#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktx h GLN 2 N 0.00 1.04 -0.12 -1.46 5.75 -1.99 -1.17 115.11 117.17 3ktx h GLN 2 Ca 0.00 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 58.24 3ktx h GLN 2 Cb 0.00 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 3ktx h GLN 2 CO 0.00 0.96 0.02 1.25 -2.65 0.00 0.00 178.83 178.40 3ktx h LEU 3 N 0.98 -0.01 -1.22 -2.39 6.46 -2.00 0.26 115.31 117.38 3ktx h LEU 3 Ca 0.19 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 3ktx h LEU 3 Cb 0.43 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 3ktx h LEU 3 CO 0.01 0.01 0.34 0.00 -0.62 0.00 0.00 178.44 178.19 3ktx h ALA 4 N 1.09 1.41 -0.33 1.25 0.00 -1.99 -2.46 119.26 118.24 3ktx h ALA 4 Ca 0.05 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3ktx h ALA 4 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ktx h ALA 4 CO -0.08 0.49 -0.36 1.25 0.00 0.00 0.00 179.25 180.55 3ktx h HIS 5 N 0.89 0.89 -0.82 0.00 -0.00 0.08 -2.99 115.15 113.19 3ktx h HIS 5 Ca 0.23 -0.25 0.06 0.00 -0.00 0.00 0.00 60.37 60.41 3ktx h HIS 5 Cb 0.03 -0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.20 3ktx h HIS 5 CO 0.01 1.00 0.54 -0.91 -0.00 0.00 0.00 177.93 178.56 3ktx h ASN 6 N 0.62 0.80 -0.34 3.26 2.35 -0.07 -2.46 115.58 119.75 3ktx h ASN 6 Ca 0.06 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.91 3ktx h ASN 6 Cb 0.90 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 3ktx h ASN 6 CO 0.08 0.52 0.27 -0.07 -1.65 0.00 0.00 177.43 176.58 3ktx h LEU 7 N 0.92 0.00 -1.23 1.61 3.38 -1.36 -2.61 115.31 116.01 3ktx h LEU 7 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3ktx h LEU 7 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ktx h LEU 7 CO -0.12 0.00 -0.27 0.35 0.09 0.00 0.00 178.44 178.49 3ktx n THR 8 N -4.25 0.00 -2.61 0.22 -2.24 -0.93 -4.98 114.28 99.49 3ktx n THR 8 Ca 0.05 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 3ktx n THR 8 Cb 0.44 1.18 -0.01 0.00 -2.10 0.00 0.00 70.33 69.84 3ktx n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ktx s LEU 9 N -2.30 3.65 -0.03 3.22 1.43 -0.99 -5.08 118.68 118.59 3ktx s LEU 9 Ca 0.23 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 3ktx s LEU 9 Cb 0.19 -4.03 0.02 0.00 0.03 0.00 0.00 46.19 42.41 3ktx s LEU 9 CO 0.46 -0.55 -0.01 -0.55 0.23 0.00 0.00 176.35 175.94 3ktx s SER 10 N -3.73 0.46 0.00 2.29 0.15 -1.26 -5.03 113.70 106.58 3ktx s SER 10 Ca 0.50 -0.04 0.17 0.00 0.70 0.00 0.00 55.95 57.28 3ktx s SER 10 Cb -0.10 -0.23 0.85 0.00 -1.71 0.00 0.00 66.02 64.82 3ktx s SER 10 CO 0.41 -0.08 1.50 2.30 1.20 0.00 0.00 173.24 178.56 3ktx n ILE 11 N 4.03 0.52 1.05 6.45 -5.35 -1.26 -1.92 119.36 122.89 3ktx n ILE 11 Ca -0.26 0.13 0.11 0.00 -0.27 0.00 0.00 62.75 62.46 3ktx n ILE 11 Cb 0.51 -0.85 0.10 0.00 -1.74 0.00 0.00 39.64 37.65 3ktx n ILE 11 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3ktx n PHE 12 N -1.30 0.00 -1.35 4.28 3.72 -1.26 -4.95 117.46 116.60 3ktx n PHE 12 Ca 0.08 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.14 3ktx n PHE 12 Cb 0.14 -0.08 0.10 0.00 -0.94 0.00 0.00 39.48 38.70 3ktx n PHE 12 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ktx s ASP 13 N -2.77 4.09 0.42 4.37 1.01 -0.81 -5.00 116.67 117.98 3ktx s ASP 13 Ca 0.15 2.31 -0.25 0.00 0.71 0.00 0.00 52.55 55.47 3ktx s ASP 13 Cb 0.18 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.44 3ktx s ASP 13 CO 0.69 -2.33 1.23 -2.84 0.21 0.00 0.00 175.17 172.13 3ktx s PRO 14 N -4.03 3.92 0.96 8.23 0.02 -1.26 -5.04 135.00 137.80 3ktx s PRO 14 Ca 0.73 1.98 -0.12 0.00 0.02 0.00 0.00 61.00 63.61 3ktx s PRO 14 Cb -0.28 -2.64 0.17 0.00 0.02 0.00 0.00 34.50 31.77 3ktx s PRO 14 CO 0.47 -0.48 1.09 0.14 -0.33 0.00 0.00 177.00 177.89 3ktx s VAL 15 N -1.36 2.38 0.79 3.83 -7.23 -1.26 -5.02 120.40 112.54 3ktx s VAL 15 Ca 0.59 0.12 -0.14 0.00 -1.81 0.00 0.00 61.98 60.74 3ktx s VAL 15 Cb -0.34 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.12 3ktx s VAL 15 CO 0.43 -0.16 0.92 0.00 -0.31 0.00 0.00 175.10 175.98 3ktx n ALA 16 N -4.14 -0.69 1.86 1.32 0.00 -1.26 -4.93 120.51 112.68 3ktx n ALA 16 Ca 0.06 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.21 3ktx n ALA 16 Cb 0.55 -2.09 0.15 0.00 0.00 0.00 0.00 19.45 18.07 3ktx n ALA 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ktx n ASN 17 N -2.10 0.25 -3.69 0.00 2.04 -1.26 -4.86 115.26 105.63 3ktx n ASN 17 Ca 0.12 -1.86 -0.13 0.00 -0.44 0.00 0.00 54.58 52.26 3ktx n ASN 17 Cb 0.50 -0.03 -0.07 0.00 -2.53 0.00 0.00 39.78 37.65 3ktx n ASN 17 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3ktx s TYR 18 N -1.95 -0.27 -0.22 -2.53 -0.85 -1.26 -5.04 117.35 105.24 3ktx s TYR 18 Ca 0.10 0.33 -0.06 0.00 -0.52 0.00 0.00 57.07 56.92 3ktx s TYR 18 Cb 0.05 0.18 -0.02 0.00 0.38 0.00 0.00 41.96 42.55 3ktx s TYR 18 CO 0.07 -0.50 0.02 0.50 -1.52 0.00 0.00 175.55 174.12 3ktx s ARG 19 N -1.88 3.57 0.03 -3.49 3.52 -1.26 -4.98 118.95 114.46 3ktx s ARG 19 Ca -0.09 -0.53 -0.11 0.00 -0.13 0.00 0.00 55.73 54.87 3ktx s ARG 19 Cb -0.02 -3.15 -0.33 0.00 -1.56 0.00 0.00 34.95 29.89 3ktx s ARG 19 CO 0.02 -0.11 0.99 0.00 -0.81 0.00 0.00 175.30 175.38 3ktx h ALA 20 N 7.92 -0.02 -2.40 6.12 0.00 -1.95 -3.44 119.26 125.49 3ktx h ALA 20 Ca -0.38 -0.92 -0.50 0.00 0.00 0.00 0.00 54.91 53.11 3ktx h ALA 20 Cb 1.17 0.17 0.08 0.00 0.00 0.00 0.00 17.79 19.21 3ktx h ALA 20 CO 0.60 0.85 0.38 0.00 0.00 0.00 0.00 179.25 181.07 3ktx s ALA 21 N -2.61 2.63 -0.04 0.00 0.00 -1.26 -0.45 121.76 120.03 3ktx s ALA 21 Ca -0.08 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.40 3ktx s ALA 21 Cb 0.05 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3ktx s ALA 21 CO 0.91 -0.99 -0.20 1.03 0.00 0.00 0.00 175.76 176.52 3ktx s ARG 22 N -4.06 2.37 -0.20 0.00 1.81 -0.31 -4.90 118.95 113.66 3ktx s ARG 22 Ca 0.65 -0.80 -0.05 0.00 -1.72 0.00 0.00 55.73 53.80 3ktx s ARG 22 Cb -0.18 -2.23 -0.03 0.00 -0.45 0.00 0.00 34.95 32.06 3ktx s ARG 22 CO 0.38 0.57 0.01 0.42 -0.68 0.00 0.00 175.30 176.01 3ktx s ILE 23 N -0.62 4.03 -0.18 1.52 1.01 -1.26 -1.17 121.20 124.53 3ktx s ILE 23 Ca 0.09 -0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 3ktx s ILE 23 Cb -0.11 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 3ktx s ILE 23 CO 0.00 0.42 0.11 -0.63 0.00 0.00 0.00 174.94 174.85 3ktx s ILE 24 N 0.99 5.28 -0.09 2.92 1.01 -0.25 -1.38 121.20 129.67 3ktx s ILE 24 Ca 0.02 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.85 3ktx s ILE 24 Cb -0.14 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 38.94 3ktx s ILE 24 CO 0.02 0.48 -0.24 0.00 0.00 0.00 0.00 174.94 175.20 3ktx s THR 26 N 0.22 4.94 0.06 0.00 2.01 -0.59 -0.52 115.64 121.77 3ktx s THR 26 Ca -0.15 1.78 -0.21 0.00 0.31 0.00 0.00 61.69 63.42 3ktx s THR 26 Cb -0.17 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.08 3ktx s THR 26 CO 0.08 0.19 0.62 -0.63 -0.69 0.00 0.00 174.62 174.19 3ktx s ILE 27 N 0.99 4.73 0.00 1.82 -1.09 -0.91 -1.68 121.20 125.06 3ktx s ILE 27 Ca 0.45 1.33 0.00 0.00 -2.23 0.00 0.00 60.65 60.20 3ktx s ILE 27 Cb -0.19 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 3ktx s ILE 27 CO 0.23 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 175.05 3ktx n GLY 28 N 1.95 3.38 0.27 6.18 0.00 -1.23 -4.74 105.19 111.01 3ktx n GLY 28 Ca -0.08 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.23 3ktx n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ktx h PRO 29 N 0.00 0.36 0.00 1.61 0.11 -1.80 0.58 132.00 132.87 3ktx h PRO 29 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3ktx h PRO 29 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3ktx h PRO 29 CO 0.00 0.24 0.00 0.77 -0.21 0.00 0.00 178.00 178.80 3ktx h SER 30 N 0.38 0.00 0.00 -2.05 0.02 -1.60 -3.35 113.55 106.95 3ktx h SER 30 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 3ktx h SER 30 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3ktx h SER 30 CO -0.44 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 175.60 3ktx n THR 31 N -2.45 0.00 0.29 -2.27 -2.24 0.15 -4.86 114.28 102.90 3ktx n THR 31 Ca -0.01 -0.04 0.17 0.00 -2.27 0.00 0.00 64.05 61.90 3ktx n THR 31 Cb 0.10 1.81 0.68 0.00 -2.10 0.00 0.00 70.33 70.82 3ktx n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3ktx h GLN 32 N 0.00 0.00 -7.38 -0.78 4.15 -0.25 -3.26 115.11 107.59 3ktx h GLN 32 Ca 0.00 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.92 3ktx h GLN 32 Cb 0.40 0.00 0.09 0.00 0.21 0.00 0.00 27.48 28.18 3ktx h GLN 32 CO 0.00 0.00 0.38 -1.54 -1.93 0.00 0.00 178.83 175.74 3ktx s SER 33 N -5.61 5.44 0.38 -0.69 1.04 -1.26 -4.80 113.70 108.19 3ktx s SER 33 Ca 0.01 1.43 0.06 0.00 0.48 0.00 0.00 55.95 57.93 3ktx s SER 33 Cb 0.09 -2.31 0.75 0.00 0.10 0.00 0.00 66.02 64.65 3ktx s SER 33 CO 0.54 -1.38 1.99 -0.37 0.98 0.00 0.00 173.24 175.00 3ktx h VAL 34 N -0.68 1.14 -0.21 5.02 -1.51 -1.88 -0.06 116.25 118.08 3ktx h VAL 34 Ca -0.45 -0.41 -0.17 0.00 -1.23 0.00 0.00 66.70 64.45 3ktx h VAL 34 Cb 1.22 0.64 -0.00 0.00 -2.13 0.00 0.00 31.29 31.01 3ktx h VAL 34 CO 0.60 0.16 -0.56 -0.33 -1.23 0.00 0.00 177.57 176.21 3ktx h GLU 35 N 0.56 0.66 -0.39 5.19 4.39 -1.94 -0.05 114.58 123.01 3ktx h GLU 35 Ca 0.14 -0.42 -0.16 0.00 0.34 0.00 0.00 59.36 59.26 3ktx h GLU 35 Cb 0.07 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3ktx h GLU 35 CO -0.02 1.04 -0.38 0.00 -1.16 0.00 0.00 179.01 178.49 3ktx h ALA 36 N 0.87 0.57 -0.67 3.43 0.00 -1.66 -1.31 119.26 120.48 3ktx h ALA 36 Ca 0.01 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.51 3ktx h ALA 36 Cb 1.13 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 3ktx h ALA 36 CO 0.11 0.67 0.40 -0.07 0.00 0.00 0.00 179.25 180.36 3ktx h LEU 37 N 0.76 0.63 -0.48 0.00 3.38 -0.92 -1.06 115.31 117.63 3ktx h LEU 37 Ca 0.06 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3ktx h LEU 37 Cb 0.97 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3ktx h LEU 37 CO 0.09 0.43 0.24 0.11 0.09 0.00 0.00 178.44 179.40 3ktx h LYS 38 N 0.76 0.46 -0.88 1.13 1.57 -0.81 0.10 116.57 118.90 3ktx h LYS 38 Ca 0.28 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 3ktx h LYS 38 Cb 0.09 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 3ktx h LYS 38 CO -0.14 0.30 0.56 0.78 -0.57 0.00 0.00 179.45 180.39 3ktx h GLY 39 N 0.47 1.32 0.86 3.86 0.00 -0.77 -0.77 103.07 108.03 3ktx h GLY 39 Ca 0.21 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3ktx h GLY 39 CO -0.15 0.31 0.05 1.41 0.00 0.00 0.00 176.54 178.16 3ktx h LEU 40 N 1.05 0.33 -0.03 3.11 4.07 -0.43 0.43 115.31 123.84 3ktx h LEU 40 Ca 0.37 -0.24 0.03 0.00 0.08 0.00 0.00 57.88 58.12 3ktx h LEU 40 Cb 0.11 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 3ktx h LEU 40 CO -0.15 0.48 -0.17 0.40 -1.08 0.00 0.00 178.44 177.92 3ktx h ILE 41 N 0.16 0.59 -0.13 1.22 2.04 -0.67 -1.15 117.51 119.56 3ktx h ILE 41 Ca 0.07 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 3ktx h ILE 41 Cb 0.28 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3ktx h ILE 41 CO 0.00 0.00 -0.11 1.56 0.00 0.00 0.00 178.15 179.61 3ktx h GLN 42 N -0.26 0.21 0.00 2.37 4.20 -1.03 -1.70 115.11 118.89 3ktx h GLN 42 Ca 0.06 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3ktx h GLN 42 Cb 0.34 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3ktx h GLN 42 CO -0.18 0.32 -0.24 0.77 -0.67 0.00 0.00 178.83 178.84 3ktx h SER 43 N 0.20 0.00 0.00 1.46 0.02 -0.35 -3.47 113.55 111.41 3ktx h SER 43 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3ktx h SER 43 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3ktx h SER 43 CO 0.02 0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.56 3ktx n GLY 44 N 0.23 0.34 3.75 -3.77 0.00 -0.64 -3.92 105.19 101.18 3ktx n GLY 44 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3ktx n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ktx s MET 45 N 0.00 4.53 -0.01 1.61 0.00 -0.52 -4.25 119.30 120.65 3ktx s MET 45 Ca 0.00 1.89 0.07 0.00 0.00 0.00 0.00 55.69 57.64 3ktx s MET 45 Cb 0.00 -3.21 -0.10 0.00 0.00 0.00 0.00 34.83 31.52 3ktx s MET 45 CO 0.00 -0.00 0.13 0.43 0.00 0.00 0.00 175.02 175.58 3ktx n SER 46 N 1.92 3.50 -3.90 1.11 7.64 -0.48 -4.59 113.62 118.82 3ktx n SER 46 Ca 0.02 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.73 3ktx n SER 46 Cb 0.44 1.25 -0.16 0.00 -1.01 0.00 0.00 64.21 64.74 3ktx n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ktx s VAL 47 N -2.43 0.39 -0.31 0.44 1.01 -1.16 -1.94 120.40 116.39 3ktx s VAL 47 Ca -0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 3ktx s VAL 47 Cb 0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 3ktx s VAL 47 CO 0.27 0.16 0.14 0.00 0.00 0.00 0.00 175.10 175.68 3ktx s ALA 48 N 0.57 3.25 -0.06 5.51 0.00 -0.54 -0.57 121.76 129.91 3ktx s ALA 48 Ca -0.07 -1.40 -0.16 0.00 0.00 0.00 0.00 51.96 50.33 3ktx s ALA 48 Cb -0.10 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 3ktx s ALA 48 CO -0.00 -0.92 0.44 0.50 0.00 0.00 0.00 175.76 175.78 3ktx s ARG 49 N 1.60 4.16 -0.26 0.00 3.52 0.32 -0.90 118.95 127.39 3ktx s ARG 49 Ca 0.04 0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.99 3ktx s ARG 49 Cb -0.17 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 3ktx s ARG 49 CO 0.06 0.40 0.07 -1.64 -0.81 0.00 0.00 175.30 173.38 3ktx s MET 50 N -0.17 3.49 -0.67 5.12 -1.94 0.45 -2.14 119.30 123.43 3ktx s MET 50 Ca 0.24 -0.59 -0.25 0.00 -1.71 0.00 0.00 55.69 53.38 3ktx s MET 50 Cb -0.16 -3.33 0.05 0.00 2.01 0.00 0.00 34.83 33.40 3ktx s MET 50 CO 0.11 -0.26 1.11 1.21 -0.01 0.00 0.00 175.02 177.18 3ktx s ASN 51 N 1.58 6.21 0.00 3.03 3.84 -1.26 -1.31 114.94 127.03 3ktx s ASN 51 Ca 0.05 -0.62 0.11 0.00 0.21 0.00 0.00 52.86 52.62 3ktx s ASN 51 Cb -0.16 -2.49 0.66 0.00 -0.55 0.00 0.00 41.25 38.72 3ktx s ASN 51 CO 0.03 -1.58 1.31 0.49 -2.79 0.00 0.00 177.10 174.56 3ktx n PHE 52 N 8.40 0.00 0.28 0.43 3.01 -0.16 -2.59 117.46 126.84 