#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k90 h ALA 2 N 0.00 1.63 -0.47 3.04 0.00 -1.96 -2.82 119.26 118.68 3k90 h ALA 2 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3k90 h ALA 2 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3k90 h ALA 2 CO 0.00 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 3k90 n SER 3 N -4.30 3.43 -4.02 0.00 3.41 -1.26 -0.41 113.62 110.47 3k90 n SER 3 Ca -0.02 -1.98 -0.31 0.00 -0.26 0.00 0.00 58.87 56.30 3k90 n SER 3 Cb 0.26 -0.31 -0.16 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.39 2.21 0.44 4.33 2.02 -1.07 -4.43 118.70 120.81 3k90 s GLU 4 Ca 0.41 -0.86 -0.25 0.00 0.02 0.00 0.00 54.97 54.29 3k90 s GLU 4 Cb 0.23 -2.45 -0.08 0.00 0.10 0.00 0.00 34.13 31.93 3k90 s GLU 4 CO 0.31 -0.39 1.36 -0.51 0.02 0.00 0.00 175.26 176.06 3k90 s LEU 5 N 1.36 4.14 0.73 1.80 1.43 -1.26 -4.87 118.68 122.01 3k90 s LEU 5 Ca -0.00 2.78 -0.11 0.00 -1.03 0.00 0.00 54.13 55.76 3k90 s LEU 5 Cb -0.16 -3.95 0.03 0.00 0.03 0.00 0.00 46.19 42.14 3k90 s LEU 5 CO -0.09 -1.05 1.07 0.42 0.23 0.00 0.00 176.35 176.93 3k90 s THR 6 N -1.25 3.77 0.26 5.49 -4.23 -1.26 -4.84 115.64 113.58 3k90 s THR 6 Ca 0.60 0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 61.67 3k90 s THR 6 Cb -0.41 -3.24 0.24 0.00 1.34 0.00 0.00 72.50 70.44 3k90 s THR 6 CO 0.52 -0.75 1.81 -0.65 -0.54 0.00 0.00 174.62 175.00 3k90 h PRO 7 N -0.86 0.79 -0.82 3.99 0.11 -1.99 -0.08 132.00 133.14 3k90 h PRO 7 Ca -0.44 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3k90 h PRO 7 Cb 1.22 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 3k90 h PRO 7 CO 0.55 0.52 0.43 0.93 -0.21 0.00 0.00 178.00 180.22 3k90 h GLU 8 N 0.81 1.16 -0.18 1.05 3.07 -2.00 -1.30 114.58 117.19 3k90 h GLU 8 Ca 0.45 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.36 59.13 3k90 h GLU 8 Cb 0.48 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3k90 h GLU 8 CO -0.28 0.87 -0.02 0.93 -1.40 0.00 0.00 179.01 179.10 3k90 h GLU 9 N 1.16 0.34 0.00 2.33 5.08 -1.66 -2.69 114.58 119.14 3k90 h GLU 9 Ca 0.29 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3k90 h GLU 9 Cb 0.06 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3k90 h GLU 9 CO -0.04 0.58 -0.33 0.07 -1.00 0.00 0.00 179.01 178.29 3k90 h ARG 10 N 0.07 0.00 -0.09 2.33 0.11 -0.89 -1.91 114.38 113.99 3k90 h ARG 10 Ca 0.05 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.11 3k90 h ARG 10 Cb 0.44 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.52 3k90 h ARG 10 CO 0.01 0.33 -0.02 0.77 0.10 0.00 0.00 179.97 181.16 3k90 h SER 11 N 0.00 0.18 0.18 0.08 0.02 -1.25 -2.73 113.55 110.03 3k90 h SER 11 Ca -0.00 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 3k90 h SER 11 Cb 0.78 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 3k90 h SER 11 CO 0.04 0.50 -0.15 -0.08 -1.14 0.00 0.00 176.83 176.01 3k90 h GLU 12 N -0.14 0.00 -0.02 3.45 4.57 -1.30 -3.14 114.58 118.00 3k90 h GLU 12 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3k90 h GLU 12 Cb 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3k90 h GLU 12 CO 0.01 0.15 -0.24 1.28 -1.18 0.00 0.00 179.01 179.03 3k90 n LEU 13 N -4.22 1.93 -0.24 1.64 4.32 -0.73 -4.54 117.00 115.16 3k90 n LEU 13 Ca -0.02 -0.65 0.01 0.00 -0.02 0.00 0.00 56.01 55.32 3k90 n LEU 13 Cb 0.22 -0.03 0.08 0.00 -1.62 0.00 0.00 43.42 42.07 3k90 n LEU 13 CO 0.35 0.34 0.74 0.11 -1.22 0.00 0.00 177.39 177.70 3k90 h LYS 14 N 2.65 0.01 -0.39 3.23 1.57 -1.43 -0.26 116.57 121.95 3k90 h LYS 14 Ca 0.00 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3k90 h LYS 14 Cb 0.71 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3k90 h LYS 14 CO 0.00 0.01 -0.27 -0.91 -0.57 0.00 0.00 179.45 177.71 3k90 h ASN 15 N 0.01 0.92 -0.29 0.86 2.35 -1.85 -0.93 115.58 116.66 3k90 h ASN 15 Ca 0.34 -0.43 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3k90 h ASN 15 Cb 0.52 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3k90 h ASN 15 CO -0.70 1.16 0.15 0.28 -1.65 0.00 0.00 177.43 176.67 3k90 h SER 16 N 0.69 0.24 -0.63 5.81 0.02 -1.74 0.53 113.55 118.47 3k90 h SER 16 Ca 0.08 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3k90 h SER 16 Cb 0.85 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.31 3k90 h SER 16 CO 0.07 0.18 0.40 0.40 -1.14 0.00 0.00 176.83 176.74 3k90 h ILE 17 N 0.32 1.12 -0.46 3.27 2.04 -0.87 0.32 117.51 123.25 3k90 h ILE 17 Ca 0.12 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 3k90 h ILE 17 Cb 0.02 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3k90 h ILE 17 CO -0.07 0.15 -0.02 0.00 0.00 0.00 0.00 178.15 178.21 3k90 h ALA 18 N 1.25 1.11 0.22 1.87 0.00 -0.82 -1.06 119.26 121.84 3k90 h ALA 18 Ca 0.24 -0.27 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 3k90 h ALA 18 Cb -0.04 -0.19 0.04 0.00 0.00 0.00 0.00 17.79 17.60 3k90 h ALA 18 CO -0.08 0.56 -1.43 1.49 0.00 0.00 0.00 179.25 179.80 3k90 h GLU 19 N 0.71 0.54 0.00 0.00 4.81 -0.36 -3.40 114.58 116.89 3k90 h GLU 19 Ca 0.14 -0.89 0.00 0.00 -0.13 0.00 0.00 59.36 58.48 3k90 h GLU 19 Cb 0.46 0.32 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3k90 h GLU 19 CO 0.02 1.42 -1.17 1.19 -0.73 0.00 0.00 179.01 179.74 3k90 n PHE 20 N -3.72 0.00 -1.46 0.92 3.72 0.05 -4.82 117.46 112.16 3k90 n PHE 20 Ca -0.16 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.31 3k90 n PHE 20 Cb 1.08 -0.09 0.12 0.00 -0.94 0.00 0.00 39.48 39.65 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 -1.63 0.00 -4.48 1.38 8.25 -0.45 -4.89 115.22 113.40 3k90 n HIS 21 Ca -0.01 -0.86 -0.33 0.00 -0.26 0.00 0.00 57.72 56.27 3k90 n HIS 21 Cb 0.10 -0.15 -0.16 0.00 1.12 0.00 0.00 29.99 30.90 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 -2.16 2.05 -0.04 1.59 2.01 -0.93 -4.91 115.64 113.24 3k90 s THR 22 Ca 0.27 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.37 3k90 s THR 22 Cb 0.25 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 3k90 s THR 22 CO -0.01 0.54 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.93 3k90 s TYR 23 N 0.98 2.15 -0.55 4.92 2.02 -1.26 -4.99 117.35 120.62 3k90 s TYR 23 Ca -0.03 -0.57 -0.17 0.00 -0.37 0.00 0.00 57.07 55.93 3k90 s TYR 23 Cb -0.15 -1.41 0.11 0.00 -0.40 0.00 0.00 41.96 40.11 3k90 