#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k90 n ALA 2 N 0.00 1.12 -1.00 3.17 0.00 -1.26 -4.70 120.51 117.83 3k90 n ALA 2 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3k90 n ALA 2 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.40 3k90 n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3k90 n SER 3 N 0.00 -0.21 -4.38 0.00 7.64 -1.26 -4.61 113.62 110.80 3k90 n SER 3 Ca 0.00 -0.83 -0.46 0.00 1.01 0.00 0.00 58.87 58.59 3k90 n SER 3 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 3k90 n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3k90 n GLU 4 N -1.04 0.07 -2.07 1.43 1.02 -1.26 -4.83 120.64 113.95 3k90 n GLU 4 Ca 0.00 0.03 -0.37 0.00 -0.02 0.00 0.00 57.16 56.79 3k90 n GLU 4 Cb 0.00 -1.05 0.01 0.00 -0.02 0.00 0.00 31.44 30.38 3k90 n GLU 4 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3k90 s LEU 5 N 3.27 3.91 0.79 -4.62 1.43 -1.26 -4.61 118.68 117.58 3k90 s LEU 5 Ca 0.62 2.46 -0.11 0.00 -1.03 0.00 0.00 54.13 56.07 3k90 s LEU 5 Cb -0.82 -4.30 0.06 0.00 0.03 0.00 0.00 46.19 41.16 3k90 s LEU 5 CO 0.58 -1.22 1.10 0.42 0.23 0.00 0.00 176.35 177.46 3k90 s THR 6 N -1.48 3.12 0.25 5.49 -4.23 -1.26 -4.85 115.64 112.67 3k90 s THR 6 Ca 0.68 0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 61.51 3k90 s THR 6 Cb -0.32 -3.13 0.22 0.00 1.34 0.00 0.00 72.50 70.61 3k90 s THR 6 CO 0.38 -0.47 1.84 -0.65 -0.54 0.00 0.00 174.62 175.18 3k90 h PRO 7 N -1.04 0.91 -0.34 3.99 0.11 -1.99 -1.04 132.00 132.60 3k90 h PRO 7 Ca -0.47 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3k90 h PRO 7 Cb 1.27 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3k90 h PRO 7 CO 0.60 0.60 0.21 0.93 -0.21 0.00 0.00 178.00 180.13 3k90 h GLU 8 N 0.94 0.45 -0.37 1.05 3.07 -1.99 -0.98 114.58 116.76 3k90 h GLU 8 Ca 0.40 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 3k90 h GLU 8 Cb 0.25 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3k90 h GLU 8 CO -0.20 0.33 0.21 0.93 -1.40 0.00 0.00 179.01 178.88 3k90 h GLU 9 N 0.44 0.51 -0.26 2.33 5.08 -1.86 -1.58 114.58 119.24 3k90 h GLU 9 Ca 0.12 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3k90 h GLU 9 Cb -0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3k90 h GLU 9 CO -0.02 0.41 0.13 0.00 -1.00 0.00 0.00 179.01 178.52 3k90 h ARG 10 N 0.47 0.26 -0.58 2.33 3.08 -1.03 -1.40 114.38 117.51 3k90 h ARG 10 Ca 0.13 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.21 3k90 h ARG 10 Cb 0.04 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 3k90 h ARG 10 CO -0.02 0.17 0.31 0.77 -1.07 0.00 0.00 179.97 180.13 3k90 h SER 11 N 0.27 0.45 0.41 7.04 0.02 -1.06 -2.27 113.55 118.42 3k90 h SER 11 Ca 0.11 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3k90 h SER 11 Cb 0.03 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3k90 h SER 11 CO -0.07 0.30 -0.27 -0.08 -1.14 0.00 0.00 176.83 175.57 3k90 h GLU 12 N 0.59 0.00 -0.00 3.45 4.57 -0.79 -3.02 114.58 119.37 3k90 h GLU 12 Ca 0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3k90 h GLU 12 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3k90 h GLU 12 CO -0.16 0.27 -0.38 1.28 -1.18 0.00 0.00 179.01 178.84 3k90 n LEU 13 N -3.92 0.51 -0.19 1.64 4.32 -0.57 -4.36 117.00 114.43 3k90 n LEU 13 Ca -0.02 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 3k90 n LEU 13 Cb 0.35 -0.26 0.10 0.00 -1.62 0.00 0.00 43.42 42.00 3k90 n LEU 13 CO 0.36 0.12 0.92 0.11 -1.22 0.00 0.00 177.39 177.68 3k90 h LYS 14 N 0.21 0.26 -0.53 3.23 1.57 -1.29 -0.91 116.57 119.11 3k90 h LYS 14 Ca 0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3k90 h LYS 14 Cb 0.49 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3k90 h LYS 14 CO 0.00 0.17 -0.12 -0.91 -0.57 0.00 0.00 179.45 178.03 3k90 h ASN 15 N 0.27 1.02 -0.46 0.86 2.35 -1.81 -1.98 115.58 115.83 3k90 h ASN 15 Ca 0.31 -0.36 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 3k90 h ASN 15 Cb 0.45 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3k90 h ASN 15 CO -0.39 1.14 -0.04 0.28 -1.65 0.00 0.00 177.43 176.77 3k90 h SER 16 N 0.89 0.88 -0.10 5.81 0.02 -1.70 -1.40 113.55 117.94 3k90 h SER 16 Ca 0.14 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3k90 h SER 16 Cb 0.69 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3k90 h SER 16 CO 0.05 0.96 0.06 0.40 -1.14 0.00 0.00 176.83 177.17 3k90 h ILE 17 N 0.82 1.07 -0.73 3.27 2.04 -1.01 0.19 117.51 123.16 3k90 h ILE 17 Ca 0.15 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.87 3k90 h ILE 17 Cb 0.55 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 3k90 h ILE 17 CO 0.03 0.06 0.44 0.00 0.00 0.00 0.00 178.15 178.68 3k90 h ALA 18 N 0.99 0.96 -0.03 1.87 0.00 -1.25 0.77 119.26 122.58 3k90 h ALA 18 Ca 0.04 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3k90 h ALA 18 Cb 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.65 3k90 h ALA 18 CO -0.01 0.19 -0.79 1.49 0.00 0.00 0.00 179.25 180.13 3k90 h GLU 19 N 0.84 0.58 0.00 0.00 4.81 -0.98 -3.39 114.58 116.45 3k90 h GLU 19 Ca 0.30 -0.59 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3k90 h GLU 19 Cb 0.09 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 3k90 h GLU 19 CO -0.14 1.21 -1.19 1.19 -0.73 0.00 0.00 179.01 179.35 3k90 n PHE 20 N -4.04 0.00 -0.95 0.92 3.72 0.65 -4.76 117.46 113.00 3k90 n PHE 20 Ca -0.10 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.37 3k90 n PHE 20 Cb 0.76 -0.10 0.10 0.00 -0.94 0.00 0.00 39.48 39.30 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 -1.66 0.00 -4.57 1.38 8.25 0.22 -4.86 115.22 113.98 3k90 n HIS 21 Ca -0.01 -0.81 -0.33 0.00 -0.26 0.00 0.00 57.72 56.31 3k90 n HIS 21 Cb 0.13 -0.12 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 3k90 n HIS 21 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3k90 s THR 22 N -2.24 2.72 -0.02 1.59 -4.23 -0.91 -4.92 115.64 107.62 3k90 s THR 22 Ca 0.23 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 3k90 s THR 22 Cb 0.20 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 3k90 s