3ktx n PHE 52 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.62 3ktx n PHE 52 Cb 0.47 0.00 0.83 0.00 -0.01 0.00 0.00 39.48 40.77 3ktx n PHE 52 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3ktx h SER 53 N 0.00 0.00 -4.76 4.37 0.02 -1.83 -3.37 113.55 107.98 3ktx h SER 53 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 3ktx h SER 53 Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 3ktx h SER 53 CO 0.00 0.07 -0.69 -1.00 -1.14 0.00 0.00 176.83 174.07 3ktx s HIS 54 N -4.19 0.80 0.00 3.45 3.76 -1.07 -5.00 115.29 113.04 3ktx s HIS 54 Ca -0.03 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 53.93 3ktx s HIS 54 Cb 0.13 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.33 3ktx s HIS 54 CO 0.55 -0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.64 3ktx n GLY 55 N -0.01 -0.97 4.00 -2.22 0.00 -1.26 -4.84 105.19 99.89 3ktx n GLY 55 Ca -0.13 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.18 3ktx n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ktx s SER 56 N -2.08 4.91 0.33 1.61 1.04 -1.26 -4.94 113.70 113.30 3ktx s SER 56 Ca 0.00 -0.35 0.08 0.00 0.48 0.00 0.00 55.95 56.16 3ktx s SER 56 Cb 0.00 -0.29 0.81 0.00 0.10 0.00 0.00 66.02 66.63 3ktx s SER 56 CO 0.00 -1.43 1.79 0.45 0.98 0.00 0.00 173.24 175.04 3ktx h HIS 57 N -0.09 0.97 -0.61 5.02 -0.00 -1.99 -1.92 115.15 116.53 3ktx h HIS 57 Ca -0.37 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 59.96 3ktx h HIS 57 Cb 1.28 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 28.37 3ktx h HIS 57 CO 0.16 0.23 0.12 1.49 -0.00 0.00 0.00 177.93 179.93 3ktx h GLU 58 N 0.70 0.98 -0.25 2.45 4.81 -1.99 0.22 114.58 121.51 3ktx h GLU 58 Ca 0.56 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 3ktx h GLU 58 Cb 0.95 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 3ktx h GLU 58 CO -0.33 0.89 0.09 -0.92 -0.73 0.00 0.00 179.01 178.01 3ktx h TYR 59 N 0.93 0.38 0.00 0.92 3.20 -1.74 -2.69 116.97 117.97 3ktx h TYR 59 Ca 0.19 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 3ktx h TYR 59 Cb 0.37 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3ktx h TYR 59 CO 0.02 0.41 -0.51 0.45 -1.64 0.00 0.00 178.16 176.90 3ktx h HIS 60 N 0.24 0.00 -0.91 -3.82 3.86 -1.08 -1.60 115.15 111.84 3ktx h HIS 60 Ca 0.08 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3ktx h HIS 60 Cb 0.19 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 3ktx h HIS 60 CO -0.01 0.51 0.59 0.37 0.86 0.00 0.00 177.93 180.25 3ktx h GLN 61 N 0.00 1.21 -0.48 2.45 5.75 -0.51 0.58 115.11 124.11 3ktx h GLN 61 Ca -0.01 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 3ktx h GLN 61 Cb 0.93 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 3ktx h GLN 61 CO 0.07 0.81 0.03 1.15 -2.65 0.00 0.00 178.83 178.24 3ktx h THR 62 N 1.24 1.26 -0.05 2.39 2.02 -0.96 0.39 112.91 119.20 3ktx h THR 62 Ca 0.33 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.55 3ktx h THR 62 Cb -0.12 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 3ktx h THR 62 CO -0.07 0.35 -0.32 0.74 0.37 0.00 0.00 175.52 176.59 3ktx h THR 63 N 0.68 0.29 -0.19 3.16 2.02 -0.92 0.26 112.91 118.21 3ktx h THR 63 Ca 0.14 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.37 3ktx h THR 63 Cb 0.46 0.29 -0.06 0.00 -1.74 0.00 0.00 68.15 67.10 3ktx h THR 63 CO 0.02 0.00 -0.22 0.40 0.37 0.00 0.00 175.52 176.09 3ktx h ILE 64 N -0.45 0.44 -0.40 3.11 2.04 -0.64 0.11 117.51 121.72 3ktx h ILE 64 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3ktx h ILE 64 Cb 0.56 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3ktx h ILE 64 CO -0.30 0.00 0.20 0.78 0.00 0.00 0.00 178.15 178.83 3ktx h ASN 65 N -0.25 0.52 0.32 1.72 2.35 -0.82 -2.43 115.58 116.99 3ktx h ASN 65 Ca 0.12 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3ktx h ASN 65 Cb 0.43 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3ktx h ASN 65 CO -0.34 0.50 -0.39 0.78 -1.65 0.00 0.00 177.43 176.33 3ktx h ASN 66 N 0.51 0.10 -0.02 5.81 2.35 0.10 -1.94 115.58 122.49 3ktx h ASN 66 Ca 0.14 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3ktx h ASN 66 Cb 0.11 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3ktx h ASN 66 CO -0.02 0.49 -0.00 0.58 -1.65 0.00 0.00 177.43 176.82 3ktx h VAL 67 N 0.09 1.29 -1.00 2.81 2.07 -0.60 0.26 116.25 121.17 3ktx h VAL 67 Ca 0.01 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.74 3ktx h VAL 67 Cb 0.73 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 32.26 3ktx h VAL 67 CO 0.05 0.23 0.64 0.03 0.02 0.00 0.00 177.57 178.54 3ktx h ARG 68 N -0.32 1.07 -0.03 1.57 3.08 -1.36 0.18 114.38 118.57 3ktx h ARG 68 Ca 0.01 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3ktx h ARG 68 Cb 0.38 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3ktx h ARG 68 CO 0.00 0.71 -0.18 0.37 -1.07 0.00 0.00 179.97 179.80 3ktx h GLN 69 N 1.10 0.17 -1.00 0.04 4.15 -1.11 0.18 115.11 118.64 3ktx h GLN 69 Ca 0.45 -0.15 0.10 0.00 0.77 0.00 0.00 58.65 59.83 3ktx h GLN 69 Cb 0.28 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.93 3ktx h GLN 69 CO -0.21 0.82 0.64 0.00 -1.93 0.00 0.00 178.83 178.14 3ktx h ALA 70 N 0.36 1.47 -0.16 3.38 0.00 -0.10 -1.95 119.26 122.26 3ktx h ALA 70 Ca -0.01 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3ktx h ALA 70 Cb 0.85 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3ktx h ALA 70 CO 0.04 0.30 -0.64 0.00 0.00 0.00 0.00 179.25 178.95 3ktx h ALA 71 N 1.51 0.29 -0.57 0.00 0.00 -0.44 -2.36 119.26 117.68 3ktx h ALA 71 Ca 0.47 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ktx h ALA 71 Cb 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3ktx h ALA 71 CO -0.23 0.56 0.38 0.00 0.00 0.00 0.00 179.25 179.96 3ktx h ALA 72 N 0.54 1.63 0.01 0.00 0.00 -0.37 0.16 119.26 121.23 3ktx h ALA 72 Ca -0.04 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 3ktx h ALA 72 Cb 1.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3ktx h ALA 72 CO 0.13 0.33 -0.90 0.93 0.00 0.00 0.00 179.25 179.74 3ktx h GLU 73 N 0.74 0.17 0.00 0.00 5.08 -1.15 -2.67 114.58 116.74 3ktx h GLU 73 Ca 0.22 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3ktx h GLU 73 Cb -0.02 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3ktx h GLU 73 CO -0.05 0.96 -0.46 1.28 -1.00 0.00 0.00 179.01 179.73 3ktx n LEU 74 N -3.63 0.47 -0.89 1.33 4.77 -0.91 -4.98 117.00 113.17 3ktx n LEU 74 Ca -0.03 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 3ktx n LEU 74 Cb 0.82 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 3ktx n LEU 74 CO 0.48 0.08 -0.01 0.61 -1.33 0.00 0.00 177.39 177.22 3ktx n GLY 75 N 1.47 0.35 3.56 -0.72 0.00 0.44 -5.05 105.19 105.25 3ktx n GLY 75 Ca 0.05 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 3ktx n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ktx s VAL 76 N -2.63 1.25 -0.21 1.61 -7.23 -0.42 -5.03 120.40 107.74 3ktx s VAL 76 Ca 0.07 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.22 