s TYR 23 CO -0.06 -0.15 0.57 1.14 -1.57 0.00 0.00 175.55 175.49 3k90 s GLN 24 N -0.23 3.02 0.23 -0.62 0.00 -1.26 -5.05 119.66 115.76 3k90 s GLN 24 Ca 0.00 -1.44 -0.30 0.00 -0.00 0.00 0.00 55.36 53.62 3k90 s GLN 24 Cb -0.12 -4.25 -0.09 0.00 0.00 0.00 0.00 33.01 28.56 3k90 s GLN 24 CO 0.02 -1.36 1.04 -0.51 0.00 0.00 0.00 175.29 174.48 3k90 s LEU 25 N 2.11 4.56 0.58 2.60 2.01 -1.26 -5.05 118.68 124.23 3k90 s LEU 25 Ca 0.07 2.09 -0.13 0.00 0.01 0.00 0.00 54.13 56.17 3k90 s LEU 25 Cb -0.26 -3.61 -0.05 0.00 0.01 0.00 0.00 46.19 42.27 3k90 s LEU 25 CO 0.06 -0.06 1.01 -1.81 1.01 0.00 0.00 176.35 176.56 3k90 s ASP 26 N -0.73 6.34 0.52 2.29 -0.00 -1.26 -5.03 116.67 118.81 3k90 s ASP 26 Ca 0.45 1.49 -0.22 0.00 -0.00 0.00 0.00 52.55 54.26 3k90 s ASP 26 Cb -0.29 -2.49 -0.06 0.00 -0.00 0.00 0.00 42.92 40.09 3k90 s ASP 26 CO 0.36 -0.79 1.32 -2.65 -0.00 0.00 0.00 175.17 173.41 3k90 n PRO 27 N -2.30 1.72 -0.97 8.23 -0.02 -1.26 -2.66 135.00 137.73 3k90 n PRO 27 Ca 0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3k90 n PRO 27 Cb 0.54 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.79 0.62 3.23 -1.23 0.00 -1.26 -5.04 105.19 102.30 3k90 n GLY 28 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3k90 n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k90 s SER 29 N -2.22 2.20 0.07 1.61 0.01 -1.09 -0.19 113.70 114.10 3k90 s SER 29 Ca 0.00 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.72 3k90 s SER 29 Cb 0.00 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.06 3k90 s SER 29 CO 0.00 0.06 -0.10 0.00 0.41 0.00 0.00 173.24 173.61 3k90 s SER 31 N -2.05 0.92 0.13 0.00 1.04 -1.26 -1.10 113.70 111.39 3k90 s SER 31 Ca -0.01 -1.06 -0.23 0.00 0.48 0.00 0.00 55.95 55.13 3k90 s SER 31 Cb -0.06 0.15 0.07 0.00 0.10 0.00 0.00 66.02 66.27 3k90 s SER 31 CO 0.00 -0.55 0.58 -0.94 0.98 0.00 0.00 173.24 173.32 3k90 s SER 32 N -3.05 -0.53 -0.03 7.02 1.04 -1.09 -5.01 113.70 112.04 3k90 s SER 32 Ca 0.15 0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.67 3k90 s SER 32 Cb 0.06 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 3k90 s SER 32 CO -0.03 -0.92 -0.23 -0.22 0.98 0.00 0.00 173.24 172.82 3k90 s LEU 33 N -2.60 2.03 0.03 2.42 1.98 -1.26 -2.15 118.68 119.13 3k90 s LEU 33 Ca -0.00 -0.44 0.06 0.00 -2.89 0.00 0.00 54.13 50.86 3k90 s LEU 33 Cb -0.01 -1.22 -0.02 0.00 0.66 0.00 0.00 46.19 45.61 3k90 s LEU 33 CO -0.11 0.25 -0.18 -1.00 -1.89 0.00 0.00 176.35 173.43 3k90 s HIS 34 N -0.34 1.58 0.18 5.38 3.76 0.88 -4.99 115.29 121.75 3k90 s HIS 34 Ca 0.03 -0.35 0.11 0.00 -0.15 0.00 0.00 55.06 54.70 3k90 s HIS 34 Cb -0.11 -0.96 -0.04 0.00 1.11 0.00 0.00 32.58 32.58 3k90 s HIS 34 CO 0.01 0.05 -0.21 0.00 -0.85 0.00 0.00 174.74 173.74 3k90 s ALA 35 N -0.72 2.63 -0.21 -1.40 0.00 -1.26 -1.09 121.76 119.71 3k90 s ALA 35 Ca 0.06 -1.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 3k90 s ALA 35 Cb -0.08 -0.45 0.11 0.00 0.00 0.00 0.00 23.12 22.69 3k90 s ALA 35 CO 0.01 0.46 0.35 -1.14 0.00 0.00 0.00 175.76 175.45 3k90 s GLN 36 N -2.61 0.29 0.22 0.00 2.00 -0.01 -4.34 119.66 115.21 3k90 s GLN 36 Ca 0.21 0.67 -0.30 0.00 -2.00 0.00 0.00 55.36 53.94 3k90 s GLN 36 Cb -0.08 -0.26 -0.08 0.00 0.80 0.00 0.00 33.01 33.38 3k90 s GLN 36 CO 0.11 -0.48 1.00 0.50 -0.50 0.00 0.00 175.29 175.92 3k90 s ARG 37 N 2.52 4.75 -0.06 1.67 3.52 0.45 -0.91 118.95 130.89 3k90 s ARG 37 Ca 0.06 1.59 0.00 0.00 -0.13 0.00 0.00 55.73 57.25 3k90 s ARG 37 Cb -0.14 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 3k90 s ARG 37 CO -0.13 0.35 -0.04 0.42 -0.81 0.00 0.00 175.30 175.09 3k90 s ILE 38 N -0.89 0.57 -1.29 4.11 1.01 0.60 -4.93 121.20 120.39 3k90 s ILE 38 Ca 0.44 -0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 3k90 s ILE 38 Cb -0.27 -0.63 0.15 0.00 0.01 0.00 0.00 42.46 41.71 3k90 s ILE 38 CO 0.34 0.26 1.81 1.41 0.00 0.00 0.00 174.94 178.76 3k90 n HIS 39 N 4.45 3.62 -3.44 3.97 8.25 -1.26 -0.26 115.22 130.55 3k90 n HIS 39 Ca -0.18 -2.95 -0.13 0.00 -0.26 0.00 0.00 57.72 54.19 3k90 n HIS 39 Cb 0.51 -2.13 -0.03 0.00 1.12 0.00 0.00 29.99 29.46 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 1.27 -1.63 0.33 -1.41 0.00 -1.26 -4.65 121.76 114.41 3k90 s ALA 40 Ca 0.42 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 3k90 s ALA 40 Cb 0.07 0.75 -0.10 0.00 0.00 0.00 0.00 23.12 23.83 3k90 s ALA 40 CO -0.00 -0.71 1.36 -2.14 0.00 0.00 0.00 175.76 174.27 3k90 s PRO 41 N -3.35 4.29 0.39 0.00 0.02 -1.26 -3.39 135.00 131.70 3k90 s PRO 41 Ca -0.01 2.30 0.08 0.00 0.02 0.00 0.00 61.00 63.39 3k90 s PRO 41 Cb -0.01 -3.06 0.83 0.00 0.02 0.00 0.00 34.50 32.28 3k90 s PRO 41 CO -0.09 -0.29 2.00 -1.00 -0.33 0.00 0.00 177.00 177.28 3k90 h PRO 42 N 3.55 0.61 -0.23 5.54 0.13 -1.90 -1.42 132.00 138.29 3k90 h PRO 42 Ca -0.49 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 3k90 h PRO 42 Cb 1.23 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3k90 h PRO 42 CO 0.67 0.41 -0.03 1.05 -0.23 0.00 0.00 178.00 179.86 3k90 h GLU 43 N 0.63 0.35 -0.14 0.86 9.09 -1.99 0.67 114.58 124.05 3k90 h GLU 43 Ca 0.25 -0.07 -0.09 0.00 0.05 0.00 0.00 59.36 59.50 3k90 h GLU 43 Cb 0.19 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 3k90 h GLU 43 CO -0.07 0.41 -0.26 1.25 0.05 0.00 0.00 179.01 180.38 3k90 h LEU 44 N 0.34 0.47 -0.27 3.06 5.85 -1.65 -2.18 115.31 120.93 3k90 h LEU 44 Ca 0.08 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3k90 h LEU 44 Cb 0.28 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3k90 h LEU 44 CO 0.01 0.93 0.18 0.58 -0.34 0.00 0.00 178.44 179.80 3k90 h VAL 45 N 0.02 1.06 -0.92 1.05 2.07 -1.15 -2.74 116.25 115.64 3k90 h VAL 45 Ca 0.01 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3k90 h VAL 45 Cb 0.85 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3k90 h VAL 45 CO 0.06 0.07 0.53 -0.25 0.02 0.00 0.00 177.57 178.00 3k90 h TRP 46 N 0.36 1.24 -0.16 1.57 2.91 -0.92 -1.66 115.95 119.29 3k90 h TRP 46 Ca 0.10 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.15 3k90 h TRP 46 Cb -0.04 -0.40 -0.01 0.00 -0.51 0.00 0.00 29.16 28.20 3k90 h TRP 46 CO -0.06 0.83 0.14 0.66 -1.03 0.00 0.00 178.44 178.98 3k90 h SER 47 N 1.28 0.00 0.00 2.65 4.64 -1.09 -0.16 113.55 120.87 3k90 h