THR 22 CO 0.02 0.52 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.26 3k90 s TYR 23 N 0.75 2.96 -0.49 3.99 2.02 -1.26 -5.01 117.35 120.31 3k90 s TYR 23 Ca -0.06 0.01 -0.23 0.00 -0.37 0.00 0.00 57.07 56.42 3k90 s TYR 23 Cb -0.15 -1.66 0.03 0.00 -0.40 0.00 0.00 41.96 39.78 3k90 s TYR 23 CO 0.01 0.39 0.84 -0.65 -1.57 0.00 0.00 175.55 174.57 3k90 s GLN 24 N -1.27 3.37 0.30 -0.62 -1.52 -1.26 -5.02 119.66 113.64 3k90 s GLN 24 Ca 0.16 -0.21 -0.28 0.00 -1.95 0.00 0.00 55.36 53.09 3k90 s GLN 24 Cb -0.11 -3.99 -0.09 0.00 -0.22 0.00 0.00 33.01 28.59 3k90 s GLN 24 CO 0.06 -1.27 1.01 -0.51 -0.25 0.00 0.00 175.29 174.34 3k90 s LEU 25 N 3.51 4.44 0.38 2.90 1.43 -1.26 -5.04 118.68 125.04 3k90 s LEU 25 Ca 0.29 2.05 -0.25 0.00 -1.03 0.00 0.00 54.13 55.19 3k90 s LEU 25 Cb -0.13 -3.83 -0.09 0.00 0.03 0.00 0.00 46.19 42.18 3k90 s LEU 25 CO 0.21 -0.13 1.09 -1.81 0.23 0.00 0.00 176.35 175.95 3k90 s ASP 26 N -1.26 6.76 0.17 2.29 1.01 -1.26 -5.01 116.67 119.36 3k90 s ASP 26 Ca 0.48 2.17 -0.33 0.00 0.71 0.00 0.00 52.55 55.58 3k90 s ASP 26 Cb -0.25 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 40.92 3k90 s ASP 26 CO 0.32 -0.50 1.31 -2.65 0.21 0.00 0.00 175.17 173.86 3k90 n PRO 27 N 0.17 1.49 -0.36 8.23 -0.02 -1.26 -2.15 135.00 141.10 3k90 n PRO 27 Ca 0.04 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3k90 n PRO 27 Cb 0.48 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.33 0.76 3.53 -1.23 0.00 -1.26 -5.04 105.19 104.28 3k90 n GLY 28 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.40 3.13 0.08 1.61 1.04 -0.91 0.28 113.70 116.53 3k90 s SER 29 Ca 0.00 -1.36 -0.05 0.00 0.48 0.00 0.00 55.95 55.02 3k90 s SER 29 Cb 0.00 -0.24 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 3k90 s SER 29 CO 0.00 -0.51 0.10 0.00 0.98 0.00 0.00 173.24 173.81 3k90 s SER 31 N -2.89 1.06 0.00 0.00 1.04 -1.26 -1.72 113.70 109.93 3k90 s SER 31 Ca 0.07 -0.58 -0.02 0.00 0.48 0.00 0.00 55.95 55.89 3k90 s SER 31 Cb 0.06 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 3k90 s SER 31 CO -0.10 -0.18 0.04 -0.55 0.98 0.00 0.00 173.24 173.43 3k90 s SER 32 N -1.67 0.09 -0.07 7.02 0.15 -0.61 -4.99 113.70 113.60 3k90 s SER 32 Ca -0.07 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.38 3k90 s SER 32 Cb -0.09 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.36 3k90 s SER 32 CO 0.01 -0.21 -0.10 -0.22 1.20 0.00 0.00 173.24 173.92 3k90 s LEU 33 N -0.90 1.45 0.10 3.45 0.20 -1.26 -1.87 118.68 119.84 3k90 s LEU 33 Ca -0.10 -0.27 0.10 0.00 0.69 0.00 0.00 54.13 54.55 3k90 s LEU 33 Cb -0.06 -0.76 -0.04 0.00 -0.43 0.00 0.00 46.19 44.90 3k90 s LEU 33 CO -0.00 -0.03 -0.24 -1.00 -0.29 0.00 0.00 176.35 174.79 3k90 s HIS 34 N 1.00 2.39 0.13 5.38 3.76 -0.07 -5.01 115.29 122.86 3k90 s HIS 34 Ca -0.09 -0.35 0.09 0.00 -0.15 0.00 0.00 55.06 54.56 3k90 s HIS 34 Cb -0.15 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 3k90 s HIS 34 CO -0.00 0.29 -0.22 0.00 -0.85 0.00 0.00 174.74 173.96 3k90 s ALA 35 N -1.00 1.99 -0.05 -1.40 0.00 -1.26 -1.56 121.76 118.48 3k90 s ALA 35 Ca 0.14 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 3k90 s ALA 35 Cb -0.10 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.79 3k90 s ALA 35 CO 0.06 0.37 0.09 -1.14 0.00 0.00 0.00 175.76 175.13 3k90 s GLN 36 N -2.16 -0.01 0.10 0.00 2.00 0.03 -3.65 119.66 115.98 3k90 s GLN 36 Ca 0.10 0.34 -0.24 0.00 -2.00 0.00 0.00 55.36 53.57 3k90 s GLN 36 Cb -0.09 -0.30 -0.07 0.00 0.80 0.00 0.00 33.01 33.35 3k90 s GLN 36 CO 0.05 -0.23 0.73 0.50 -0.50 0.00 0.00 175.29 175.84 3k90 s ARG 37 N 1.57 4.47 -0.06 1.67 3.52 -1.26 -0.61 118.95 128.26 3k90 s ARG 37 Ca -0.04 1.04 0.01 0.00 -0.13 0.00 0.00 55.73 56.61 3k90 s ARG 37 Cb -0.12 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 3k90 s ARG 37 CO -0.04 0.48 -0.07 0.42 -0.81 0.00 0.00 175.30 175.28 3k90 s ILE 38 N -0.73 0.76 -1.26 4.11 1.01 0.84 -4.94 121.20 120.99 3k90 s ILE 38 Ca 0.35 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.68 3k90 s ILE 38 Cb -0.21 -0.76 0.18 0.00 0.01 0.00 0.00 42.46 41.68 3k90 s ILE 38 CO 0.24 0.28 1.82 1.41 0.00 0.00 0.00 174.94 178.68 3k90 n HIS 39 N 4.18 3.02 -3.48 3.97 8.25 -1.26 -1.44 115.22 128.45 3k90 n HIS 39 Ca -0.21 -2.81 -0.13 0.00 -0.26 0.00 0.00 57.72 54.31 3k90 n HIS 39 Cb 0.51 -1.90 -0.03 0.00 1.12 0.00 0.00 29.99 29.68 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 0.19 -1.52 0.47 -1.41 0.00 -1.26 -4.68 121.76 113.55 3k90 s ALA 40 Ca 0.39 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.69 3k90 s ALA 40 Cb 0.08 0.67 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 3k90 s ALA 40 CO 0.01 -0.66 1.23 -1.25 0.00 0.00 0.00 175.76 175.09 3k90 s PRO 41 N -3.20 3.64 0.32 0.00 0.04 -1.26 -3.60 135.00 130.95 3k90 s PRO 41 Ca -0.01 1.95 0.01 0.00 0.04 0.00 0.00 61.00 62.99 3k90 s PRO 41 Cb -0.00 -2.43 0.54 0.00 0.04 0.00 0.00 34.50 32.65 3k90 s PRO 41 CO -0.08 -0.69 1.92 -1.00 0.04 0.00 0.00 177.00 177.19 3k90 h PRO 42 N 2.02 0.78 -0.37 0.56 0.13 -1.90 -2.40 132.00 130.81 3k90 h PRO 42 Ca -0.50 -0.11 -0.05 0.00 -0.87 0.00 0.00 66.00 64.48 3k90 h PRO 42 Cb 1.26 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3k90 h PRO 42 CO 0.60 0.63 0.03 1.49 -0.23 0.00 0.00 178.00 180.51 3k90 h GLU 43 N 0.78 0.57 -0.01 0.86 4.57 -1.98 0.13 114.58 119.51 3k90 h GLU 43 Ca 0.19 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3k90 h GLU 43 Cb 0.12 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3k90 h GLU 43 CO -0.02 0.57 0.00 1.25 -1.18 0.00 0.00 179.01 179.63 3k90 h LEU 44 N 0.55 0.01 -0.31 1.64 5.85 -1.83 -0.83 115.31 120.40 3k90 h LEU 44 Ca 0.12 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3k90 h LEU 44 Cb 0.31 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3k90 h LEU 44 CO 0.01 0.27 0.17 0.58 -0.34 0.00 0.00 178.44 179.13 3k90 h VAL 45 N -0.26 1.02 -0.88 1.05 2.07 -1.13 -2.54 116.25 115.60 3k90 h VAL 45 Ca 0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3k90 h VAL 45 Cb 0.27 