01 0.19 0.00 0.00 2.86 -0.94 -3.51 114.93 113.54 3k90 h MET 178 Ca -0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3k90 h MET 178 Cb 0.81 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3k90 h MET 178 CO 0.06 0.66 0.00 0.00 1.06 0.00 0.00 176.91 178.69