SER 47 Ca 0.33 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.56 3k90 h SER 47 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3k90 h SER 47 CO -0.06 0.00 -0.49 0.40 -0.87 0.00 0.00 176.83 175.81 3k90 h ILE 48 N 0.00 1.44 -0.44 0.95 2.04 -1.22 -3.38 117.51 116.91 3k90 h ILE 48 Ca 0.08 -2.27 0.01 0.00 1.00 0.00 0.00 64.86 63.67 3k90 h ILE 48 Cb 0.36 2.91 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 3k90 h ILE 48 CO -0.00 0.49 0.29 0.58 0.00 0.00 0.00 178.15 179.51 3k90 h VAL 49 N -1.00 1.10 0.00 1.67 2.07 -1.06 -2.69 116.25 116.33 3k90 h VAL 49 Ca -0.14 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3k90 h VAL 49 Cb 1.11 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3k90 h VAL 49 CO -0.08 0.10 -0.01 -2.11 0.02 0.00 0.00 177.57 175.49 3k90 n ARG 50 N -4.47 0.22 -2.30 1.57 1.85 -0.09 -4.59 116.66 108.84 3k90 n ARG 50 Ca 0.04 0.17 -0.34 0.00 -1.00 0.00 0.00 57.85 56.72 3k90 n ARG 50 Cb 0.07 -1.75 -0.04 0.00 -1.05 0.00 0.00 32.46 29.70 3k90 n ARG 50 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3k90 s ARG 51 N -3.08 3.13 0.51 2.89 0.52 -1.02 -4.76 118.95 117.13 3k90 s ARG 51 Ca 0.11 -1.17 0.16 0.00 -0.52 0.00 0.00 55.73 54.31 3k90 s ARG 51 Cb 0.14 -5.30 1.23 0.00 0.52 0.00 0.00 34.95 31.53 3k90 s ARG 51 CO 0.59 -3.02 2.12 0.35 0.02 0.00 0.00 175.30 175.36 3k90 h PHE 52 N 9.55 0.00 -0.00 -0.53 3.57 -1.88 -1.95 116.94 125.70 3k90 h PHE 52 Ca 0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3k90 h PHE 52 Cb 0.95 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.69 3k90 h PHE 52 CO 1.28 0.03 -0.11 -0.40 -2.23 0.00 0.00 178.31 176.88 3k90 n ASP 53 N -4.49 0.15 -3.10 0.41 3.85 -1.26 -4.28 116.55 107.83 3k90 n ASP 53 Ca -0.03 0.17 -0.23 0.00 -0.71 0.00 0.00 54.79 53.99 3k90 n ASP 53 Cb 0.12 -0.28 -0.04 0.00 -1.35 0.00 0.00 41.12 39.56 3k90 n ASP 53 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3k90 n LYS 54 N -1.42 2.11 0.27 0.11 5.02 -0.73 -4.82 118.16 118.70 3k90 n LYS 54 Ca 0.08 -4.16 0.15 0.00 -2.02 0.00 0.00 58.31 52.37 3k90 n LYS 54 Cb 0.32 -1.96 0.73 0.00 -0.02 0.00 0.00 35.03 34.11 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 3.20 0.00 0.00 1.97 0.13 -1.75 -2.78 132.00 132.77 3k90 h PRO 55 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3k90 h PRO 55 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 3k90 h PRO 55 CO 0.67 0.08 -0.01 1.96 -0.23 0.00 0.00 178.00 180.48 3k90 h GLN 56 N 0.00 0.00 0.00 0.86 7.50 -1.91 0.18 115.11 121.74 3k90 h GLN 56 Ca -0.00 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.07 3k90 h GLN 56 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 3k90 h GLN 56 CO 0.01 0.01 -0.37 1.79 -1.50 0.00 0.00 178.83 178.77 3k90 h THR 57 N 0.00 1.15 0.00 -0.54 1.35 -1.90 -3.33 112.91 109.63 3k90 h THR 57 Ca -0.00 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 3k90 h THR 57 Cb 0.14 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3k90 h THR 57 CO 0.00 0.36 0.00 0.00 -0.25 0.00 0.00 175.52 175.63 3k90 n TYR 58 N -3.92 0.00 -4.78 4.73 0.18 -0.90 -4.93 117.16 107.54 3k90 n TYR 58 Ca -0.02 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.43 3k90 n TYR 58 Cb 0.43 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.26 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 -0.06 2.67 0.90 -3.48 1.02 0.00 -3.70 119.74 117.09 3k90 s LYS 59 Ca 0.00 -0.64 -0.12 0.00 0.02 0.00 0.00 55.97 55.23 3k90 s LYS 59 Cb 0.00 -2.48 0.13 0.00 -0.52 0.00 0.00 37.83 34.96 3k90 s LYS 59 CO 0.00 0.60 1.14 -1.01 -0.92 0.00 0.00 175.35 175.16 3k90 s HIS 60 N -0.67 2.54 0.00 3.18 3.76 -1.26 -4.34 115.29 118.50 3k90 s HIS 60 Ca 0.10 0.87 0.00 0.00 -0.15 0.00 0.00 55.06 55.88 3k90 s HIS 60 Cb -0.11 -3.38 0.00 0.00 1.11 0.00 0.00 32.58 30.20 3k90 s HIS 60 CO 0.01 -2.32 0.00 1.19 -0.85 0.00 0.00 174.74 172.77 3k90 n PHE 61 N -3.74 0.00 -3.25 1.40 0.99 -1.26 -4.96 117.46 106.64 3k90 n PHE 61 Ca 0.07 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.11 3k90 n PHE 61 Cb 0.59 -0.48 -0.08 0.00 -1.00 0.00 0.00 39.48 38.51 3k90 n PHE 61 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3k90 s ILE 62 N -2.84 5.04 0.02 4.37 1.01 -1.26 -2.11 121.20 125.42 3k90 s ILE 62 Ca 0.00 0.45 -0.22 0.00 0.00 0.00 0.00 60.65 60.88 3k90 s ILE 62 Cb 0.00 -3.92 -0.17 0.00 0.01 0.00 0.00 42.46 38.38 3k90 s ILE 62 CO 0.00 -0.14 1.29 0.50 0.00 0.00 0.00 174.94 176.60 3k90 h LYS 63 N 8.36 0.28 -2.55 2.79 3.64 0.20 -3.47 116.57 125.82 3k90 h LYS 63 Ca -0.28 -0.16 0.12 0.00 -1.27 0.00 0.00 60.65 59.06 3k90 h LYS 63 Cb 1.13 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.87 3k90 h LYS 63 CO 0.75 0.73 0.40 -1.54 -2.27 0.00 0.00 179.45 177.52 3k90 s SER 64 N -6.09 -0.27 -0.04 4.20 1.04 -1.01 -5.02 113.70 106.52 3k90 s SER 64 Ca -0.15 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 3k90 s SER 64 Cb 0.04 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.72 3k90 s SER 64 CO 0.74 -0.96 0.08 0.00 0.98 0.00 0.00 173.24 174.08 3k90 s SER 66 N 0.61 2.45 0.40 0.00 1.04 -0.95 -4.98 113.70 112.27 3k90 s SER 66 Ca -0.05 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.81 3k90 s SER 66 Cb -0.07 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 3k90 s SER 66 CO -0.02 0.10 0.09 0.68 0.98 0.00 0.00 173.24 175.06 3k90 s VAL 67 N -1.00 0.90 0.70 5.02 -7.23 -1.26 -0.99 120.40 116.54 3k90 s VAL 67 Ca 0.06 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 3k90 s VAL 67 Cb -0.09 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.39 3k90 s VAL 67 CO 0.03 0.00 1.06 -0.62 -0.31 0.00 0.00 175.10 175.26 3k90 n GLU 68 N -0.91 0.63 -1.60 4.82 1.02 -1.26 -5.00 120.64 118.34 3k90 n GLU 68 Ca -0.07 0.27 -0.35 0.00 -0.02 0.00 0.00 57.16 56.99 3k90 n GLU 68 Cb 0.66 -2.30 0.08 0.00 -0.02 0.00 0.00 31.44 29.85 3k90 n GLU 68 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3k90 s GLN 69 N -3.37 2.37 -1.26 3.49 -2.07 -1.26 -3.32 119.66 114.23 3k90 s GLN 69 Ca 0.76 1.83 -0.13 0.00 -1.82 0.00 0.00 55.36 56.00 3k90 s GLN 69 Cb -0.35 -1.85 -0.00 0.00 -1.09 0.00 0.00 33.01 29.71 3k90 s GLN 69 CO 0.48 -1.68 0.62 0.27 -1.32 0.00 0.00 175.29 173.66 3k90 n ASN 70 N -2.36 -2.97 -4.68 12.60 6.94 -1.26 -4.84 