3ktx s VAL 76 Cb -0.03 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.29 3ktx s VAL 76 CO 0.08 0.00 -0.11 0.20 -0.31 0.00 0.00 175.10 174.96 3ktx s ASN 77 N -3.64 3.79 -0.10 4.85 0.01 -1.26 -4.34 114.94 114.25 3ktx s ASN 77 Ca 0.28 -0.56 0.02 0.00 -0.71 0.00 0.00 52.86 51.89 3ktx s ASN 77 Cb 0.06 -1.62 -0.02 0.00 0.41 0.00 0.00 41.25 40.09 3ktx s ASN 77 CO 0.13 -0.02 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.91 3ktx s ILE 78 N 1.38 2.84 0.41 0.60 -1.09 -1.26 -4.82 121.20 119.25 3ktx s ILE 78 Ca 0.05 -0.76 -0.21 0.00 -2.23 0.00 0.00 60.65 57.50 3ktx s ILE 78 Cb -0.14 -2.15 -0.11 0.00 -1.58 0.00 0.00 42.46 38.48 3ktx s ILE 78 CO -0.08 0.55 0.93 0.00 -1.23 0.00 0.00 174.94 175.11 3ktx s ALA 79 N 0.05 3.08 -0.17 9.38 0.00 -0.82 -4.92 121.76 128.37 3ktx s ALA 79 Ca -0.06 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.30 3ktx s ALA 79 Cb -0.15 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3ktx s ALA 79 CO 0.05 0.15 -0.19 0.42 0.00 0.00 0.00 175.76 176.19 3ktx s ILE 80 N -2.09 2.18 -0.07 0.00 1.01 -1.26 -1.46 121.20 119.50 3ktx s ILE 80 Ca 0.60 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.35 3ktx s ILE 80 Cb -0.10 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3ktx s ILE 80 CO 0.15 0.53 -0.08 0.00 0.00 0.00 0.00 174.94 175.54 3ktx s ALA 81 N 1.16 2.92 -0.34 9.38 0.00 -0.07 -1.55 121.76 133.26 3ktx s ALA 81 Ca 0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 3ktx s ALA 81 Cb -0.14 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.82 3ktx s ALA 81 CO -0.09 0.54 0.11 -1.17 0.00 0.00 0.00 175.76 175.15 3ktx s LEU 82 N -0.69 4.36 -0.37 0.00 0.20 -0.73 -0.41 118.68 121.04 3ktx s LEU 82 Ca 0.10 -1.20 -0.15 0.00 0.69 0.00 0.00 54.13 53.57 3ktx s LEU 82 Cb -0.11 -1.86 -0.00 0.00 -0.43 0.00 0.00 46.19 43.79 3ktx s LEU 82 CO 0.02 -0.34 0.36 -0.62 -0.29 0.00 0.00 176.35 175.48 3ktx s ASP 83 N 1.45 6.16 0.52 3.68 -1.08 -0.43 -0.76 116.67 126.22 3ktx s ASP 83 Ca -0.01 -0.44 -0.19 0.00 -0.52 0.00 0.00 52.55 51.39 3ktx s ASP 83 Cb -0.20 -2.19 -0.07 0.00 -1.46 0.00 0.00 42.92 39.00 3ktx s ASP 83 CO 0.02 -0.40 1.05 0.42 0.52 0.00 0.00 175.17 176.78 3ktx s THR 84 N 1.98 3.76 0.11 1.71 -4.23 -0.71 -0.98 115.64 117.28 3ktx s THR 84 Ca 0.10 1.01 -0.24 0.00 -1.18 0.00 0.00 61.69 61.38 3ktx s THR 84 Cb -0.17 -3.42 -0.09 0.00 1.34 0.00 0.00 72.50 70.16 3ktx s THR 84 CO 0.12 -0.32 1.68 0.50 -0.54 0.00 0.00 174.62 176.06 3ktx h LYS 85 N 1.18 -0.23 0.00 3.99 3.64 -1.93 -3.40 116.57 119.82 3ktx h LYS 85 Ca -0.49 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3ktx h LYS 85 Cb 1.22 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3ktx h LYS 85 CO 0.58 -0.16 0.00 0.41 -2.27 0.00 0.00 179.45 178.02 3ktx n GLY 86 N -1.26 -1.18 3.75 5.01 0.00 -1.26 -4.88 105.19 105.37 3ktx n GLY 86 Ca -0.06 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 3ktx n GLY 86 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ktx s PRO 87 N -2.17 3.02 0.05 1.61 0.02 -1.26 -4.75 135.00 131.52 3ktx s PRO 87 Ca 0.00 1.91 -0.05 0.00 0.02 0.00 0.00 61.00 62.88 3ktx s PRO 87 Cb 0.00 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 3ktx s PRO 87 CO 0.00 -1.18 0.08 -1.21 -0.33 0.00 0.00 177.00 174.35 3ktx s GLU 88 N -3.21 0.61 -0.18 5.54 2.02 -1.26 -4.98 118.70 117.23 3ktx s GLU 88 Ca 0.76 -0.87 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 3ktx s GLU 88 Cb -0.32 0.23 0.01 0.00 0.10 0.00 0.00 34.13 34.15 3ktx s GLU 88 CO 0.36 -0.15 -0.14 0.42 0.02 0.00 0.00 175.26 175.77 3ktx s ILE 89 N -2.98 2.61 0.13 -1.63 1.01 -1.26 -4.91 121.20 114.17 3ktx s ILE 89 Ca -0.02 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.93 3ktx s ILE 89 Cb 0.01 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3ktx s ILE 89 CO -0.06 0.50 -0.14 -0.13 0.00 0.00 0.00 174.94 175.11 3ktx s ARG 90 N 1.21 1.05 0.96 2.79 0.52 -1.26 -0.30 118.95 123.93 3ktx s ARG 90 Ca 0.02 -1.28 -0.12 0.00 -0.52 0.00 0.00 55.73 53.83 3ktx s ARG 90 Cb -0.14 -0.90 0.17 0.00 0.52 0.00 0.00 34.95 34.59 3ktx s ARG 90 CO -0.06 0.17 1.10 0.95 0.02 0.00 0.00 175.30 177.47 3ktx s THR 91 N -2.29 2.18 0.00 0.02 -4.23 0.40 -0.98 115.64 110.73 3ktx s THR 91 Ca 0.11 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 3ktx s THR 91 Cb -0.04 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3ktx s THR 91 CO 0.03 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 3ktx n GLY 92 N -1.34 -0.44 3.92 3.99 0.00 0.29 -3.85 105.19 107.76 3ktx n GLY 92 Ca 0.06 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 3ktx n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktx s GLN 93 N -0.04 3.53 0.09 1.61 -0.21 0.47 -1.42 119.66 123.70 3ktx s GLN 93 Ca 0.00 0.05 0.09 0.00 0.02 0.00 0.00 55.36 55.52 3ktx s GLN 93 Cb 0.00 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 3ktx s GLN 93 CO 0.00 -0.09 -0.21 -0.06 -2.12 0.00 0.00 175.29 172.81 3ktx s PHE 94 N -2.59 2.46 0.07 0.91 0.08 -1.26 -1.08 117.98 116.57 3ktx s PHE 94 Ca 0.45 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.89 3ktx s PHE 94 Cb -0.10 -1.36 -0.09 0.00 -0.57 0.00 0.00 43.02 40.90 3ktx s PHE 94 CO 0.42 0.31 1.73 0.08 -0.10 0.00 0.00 175.22 177.66 3ktx s VAL 95 N -1.03 2.93 0.00 -0.44 1.01 0.54 -1.33 120.40 122.08 3ktx s VAL 95 Ca 0.15 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3ktx s VAL 95 Cb -0.10 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3ktx s VAL 95 CO 0.07 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3ktx n GLY 96 N 4.12 0.86 1.59 4.51 0.00 -1.26 -4.21 105.19 110.79 3ktx n GLY 96 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ktx n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ktx n GLY 97 N -2.24 0.66 3.58 -0.02 0.00 -0.44 -4.95 105.19 101.78 3ktx n GLY 97 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3ktx n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ktx s ASP 98 N -2.13 -0.48 -0.08 1.61 2.15 -1.26 -3.22 116.67 113.25 3ktx s ASP 98 Ca 0.00 0.66 -0.03 0.00 0.43 0.00 0.00 52.55 53.61 3ktx s ASP 98 Cb 0.00 0.58 0.04 0.00 -0.30 0.00 0.00 42.92 43.24 3ktx s ASP 98 CO 0.00 -0.35 0.13 0.00 -0.17 0.00 0.00 175.17 174.78 3ktx s ALA 99 N -0.71 -0.02 -0.53 3.66 0.00 0.20 -4.68 121.76 119.68 3ktx s ALA 99 Ca -0.03 0.40 -0.22 0.00 0.00 0.00 0.00 51.96 52.11 3ktx s ALA 99 Cb -0.02 -0.78 0.05 0.00 0.00 0.00 0.00 23.12 22.37 3ktx s ALA 99 CO 0.02 -0.59 0.83 0.08 0.00 0.00 0.00 175.76 176.10 3ktx s VAL 100 N 2.25 4.56 -0.17 0.00 1.01 -1.26 -1.83 120.40 124.96 3ktx s VAL 100 Ca 0.04 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 3ktx s VAL 100 Cb -0.12 -4.45 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 3ktx s VAL 100 CO -0.05 -0.99 0.18 -0.04 0.00 0.00 0.00 175.10 174.19 3ktx s MET 101 N 3.48 4.04 -0.02 2.72 -1.94 -0.99 -4.91 119.30 121.68 3ktx s MET 101 Ca 0.25 -0.11 0.07 0.00 -1.71 0.00 0.00 55.69 54.19 3ktx s MET 101 