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3k90 h VAL 45 CO 0.00 0.07 0.50 -0.25 0.02 0.00 0.00 177.57 177.90 3k90 h TRP 46 N 0.36 1.19 -0.68 1.57 2.91 -0.72 -0.79 115.95 119.79 3k90 h TRP 46 Ca 0.12 -0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.28 3k90 h TRP 46 Cb 0.01 -0.38 -0.04 0.00 -0.51 0.00 0.00 29.16 28.24 3k90 h TRP 46 CO -0.08 0.81 0.47 0.66 -1.03 0.00 0.00 178.44 179.27 3k90 h SER 47 N 1.22 0.19 0.01 2.65 4.64 -0.71 0.92 113.55 122.46 3k90 h SER 47 Ca 0.31 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.61 3k90 h SER 47 Cb 0.00 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3k90 h SER 47 CO -0.05 0.09 -0.14 0.40 -0.87 0.00 0.00 176.83 176.26 3k90 h ILE 48 N 0.20 1.72 -0.82 0.95 2.04 -1.15 -3.37 117.51 117.07 3k90 h ILE 48 Ca 0.33 -2.35 0.04 0.00 1.00 0.00 0.00 64.86 63.88 3k90 h ILE 48 Cb 1.01 3.30 -0.05 0.00 -0.74 0.00 0.00 36.82 40.34 3k90 h ILE 48 CO -0.06 0.60 0.52 0.58 0.00 0.00 0.00 178.15 179.78 3k90 h VAL 49 N -0.96 1.10 0.00 1.67 2.07 -0.68 -2.69 116.25 116.76 3k90 h VAL 49 Ca -0.03 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3k90 h VAL 49 Cb 1.06 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3k90 h VAL 49 CO -0.01 0.18 0.00 -2.11 0.02 0.00 0.00 177.57 175.65 3k90 n ARG 50 N -4.60 0.08 -2.48 1.57 1.85 0.27 -4.56 116.66 108.78 3k90 n ARG 50 Ca 0.10 0.21 -0.40 0.00 -1.00 0.00 0.00 57.85 56.76 3k90 n ARG 50 Cb 0.11 -1.62 -0.02 0.00 -1.05 0.00 0.00 32.46 29.88 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 3.60 0.50 2.89 0.52 -1.02 -4.81 118.95 117.55 3k90 s ARG 51 Ca 0.09 -1.52 0.20 0.00 -0.52 0.00 0.00 55.73 53.98 3k90 s ARG 51 Cb 0.13 -5.42 1.26 0.00 0.52 0.00 0.00 34.95 31.43 3k90 s ARG 51 CO 0.41 -2.51 2.03 0.35 0.02 0.00 0.00 175.30 175.60 3k90 h PHE 52 N 8.76 0.13 0.00 -0.53 3.57 -1.89 -0.93 116.94 126.05 3k90 h PHE 52 Ca 0.32 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3k90 h PHE 52 Cb 0.93 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.63 3k90 h PHE 52 CO 1.34 0.06 -0.02 -0.40 -2.23 0.00 0.00 178.31 177.07 3k90 n ASP 53 N -4.44 0.32 -2.97 0.41 3.85 -1.26 -4.25 116.55 108.21 3k90 n ASP 53 Ca 0.07 0.51 -0.21 0.00 -0.71 0.00 0.00 54.79 54.45 3k90 n ASP 53 Cb 0.42 -0.59 -0.02 0.00 -1.35 0.00 0.00 41.12 39.57 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 -1.79 1.97 0.27 0.11 4.76 -0.36 -4.80 118.16 118.32 3k90 n LYS 54 Ca 0.06 -3.95 0.13 0.00 -2.87 0.00 0.00 58.31 51.68 3k90 n LYS 54 Cb 0.37 -1.87 0.78 0.00 -1.84 0.00 0.00 35.03 32.47 3k90 n LYS 54 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3k90 h PRO 55 N 2.95 0.00 0.00 1.97 0.13 -1.74 -3.04 132.00 132.27 3k90 h PRO 55 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3k90 h PRO 55 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 3k90 h PRO 55 CO 0.64 0.09 -0.02 1.96 -0.23 0.00 0.00 178.00 180.44 3k90 h GLN 56 N 0.00 0.00 -0.88 0.86 7.50 -1.90 -0.54 115.11 120.15 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 0.24 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.70 3k90 h GLN 56 CO 0.01 0.02 0.57 1.15 -1.50 0.00 0.00 178.83 179.08 3k90 h THR 57 N 0.00 0.98 0.00 -0.54 2.02 -1.95 -3.33 112.91 110.09 3k90 h THR 57 Ca -0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3k90 h THR 57 Cb 0.05 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 3k90 h THR 57 CO 0.00 0.16 -0.54 0.00 0.37 0.00 0.00 175.52 175.52 3k90 n TYR 58 N -4.52 0.00 -3.99 3.16 0.18 -0.73 -4.88 117.16 106.37 3k90 n TYR 58 Ca 0.15 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.64 3k90 n TYR 58 Cb 0.29 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.21 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 -1.50 3.18 0.31 -3.48 1.02 -0.29 -4.20 119.74 114.78 3k90 s LYS 59 Ca 0.00 -0.63 -0.00 0.00 0.02 0.00 0.00 55.97 55.35 3k90 s LYS 59 Cb 0.00 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 3k90 s LYS 59 CO 0.00 0.55 0.51 -1.01 -0.92 0.00 0.00 175.35 174.48 3k90 s HIS 60 N -1.58 3.49 -0.48 3.18 3.76 -1.26 -4.54 115.29 117.86 3k90 s HIS 60 Ca 0.33 0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 3k90 s HIS 60 Cb -0.12 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.67 3k90 s HIS 60 CO 0.26 0.19 0.00 1.19 -0.85 0.00 0.00 174.74 175.52 3k90 n PHE 61 N -1.43 0.00 -3.47 1.40 3.01 -1.26 -4.99 117.46 110.72 3k90 n PHE 61 Ca -0.04 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.03 3k90 n PHE 61 Cb 0.55 -1.18 -0.10 0.00 -0.01 0.00 0.00 39.48 38.74 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 5.23 -0.02 4.37 1.01 -1.26 -0.37 121.20 128.10 3k90 s ILE 62 Ca 0.00 0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.81 3k90 s ILE 62 Cb 0.00 -3.64 -0.24 0.00 0.01 0.00 0.00 42.46 38.59 3k90 s ILE 62 CO 0.00 0.18 1.06 0.50 0.00 0.00 0.00 174.94 176.68 3k90 h LYS 63 N 8.27 0.33 -2.87 2.79 3.64 -1.35 -3.48 116.57 123.90 3k90 h LYS 63 Ca -0.33 -0.36 0.01 0.00 -1.27 0.00 0.00 60.65 58.70 3k90 h LYS 63 Cb 1.17 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 32.97 3k90 h LYS 63 CO 0.61 1.05 0.26 -1.54 -2.27 0.00 0.00 179.45 177.56 3k90 s SER 64 N -6.62 -0.52 -0.05 4.20 1.04 -1.22 -5.03 113.70 105.51 3k90 s SER 64 Ca -0.14 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.26 3k90 s SER 64 Cb 0.02 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.74 3k90 s SER 64 CO 0.80 -0.92 -0.01 0.00 0.98 0.00 0.00 173.24 174.08 3k90 s SER 66 N 1.24 2.34 0.17 0.00 1.04 -0.69 -4.97 113.70 112.84 3k90 s SER 66 Ca -0.06 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 55.94 3k90 s SER 66 Cb -0.13 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.76 3k90 s SER 66 CO -0.02 0.19 0.05 1.33 0.98 0.00 0.00 173.24 175.77 3k90 n VAL 67 N 2.19 0.00 -1.79 5.02 0.24 -1.26 -0.75 118.33 121.97 3k90 n VAL 67 Ca -0.16 -0.95 -0.40 0.00 -2.04 0.00 0.00 64.34 60.78 3k90 n VAL 67 Cb 0.53 0.32 0.01 0.00 -1.47 0.00 0.00 33.84 33.24 3k90 n VAL 67 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3k90 s