115.26 118.69 3k90 n ASN 70 Ca 0.14 -1.04 -0.42 0.00 -0.02 0.00 0.00 54.58 53.24 3k90 n ASN 70 Cb 0.50 -3.09 -0.03 0.00 -2.36 0.00 0.00 39.78 34.79 3k90 n ASN 70 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 3k90 s PHE 71 N -3.69 2.38 -0.18 -2.53 5.36 -1.21 -5.00 117.98 113.12 3k90 s PHE 71 Ca 0.26 0.43 -0.01 0.00 -0.96 0.00 0.00 56.93 56.66 3k90 s PHE 71 Cb -0.10 -3.84 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 3k90 s PHE 71 CO 0.88 -3.39 -0.13 -1.21 -1.46 0.00 0.00 175.22 169.92 3k90 s GLU 72 N 3.15 3.22 -0.61 10.12 2.02 -1.26 -5.08 118.70 130.26 3k90 s GLU 72 Ca 0.70 -0.73 -0.28 0.00 0.02 0.00 0.00 54.97 54.68 3k90 s GLU 72 Cb -0.34 -2.72 0.03 0.00 0.10 0.00 0.00 34.13 31.20 3k90 s GLU 72 CO 0.29 -0.08 1.24 1.41 0.02 0.00 0.00 175.26 178.14 3k90 s MET 73 N 1.07 3.42 0.01 1.61 -2.45 -1.26 -4.93 119.30 116.77 3k90 s MET 73 Ca -0.00 0.18 -0.03 0.00 -1.25 0.00 0.00 55.69 54.59 3k90 s MET 73 Cb -0.15 -4.06 -0.01 0.00 1.25 0.00 0.00 34.83 31.86 3k90 s MET 73 CO -0.03 -1.81 0.04 1.03 1.05 0.00 0.00 175.02 175.30 3k90 s ARG 74 N 5.19 0.34 0.36 4.11 0.52 -1.26 -5.10 118.95 123.11 3k90 s ARG 74 Ca 0.43 -0.45 -0.28 0.00 -0.52 0.00 0.00 55.73 54.91 3k90 s ARG 74 Cb -0.08 0.13 -0.12 0.00 0.52 0.00 0.00 34.95 35.40 3k90 s ARG 74 CO 0.23 -0.07 1.31 1.33 0.02 0.00 0.00 175.30 178.12 3k90 n VAL 75 N 1.73 2.07 0.00 3.52 0.24 -1.26 -1.51 118.33 123.12 3k90 n VAL 75 Ca -0.22 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 3k90 n VAL 75 Cb 0.56 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 3k90 n VAL 75 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k90 n GLY 76 N 0.74 2.27 3.78 7.63 0.00 0.69 -5.00 105.19 115.29 3k90 n GLY 76 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.05 2.66 0.06 0.00 -4.23 -1.26 -1.20 115.64 109.62 3k90 s THR 78 Ca 0.69 -2.27 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 3k90 s THR 78 Cb -0.21 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 3k90 s THR 78 CO 0.32 -0.37 -0.10 0.00 -0.54 0.00 0.00 174.62 173.93 3k90 s ARG 79 N -3.46 0.67 -0.36 3.99 1.70 -0.17 -4.51 118.95 116.82 3k90 s ARG 79 Ca 0.29 -0.89 -0.07 0.00 -0.47 0.00 0.00 55.73 54.60 3k90 s ARG 79 Cb -0.06 -0.50 0.05 0.00 -0.57 0.00 0.00 34.95 33.87 3k90 s ARG 79 CO 0.15 0.10 0.15 -0.51 -1.08 0.00 0.00 175.30 174.11 3k90 s ASP 80 N -1.77 5.39 -0.09 -2.89 1.01 -0.16 -1.06 116.67 117.09 3k90 s ASP 80 Ca -0.05 -1.27 -0.18 0.00 0.71 0.00 0.00 52.55 51.75 3k90 s ASP 80 Cb -0.09 -1.89 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 3k90 s ASP 80 CO 0.01 -0.39 0.49 -0.69 0.21 0.00 0.00 175.17 174.80 3k90 s VAL 81 N 1.39 5.14 -0.22 -1.27 1.01 0.28 -2.24 120.40 124.49 3k90 s VAL 81 Ca 0.00 0.99 -0.06 0.00 0.00 0.00 0.00 61.98 62.92 3k90 s VAL 81 Cb -0.20 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3k90 s VAL 81 CO 0.02 0.36 0.01 -0.63 0.00 0.00 0.00 175.10 174.86 3k90 s ILE 82 N 0.39 3.93 0.35 2.22 -1.09 0.56 -1.17 121.20 126.38 3k90 s ILE 82 Ca 0.27 -0.31 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 3k90 s ILE 82 Cb -0.16 -2.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.91 3k90 s ILE 82 CO 0.12 0.40 0.50 -0.69 -1.23 0.00 0.00 174.94 174.03 3k90 s VAL 83 N 1.32 4.20 0.45 2.92 1.01 -0.66 0.84 120.40 130.47 3k90 s VAL 83 Ca 0.04 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 3k90 s VAL 83 Cb -0.15 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 3k90 s VAL 83 CO 0.01 -0.21 0.81 0.27 0.00 0.00 0.00 175.10 175.98 3k90 s ILE 84 N -2.23 4.78 0.70 2.22 -4.36 -0.90 -4.55 121.20 116.87 3k90 s ILE 84 Ca 0.44 0.61 -0.15 0.00 -0.26 0.00 0.00 60.65 61.30 3k90 s ILE 84 Cb -0.10 -3.77 0.02 0.00 1.25 0.00 0.00 42.46 39.87 3k90 s ILE 84 CO 0.32 -0.65 1.16 -0.44 0.24 0.00 0.00 174.94 175.57 3k90 s SER 85 N -3.42 4.58 0.00 4.36 0.01 -1.26 -4.18 113.70 113.79 3k90 s SER 85 Ca 0.51 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.95 3k90 s SER 85 Cb -0.10 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.56 3k90 s SER 85 CO 0.36 -1.99 0.00 0.61 0.41 0.00 0.00 173.24 172.63 3k90 n GLY 86 N -0.06 0.69 3.74 3.44 0.00 -1.26 -5.11 105.19 106.63 3k90 n GLY 86 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3k90 n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k90 s LEU 87 N 0.00 3.16 0.24 0.99 1.43 -1.26 -5.01 118.68 118.23 3k90 s LEU 87 Ca 0.00 -0.97 0.18 0.00 -1.03 0.00 0.00 54.13 52.31 3k90 s LEU 87 Cb 0.00 -1.55 0.91 0.00 0.03 0.00 0.00 46.19 45.57 3k90 s LEU 87 CO 0.00 -0.46 1.55 -2.65 0.23 0.00 0.00 176.35 175.01 3k90 n PRO 88 N -1.21 0.12 -3.80 1.29 -0.02 -1.26 -4.63 135.00 125.49 3k90 n PRO 88 Ca -0.01 0.56 -0.12 0.00 -2.02 0.00 0.00 63.50 61.90 3k90 n PRO 88 Cb 0.63 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 32.17 3k90 n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k90 s ALA 89 N -3.38 -0.58 -0.56 3.55 0.00 -1.26 -4.27 121.76 115.25 3k90 s ALA 89 Ca -0.00 0.31 0.14 0.00 0.00 0.00 0.00 51.96 52.41 3k90 s ALA 89 Cb 0.06 -0.08 -0.17 0.00 0.00 0.00 0.00 23.12 22.93 3k90 s ALA 89 CO 0.20 -0.20 0.56 0.27 0.00 0.00 0.00 175.76 176.60 3k90 n ASN 90 N 1.90 0.85 -4.05 0.00 0.23 -1.24 -4.81 115.26 108.14 3k90 n ASN 90 Ca -0.19 -0.69 -0.08 0.00 -0.53 0.00 0.00 54.58 53.09 3k90 n ASN 90 Cb 0.57 1.13 -0.10 0.00 -2.08 0.00 0.00 39.78 39.29 3k90 n ASN 90 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3k90 s THR 91 N -2.49 0.19 -0.11 5.53 -4.23 -1.26 -1.66 115.64 111.60 3k90 s THR 91 Ca 0.03 -1.43 -0.06 0.00 -1.18 0.00 0.00 61.69 59.05 3k90 s THR 91 Cb 0.11 -0.99 0.05 0.00 1.34 0.00 0.00 72.50 73.00 3k90 s THR 91 CO 0.60 -0.78 0.27 -0.55 -0.54 0.00 0.00 174.62 173.62 3k90 s SER 92 N -2.30 -0.30 -0.23 3.99 0.15 -0.32 -3.58 113.70 111.11 3k90 s SER 92 Ca -0.03 0.58 -0.08 0.00 0.70 0.00 0.00 55.95 57.12 3k90 s SER 92 Cb 0.00 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 3k90 s SER 92 CO -0.06 -0.16 0.09 -0.89 1.20 0.00 0.00 173.24 173.42 3k90 s THR 93 N 1.17 4.65 0.05 6.45 2.01 -0.28 1.00 115.64 130.68 3k90 s THR 93 Ca -0.08 -0.06 0.07 0.00 0.31 0.00 0.00 61.69 61.92 3k90 s THR 93 Cb -0.09 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 3k90 s THR 93 CO -0.08 0.36 -0.20 -1.61 -0.69 0.00 0.00 174.62 172.39 3k90 s GLU 94 N 1.27 1.34 -0.13 4.92 2.02 -0.23 -0.12 118.70 127.77 3k90 s GLU 94 Ca 0.05 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.10 3k90 s GLU 94 Cb -0.14 -1.45 -0.01 0.00 0.10 0.00 0.00 34.13 32.62 3k90 s GLU 94 CO 0.04 0.37 -0.14 0.50 0.02 0.00 0.00 175.26 176.05 3k90 s ARG 95 N -1.22 3.35 -0.16 1.61 3.52 0.21 -1.00 118.95 125.26 3k90 s ARG 95 Ca 0.07 -0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 54.67 3k90 s ARG 95 Cb -0.09 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 3k90 s ARG 95 CO 0.02 0.20 1.65 -1.17 -0.81 0.00 0.00 175.30 175.19 3k90 s LEU 96 N 0.37 4.03 -0.14 -0.88 2.96 -0.34 -1.27 118.68 123.40 3k90 s LEU 96 Ca -0.11 1.85 -0.03 0.00 -0.22 0.00 0.00 54.13 55.62 3k90 s LEU 96 Cb -0.16 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 3k90 s LEU 96 CO 0.06 -1.16 0.26 0.47 -1.32 0.00 0.00 176.35 174.66 3k90 n ASP 97 N 8.08 1.94 -3.80 3.68 8.00 0.08 -0.22 116.55 134.30 3k90 n ASP 97 Ca 0.19 0.15 -0.13 0.00 0.71 0.00 0.00 54.79 55.70 3k90 n ASP 97 Cb 0.44 -0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 40.75 3k90 n ASP 97 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k90 s ILE 98 N -2.55 -0.03 -0.30 0.53 1.01 -1.14 -4.84 121.20 113.88 3k90 s ILE 98 Ca -0.23 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 3k90 s ILE 98 Cb 0.07 -0.14 0.12 0.00 0.01 0.00 0.00 42.46 42.52 3k90 s ILE 98 CO 0.74 0.04 0.21 -0.22 0.00 0.00 0.00 174.94 175.71 3k90 s LEU 99 N 0.57 0.29 -0.38 2.97 2.96 -1.25 -2.76 118.68 121.07 3k90 s LEU 99 Ca -0.04 -1.24 0.02 0.00 -0.22 0.00 0.00 54.13 52.65 3k90 s LEU 99 Cb -0.06 -0.01 0.11 0.00 0.50 0.00 0.00 46.19 46.72 3k90 s LEU 99 CO -0.02 -0.40 0.11 -0.62 -1.32 0.00 0.00 176.35 174.10 3k90 s ASP 100 N 2.02 4.83 0.43 3.68 -1.08 -0.08 -4.96 116.67 121.52 3k90 s ASP 100 Ca 0.11 -2.24 0.21 0.00 -0.52 0.00 0.00 52.55 50.10 3k90 s ASP 100 Cb -0.16 -1.68 0.96 0.00 -1.46 0.00 0.00 42.92 40.58 3k90 s ASP 100 CO -0.29 -0.40 1.87 0.44 0.52 0.00 0.00 175.17 177.31 3k90 h ASP 101 N 7.56 0.00 -0.06 -0.34 3.32 -1.97 0.24 116.42 125.17 3k90 h ASP 101 Ca -0.06 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.82 3k90 h ASP 101 Cb 1.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.57 3k90 h ASP 101 CO 0.58 0.27 -0.62 -0.33 -1.72 0.00 0.00 179.24 177.42 3k90 h GLU 102 N 0.00 0.52 -0.02 3.56 4.39 -1.97 -3.32 114.58 117.74 3k90 h GLU 102 Ca -0.00 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3k90 h GLU 102 Cb 0.65 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3k90 h GLU 102 CO 0.04 1.12 -0.40 0.54 -1.16 0.00 0.00 179.01 179.14 3k90 n ARG 103 N -4.17 1.35 -3.32 2.33 1.74 -1.17 -5.01 116.66 108.41 3k90 n ARG 103 Ca -0.09 -1.10 -0.17 0.00 -0.77 0.00 0.00 57.85 55.71 3k90 n ARG 103 Cb 0.67 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.69 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 0.14 -2.00 -4.43 5.56 1.74 0.80 -4.71 116.66 113.75 3k90 n ARG 104 Ca 0.10 0.83 -0.26 0.00 -0.77 0.00 0.00 57.85 57.75 3k90 n ARG 104 Cb 0.48 -5.50 -0.17 0.00 -1.02 0.00 0.00 32.46 26.26 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 -3.38 1.19 0.42 1.55 1.01 -0.97 -1.85 120.40 118.37 3k90 s VAL 105 Ca 0.44 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3k90 s VAL 105 Cb -0.08 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3k90 s VAL 105 CO 0.76 0.38 0.06 0.42 0.00 0.00 0.00 175.10 176.71 3k90 s THR 106 N 0.93 1.14 -0.21 3.92 -4.23 -0.17 -0.90 115.64 116.11 3k90 s THR 106 Ca -0.09 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.10 3k90 s THR 106 Cb -0.15 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.33 3k90 s THR 106 CO 0.00 0.00 1.20 -0.83 -0.54 0.00 0.00 174.62 174.46 3k90 s GLY 107 N -3.67 -0.14 0.13 3.99 0.00 -1.11 0.80 107.32 107.31 3k90 s GLY 107 Ca 0.23 2.17 -0.03 0.00 0.00 0.00 0.00 44.72 47.10 3k90 s GLY 107 CO 0.12 0.88 0.10 -0.11 0.00 0.00 0.00 173.10 174.09 3k90 s PHE 108 N -1.56 0.70 -0.02 1.90 -0.12 -0.52 -0.74 117.98 117.63 3k90 s PHE 108 Ca 0.06 -1.09 0.05 0.00 -0.05 0.00 0.00 56.93 55.90 3k90 s PHE 108 Cb -0.01 -0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.01 3k90 s PHE 108 CO -0.04 -0.55 -0.17 -1.12 -0.05 0.00 0.00 175.22 173.28 3k90 s SER 109 N -3.01 2.05 -0.23 1.98 0.01 -0.40 -1.05 113.70 113.05 3k90 s SER 109 Ca 0.20 -0.32 -0.29 0.00 1.31 0.00 0.00 55.95 56.85 3k90 s SER 109 Cb 0.06 -0.32 0.01 0.00 0.21 0.00 0.00 66.02 65.99 3k90 s SER 109 CO -0.00 0.20 1.05 -0.63 0.41 0.00 0.00 173.24 174.26 3k90 s ILE 110 N -0.29 4.66 -0.14 1.44 1.01 -0.07 -0.62 121.20 127.19 3k90 s ILE 110 Ca 0.04 2.01 0.01 0.00 0.00 0.00 0.00 60.65 62.70 3k90 s ILE 110 Cb -0.08 -4.31 -0.24 0.00 0.01 0.00 0.00 42.46 37.85 3k90 s ILE 110 CO 0.00 -0.19 0.27 -0.38 0.00 0.00 0.00 174.94 174.64 3k90 n ILE 111 N 5.35 1.66 -3.33 2.92 5.41 0.83 -4.52 119.36 127.68 3k90 n ILE 111 Ca 0.12 -0.68 0.00 0.00 1.00 0.00 0.00 62.75 63.19 3k90 n ILE 111 Cb 0.46 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 3k90 n ILE 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k90 n GLY 112 N 1.95 1.41 0.00 7.39 0.00 -1.02 -4.99 105.19 109.92 3k90 n GLY 112 Ca -0.32 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3k90 n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k90 n GLY 113 N 0.00 2.37 3.57 -0.02 0.00 -1.26 -1.13 105.19 108.72 3k90 n GLY 113 Ca 0.00 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 3k90 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k90 s GLU 114 N -3.91 3.58 0.28 1.61 2.56 -1.23 -4.91 118.70 116.67 3k90 s GLU 114 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 54.97 55.00 3k90 s GLU 114 Cb 0.00 -3.91 0.07 0.00 2.00 0.00 0.00 34.13 32.29 3k90 s GLU 114 CO 0.00 -1.17 0.90 -2.39 -0.56 0.00 0.00 175.26 172.04 3k90 n HIS 115 N 7.08 -1.83 1.16 5.30 1.44 -1.26 -3.60 115.22 123.52 3k90 n HIS 115 Ca 0.06 -1.53 0.12 0.00 -2.01 0.00 0.00 57.72 54.37 3k90 n HIS 115 Cb 0.48 0.76 0.28 0.00 0.12 0.00 0.00 29.99 31.63 3k90 n HIS 115 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 3k90 n ARG 116 N -0.62 0.74 -2.91 -1.40 0.00 -1.26 -4.85 116.66 106.36 3k90 n ARG 116 Ca -0.05 -0.48 -0.42 0.00 -0.00 0.00 0.00 57.85 56.90 3k90 n ARG 116 Cb 0.58 -1.49 -0.04 0.00 -0.00 0.00 0.00 32.46 31.50 3k90 n ARG 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3k90 s LEU 117 N -2.59 4.07 -0.15 2.89 1.43 -1.26 -4.93 118.68 118.14 3k90 s LEU 117 Ca 0.21 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 3k90 s LEU 117 Cb 0.19 -3.15 -0.00 0.00 0.03 0.00 0.00 46.19 43.25 3k90 s LEU 117 CO 0.57 -0.59 -0.14 -0.89 0.23 0.00 0.00 176.35 175.53 3k90 s THR 118 N 2.95 2.77 -1.52 5.49 2.01 -1.26 -4.66 115.64 121.42 3k90 s THR 118 Ca 0.34 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.60 3k90 s THR 118 Cb -0.14 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.19 3k90 s THR 118 CO 0.10 0.51 0.00 0.59 -0.69 0.00 0.00 174.62 175.14 3k90 n ASN 119 N 3.97 -4.95 -4.72 3.53 3.02 -1.26 -1.22 115.26 113.63 3k90 n ASN 119 Ca -0.19 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.05 3k90 n ASN 119 Cb 0.52 -4.01 -0.03 0.00 -0.61 0.00 0.00 39.78 35.65 3k90 n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3k90 s TYR 120 N -2.77 2.99 -0.06 3.10 6.14 -1.26 -4.43 117.35 121.07 3k90 s TYR 120 Ca 0.00 0.55 -0.03 0.00 0.64 0.00 0.00 57.07 58.23 3k90 s TYR 120 Cb 0.00 -4.00 0.03 0.00 0.42 0.00 0.00 41.96 38.41 3k90 s TYR 120 CO 0.00 -3.71 0.13 0.21 0.64 0.00 0.00 175.55 172.82 3k90 s LYS 121 N 1.02 0.09 0.11 4.97 2.20 -0.30 -0.89 119.74 126.93 3k90 s LYS 121 Ca 0.71 0.31 0.04 0.00 -0.36 0.00 0.00 55.97 56.67 3k90 s LYS 121 Cb -0.46 -0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 35.69 3k90 s LYS 121 CO 0.33 -0.14 -0.10 -1.54 -0.36 0.00 0.00 175.35 173.54 3k90 s SER 122 N 0.94 1.55 -0.03 1.43 1.04 -0.22 -0.66 113.70 117.75 3k90 s SER 122 Ca -0.07 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.53 3k90 s SER 122 Cb -0.10 -0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.03 3k90 s SER 122 CO -0.04 -0.27 -0.09 -0.69 0.98 0.00 0.00 173.24 173.13 3k90 s VAL 123 N -2.57 0.77 -0.09 5.02 1.01 -0.48 -1.43 120.40 122.63 3k90 s VAL 123 Ca 0.08 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3k90 s VAL 123 Cb -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.66 3k90 s VAL 123 CO 0.00 0.25 -0.22 -0.89 0.00 0.00 0.00 175.10 174.24 3k90 s THR 124 N 0.34 1.89 0.07 3.92 2.01 0.24 -2.00 115.64 122.11 3k90 s THR 124 Ca -0.05 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.09 3k90 s THR 124 Cb -0.10 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 3k90 s THR 124 CO 0.01 0.52 -0.20 0.42 -0.69 0.00 0.00 174.62 174.68 3k90 s THR 125 N 0.37 1.64 -0.06 -0.82 -4.23 -0.04 -1.00 115.64 111.50 3k90 s THR 125 Ca -0.17 -1.31 0.04 0.00 -1.18 0.00 0.00 61.69 59.06 3k90 s THR 125 Cb -0.17 -1.46 -0.00 0.00 1.34 0.00 0.00 72.50 72.21 3k90 s THR 125 CO 0.08 0.09 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.37 3k90 s VAL 126 N -0.94 1.64 -0.05 2.29 1.01 -0.77 -1.57 120.40 122.01 3k90 s VAL 126 Ca 0.07 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3k90 s VAL 126 Cb -0.09 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3k90 s VAL 126 CO 0.03 0.47 -0.10 -1.00 0.00 0.00 0.00 175.10 174.49 3k90 s HIS 127 N 0.21 1.23 0.03 5.22 3.76 -0.31 -4.80 115.29 120.63 3k90 s HIS 127 Ca -0.10 -0.41 -0.26 0.00 -0.15 0.00 0.00 55.06 54.15 3k90 s HIS 127 Cb -0.14 -0.92 -0.05 0.00 1.11 0.00 0.00 32.58 32.58 3k90 s HIS 127 CO 0.05 -0.22 0.79 0.50 -0.85 0.00 0.00 174.74 175.01 3k90 s ARG 128 N 0.59 4.51 0.00 1.40 3.52 -1.26 -1.62 118.95 126.09 3k90 s ARG 128 Ca -0.11 1.10 0.06 0.00 -0.13 0.00 0.00 55.73 56.65 3k90 s ARG 128 Cb -0.14 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 3k90 s ARG 128 CO 0.02 0.22 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.48 3k90 s PHE 129 N 0.15 1.72 -0.03 5.12 0.08 -0.01 -4.95 117.98 120.05 3k90 s PHE 129 Ca 0.40 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.11 3k90 s PHE 129 Cb -0.20 -1.08 0.03 0.00 -0.57 0.00 0.00 43.02 41.19 3k90 s PHE 129 CO 0.23 0.01 0.01 -2.00 -0.10 0.00 0.00 175.22 173.37 3k90 s GLU 130 N -0.68 0.24 -0.01 0.44 2.12 -1.26 -0.80 118.70 118.76 3k90 s GLU 130 Ca 0.07 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.52 3k90 s GLU 130 Cb -0.08 -0.48 0.02 0.00 0.26 0.00 0.00 34.13 33.85 3k90 s GLU 130 CO 0.00 -0.17 0.01 0.21 -0.54 0.00 0.00 175.26 174.77 3k90 s LYS 131 N 1.18 0.10 5.89 4.30 2.36 0.15 -4.96 119.74 128.75 3k90 s LYS 131 Ca -0.08 0.07 0.00 0.00 -2.55 0.00 0.00 55.97 53.42 3k90 s LYS 131 Cb -0.13 -0.24 0.00 0.00 -1.05 0.00 0.00 37.83 36.40 3k90 s LYS 131 CO -0.02 -0.09 0.00 0.39 1.55 0.00 0.00 175.35 177.18 3k90 n GLU 132 N 3.73 0.00 -0.08 4.03 1.02 -1.26 -0.22 120.64 127.87 3k90 n GLU 132 Ca -0.22 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.01 3k90 n GLU 132 Cb 0.54 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.08 3k90 n GLU 132 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3k90 n ASN 133 N 5.43 2.73 -4.81 1.62 0.23 -1.26 -5.00 115.26 114.20 3k90 n ASN 133 Ca 0.00 -1.80 -0.38 0.00 -0.53 0.00 0.00 54.58 51.87 3k90 n ASN 133 Cb 0.00 -0.11 -0.06 0.00 -2.08 0.00 0.00 39.78 37.53 3k90 n ASN 133 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3k90 s ARG 134 N -1.30 4.25 -0.06 -3.83 1.70 0.70 -5.08 118.95 115.33 3k90 s ARG 134 Ca 0.25 0.81 0.04 0.00 -0.47 0.00 0.00 55.73 56.36 3k90 s ARG 134 Cb 0.16 -3.13 -0.02 0.00 -0.57 0.00 0.00 34.95 31.39 3k90 s ARG 134 CO 0.22 0.56 -0.17 0.42 -1.08 0.00 0.00 175.30 175.24 3k90 s ILE 135 N -1.25 2.75 0.26 4.99 1.01 -1.26 -0.67 121.20 127.02 3k90 s ILE 135 Ca 0.34 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 3k90 s ILE 135 Cb -0.19 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 3k90 s ILE 135 CO 0.21 0.57 0.40 -1.66 0.00 0.00 0.00 174.94 174.46 3k90 s TRP 136 N -0.38 0.70 0.09 3.97 -2.14 0.02 -4.55 118.94 116.65 3k90 s TRP 136 Ca 0.04 -1.00 0.10 0.00 2.66 0.00 0.00 56.10 57.89 3k90 s TRP 136 Cb -0.12 -0.04 -0.03 0.00 -3.10 0.00 0.00 33.47 30.18 3k90 s TRP 136 CO 0.02 -0.95 -0.26 0.99 -2.66 0.00 0.00 176.95 174.08 3k90 s THR 137 N -3.81 2.18 -0.11 0.66 2.01 0.65 -0.83 115.64 116.39 3k90 s THR 137 Ca 0.28 -1.58 0.03 0.00 0.31 0.00 0.00 61.69 60.74 3k90 s THR 137 Cb 