Cb -0.15 -3.37 -0.02 0.00 2.01 0.00 0.00 34.83 33.31 3ktx s MET 101 CO 0.17 0.40 -0.22 -1.21 -0.01 0.00 0.00 175.02 174.15 3ktx s GLU 102 N 0.04 1.80 0.15 2.03 2.02 -1.26 -1.98 118.70 121.51 3ktx s GLU 102 Ca 0.12 -0.79 -0.34 0.00 0.02 0.00 0.00 54.97 53.98 3ktx s GLU 102 Cb -0.12 -1.74 -0.14 0.00 0.10 0.00 0.00 34.13 32.23 3ktx s GLU 102 CO 0.01 0.47 1.53 -2.13 0.02 0.00 0.00 175.26 175.16 3ktx n ARG 103 N 2.55 1.97 0.00 1.61 0.63 -1.26 -1.24 116.66 120.91 3ktx n ARG 103 Ca -0.15 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 3ktx n ARG 103 Cb 0.52 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 30.98 3ktx n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ktx n GLY 104 N 3.21 2.97 3.71 5.14 0.00 0.08 -4.98 105.19 115.32 3ktx n GLY 104 Ca 0.17 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3ktx n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktx s ALA 105 N -2.51 1.99 -0.12 4.61 0.00 -0.38 -4.70 121.76 120.65 3ktx s ALA 105 Ca 0.00 0.89 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 3ktx s ALA 105 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3ktx s ALA 105 CO 0.00 -2.08 0.08 0.99 0.00 0.00 0.00 175.76 174.75 3ktx s THR 106 N -2.02 5.00 0.21 0.00 2.01 -1.26 -0.98 115.64 118.59 3ktx s THR 106 Ca 0.74 0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.76 3ktx s THR 106 Cb -0.30 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3ktx s THR 106 CO 0.48 0.59 0.11 0.00 -0.69 0.00 0.00 174.62 175.11 3ktx s TYR 108 N -4.03 2.25 -0.19 0.00 1.51 0.36 -1.40 117.35 115.86 3ktx s TYR 108 Ca 0.37 -1.11 -0.08 0.00 -1.01 0.00 0.00 57.07 55.25 3ktx s TYR 108 Cb 0.07 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 3ktx s TYR 108 CO 0.12 -0.54 0.07 0.14 -1.11 0.00 0.00 175.55 174.23 3ktx s VAL 109 N 0.95 4.87 0.11 0.71 -7.23 -0.53 -1.24 120.40 118.04 3ktx s VAL 109 Ca -0.06 -0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.16 3ktx s VAL 109 Cb -0.15 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.55 3ktx s VAL 109 CO -0.02 0.46 -0.15 0.28 -0.31 0.00 0.00 175.10 175.36 3ktx s THR 110 N 0.39 1.33 -2.17 5.32 -1.32 0.37 -1.78 115.64 117.78 3ktx s THR 110 Ca 0.04 -1.66 0.22 0.00 -1.21 0.00 0.00 61.69 59.08 3ktx s THR 110 Cb -0.12 -1.48 0.49 0.00 -1.51 0.00 0.00 72.50 69.88 3ktx s THR 110 CO -0.00 -0.37 1.43 0.35 -2.21 0.00 0.00 174.62 173.82 3ktx n THR 111 N 0.66 0.70 -2.21 5.08 -2.24 0.33 -1.44 114.28 115.17 3ktx n THR 111 Ca -0.16 -0.85 -0.42 0.00 -2.27 0.00 0.00 64.05 60.34 3ktx n THR 111 Cb 0.56 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 3ktx n THR 111 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ktx s ASP 112 N -1.27 6.82 0.60 3.42 2.15 -1.26 -4.91 116.67 122.22 3ktx s ASP 112 Ca 0.41 2.04 0.30 0.00 0.43 0.00 0.00 52.55 55.73 3ktx s ASP 112 Cb 0.23 -2.55 1.73 0.00 -0.30 0.00 0.00 42.92 42.03 3ktx s ASP 112 CO 0.31 -0.79 2.12 -0.65 -0.17 0.00 0.00 175.17 175.99 3ktx h PRO 113 N 8.45 0.00 0.00 4.34 0.11 -1.97 -2.34 132.00 140.59 3ktx h PRO 113 Ca -0.35 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 3ktx h PRO 113 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ktx h PRO 113 CO 0.94 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.70 3ktx h ALA 114 N 1.77 1.66 -0.01 -0.75 0.00 -2.00 -1.12 119.26 118.80 3ktx h ALA 114 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ktx h ALA 114 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ktx h ALA 114 CO -0.00 0.04 -0.03 1.19 0.00 0.00 0.00 179.25 180.45 3ktx n PHE 115 N -4.07 0.00 -0.20 0.00 3.72 -0.88 -4.39 117.46 111.63 3ktx n PHE 115 Ca -0.03 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.38 3ktx n PHE 115 Cb 0.11 -0.01 0.11 0.00 -0.94 0.00 0.00 39.48 38.76 3ktx n PHE 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ktx h ALA 116 N 4.30 0.70 0.00 4.37 0.00 -1.37 -2.74 119.26 124.52 3ktx h ALA 116 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ktx h ALA 116 Cb 0.52 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3ktx h ALA 116 CO 0.00 -0.34 -0.76 0.38 0.00 0.00 0.00 179.25 178.53 3ktx h ASP 117 N 0.21 0.00 -1.28 0.00 2.03 -1.80 0.14 116.42 115.71 3ktx h ASP 117 Ca 0.33 -0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 56.09 3ktx h ASP 117 Cb 0.51 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 38.60 3ktx h ASP 117 CO -0.46 0.00 -0.83 2.29 -1.03 0.00 0.00 179.24 179.21 3ktx n LYS 118 N -2.77 3.04 -2.16 4.15 2.85 -1.04 -4.54 118.16 117.69 3ktx n LYS 118 Ca 0.01 -4.22 -0.33 0.00 -1.05 0.00 0.00 58.31 52.71 3ktx n LYS 118 Cb 0.54 -2.07 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 3ktx n LYS 118 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3ktx s GLY 119 N -3.49 2.30 0.32 2.58 0.00 -0.24 -4.74 107.32 104.04 3ktx s GLY 119 Ca 0.44 0.53 0.06 0.00 0.00 0.00 0.00 44.72 45.76 3ktx s GLY 119 CO -0.11 0.86 0.26 -0.51 0.00 0.00 0.00 173.10 173.59 3ktx s THR 120 N -2.22 0.04 0.57 0.90 -4.23 0.50 -0.34 115.64 110.85 3ktx s THR 120 Ca 0.66 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.45 3ktx s THR 120 Cb -0.18 -2.49 0.39 0.00 1.34 0.00 0.00 72.50 71.56 3ktx s THR 120 CO 0.32 0.00 1.96 0.07 -0.54 0.00 0.00 174.62 176.43 3ktx h LYS 121 N 2.16 0.00 0.11 3.99 2.10 -1.90 -2.84 116.57 120.19 3ktx h LYS 121 Ca -0.26 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.05 3ktx h LYS 121 Cb 1.24 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 3ktx h LYS 121 CO 0.39 0.00 -1.78 -0.44 -2.00 0.00 0.00 179.45 175.61 3ktx h ASP 122 N 0.00 0.37 -3.28 7.07 3.32 -1.91 -3.43 116.42 118.56 3ktx h ASP 122 Ca 0.22 -0.68 -0.13 0.00 0.02 0.00 0.00 57.03 56.46 3ktx h ASP 122 Cb 1.05 -0.12 -0.27 0.00 0.22 0.00 0.00 39.33 40.21 3ktx h ASP 122 CO -0.00 1.59 -0.33 -0.75 -1.72 0.00 0.00 179.24 178.03 3ktx s LYS 123 N -2.58 0.36 0.17 3.56 2.20 -1.07 0.13 119.74 122.51 3ktx s LYS 123 Ca -0.15 0.73 -0.16 0.00 -0.36 0.00 0.00 55.97 56.03 3ktx s LYS 123 Cb 0.07 -0.03 0.03 0.00 -1.51 0.00 0.00 37.83 36.39 3ktx s LYS 123 CO 0.82 -0.15 0.46 -0.59 -0.36 0.00 0.00 175.35 175.53 3ktx s PHE 124 N 1.31 -0.12 0.13 4.03 -0.71 -0.37 -0.37 117.98 121.88 3ktx s PHE 124 Ca -0.09 -0.21 -0.13 0.00 -1.04 0.00 0.00 56.93 55.46 3ktx s PHE 124 Cb -0.08 0.31 -0.07 0.00 -1.21 0.00 0.00 43.02 41.97 3ktx s PHE 124 CO -0.11 -0.82 0.52 -0.47 -1.34 0.00 0.00 175.22 172.99 3ktx s TYR 125 N -3.85 3.60 -0.10 3.49 5.04 -1.26 -0.48 117.35 123.80 3ktx s TYR 125 Ca 0.07 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 3ktx s TYR 125 Cb 0.00 -2.33 0.02 0.00 0.35 0.00 0.00 41.96 40.01 3ktx s TYR 125 CO -0.06 0.45 -0.09 0.42 -1.34 0.00 0.00 175.55 174.93 3ktx s ILE 126 N -1.45 1.02 -2.00 3.14 1.01 -0.52 -0.55 121.20 121.85 3ktx s ILE 126 Ca 0.37 -0.33 0.12 0.00 0.00 0.00 0.00 60.65 60.81 3ktx s ILE 126 Cb -0.15 -1.01 0.34 0.00 0.01 0.00 0.00 42.46 41.65 3ktx s ILE 126 CO 0.19 0.35 1.23 -0.90 0.00 0.00 0.00 