GLU 68 N -2.64 3.89 0.60 7.34 2.02 -1.26 -4.99 118.70 123.66 3k90 s GLU 68 Ca 0.07 2.51 -0.19 0.00 0.02 0.00 0.00 54.97 57.38 3k90 s GLU 68 Cb 0.00 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 3k90 s GLU 68 CO 0.05 -0.69 1.03 0.00 0.02 0.00 0.00 175.26 175.68 3k90 n GLN 69 N 0.12 0.98 -3.84 1.61 10.64 -1.26 -2.95 117.38 122.68 3k90 n GLN 69 Ca 0.03 0.38 -0.34 0.00 -1.83 0.00 0.00 57.00 55.23 3k90 n GLN 69 Cb 0.40 -2.24 0.02 0.00 -0.86 0.00 0.00 30.24 27.57 3k90 n GLN 69 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 3k90 n ASN 70 N -0.91 -4.11 -4.66 2.61 0.23 -1.26 -4.79 115.26 102.37 3k90 n ASN 70 Ca 0.14 -1.09 -0.42 0.00 -0.53 0.00 0.00 54.58 52.67 3k90 n ASN 70 Cb 0.47 -2.86 -0.03 0.00 -2.08 0.00 0.00 39.78 35.28 3k90 n ASN 70 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3k90 s PHE 71 N -3.58 1.94 -0.32 -2.53 5.36 -1.15 -4.99 117.98 112.71 3k90 s PHE 71 Ca 0.40 0.14 -0.03 0.00 -0.96 0.00 0.00 56.93 56.47 3k90 s PHE 71 Cb -0.17 -3.95 0.05 0.00 -0.34 0.00 0.00 43.02 38.62 3k90 s PHE 71 CO 0.90 -4.01 0.05 -1.21 -1.46 0.00 0.00 175.22 169.49 3k90 s GLU 72 N 4.00 2.47 -0.20 10.12 2.02 -1.26 -5.09 118.70 130.76 3k90 s GLU 72 Ca 0.75 -1.27 -0.29 0.00 0.02 0.00 0.00 54.97 54.18 3k90 s GLU 72 Cb -0.34 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.57 3k90 s GLU 72 CO 0.31 -0.66 1.28 1.41 0.02 0.00 0.00 175.26 177.62 3k90 s MET 73 N 1.30 4.14 0.18 1.61 1.75 -1.26 -5.00 119.30 122.02 3k90 s MET 73 Ca -0.03 1.55 -0.17 0.00 -1.25 0.00 0.00 55.69 55.79 3k90 s MET 73 Cb -0.20 -3.80 0.03 0.00 2.84 0.00 0.00 34.83 33.70 3k90 s MET 73 CO 0.00 -0.83 0.49 -0.98 -0.65 0.00 0.00 175.02 173.05 3k90 s ARG 74 N 3.71 1.31 0.38 4.11 1.70 -1.26 -5.12 118.95 123.77 3k90 s ARG 74 Ca 0.56 -0.83 -0.27 0.00 -0.47 0.00 0.00 55.73 54.72 3k90 s ARG 74 Cb -0.20 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.59 3k90 s ARG 74 CO 0.17 -0.54 1.33 0.14 -1.08 0.00 0.00 175.30 175.32 3k90 s VAL 75 N -3.86 2.56 0.00 4.99 -7.23 -1.26 -2.59 120.40 113.01 3k90 s VAL 75 Ca 0.08 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 3k90 s VAL 75 Cb -0.00 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.62 3k90 s VAL 75 CO -0.05 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 3k90 n GLY 76 N 0.68 3.29 3.76 2.32 0.00 0.01 -5.02 105.19 110.23 3k90 n GLY 76 Ca 0.02 0.00 -0.33 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 -2.44 1.88 0.06 0.00 -4.23 -1.26 -1.05 115.64 108.59 3k90 s THR 78 Ca 0.67 -2.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.12 3k90 s THR 78 Cb -0.21 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 3k90 s THR 78 CO 0.47 -0.43 -0.12 0.00 -0.54 0.00 0.00 174.62 173.99 3k90 s ARG 79 N -3.21 0.72 -0.28 3.99 1.70 -0.09 -4.53 118.95 117.25 3k90 s ARG 79 Ca 0.20 -0.89 -0.08 0.00 -0.47 0.00 0.00 55.73 54.49 3k90 s ARG 79 Cb -0.04 -0.64 -0.02 0.00 -0.57 0.00 0.00 34.95 33.68 3k90 s ARG 79 CO 0.08 0.14 0.11 -0.51 -1.08 0.00 0.00 175.30 174.03 3k90 s ASP 80 N -1.68 5.34 -0.32 -2.89 1.11 0.07 -1.46 116.67 116.85 3k90 s ASP 80 Ca -0.05 -0.34 -0.10 0.00 0.18 0.00 0.00 52.55 52.24 3k90 s ASP 80 Cb -0.10 -1.96 -0.00 0.00 1.07 0.00 0.00 42.92 41.93 3k90 s ASP 80 CO 0.02 -0.10 0.16 -0.69 1.18 0.00 0.00 175.17 175.73 3k90 s VAL 81 N 1.62 4.61 -0.38 -1.27 1.01 0.82 -1.70 120.40 125.11 3k90 s VAL 81 Ca 0.05 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.32 3k90 s VAL 81 Cb -0.16 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3k90 s VAL 81 CO 0.05 0.03 0.87 -0.63 0.00 0.00 0.00 175.10 175.42 3k90 s ILE 82 N 1.61 4.63 0.06 2.22 -1.09 -0.63 -0.83 121.20 127.16 3k90 s ILE 82 Ca 0.04 1.03 0.03 0.00 -2.23 0.00 0.00 60.65 59.52 3k90 s ILE 82 Cb -0.17 -4.30 -0.04 0.00 -1.58 0.00 0.00 42.46 36.37 3k90 s ILE 82 CO 0.06 -0.53 0.01 0.68 -1.23 0.00 0.00 174.94 173.93 3k90 s VAL 83 N 3.37 4.13 -0.45 2.92 -7.23 0.16 -0.87 120.40 122.43 3k90 s VAL 83 Ca 0.35 -0.82 0.08 0.00 -1.81 0.00 0.00 61.98 59.79 3k90 s VAL 83 Cb -0.12 -2.93 0.22 0.00 0.56 0.00 0.00 36.38 34.11 3k90 s VAL 83 CO 0.19 0.21 1.17 0.00 -0.31 0.00 0.00 175.10 176.36 3k90 n ILE 84 N 0.85 1.20 0.74 -0.62 0.13 0.50 -1.73 119.36 120.43 3k90 n ILE 84 Ca -0.12 -1.18 0.12 0.00 -1.10 0.00 0.00 62.75 60.47 3k90 n ILE 84 Cb 0.52 0.37 0.29 0.00 -0.84 0.00 0.00 39.64 39.98 3k90 n ILE 84 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 3k90 n SER 85 N -0.10 0.58 -4.76 9.51 3.41 -1.26 -4.58 113.62 116.43 3k90 n SER 85 Ca 0.09 0.17 -0.35 0.00 -0.26 0.00 0.00 58.87 58.52 3k90 n SER 85 Cb 0.43 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 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 -3.40 1.97 0.06 5.00 0.00 -1.26 -5.06 107.32 104.62 3k90 s GLY 86 Ca 0.09 -0.77 0.10 0.00 0.00 0.00 0.00 44.72 44.15 3k90 s GLY 86 CO 0.67 -0.54 1.02 -2.00 0.00 0.00 0.00 173.10 172.25 3k90 h LEU 87 N 4.96 0.00 -7.99 0.66 5.85 -1.91 -3.22 115.31 113.65 3k90 h LEU 87 Ca -0.52 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 57.63 3k90 h LEU 87 Cb 1.20 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 3k90 h LEU 87 CO 0.56 0.96 1.70 -2.84 -0.34 0.00 0.00 178.44 178.48 3k90 s PRO 88 N -2.69 3.54 0.01 5.25 0.02 -1.26 -4.94 135.00 134.93 3k90 s PRO 88 Ca -0.01 -1.45 -0.24 0.00 0.02 0.00 0.00 61.00 59.32 3k90 s PRO 88 Cb 0.09 -5.40 -0.12 0.00 0.02 0.00 0.00 34.50 29.09 3k90 s PRO 88 CO 0.82 -2.56 0.62 0.00 -0.33 0.00 0.00 177.00 175.55 3k90 n ALA 89 N 9.82 -2.38 -2.77 -1.55 0.00 -1.22 -4.93 120.51 117.47 3k90 n ALA 89 Ca 0.42 0.35 -0.26 0.00 0.00 0.00 0.00 53.44 53.95 3k90 n ALA 89 Cb 0.48 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 3k90 n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k90 s ASN 90 N -0.03 5.38 -0.02 0.00 4.22 -0.71 -4.93 114.94 118.85 3k90 s ASN 90 Ca 0.54 -0.18 0.04 0.00 -2.14 0.00 0.00 52.86 51.13 3k90 s ASN 90 Cb -0.75 -1.36 -0.03 0.00 1.28 0.00 0.00 41.25 40.39 3k90 s ASN 90 CO 0.34 0.08 -0.14 0.28 -2.04 0.00 0.00 177.10 175.62 3k90 s THR 91 N -1.74 3.11 -0.12 0.54 -1.32 -1.26 0.38 115.64 115.24 3k90 s THR 91 Ca 0.30 -0.85 0.03 0.00 -1.21 0.00 0.00 61.69 59.96 3k90 s THR 91 Cb -0.10 -2.27 0.01 0.00 -1.51 0.00 0.00 72.50 68.63 3k90 s THR 91 CO 0.22 0.49 -0.20 -0.55 -2.21 0.00 0.00 174.62 172.38 3k90 s SER 92 N -1.05 2.82 -0.24 8.08 0.15 -0.01 -3.22 113.70 120.24 3k90 s SER 92 Ca 0.13 -0.52 -0.13 0.00 0.70 0.00 0.00 55.95 56.13 3k90 s SER 92 Cb -0.11 -1.29 -0.04 0.00 -1.71 0.00 0.00 66.02 62.87 3k90 s SER 92 CO 0.03 0.07 0.29 -0.89 1.20 0.00 0.00 173.24 173.94 3k90 s THR 93 N 0.77 5.26 -0.00 6.45 2.01 -0.17 -0.13 115.64 129.83 3k90 s THR 93 Ca -0.10 0.43 0.06 0.00 0.31 0.00 0.00 61.69 62.40 3k90 s THR 93 Cb -0.16 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 3k90 s THR 93 CO 0.01 0.25 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.40 3k90 s GLU 94 N 1.51 1.43 -0.10 4.92 2.02 -0.53 -0.54 118.70 127.40 3k90 s GLU 94 Ca 0.13 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.42 3k90 s GLU 94 Cb -0.15 -1.41 -0.02 0.00 0.10 0.00 0.00 34.13 32.65 3k90 s GLU 94 CO 0.08 0.38 -0.11 0.50 0.02 0.00 0.00 175.26 176.13 3k90 s ARG 95 N -0.59 3.07 -0.28 1.61 3.52 0.40 -0.92 118.95 125.76 3k90 s ARG 95 Ca 0.07 -0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 54.73 3k90 s ARG 95 Cb -0.07 -2.59 -0.01 0.00 -1.56 0.00 0.00 34.95 30.72 3k90 s ARG 95 CO -0.00 0.41 1.39 -1.17 -0.81 0.00 0.00 175.30 175.12 3k90 s LEU 96 N -0.14 3.87 -0.10 -0.88 0.20 -0.22 -1.04 118.68 120.37 3k90 s LEU 96 Ca -0.00 1.31 0.00 0.00 0.69 0.00 0.00 54.13 56.13 3k90 s LEU 96 Cb -0.13 -3.54 -0.25 0.00 -0.43 0.00 0.00 46.19 41.84 3k90 s LEU 96 CO 0.03 -1.15 0.43 0.47 -0.29 0.00 0.00 176.35 175.84 3k90 n ASP 97 N 7.91 1.68 -3.80 3.68 8.00 0.92 -0.81 116.55 134.12 3k90 n ASP 97 Ca 0.16 0.25 -0.13 0.00 0.71 0.00 0.00 54.79 55.79 3k90 n ASP 97 Cb 0.46 -0.55 -0.13 0.00 -0.02 0.00 0.00 41.12 40.88 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 -2.57 -0.01 -0.19 0.53 1.01 -0.99 -4.84 121.20 114.14 3k90 s ILE 98 Ca -0.17 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 3k90 s ILE 98 Cb 0.07 -0.21 0.09 0.00 0.01 0.00 0.00 42.46 42.42 3k90 s ILE 98 CO 0.78 0.02 0.24 -0.22 0.00 0.00 0.00 174.94 175.76 3k90 s LEU 99 N 0.39 -0.19 -0.28 2.97 2.96 -1.25 -2.45 118.68 120.84 3k90 s LEU 99 Ca -0.03 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3k90 s LEU 99 Cb -0.04 0.50 0.08 0.00 0.50 0.00 0.00 46.19 47.23 3k90 s LEU 99 CO -0.02 -0.31 0.03 -0.62 -1.32 0.00 0.00 176.35 174.12 3k90 s ASP 100 N 2.36 4.00 0.32 3.68 -1.08 0.24 -4.98 116.67 121.21 3k90 s ASP 100 Ca 0.06 -1.50 0.15 0.00 -0.52 0.00 0.00 52.55 50.74 3k90 s ASP 100 Cb -0.15 -1.09 0.51 0.00 -1.46 0.00 0.00 42.92 40.73 3k90 s ASP 100 CO -0.11 -0.34 1.67 0.44 0.52 0.00 0.00 175.17 177.35 3k90 h ASP 101 N 7.97 0.00 -0.43 -0.34 3.32 -1.97 0.88 116.42 125.84 3k90 h ASP 101 Ca -0.13 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.77 3k90 h ASP 101 Cb 1.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3k90 h ASP 101 CO 0.45 0.49 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.84 3k90 h GLU 102 N 0.00 0.96 -0.09 3.56 4.39 -1.97 -3.26 114.58 118.17 3k90 h GLU 102 Ca -0.00 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3k90 h GLU 102 Cb 1.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3k90 h GLU 102 CO 0.06 1.12 0.00 0.54 -1.16 0.00 0.00 179.01 179.57 3k90 n ARG 103 N -4.11 1.67 -3.33 2.33 1.74 -1.20 -5.01 116.66 108.76 3k90 n ARG 103 Ca -0.01 -1.68 -0.17 0.00 -0.77 0.00 0.00 57.85 55.22 3k90 n ARG 103 Cb 0.49 -1.36 0.07 0.00 -1.02 0.00 0.00 32.46 30.65 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 1.04 -3.39 -4.38 5.56 1.74 0.26 -4.74 116.66 112.74 3k90 n ARG 104 Ca 0.12 0.84 -0.22 0.00 -0.77 0.00 0.00 57.85 57.82 3k90 n ARG 104 Cb 0.46 -5.74 -0.16 0.00 -1.02 0.00 0.00 32.46 26.00 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 -3.40 0.81 0.08 1.55 1.01 -0.97 -1.79 120.40 117.70 3k90 s VAL 105 Ca 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 3k90 s VAL 105 Cb -0.05 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3k90 s VAL 105 CO 0.75 0.28 0.00 0.28 0.00 0.00 0.00 175.10 176.40 3k90 s THR 106 N 0.61 0.18 -0.05 3.92 -1.32 -0.69 -0.59 115.64 117.69 3k90 s THR 106 Ca -0.10 -1.85 -0.30 0.00 -1.21 0.00 0.00 61.69 58.23 3k90 s THR 106 Cb -0.13 -1.71 0.11 0.00 -1.51 0.00 0.00 72.50 69.25 3k90 s THR 106 CO 0.02 -0.80 0.96 -0.83 -2.21 0.00 0.00 174.62 171.75 3k90 s GLY 107 N -2.97 -0.43 0.11 6.08 0.00 -1.02 -0.35 107.32 108.74 3k90 s GLY 107 Ca 0.13 1.15 -0.05 0.00 0.00 0.00 0.00 44.72 45.95 3k90 s GLY 107 CO -0.06 0.38 0.13 -0.11 0.00 0.00 0.00 173.10 173.45 3k90 s PHE 108 N -2.96 0.47 0.06 1.90 -0.12 -0.63 -0.06 117.98 116.65 3k90 s PHE 108 Ca 0.06 -0.90 0.08 0.00 -0.05 0.00 0.00 56.93 56.13 3k90 s PHE 108 Cb -0.01 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.12 3k90 s PHE 108 CO -0.08 -0.55 -0.22 -1.12 -0.05 0.00 0.00 175.22 173.20 3k90 s SER 109 N -2.95 2.69 -0.30 1.98 0.01 -0.21 -1.08 113.70 113.84 3k90 s SER 109 Ca 0.13 -0.59 -0.25 0.00 1.31 0.00 0.00 55.95 56.56 3k90 s SER 109 Cb 0.06 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.08 3k90 s SER 109 CO -0.05 0.16 0.86 -0.63 0.41 0.00 0.00 173.24 173.99 3k90 s ILE 110 N -0.90 4.74 -0.44 1.44 1.01 -0.42 -0.46 121.20 126.18 3k90 s ILE 110 Ca 0.09 1.35 0.12 0.00 0.00 0.00 0.00 60.65 62.20 3k90 s ILE 110 Cb -0.09 -4.20 -0.14 0.00 0.01 0.00 0.00 42.46 38.04 3k90 s ILE 110 CO 0.03 -0.28 0.44 2.30 0.00 0.00 0.00 174.94 177.43 3k90 n ILE 111 N 5.57 0.00 -3.55 2.92 -5.35 0.30 -4.48 119.36 114.77 3k90 n ILE 111 Ca 0.06 -0.24 -0.09 0.00 -0.27 0.00 0.00 62.75 62.21 3k90 n ILE 111 Cb 0.48 0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 39.20 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 -2.35 -0.45 0.00 3.28 0.00 -1.08 -4.96 107.32 101.76 3k90 s GLY 112 Ca 0.03 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.31 3k90 s GLY 112 CO 0.48 