0.01 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.62 3k90 s THR 137 CO 0.12 0.21 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.36 3k90 s VAL 138 N -0.94 1.93 -0.16 3.82 1.01 -0.64 -0.29 120.40 125.12 3k90 s VAL 138 Ca 0.13 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 3k90 s VAL 138 Cb -0.10 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3k90 s VAL 138 CO 0.04 0.53 0.03 -0.69 0.00 0.00 0.00 175.10 175.01 3k90 s VAL 139 N 0.53 4.56 -0.08 2.92 1.01 -0.08 -1.16 120.40 128.10 3k90 s VAL 139 Ca -0.15 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3k90 s VAL 139 Cb -0.17 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3k90 s VAL 139 CO 0.05 0.49 -0.15 -0.76 0.00 0.00 0.00 175.10 174.73 3k90 s LEU 140 N 0.18 2.68 -0.04 3.92 1.43 -0.61 -0.83 118.68 125.42 3k90 s LEU 140 Ca 0.03 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3k90 s LEU 140 Cb -0.13 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.56 3k90 s LEU 140 CO 0.01 0.27 -0.01 -0.70 0.23 0.00 0.00 176.35 176.15 3k90 s GLU 141 N -0.28 0.43 0.22 1.70 2.12 -0.25 -0.86 118.70 121.78 3k90 s GLU 141 Ca 0.02 0.06 0.10 0.00 0.36 0.00 0.00 54.97 55.50 3k90 s GLU 141 Cb -0.13 -0.62 -0.05 0.00 0.26 0.00 0.00 34.13 33.60 3k90 s GLU 141 CO 0.03 -0.15 -0.19 -1.54 -0.54 0.00 0.00 175.26 172.87 3k90 s SER 142 N 1.17 3.05 0.05 -1.70 1.04 -0.85 -0.08 113.70 116.38 3k90 s SER 142 Ca -0.08 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.36 3k90 s SER 142 Cb -0.13 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 3k90 s SER 142 CO -0.02 -0.02 0.05 -0.72 0.98 0.00 0.00 173.24 173.51 3k90 s TYR 143 N -2.37 0.32 -0.00 5.02 -0.85 -0.91 -1.38 117.35 117.17 3k90 s TYR 143 Ca 0.23 -0.73 0.06 0.00 -0.52 0.00 0.00 57.07 56.10 3k90 s TYR 143 Cb -0.05 -0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.05 3k90 s TYR 143 CO 0.10 -0.38 -0.19 0.08 -1.52 0.00 0.00 175.55 173.64 3k90 s VAL 144 N -3.16 1.52 0.03 -3.49 1.01 0.17 -2.68 120.40 113.80 3k90 s VAL 144 Ca -0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 3k90 s VAL 144 Cb 0.02 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3k90 s VAL 144 CO -0.07 0.37 -0.02 0.68 0.00 0.00 0.00 175.10 176.07 3k90 s VAL 145 N -0.52 0.15 -0.03 2.92 -7.23 -0.26 -1.15 120.40 114.29 3k90 s VAL 145 Ca 0.07 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 3k90 s VAL 145 Cb -0.08 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 3k90 s VAL 145 CO -0.00 -0.70 1.17 -1.81 -0.31 0.00 0.00 175.10 173.45 3k90 s ASP 146 N -2.07 7.10 0.11 4.85 1.01 -0.36 -0.78 116.67 126.53 3k90 s ASP 146 Ca -0.06 1.83 -0.26 0.00 0.71 0.00 0.00 52.55 54.77 3k90 s ASP 146 Cb -0.02 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 3k90 s ASP 146 CO -0.05 -0.52 0.79 0.00 0.21 0.00 0.00 175.17 175.61 3k90 s MET 147 N 1.82 4.55 1.02 8.23 0.23 0.74 -4.45 119.30 131.43 3k90 s MET 147 Ca 0.56 1.15 -0.15 0.00 -1.03 0.00 0.00 55.69 56.22 3k90 s MET 147 Cb -0.25 -3.32 0.15 0.00 -1.53 0.00 0.00 34.83 29.88 3k90 s MET 147 CO 0.24 0.42 0.20 -2.30 -2.03 0.00 0.00 175.02 171.55 3k90 n PRO 148 N 2.22 -2.08 -0.27 3.16 -0.02 -1.26 -4.81 135.00 131.93 3k90 n PRO 148 Ca -0.04 -0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 60.82 3k90 n PRO 148 Cb 0.49 -1.48 0.09 0.00 -0.02 0.00 0.00 33.50 32.58 3k90 n PRO 148 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3k90 n GLU 149 N -1.62 1.82 -0.45 -0.52 0.28 -1.26 -4.01 120.64 114.87 3k90 n GLU 149 Ca 0.05 -0.84 0.05 0.00 -0.16 0.00 0.00 57.16 56.26 3k90 n GLU 149 Cb 0.40 -1.58 0.24 0.00 1.43 0.00 0.00 31.44 31.93 3k90 n GLU 149 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3k90 n GLY 150 N 0.13 2.00 7.00 -1.84 0.00 -1.26 -5.02 105.19 106.20 3k90 n GLY 150 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3k90 n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k90 n ASN 151 N 0.55 0.00 -3.55 1.61 2.85 -1.26 -4.23 115.26 111.23 3k90 n ASN 151 Ca 0.17 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.25 3k90 n ASN 151 Cb 0.69 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.67 3k90 n ASN 151 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 3k90 n SER 152 N 5.64 3.60 -4.56 1.20 2.88 -1.26 -4.79 113.62 116.33 3k90 n SER 152 Ca 0.00 -2.65 -0.36 0.00 -1.33 0.00 0.00 58.87 54.53 3k90 n SER 152 Cb 0.00 -1.27 -0.04 0.00 -0.75 0.00 0.00 64.21 62.16 3k90 n SER 152 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3k90 s GLU 153 N 4.14 3.23 0.00 -1.46 2.12 -1.26 -4.79 118.70 120.68 3k90 s GLU 153 Ca 0.53 -0.81 0.11 0.00 0.36 0.00 0.00 54.97 55.16 3k90 s GLU 153 Cb 0.14 -5.23 0.58 0.00 0.26 0.00 0.00 34.13 29.88 3k90 s GLU 153 CO 0.03 -2.61 1.20 -0.25 -0.54 0.00 0.00 175.26 173.09 3k90 n ASP 154 N 10.64 0.00 -0.17 -1.70 8.00 -1.26 -3.12 116.55 128.94 3k90 n ASP 154 Ca 0.35 -0.02 -0.07 0.00 0.71 0.00 0.00 54.79 55.75 3k90 n ASP 154 Cb 0.50 -0.20 0.02 0.00 -0.02 0.00 0.00 41.12 41.42 3k90 n ASP 154 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3k90 h ASP 155 N 0.00 0.58 -0.03 -2.24 3.32 -1.99 -1.88 116.42 114.18 3k90 h ASP 155 Ca 0.00 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3k90 h ASP 155 Cb 0.07 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3k90 h ASP 155 CO 0.00 0.46 0.02 0.74 -1.72 0.00 0.00 179.24 178.74 3k90 h THR 156 N 0.66 1.05 -0.48 0.35 2.02 -1.97 0.85 112.91 115.38 3k90 h THR 156 Ca 0.18 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3k90 h THR 156 Cb -0.02 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3k90 h THR 156 CO -0.03 0.04 0.22 -0.09 0.37 0.00 0.00 175.52 176.02 3k90 h ARG 157 N -0.01 0.70 -0.47 6.66 2.43 -1.77 -0.39 114.38 121.54 3k90 h ARG 157 Ca 0.01 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3k90 h ARG 157 Cb 0.05 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3k90 h ARG 157 CO -0.00 0.61 0.31 0.52 -1.51 0.00 0.00 179.97 179.89 3k90 h MET 158 N 0.63 0.60 0.28 0.20 2.86 -1.11 0.12 114.93 118.52 3k90 h MET 158 Ca 0.16 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3k90 h MET 158 Cb 0.15 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3k90 h MET 158 CO -0.02 0.40 -0.13 0.35 1.06 0.00 0.00 176.91 