174.94 175.81 3ktx n ASP 127 N 4.58 0.00 -4.49 3.58 5.68 -0.16 -4.39 116.55 121.35 3ktx n ASP 127 Ca -0.16 -1.00 -0.43 0.00 -0.50 0.00 0.00 54.79 52.69 3ktx n ASP 127 Cb 0.51 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.44 3ktx n ASP 127 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3ktx s TYR 128 N -2.00 2.85 0.44 2.11 5.04 -1.26 -4.92 117.35 119.61 3ktx s TYR 128 Ca 0.18 -0.22 0.22 0.00 -2.44 0.00 0.00 57.07 54.81 3ktx s TYR 128 Cb 0.08 -3.95 1.30 0.00 0.35 0.00 0.00 41.96 39.74 3ktx s TYR 128 CO 0.14 -1.29 2.05 1.96 -1.34 0.00 0.00 175.55 177.07 3ktx h GLN 129 N 9.25 0.00 -0.20 4.97 4.20 -1.92 -0.08 115.11 131.33 3ktx h GLN 129 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3ktx h GLN 129 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 3ktx h GLN 129 CO 1.06 0.14 0.00 0.09 -0.67 0.00 0.00 178.83 179.45 3ktx n ASN 130 N -3.92 1.30 -0.29 1.46 3.02 -1.26 -4.54 115.26 111.02 3ktx n ASN 130 Ca -0.02 -1.86 -0.00 0.00 -0.03 0.00 0.00 54.58 52.67 3ktx n ASN 130 Cb 0.23 -0.13 0.06 0.00 -0.61 0.00 0.00 39.78 39.32 3ktx n ASN 130 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3ktx h LEU 131 N 1.52 -1.08 -0.95 3.41 5.85 -1.39 -2.40 115.31 120.27 3ktx h LEU 131 Ca 0.00 0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.87 3ktx h LEU 131 Cb 0.34 0.61 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3ktx h LEU 131 CO 0.00 -0.29 -0.50 0.28 -0.34 0.00 0.00 178.44 177.59 3ktx h SER 132 N -0.05 0.06 1.20 1.25 0.02 -1.84 -2.85 113.55 111.35 3ktx h SER 132 Ca 0.34 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3ktx h SER 132 Cb 0.59 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3ktx h SER 132 CO -0.85 0.56 -0.07 2.29 -1.14 0.00 0.00 176.83 177.61 3ktx n LYS 133 N -3.94 0.15 -0.01 3.45 2.85 -0.92 -3.87 118.16 115.87 3ktx n LYS 133 Ca -0.02 0.11 0.10 0.00 -1.05 0.00 0.00 58.31 57.46 3ktx n LYS 133 Cb 0.52 -1.67 -0.15 0.00 -0.65 0.00 0.00 35.03 33.09 3ktx n LYS 133 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3ktx n VAL 134 N -1.93 0.00 -3.73 0.58 0.31 -1.14 -4.93 118.33 107.50 3ktx n VAL 134 Ca 0.06 -0.42 -0.32 0.00 -0.01 0.00 0.00 64.34 63.65 3ktx n VAL 134 Cb 0.39 0.12 -0.05 0.00 -0.91 0.00 0.00 33.84 33.40 3ktx n VAL 134 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ktx s VAL 135 N -3.34 5.22 0.23 2.52 1.01 -1.09 -4.74 120.40 120.22 3ktx s VAL 135 Ca -0.06 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.01 3ktx s VAL 135 Cb 0.13 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3ktx s VAL 135 CO 0.83 0.10 -0.10 -0.13 0.00 0.00 0.00 175.10 175.80 3ktx s ARG 136 N -2.50 2.02 0.25 2.72 1.81 -1.26 -4.96 118.95 117.03 3ktx s ARG 136 Ca 0.38 -1.44 -0.30 0.00 -1.72 0.00 0.00 55.73 52.65 3ktx s ARG 136 Cb -0.12 -2.05 -0.14 0.00 -0.45 0.00 0.00 34.95 32.18 3ktx s ARG 136 CO 0.24 0.39 1.14 -2.30 -0.68 0.00 0.00 175.30 174.09 3ktx n PRO 137 N -0.40 1.45 0.00 3.54 -0.02 -1.26 -2.20 135.00 136.12 3ktx n PRO 137 Ca -0.08 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3ktx n PRO 137 Cb 0.58 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3ktx n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ktx n GLY 138 N 1.60 2.69 3.71 -1.23 0.00 0.11 -4.99 105.19 107.06 3ktx n GLY 138 Ca 0.11 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3ktx n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ktx s ASN 139 N 0.59 3.70 0.16 1.61 0.01 -0.93 -4.73 114.94 115.34 3ktx s ASN 139 Ca 0.00 2.25 0.05 0.00 -0.71 0.00 0.00 52.86 54.45 3ktx s ASN 139 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 3ktx s ASN 139 CO 0.00 -2.59 0.10 -0.31 -1.51 0.00 0.00 177.10 172.79 3ktx s TYR 140 N -2.33 3.09 -0.13 2.20 2.02 -1.26 -0.79 117.35 120.15 3ktx s TYR 140 Ca 0.70 -0.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.37 3ktx s TYR 140 Cb -0.26 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3ktx s TYR 140 CO 0.51 0.52 -0.13 0.42 -1.57 0.00 0.00 175.55 175.31 3ktx s ILE 141 N -1.70 1.40 -0.07 2.71 1.01 0.34 -4.40 121.20 120.48 3ktx s ILE 141 Ca 0.30 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 3ktx s ILE 141 Cb -0.10 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 3ktx s ILE 141 CO 0.22 0.43 0.20 -0.31 0.00 0.00 0.00 174.94 175.48 3ktx s TYR 142 N 1.39 3.61 0.01 3.97 1.51 -0.17 -0.33 117.35 127.33 3ktx s TYR 142 Ca 0.01 0.58 -0.02 0.00 -1.01 0.00 0.00 57.07 56.64 3ktx s TYR 142 Cb -0.13 -1.99 -0.01 0.00 -0.11 0.00 0.00 41.96 39.72 3ktx s TYR 142 CO -0.07 0.70 0.03 0.42 -1.11 0.00 0.00 175.55 175.51 3ktx s ILE 143 N -1.11 0.07 -0.53 2.71 1.01 -0.32 -0.61 121.20 122.42 3ktx s ILE 143 Ca 0.20 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 3ktx s ILE 143 Cb -0.13 -0.24 0.00 0.00 0.01 0.00 0.00 42.46 42.10 3ktx s ILE 143 CO 0.09 -0.33 0.55 -0.67 0.00 0.00 0.00 174.94 174.57 3ktx n ASP 144 N 1.98 -6.77 -4.38 3.58 2.03 -0.16 -1.94 116.55 110.88 3ktx n ASP 144 Ca -0.20 0.09 -0.35 0.00 0.52 0.00 0.00 54.79 54.84 3ktx n ASP 144 Cb 0.56 -4.54 -0.08 0.00 -0.72 0.00 0.00 41.12 36.34 3ktx n ASP 144 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3ktx n ASP 145 N -1.25 -0.36 0.00 1.67 8.00 -1.26 -0.79 116.55 122.56 3ktx n ASP 145 Ca 0.03 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.29 3ktx n ASP 145 Cb 0.46 -1.73 0.00 0.00 -0.02 0.00 0.00 41.12 39.83 3ktx n ASP 145 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ktx n GLY 146 N -1.93 0.14 0.07 0.44 0.00 -1.23 -4.89 105.19 97.79 3ktx n GLY 146 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 3ktx n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ktx h ILE 147 N 0.00 1.37 -3.34 -0.61 2.04 -0.85 -3.43 117.51 112.70 3ktx h ILE 147 Ca 0.00 -1.16 -0.58 0.00 1.00 0.00 0.00 64.86 64.13 3ktx h ILE 147 Cb 0.70 2.08 -0.07 0.00 -0.74 0.00 0.00 36.82 38.79 3ktx h ILE 147 CO 0.00 0.31 0.30 -0.22 0.00 0.00 0.00 178.15 178.54 3ktx s LEU 148 N -9.22 4.19 -0.16 1.44 2.96 -0.82 -4.95 118.68 112.12 3ktx s LEU 148 Ca -0.15 1.12 -0.00 0.00 -0.22 0.00 0.00 54.13 54.87 3ktx s LEU 148 Cb 0.03 -3.15 -0.00 0.00 0.50 0.00 0.00 46.19 43.56 3ktx s LEU 148 CO 0.69 -0.34 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.61 3ktx s ILE 149 N 1.92 2.73 -0.03 6.68 1.01 -1.26 -1.18 121.20 131.07 3ktx s ILE 149 Ca 0.37 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3ktx s ILE 149 Cb -0.17 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 3ktx s ILE 149 CO 0.13 0.51 -0.00 -0.76 0.00 0.00 0.00 174.94 174.82 3ktx s LEU 150 N 0.82 3.52 -0.16 2.97 1.43 0.55 -1.46 118.68 126.36 3ktx s LEU 150 Ca -0.05 0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 3ktx s LEU 150 Cb -0.15 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 3ktx s LEU 150 CO -0.00 0.31 -0.00 -1.58 0.23 0.00 0.00 176.35 175.31 3ktx s GLN 151 N -1.33 3.75 0.12 1.70 0.74 -0.01 -0.51 119.66 124.13 3ktx s GLN 151 Ca 0.17 -0.46 -0.31 0.00 0.05 