0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.37 3k90 n GLY 113 N -0.35 -1.32 0.34 0.20 0.00 -1.26 -1.00 105.19 101.80 3k90 n GLY 113 Ca -0.11 -2.08 -0.04 0.00 0.00 0.00 0.00 46.02 43.80 3k90 n GLY 113 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3k90 h GLU 114 N 0.13 1.13 -0.53 1.61 4.11 -1.96 -2.93 114.58 116.13 3k90 h GLU 114 Ca 0.00 -0.16 -0.17 0.00 0.07 0.00 0.00 59.36 59.10 3k90 h GLU 114 Cb 0.00 -0.20 -0.10 0.00 0.50 0.00 0.00 28.75 28.94 3k90 h GLU 114 CO 0.00 0.87 0.14 0.72 0.07 0.00 0.00 179.01 180.81 3k90 n HIS 115 N -4.31 1.76 -0.22 2.06 8.25 -1.26 -4.59 115.22 116.91 3k90 n HIS 115 Ca 0.08 -1.26 0.14 0.00 -0.26 0.00 0.00 57.72 56.42 3k90 n HIS 115 Cb 0.14 -0.56 0.45 0.00 1.12 0.00 0.00 29.99 31.15 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 1.91 0.51 0.00 -0.41 9.65 -1.75 -1.92 114.38 122.37 3k90 h ARG 116 Ca 0.21 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 3k90 h ARG 116 Cb 1.97 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.43 3k90 h ARG 116 CO 0.54 0.34 0.00 -0.07 2.80 0.00 0.00 179.97 183.58 3k90 h LEU 117 N 0.53 0.00 -1.04 3.80 3.38 -1.84 -2.82 115.31 117.31 3k90 h LEU 117 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3k90 h LEU 117 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3k90 h LEU 117 CO -0.16 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.08 3k90 h THR 118 N 0.00 0.00 -6.68 0.22 1.35 -1.70 -3.46 112.91 102.65 3k90 h THR 118 Ca 0.00 -0.35 -0.54 0.00 -0.55 0.00 0.00 66.41 64.97 3k90 h THR 118 Cb 0.41 1.21 -0.12 0.00 -1.73 0.00 0.00 68.15 67.91 3k90 h THR 118 CO 0.00 0.00 -0.89 0.59 -0.25 0.00 0.00 175.52 174.97 3k90 n ASN 119 N -2.62 -0.73 -4.72 5.36 5.03 -1.07 -0.23 115.26 116.28 3k90 n ASN 119 Ca 0.01 -1.06 -0.42 0.00 0.87 0.00 0.00 54.58 53.98 3k90 n ASN 119 Cb 0.26 -2.68 -0.03 0.00 -1.02 0.00 0.00 39.78 36.31 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 -3.89 3.36 -0.06 3.10 6.14 -1.26 -4.47 117.35 120.28 3k90 s TYR 120 Ca 0.18 1.25 -0.04 0.00 0.64 0.00 0.00 57.07 59.10 3k90 s TYR 120 Cb -0.10 -3.51 0.03 0.00 0.42 0.00 0.00 41.96 38.80 3k90 s TYR 120 CO 0.92 -1.60 0.14 0.21 0.64 0.00 0.00 175.55 175.86 3k90 s LYS 121 N 0.48 0.12 0.07 4.97 2.20 -0.58 -1.30 119.74 125.70 3k90 s LYS 121 Ca 0.58 0.28 0.03 0.00 -0.36 0.00 0.00 55.97 56.50 3k90 s LYS 121 Cb -0.33 -0.05 -0.03 0.00 -1.51 0.00 0.00 37.83 35.90 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 0.64 1.14 -0.02 1.43 0.15 -0.24 -0.73 113.70 116.06 3k90 s SER 122 Ca -0.05 -0.68 0.02 0.00 0.70 0.00 0.00 55.95 55.94 3k90 s SER 122 Cb -0.06 0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 3k90 s SER 122 CO -0.03 -0.24 -0.06 -0.69 1.20 0.00 0.00 173.24 173.42 3k90 s VAL 123 N -1.93 0.59 -0.08 4.45 1.01 -0.42 -1.61 120.40 122.41 3k90 s VAL 123 Ca -0.02 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3k90 s VAL 123 Cb -0.06 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 3k90 s VAL 123 CO -0.00 0.20 -0.24 -0.89 0.00 0.00 0.00 175.10 174.17 3k90 s THR 124 N 0.33 2.04 0.08 3.92 2.01 0.53 -0.91 115.64 123.63 3k90 s THR 124 Ca -0.04 -1.03 0.07 0.00 0.31 0.00 0.00 61.69 61.00 3k90 s THR 124 Cb -0.09 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 3k90 s THR 124 CO 0.00 0.56 -0.18 0.42 -0.69 0.00 0.00 174.62 174.73 3k90 s THR 125 N 0.12 1.49 -0.10 -0.82 -4.23 0.54 -1.70 115.64 110.94 3k90 s THR 125 Ca -0.12 -1.35 0.04 0.00 -1.18 0.00 0.00 61.69 59.07 3k90 s THR 125 Cb -0.16 -1.36 -0.00 0.00 1.34 0.00 0.00 72.50 72.32 3k90 s THR 125 CO 0.07 -0.04 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.19 3k90 s VAL 126 N -1.07 2.20 -0.05 2.29 1.01 -0.74 -1.06 120.40 122.97 3k90 s VAL 126 Ca 0.04 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3k90 s VAL 126 Cb -0.09 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.45 3k90 s VAL 126 CO 0.03 0.56 -0.14 -1.00 0.00 0.00 0.00 175.10 174.55 3k90 s HIS 127 N 0.28 1.49 -0.03 5.22 3.76 0.08 -4.78 115.29 121.31 3k90 s HIS 127 Ca -0.16 -0.49 -0.20 0.00 -0.15 0.00 0.00 55.06 54.05 3k90 s HIS 127 Cb -0.17 -1.06 -0.05 0.00 1.11 0.00 0.00 32.58 32.41 3k90 s HIS 127 CO 0.08 -0.22 0.57 0.50 -0.85 0.00 0.00 174.74 174.82 3k90 s ARG 128 N 0.39 4.31 0.02 1.40 3.52 -1.26 -1.34 118.95 125.98 3k90 s ARG 128 Ca -0.10 0.67 0.07 0.00 -0.13 0.00 0.00 55.73 56.24 3k90 s ARG 128 Cb -0.13 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.88 3k90 s ARG 128 CO 0.03 0.33 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.59 3k90 s PHE 129 N -0.02 1.77 -0.06 5.12 0.08 -0.04 -4.97 117.98 119.86 3k90 s PHE 129 Ca 0.30 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 56.97 3k90 s PHE 129 Cb -0.17 -1.09 0.04 0.00 -0.57 0.00 0.00 43.02 41.22 3k90 s PHE 129 CO 0.16 0.03 0.11 -2.00 -0.10 0.00 0.00 175.22 173.43 3k90 s GLU 130 N -0.85 -0.00 -0.20 0.44 2.12 -1.26 -1.45 118.70 117.50 3k90 s GLU 130 Ca 0.07 0.44 -0.04 0.00 0.36 0.00 0.00 54.97 55.81 3k90 s GLU 130 Cb -0.08 -0.33 0.09 0.00 0.26 0.00 0.00 34.13 34.07 3k90 s GLU 130 CO 0.01 -0.28 0.23 0.21 -0.54 0.00 0.00 175.26 174.88 3k90 s LYS 131 N 1.99 0.19 -0.35 4.30 2.20 -0.81 -4.87 119.74 122.39 3k90 s LYS 131 Ca 0.01 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 3k90 s LYS 131 Cb -0.12 -1.08 0.00 0.00 -1.51 0.00 0.00 37.83 35.12 3k90 s LYS 131 CO -0.05 -0.62 0.00 0.39 -0.36 0.00 0.00 175.35 174.71 3k90 n GLU 132 N 5.32 -0.27 0.00 4.03 1.02 -1.26 -3.20 120.64 126.28 3k90 n GLU 132 Ca -0.05 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 3k90 n GLU 132 Cb 0.50 -4.18 0.00 0.00 -0.02 0.00 0.00 31.44 27.73 3k90 n GLU 132 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3k90 n ASN 133 N 1.21 0.00 -4.89 1.62 4.13 -1.26 -5.06 115.26 111.01 3k90 n ASN 133 Ca -0.03 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.91 3k90 n ASN 133 Cb 0.12 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.31 3k90 n ASN 133 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3k90 s ARG 134 N -0.91 