178.57 3k90 h PHE 159 N 0.62 -0.35 -0.80 -0.22 3.57 -0.61 -2.65 116.94 116.51 3k90 h PHE 159 Ca 0.17 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3k90 h PHE 159 Cb -0.06 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3k90 h PHE 159 CO -0.05 -0.13 0.38 0.00 -2.23 0.00 0.00 178.31 176.28 3k90 h ALA 160 N 0.20 1.03 -0.41 2.41 0.00 -0.91 -2.34 119.26 119.24 3k90 h ALA 160 Ca -0.04 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3k90 h ALA 160 Cb 0.37 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3k90 h ALA 160 CO 0.06 0.60 0.19 -0.44 0.00 0.00 0.00 179.25 179.67 3k90 h ASP 161 N 1.14 0.27 -0.03 0.00 3.32 -0.78 0.44 116.42 120.77 3k90 h ASP 161 Ca 0.27 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.36 3k90 h ASP 161 Cb 0.12 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3k90 h ASP 161 CO -0.03 0.19 -0.02 0.74 -1.72 0.00 0.00 179.24 178.40 3k90 h THR 162 N 0.39 0.95 0.09 0.35 2.02 -1.18 0.38 112.91 115.91 3k90 h THR 162 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.36 3k90 h THR 162 Cb 0.11 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3k90 h THR 162 CO -0.14 0.00 -0.09 0.58 0.37 0.00 0.00 175.52 176.24 3k90 h VAL 163 N -0.01 0.78 -0.27 3.16 2.07 -1.11 -0.35 116.25 120.53 3k90 h VAL 163 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 3k90 h VAL 163 Cb 0.04 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3k90 h VAL 163 CO -0.04 0.00 0.08 0.58 0.02 0.00 0.00 177.57 178.21 3k90 h VAL 164 N -0.21 0.92 -0.65 2.57 2.07 -0.79 -0.09 116.25 120.07 3k90 h VAL 164 Ca 0.01 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3k90 h VAL 164 Cb 0.20 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3k90 h VAL 164 CO -0.03 0.04 0.39 0.11 0.02 0.00 0.00 177.57 178.09 3k90 h LYS 165 N 0.20 0.72 -0.57 1.57 1.57 -0.68 -0.52 116.57 118.87 3k90 h LYS 165 Ca 0.12 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3k90 h LYS 165 Cb 0.09 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3k90 h LYS 165 CO -0.13 0.48 0.05 -0.07 -0.57 0.00 0.00 179.45 179.22 3k90 h LEU 166 N 0.75 0.94 -0.84 2.94 3.38 -0.71 -2.04 115.31 119.73 3k90 h LEU 166 Ca 0.27 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3k90 h LEU 166 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3k90 h LEU 166 CO -0.13 0.99 -0.11 0.78 0.09 0.00 0.00 178.44 180.06 3k90 h ASN 167 N 0.87 0.74 -0.11 -0.43 2.35 -0.63 -1.27 115.58 117.10 3k90 h ASN 167 Ca 0.17 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3k90 h ASN 167 Cb 0.47 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3k90 h ASN 167 CO 0.02 0.87 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.43 3k90 h LEU 168 N 0.68 0.48 -0.31 1.61 3.38 -0.99 -0.62 115.31 119.54 3k90 h LEU 168 Ca 0.12 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3k90 h LEU 168 Cb 0.58 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3k90 h LEU 168 CO 0.04 0.67 -0.07 1.56 0.09 0.00 0.00 178.44 180.73 3k90 h GLN 169 N 0.45 0.60 -0.60 1.13 4.20 -1.04 -1.69 115.11 118.16 3k90 h GLN 169 Ca 0.08 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 3k90 h GLN 169 Cb 0.56 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3k90 h GLN 169 CO 0.04 0.79 0.29 -0.22 -0.67 0.00 0.00 178.83 179.06 3k90 h LYS 170 N 0.38 0.85 -0.50 1.46 3.64 -1.16 -1.06 116.57 120.18 3k90 h LYS 170 Ca 0.08 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 3k90 h LYS 170 Cb 0.56 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 3k90 h LYS 170 CO 0.03 0.69 0.07 1.25 -2.27 0.00 0.00 179.45 179.22 3k90 h LEU 171 N 0.81 -0.06 -0.44 5.20 5.85 -0.98 0.22 115.31 125.91 3k90 h LEU 171 Ca 0.21 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 3k90 h LEU 171 Cb 0.11 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3k90 h LEU 171 CO -0.03 -0.00 0.26 0.00 -0.34 0.00 0.00 178.44 178.33 3k90 h ALA 172 N 1.41 0.56 -0.51 1.25 0.00 -1.01 -1.03 119.26 119.93 3k90 h ALA 172 Ca 0.25 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3k90 h ALA 172 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3k90 h ALA 172 CO -0.36 0.05 0.12 1.79 0.00 0.00 0.00 179.25 180.86 3k90 h THR 173 N 0.58 1.24 0.00 0.00 1.35 -0.55 -0.60 112.91 114.94 3k90 h THR 173 Ca 0.16 -0.86 -0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3k90 h THR 173 Cb -0.00 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 3k90 h THR 173 CO -0.03 0.31 -0.00 0.58 -0.25 0.00 0.00 175.52 176.13 3k90 h VAL 174 N 0.71 1.11 -0.44 6.82 2.07 -0.91 -1.22 116.25 124.39 3k90 h VAL 174 Ca 0.16 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3k90 h VAL 174 Cb 0.34 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3k90 h VAL 174 CO 0.00 0.08 0.12 0.00 0.02 0.00 0.00 177.57 177.79 3k90 h ALA 175 N 0.85 0.58 -0.15 1.67 0.00 -1.09 -0.37 119.26 120.75 3k90 h ALA 175 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3k90 h ALA 175 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3k90 h ALA 175 CO 0.00 0.25 0.08 0.93 0.00 0.00 0.00 179.25 180.51 3k90 h GLU 176 N 0.58 0.22 -0.71 0.00 5.08 -1.13 0.37 114.58 118.99 3k90 h GLU 176 Ca 0.14 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3k90 h GLU 176 Cb 0.30 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 3k90 h GLU 176 CO -0.00 0.24 0.41 0.00 -1.00 0.00 0.00 179.01 178.67 3k90 h ALA 177 N 0.96 0.95 -0.36 3.43 0.00 -1.10 -1.89 119.26 121.26 3k90 h ALA 177 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3k90 h ALA 177 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3k90 h ALA 177 CO -0.01 0.12 0.06 0.52 0.00 0.00 0.00 179.25 179.94 3k90 h MET 178 N 0.77 0.53 0.00 0.00 2.86 -0.71 -2.41 114.93 115.96 3k90 h MET 178 Ca 0.31 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 3k90 h MET 178 Cb 0.15 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 3k90 h MET 178 CO -0.17 0.51 -0.17 0.00 1.06 0.00 0.00 176.91 178.15 3k90 h ALA 179 N 1.56 1.19 -0.01 6.32 0.00 -0.11 -3.51 119.26 124.70 3k90 h ALA 179 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k90 h ALA 179 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3k90 h ALA 179 CO 0.00 0.21 0.00 0.54 0.00 0.00 0.00 179.25 180.00