0.00 0.00 55.36 54.81 3ktx s GLN 151 Cb -0.11 -3.01 -0.08 0.00 1.10 0.00 0.00 33.01 30.90 3ktx s GLN 151 CO 0.08 0.27 1.46 0.08 -0.55 0.00 0.00 175.29 176.62 3ktx s VAL 152 N 0.32 3.10 -0.20 1.34 1.01 0.03 -0.82 120.40 125.17 3ktx s VAL 152 Ca -0.01 0.77 -0.09 0.00 0.00 0.00 0.00 61.98 62.65 3ktx s VAL 152 Cb -0.13 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 3ktx s VAL 152 CO 0.02 0.05 -0.25 0.00 0.00 0.00 0.00 175.10 174.92 3ktx n GLN 153 N 4.10 0.44 -3.83 2.72 1.13 0.33 -0.72 117.38 121.56 3ktx n GLN 153 Ca 0.12 0.18 -0.06 0.00 -1.94 0.00 0.00 57.00 55.30 3ktx n GLN 153 Cb 0.41 -1.26 -0.01 0.00 0.11 0.00 0.00 30.24 29.50 3ktx n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3ktx s SER 154 N -6.71 -0.18 -0.54 1.08 1.04 -1.12 -4.68 113.70 102.59 3ktx s SER 154 Ca -0.28 -0.65 -0.24 0.00 0.48 0.00 0.00 55.95 55.26 3ktx s SER 154 Cb 0.10 0.68 0.04 0.00 0.10 0.00 0.00 66.02 66.94 3ktx s SER 154 CO 0.37 -1.28 0.92 -1.00 0.98 0.00 0.00 173.24 173.24 3ktx s HIS 155 N -3.41 2.82 0.30 5.02 3.76 -1.26 -1.22 115.29 121.30 3ktx s HIS 155 Ca 0.13 -0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.00 3ktx s HIS 155 Cb -0.05 -4.03 0.47 0.00 1.11 0.00 0.00 32.58 30.09 3ktx s HIS 155 CO 0.06 -1.31 1.91 1.49 -0.85 0.00 0.00 174.74 176.05 3ktx h GLU 156 N 9.27 0.91 0.00 1.40 4.57 -1.40 -3.47 114.58 125.86 3ktx h GLU 156 Ca -0.26 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 57.86 3ktx h GLU 156 Cb 1.08 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 3ktx h GLU 156 CO 1.07 0.69 0.19 -0.40 -1.18 0.00 0.00 179.01 179.39 3ktx n ASP 157 N -4.36 -0.54 -0.22 1.04 5.68 -0.69 -4.95 116.55 112.51 3ktx n ASP 157 Ca 0.06 -1.28 0.28 0.00 -0.50 0.00 0.00 54.79 53.34 3ktx n ASP 157 Cb 0.12 0.88 0.67 0.00 -1.14 0.00 0.00 41.12 41.66 3ktx n ASP 157 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3ktx h GLU 158 N 0.00 0.10 -0.09 0.11 4.81 -2.02 -2.13 114.58 115.35 3ktx h GLU 158 Ca -0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3ktx h GLU 158 Cb 0.38 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3ktx h GLU 158 CO 0.11 0.07 0.00 1.04 -0.73 0.00 0.00 179.01 179.50 3ktx n GLN 159 N -4.33 1.36 -3.78 1.92 6.02 -1.26 -4.78 117.38 112.53 3ktx n GLN 159 Ca 0.20 -1.31 -0.13 0.00 -0.01 0.00 0.00 57.00 55.75 3ktx n GLN 159 Cb 0.95 -1.13 -0.14 0.00 1.02 0.00 0.00 30.24 30.95 3ktx n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3ktx s THR 160 N -0.74 -0.03 -0.07 5.09 2.01 -0.80 -0.51 115.64 120.59 3ktx s THR 160 Ca 0.09 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.26 3ktx s THR 160 Cb 0.06 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.35 3ktx s THR 160 CO 0.08 0.05 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.10 3ktx s LEU 161 N 0.81 2.40 -0.08 4.42 1.43 -0.73 -1.02 118.68 125.91 3ktx s LEU 161 Ca -0.06 -0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 3ktx s LEU 161 Cb -0.08 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3ktx s LEU 161 CO -0.04 0.26 0.57 -0.70 0.23 0.00 0.00 176.35 176.68 3ktx s GLU 162 N -0.25 4.37 0.02 1.70 2.12 -0.35 -1.45 118.70 124.84 3ktx s GLU 162 Ca 0.00 0.64 0.04 0.00 0.36 0.00 0.00 54.97 56.01 3ktx s GLU 162 Cb -0.13 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 3ktx s GLU 162 CO 0.03 0.16 -0.11 0.00 -0.54 0.00 0.00 175.26 174.80 3ktx s THR 164 N -0.67 4.54 -0.50 0.00 2.01 -0.00 -1.18 115.64 119.84 3ktx s THR 164 Ca 0.01 1.40 -0.25 0.00 0.31 0.00 0.00 61.69 63.16 3ktx s THR 164 Cb -0.06 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.53 3ktx s THR 164 CO 0.00 0.36 0.93 -0.69 -0.69 0.00 0.00 174.62 174.54 3ktx s VAL 165 N -1.34 4.44 -0.09 3.82 1.01 -0.15 -0.83 120.40 127.26 3ktx s VAL 165 Ca 0.38 0.57 0.27 0.00 0.00 0.00 0.00 61.98 63.20 3ktx s VAL 165 Cb -0.19 -4.48 0.32 0.00 0.00 0.00 0.00 36.38 32.04 3ktx s VAL 165 CO 0.22 -0.94 1.79 0.71 0.00 0.00 0.00 175.10 176.88 3ktx h THR 166 N 6.06 0.17 -2.87 3.92 1.35 -1.56 0.27 112.91 120.24 3ktx h THR 166 Ca -0.25 -0.91 -0.08 0.00 -0.55 0.00 0.00 66.41 64.62 3ktx h THR 166 Cb 1.07 1.78 -0.18 0.00 -1.73 0.00 0.00 68.15 69.10 3ktx h THR 166 CO 1.05 0.08 -0.09 0.54 -0.25 0.00 0.00 175.52 176.84 3ktx s ASN 167 N -6.01 -0.32 0.00 5.36 4.22 -1.25 -4.76 114.94 112.18 3ktx s ASN 167 Ca 0.03 0.13 -0.30 0.00 -2.14 0.00 0.00 52.86 50.58 3ktx s ASN 167 Cb 0.08 0.42 -0.04 0.00 1.28 0.00 0.00 41.25 42.98 3ktx s ASN 167 CO 0.62 -0.61 1.18 -0.44 -2.04 0.00 0.00 177.10 175.80 3ktx s SER 168 N -1.73 7.10 -0.28 3.54 0.01 -1.26 -4.30 113.70 116.78 3ktx s SER 168 Ca -0.08 1.89 -0.20 0.00 1.31 0.00 0.00 55.95 58.87 3ktx s SER 168 Cb -0.02 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.74 3ktx s SER 168 CO 0.01 -0.50 0.80 -2.28 0.41 0.00 0.00 173.24 171.68 3ktx s HIS 169 N 1.58 -0.80 -0.11 2.43 5.04 -0.84 -4.98 115.29 117.61 3ktx s HIS 169 Ca 0.57 1.75 -0.24 0.00 -1.54 0.00 0.00 55.06 55.60 3ktx s HIS 169 Cb -0.26 0.43 -0.03 0.00 0.04 0.00 0.00 32.58 32.76 3ktx s HIS 169 CO 0.26 -0.39 0.75 0.99 -2.34 0.00 0.00 174.74 174.00 3ktx s THR 170 N 0.97 4.98 0.05 0.89 2.01 -1.26 -2.36 115.64 120.92 3ktx s THR 170 Ca -0.05 1.51 0.05 0.00 0.31 0.00 0.00 61.69 63.51 3ktx s THR 170 Cb -0.05 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3ktx s THR 170 CO -0.10 0.16 -0.06 0.27 -0.69 0.00 0.00 174.62 174.19 3ktx s ILE 171 N 1.36 3.64 0.20 1.82 -4.36 -0.76 -4.95 121.20 118.15 3ktx s ILE 171 Ca 0.38 -0.96 0.02 0.00 -0.26 0.00 0.00 60.65 59.83 3ktx s ILE 171 Cb -0.17 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 40.91 3ktx s ILE 171 CO 0.16 0.26 0.20 -1.54 0.24 0.00 0.00 174.94 174.26 3ktx n SER 172 N 1.11 1.26 -4.75 4.36 3.41 -1.26 -0.63 113.62 117.12 3ktx n SER 172 Ca -0.14 -1.62 -0.38 0.00 -0.26 0.00 0.00 58.87 56.48 3ktx n SER 172 Cb 0.52 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.44 3ktx n SER 172 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3ktx s ASP 173 N -2.19 5.28 -1.38 4.04 1.11 -1.20 -4.04 116.67 118.30 3ktx s ASP 173 Ca 0.15 2.63 -0.07 0.00 0.18 0.00 0.00 52.55 55.44 3ktx s ASP 173 Cb -0.01 -2.62 0.03 0.00 1.07 0.00 0.00 42.92 41.39 3ktx s ASP 173 CO 0.10 -1.55 0.95 0.54 1.18 0.00 0.00 175.17 176.39 3ktx n ARG 174 N -1.16 -6.09 -2.24 8.23 3.00 -0.51 -4.97 116.66 112.93 3ktx n ARG 174 Ca 0.11 0.69 -0.31 0.00 -0.01 0.00 0.00 57.85 58.34 3ktx n ARG 174 Cb 0.47 -5.55 -0.01 0.00 0.00 0.00 0.00 32.46 27.36 3ktx n ARG 174 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3ktx s ARG 175 N -6.18 3.74 0.31 5.56 3.00 -1.26 -4.67 118.95 119.46 3ktx s ARG 175 Ca 0.36 0.75 -0.25 0.00 0.00 0.00 0.00 55.73 56.59 3ktx s ARG 175 Cb -0.17 -2.16 -0.10 0.00 0.00 0.00 0.00 34.95 32.52 3ktx s ARG 175 CO 0.79 -0.37 0.92 0.20 0.00 0.00 0.00 175.30 176.83 3ktx s GLY 176 N -3.66 2.76 0.13 -3.53 0.00 -1.26 -0.45 107.32 101.30 3ktx s GLY 176 Ca 0.55 0.47 0.07 0.00 0.00 0.00 0.00 44.72 45.81 3ktx s GLY 