3.66 -0.09 3.52 0.52 -1.19 -5.05 118.95 119.41 3k90 s ARG 134 Ca 0.00 -0.01 0.04 0.00 -0.52 0.00 0.00 55.73 55.24 3k90 s ARG 134 Cb 0.00 -2.82 -0.00 0.00 0.52 0.00 0.00 34.95 32.65 3k90 s ARG 134 CO 0.00 0.44 -0.22 0.42 0.02 0.00 0.00 175.30 175.96 3k90 s ILE 135 N -1.68 1.91 0.26 1.52 1.01 -1.26 -1.93 121.20 121.04 3k90 s ILE 135 Ca 0.42 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3k90 s ILE 135 Cb -0.12 -1.65 -0.00 0.00 0.01 0.00 0.00 42.46 40.69 3k90 s ILE 135 CO 0.24 0.53 0.32 -2.67 0.00 0.00 0.00 174.94 173.35 3k90 n TRP 136 N 3.44 -1.01 -4.47 3.97 2.14 -0.53 -4.61 117.44 116.38 3k90 n TRP 136 Ca -0.19 -1.86 -0.20 0.00 2.07 0.00 0.00 57.50 57.32 3k90 n TRP 136 Cb 0.53 0.35 -0.15 0.00 -0.81 0.00 0.00 31.31 31.23 3k90 n TRP 136 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 3k90 s THR 137 N -2.81 0.85 -0.07 -1.67 2.01 -0.52 -0.86 115.64 112.57 3k90 s THR 137 Ca 0.24 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.83 3k90 s THR 137 Cb -0.00 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 3k90 s THR 137 CO 0.17 0.24 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.42 3k90 s VAL 138 N -0.24 2.17 -0.17 3.82 1.01 -0.45 -0.11 120.40 126.44 3k90 s VAL 138 Ca 0.04 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 3k90 s VAL 138 Cb -0.04 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3k90 s VAL 138 CO -0.00 0.57 0.04 -0.69 0.00 0.00 0.00 175.10 175.02 3k90 s VAL 139 N -0.05 4.63 -0.14 2.92 1.01 0.22 -0.74 120.40 128.24 3k90 s VAL 139 Ca -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3k90 s VAL 139 Cb -0.15 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3k90 s VAL 139 CO 0.05 0.49 -0.05 -0.76 0.00 0.00 0.00 175.10 174.82 3k90 s LEU 140 N 0.20 3.18 -0.07 3.92 1.43 -0.23 -0.79 118.68 126.33 3k90 s LEU 140 Ca 0.03 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3k90 s LEU 140 Cb -0.13 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.37 3k90 s LEU 140 CO 0.01 0.20 -0.07 -0.70 0.23 0.00 0.00 176.35 176.01 3k90 s GLU 141 N 0.19 1.26 0.24 1.70 2.12 -0.60 -0.34 118.70 123.28 3k90 s GLU 141 Ca -0.03 -0.22 0.07 0.00 0.36 0.00 0.00 54.97 55.16 3k90 s GLU 141 Cb -0.14 -1.23 -0.05 0.00 0.26 0.00 0.00 34.13 32.97 3k90 s GLU 141 CO 0.03 -0.12 -0.10 -1.54 -0.54 0.00 0.00 175.26 172.99 3k90 s SER 142 N 1.15 2.70 0.15 -1.70 1.04 -0.09 -0.89 113.70 116.06 3k90 s SER 142 Ca -0.06 -1.11 -0.10 0.00 0.48 0.00 0.00 55.95 55.16 3k90 s SER 142 Cb -0.14 -0.16 -0.00 0.00 0.10 0.00 0.00 66.02 65.82 3k90 s SER 142 CO -0.01 -0.25 0.30 -0.72 0.98 0.00 0.00 173.24 173.53 3k90 s TYR 143 N -2.98 0.25 -0.02 5.02 -0.85 -0.78 -1.30 117.35 116.69 3k90 s TYR 143 Ca 0.26 -0.62 0.04 0.00 -0.52 0.00 0.00 57.07 56.24 3k90 s TYR 143 Cb 0.01 0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.36 3k90 s TYR 143 CO 0.10 -0.70 -0.15 0.54 -1.52 0.00 0.00 175.55 173.82 3k90 s VAL 144 N -3.92 1.20 0.03 -3.49 0.11 0.09 -1.58 120.40 112.84 3k90 s VAL 144 Ca 0.13 -0.64 -0.03 0.00 -2.93 0.00 0.00 61.98 58.51 3k90 s VAL 144 Cb 0.03 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 3k90 s VAL 144 CO -0.04 0.34 0.04 0.68 -3.33 0.00 0.00 175.10 172.80 3k90 s VAL 145 N -0.27 0.14 0.37 2.04 -7.23 -0.70 -1.53 120.40 113.23 3k90 s VAL 145 Ca 0.04 -1.16 -0.27 0.00 -1.81 0.00 0.00 61.98 58.78 3k90 s VAL 145 Cb -0.07 -0.83 -0.09 0.00 0.56 0.00 0.00 36.38 35.95 3k90 s VAL 145 CO -0.00 -0.64 1.25 -1.81 -0.31 0.00 0.00 175.10 173.59 3k90 s ASP 146 N -2.07 6.57 0.45 4.85 1.01 0.68 -1.27 116.67 126.89 3k90 s ASP 146 Ca -0.06 2.55 -0.20 0.00 0.71 0.00 0.00 52.55 55.55 3k90 s ASP 146 Cb -0.02 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 3k90 s ASP 146 CO -0.04 -0.66 0.97 -0.04 0.21 0.00 0.00 175.17 175.61 3k90 s MET 147 N -2.06 4.09 0.00 8.23 -1.94 0.14 -4.87 119.30 122.89 3k90 s MET 147 Ca 0.54 1.15 0.00 0.00 -1.71 0.00 0.00 55.69 55.67 3k90 s MET 147 Cb -0.36 -2.15 0.00 0.00 2.01 0.00 0.00 34.83 34.33 3k90 s MET 147 CO 0.47 -0.15 0.00 -0.35 -0.01 0.00 0.00 175.02 174.97 3k90 n PRO 148 N -0.84 0.00 0.00 2.03 -0.04 -1.26 -4.91 135.00 129.98 3k90 n PRO 148 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3k90 n PRO 148 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 3k90 n PRO 148 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3k90 n ASP 154 N 0.00 0.00 -4.51 3.54 5.68 -1.26 -5.18 116.55 114.82 3k90 n ASP 154 Ca 0.00 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.87 3k90 n ASP 154 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 3k90 n ASP 154 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3k90 s ASP 155 N 0.00 6.26 -0.19 -1.12 -1.08 -1.26 -4.88 116.67 114.40 3k90 s ASP 155 Ca 0.00 -0.52 0.16 0.00 -0.52 0.00 0.00 52.55 51.67 3k90 s ASP 155 Cb 0.00 -2.47 0.65 0.00 -1.46 0.00 0.00 42.92 39.64 3k90 s ASP 155 CO 0.00 -1.46 1.56 0.35 0.52 0.00 0.00 175.17 176.14 3k90 n THR 156 N 6.21 2.40 0.14 1.71 -2.24 -1.26 -4.59 114.28 116.65 3k90 n THR 156 Ca 0.01 -1.62 0.02 0.00 -2.27 0.00 0.00 64.05 60.19 3k90 n THR 156 Cb 0.47 -0.21 0.11 0.00 -2.10 0.00 0.00 70.33 68.60 3k90 n THR 156 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3k90 h ARG 157 N 2.81 0.00 -0.49 -0.78 -0.00 -1.97 -1.67 114.38 112.28 3k90 h ARG 157 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.38 3k90 h ARG 157 Cb 1.63 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.58 3k90 h ARG 157 CO 0.32 0.54 -0.09 1.98 0.00 0.00 0.00 179.97 182.72 3k90 h MET 158 N 0.00 0.88 -0.19 0.04 4.05 -2.00 -1.37 114.93 116.34 3k90 h MET 158 Ca -0.01 -0.29 -0.02 0.00 -0.28 0.00 0.00 59.70 59.10 3k90 h MET 158 Cb 1.28 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 3k90 h MET 158 CO 0.07 0.93 0.04 0.35 0.23 0.00 0.00 176.91 178.53 3k90 h PHE 159 N 0.79 0.32 -0.55 1.39 3.57 -1.84 -1.19 116.94 119.44 3k90 h PHE 159 Ca 0.13 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.70 3k90 h PHE 159 Cb 0.60 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.16 3k90 h PHE 159 CO 0.03 0.43 0.03 0.00 -2.23 0.00 0.00 178.31 176.58 3k90 h ALA 160 N 0.84 0.56 -0.51 2.41 0.00 -1.18 0.22 119.26 121.60 3k90 h ALA 160 Ca 0.06 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3k90 h ALA 160 Cb 0.28 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3k90 h ALA 160 CO 0.00 -0.37 0.17 -0.44 0.00 0.00 0.00 179.25 178.61 3k90 h ASP 161 N 0.15 0.74 -0.13 0.00 3.32 -1.14 -2.03 116.42 117.32 3k90 h ASP 161 Ca 0.28 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3k90 h ASP 161 Cb 0.43 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3k90 h ASP 161 CO -0.44 0.74 0.09 0.74 -1.72 0.00 0.00 179.24 178.65 3k90 h THR 162 N 0.69 1.04 -0.41 0.35 2.02 -0.56 -1.42 112.91 114.62 3k90 h THR 162 Ca 0.17 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 3k90 h THR 162 Cb 0.26 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3k90 h THR 162 CO -0.01 0.04 -0.09 0.58 0.37 0.00 0.00 175.52 176.41 3k90 h VAL 163 N 0.17 1.25 -0.33 3.16 2.07 -0.57 -0.80 116.25 121.20 3k90 h VAL 163 Ca 0.05 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 3k90 h VAL 163 Cb -0.01 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3k90 h VAL 163 CO -0.01 0.37 0.10 0.58 0.02 0.00 0.00 177.57 178.63 3k90 h VAL 164 N 0.64 1.21 -0.33 2.57 2.07 -1.16 0.27 116.25 121.52 3k90 h VAL 164 Ca 0.12 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3k90 h VAL 164 Cb 0.53 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3k90 h VAL 164 CO 0.03 0.23 0.17 0.11 0.02 0.00 0.00 177.57 178.13 3k90 h LYS 165 N 0.39 0.35 -0.63 1.57 1.57 -0.90 -1.69 116.57 117.23 3k90 h LYS 165 Ca 0.11 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3k90 h LYS 165 Cb 0.25 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3k90 h LYS 165 CO -0.00 0.23 0.03 -0.07 -0.57 0.00 0.00 179.45 179.07 3k90 h LEU 166 N 0.36 1.06 -0.60 2.94 3.38 -1.04 -2.14 115.31 119.26 3k90 h LEU 166 Ca 0.14 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3k90 h LEU 166 Cb 0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3k90 h LEU 166 CO -0.09 1.09 0.40 0.78 0.09 0.00 0.00 178.44 180.71 3k90 h ASN 167 N 0.99 0.69 -0.28 -0.43 2.35 -0.68 -0.77 115.58 117.45 3k90 h ASN 167 Ca 0.18 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 3k90 h ASN 167 Cb 0.53 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3k90 h ASN 167 CO 0.03 0.50 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.17 3k90 h LEU 168 N 0.82 0.64 -0.84 1.61 3.38 -1.22 -0.10 115.31 119.60 3k90 h LEU 168 Ca 0.22 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3k90 h LEU 168 Cb -0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3k90 h LEU 168 CO -0.05 0.76 -0.14 -0.61 0.09 0.00 0.00 178.44 178.49 3k90 h GLN 169 N 0.61 0.71 -0.39 1.13 5.75 -1.06 -1.14 115.11 120.72 3k90 h GLN 169 Ca 0.11 -0.24 -0.08 0.00 -0.15 0.00 0.00 58.65 58.29 3k90 h GLN 169 Cb 0.49 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 3k90 h GLN 169 CO 0.03 0.82 -0.07 -0.22 -2.65 0.00 0.00 178.83 176.74 3k90 h LYS 170 N 0.64 0.74 -0.45 1.69 3.64 -0.83 -1.48 116.57 120.52 3k90 h LYS 170 Ca 0.11 -0.27 0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3k90 h LYS 170 Cb 0.61 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 3k90 h LYS 170 CO 0.04 0.87 0.10 1.25 -2.27 0.00 0.00 179.45 179.44 3k90 h LEU 171 N 0.55 0.04 -0.12 5.20 5.85 -0.87 -0.20 115.31 125.75 3k90 h LEU 171 Ca 0.10 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3k90 h LEU 171 Cb 0.58 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3k90 h LEU 171 CO 0.03 0.05 0.05 0.00 -0.34 0.00 0.00 178.44 178.23 3k90 h ALA 172 N 1.34 0.14 -0.17 1.25 0.00 -1.07 -0.73 119.26 120.02 3k90 h ALA 172 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3k90 h ALA 172 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3k90 h ALA 172 CO -0.27 -0.40 0.11 1.15 0.00 0.00 0.00 179.25 179.83 3k90 h THR 173 N 0.11 1.04 0.39 0.00 2.02 -0.84 -0.20 112.91 115.43 3k90 h THR 173 Ca 0.05 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3k90 h THR 173 Cb 0.02 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3k90 h THR 173 CO -0.05 0.04 -0.32 0.58 0.37 0.00 0.00 175.52 176.14 3k90 h VAL 174 N 0.23 0.33 -0.75 3.16 2.07 -0.93 -1.56 116.25 118.80 3k90 h VAL 174 Ca 0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 3k90 h VAL 174 Cb -0.03 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3k90 h VAL 174 CO -0.01 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.81 3k90 h ALA 175 N -0.23 0.99 -0.26 1.67 0.00 -1.05 -0.95 119.26 119.43 3k90 h ALA 175 Ca -0.03 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3k90 h ALA 175 Cb 0.63 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3k90 h ALA 175 CO -0.02 0.67 -0.17 0.93 0.00 0.00 0.00 179.25 180.66 3k90 h GLU 176 N 1.12 0.45 -0.21 0.00 5.08 -1.00 -0.54 114.58 119.48 3k90 h GLU 176 Ca 0.24 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3k90 h GLU 176 Cb 0.31 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3k90 h GLU 176 CO -0.01 0.61 -0.13 0.00 -1.00 0.00 0.00 179.01 178.48 3k90 h ALA 177 N 1.41 0.30 -0.87 3.43 0.00 -0.93 -3.22 119.26 119.39 3k90 h ALA 177 Ca 0.07 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3k90 h ALA 177 Cb 0.54 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3k90 h ALA 177 CO 0.03 0.17 0.57 0.52 0.00 0.00 0.00 179.25 180.54 3k90 h MET 178 N 0.16 1.09 0.00 0.00 2.86 -0.93 -2.22 114.93 115.90 3k90 h MET 178 Ca 0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3k90 h MET 178 Cb 0.64 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3k90 h MET 178 CO 0.04 0.72 0.00 0.00 1.06 0.00 0.00 176.91 178.72 3k90 n ALA 179 N -2.34 1.22 1.41 6.32 0.00 -0.23 -5.10 120.51 121.78 3k90 n ALA 179 Ca 0.10 0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.74 3k90 n ALA 179 Cb 0.06 -1.18 0.44 0.00 0.00 0.00 0.00 19.45 18.78 3k90 n ALA 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04