176 CO 0.42 0.89 -0.16 -1.34 0.00 0.00 0.00 173.10 172.92 3ktx s VAL 177 N -1.63 1.50 0.03 1.40 -7.23 0.59 -0.99 120.40 114.07 3ktx s VAL 177 Ca 0.50 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 3ktx s VAL 177 Cb -0.18 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 3ktx s VAL 177 CO 0.23 -0.31 -0.07 0.20 -0.31 0.00 0.00 175.10 174.84 3ktx s ASN 178 N -2.35 0.77 -0.63 4.85 0.01 0.22 -4.56 114.94 113.24 3ktx s ASN 178 Ca 0.09 -0.49 0.03 0.00 -0.71 0.00 0.00 52.86 51.79 3ktx s ASN 178 Cb -0.06 0.03 0.16 0.00 0.41 0.00 0.00 41.25 41.78 3ktx s ASN 178 CO 0.04 -0.18 0.41 -0.76 -1.51 0.00 0.00 177.10 175.10 3ktx s LEU 179 N -1.39 4.70 0.47 0.60 1.02 -1.26 -1.00 118.68 121.82 3ktx s LEU 179 Ca -0.09 -3.39 0.17 0.00 0.02 0.00 0.00 54.13 50.84 3ktx s LEU 179 Cb -0.09 -1.68 1.13 0.00 0.02 0.00 0.00 46.19 45.57 3ktx s LEU 179 CO 0.00 -0.18 2.03 -0.65 0.02 0.00 0.00 176.35 177.57 3ktx h PRO 180 N 6.07 0.00 -0.67 1.29 0.11 -1.91 -2.09 132.00 134.80 3ktx h PRO 180 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3ktx h PRO 180 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3ktx h PRO 180 CO 0.72 0.16 0.00 0.41 -0.21 0.00 0.00 178.00 179.07 3ktx n GLY 181 N -1.00 2.69 3.22 -0.55 0.00 -1.26 -4.87 105.19 103.42 3ktx n GLY 181 Ca -0.02 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 3ktx n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktx s ASP 183 N -2.17 6.54 -0.02 0.00 1.01 -1.26 -4.90 116.67 115.87 3ktx s ASP 183 Ca 0.05 0.65 -0.30 0.00 0.71 0.00 0.00 52.55 53.66 3ktx s ASP 183 Cb -0.07 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 3ktx s ASP 183 CO 0.03 -1.30 1.07 -0.69 0.21 0.00 0.00 175.17 174.49 3ktx s VAL 184 N 4.78 4.57 -0.23 -1.27 1.01 -1.26 -4.93 120.40 123.05 3ktx s VAL 184 Ca 0.53 1.85 0.16 0.00 0.00 0.00 0.00 61.98 64.52 3ktx s VAL 184 Cb -0.10 -4.18 0.43 0.00 0.00 0.00 0.00 36.38 32.53 3ktx s VAL 184 CO 0.31 0.09 1.33 -0.90 0.00 0.00 0.00 175.10 175.92 3ktx n ASP 185 N 4.38 3.36 -4.50 3.32 3.85 -1.26 -5.01 116.55 120.70 3ktx n ASP 185 Ca 0.08 -2.90 -0.37 0.00 -0.71 0.00 0.00 54.79 50.90 3ktx n ASP 185 Cb 0.49 -0.47 0.06 0.00 -1.35 0.00 0.00 41.12 39.85 3ktx n ASP 185 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3ktx n LEU 186 N -0.62 1.55 -4.58 -2.12 4.77 -1.26 -4.97 117.00 109.76 3ktx n LEU 186 Ca 0.18 0.68 -0.31 0.00 -0.03 0.00 0.00 56.01 56.53 3ktx n LEU 186 Cb 0.76 -1.25 0.17 0.00 -2.33 0.00 0.00 43.42 40.78 3ktx n LEU 186 CO 0.11 -2.79 0.47 -2.65 -1.33 0.00 0.00 177.39 171.19 3ktx n PRO 187 N -0.65 -0.76 -0.15 3.23 -0.02 -1.26 -4.95 135.00 130.44 3ktx n PRO 187 Ca 0.11 -0.17 -0.09 0.00 -2.02 0.00 0.00 63.50 61.34 3ktx n PRO 187 Cb 0.49 -2.23 -0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3ktx n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ktx h ALA 188 N -1.96 0.57 -4.38 3.55 0.00 -1.93 -3.44 119.26 111.67 3ktx h ALA 188 Ca -0.46 -0.17 -0.62 0.00 0.00 0.00 0.00 54.91 53.66 3ktx h ALA 188 Cb 1.28 -0.17 -0.29 0.00 0.00 0.00 0.00 17.79 18.62 3ktx h ALA 188 CO 0.41 0.20 -0.86 0.14 0.00 0.00 0.00 179.25 179.14 3ktx s VAL 189 N -5.45 1.74 0.86 0.00 -7.23 -1.26 -4.63 120.40 104.43 3ktx s VAL 189 Ca -0.13 -1.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.89 3ktx s VAL 189 Cb 0.11 -1.46 0.12 0.00 0.56 0.00 0.00 36.38 35.71 3ktx s VAL 189 CO 0.77 0.42 1.22 -0.94 -0.31 0.00 0.00 175.10 176.26 3ktx s SER 190 N -0.69 4.04 0.20 4.85 1.04 -1.26 -4.90 113.70 116.98 3ktx s SER 190 Ca 0.08 0.59 -0.08 0.00 0.48 0.00 0.00 55.95 57.03 3ktx s SER 190 Cb -0.09 -0.94 0.13 0.00 0.10 0.00 0.00 66.02 65.23 3ktx s SER 190 CO -0.00 -2.18 1.73 0.00 0.98 0.00 0.00 173.24 173.77 3ktx h ALA 191 N -1.25 0.98 -0.53 5.32 0.00 -2.01 -2.48 119.26 119.30 3ktx h ALA 191 Ca -0.45 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 3ktx h ALA 191 Cb 1.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3ktx h ALA 191 CO 0.56 0.67 0.20 -0.22 0.00 0.00 0.00 179.25 180.47 3ktx h LYS 192 N 1.11 0.79 -0.57 0.00 3.64 -1.97 -2.85 116.57 116.71 3ktx h LYS 192 Ca 0.24 -0.15 0.11 0.00 -1.27 0.00 0.00 60.65 59.58 3ktx h LYS 192 Cb 0.33 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 3ktx h LYS 192 CO -0.00 0.70 0.09 -0.44 -2.27 0.00 0.00 179.45 177.53 3ktx h ASP 193 N 0.71 -0.06 -1.01 4.20 3.32 -1.86 0.48 116.42 122.21 3ktx h ASP 193 Ca 0.17 0.11 0.09 0.00 0.02 0.00 0.00 57.03 57.43 3ktx h ASP 193 Cb 0.21 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.85 3ktx h ASP 193 CO -0.01 -0.01 0.64 0.03 -1.72 0.00 0.00 179.24 178.17 3ktx h ARG 194 N 0.22 1.06 -0.21 3.56 3.08 -1.22 1.15 114.38 122.02 3ktx h ARG 194 Ca 0.30 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.14 3ktx h ARG 194 Cb 0.44 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3ktx h ARG 194 CO -0.41 0.70 -0.43 0.28 -1.07 0.00 0.00 179.97 179.04 3ktx h VAL 195 N 1.09 1.32 -0.16 2.04 2.07 -1.20 -2.53 116.25 118.87 3ktx h VAL 195 Ca 0.47 -1.65 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 3ktx h VAL 195 Cb 0.33 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3ktx h VAL 195 CO -0.22 0.52 -0.39 0.44 0.02 0.00 0.00 177.57 177.93 3ktx h ASP 196 N 0.36 0.38 -0.29 0.57 3.32 0.43 -2.45 116.42 118.73 3ktx h ASP 196 Ca 0.01 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.75 3ktx h ASP 196 Cb 1.03 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3ktx h ASP 196 CO 0.10 0.74 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.91 3ktx h LEU 197 N 0.30 0.88 -0.64 1.55 3.38 0.13 -1.10 115.31 119.82 3ktx h LEU 197 Ca 0.03 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 3ktx h LEU 197 Cb 0.83 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3ktx h LEU 197 CO 0.07 1.15 0.10 -0.61 0.09 0.00 0.00 178.44 179.24 3ktx h GLN 198 N 0.69 1.06 -0.63 1.13 5.75 -1.40 -0.90 115.11 120.80 3ktx h GLN 198 Ca 0.06 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 3ktx h GLN 198 Cb 0.94 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.34 3ktx h GLN 198 CO 0.09 0.98 0.24 0.35 -2.65 0.00 0.00 178.83 177.84 3ktx h PHE 199 N 0.97 0.97 -0.65 3.99 3.57 -1.25 -1.05 116.94 123.50 3ktx h PHE 199 Ca 0.19 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 3ktx h PHE 199 Cb 0.44 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3ktx h PHE 199 CO 0.03 0.78 0.25 0.78 -2.23 0.00 0.00 178.31 177.92 3ktx h GLY 200 N 0.88 1.02 0.92 2.40 0.00 -0.70 0.82 103.07 108.41 3ktx h GLY 200 Ca 0.21 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3ktx h GLY 200 CO -0.01 0.51 0.12 -2.08 0.00 0.00 0.00 176.54 175.07 3ktx h VAL 201 N 0.94 1.17 -0.51 4.60 2.07 -0.85 -1.50 116.25 122.18 3ktx h VAL 201 Ca 0.22 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3ktx h VAL 201 Cb 0.19 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3ktx h VAL 201 CO -0.02 0.18 0.27 -0.33 0.02 0.00 0.00 177.57 177.69 3ktx h GLU 202 N 0.32 0.70 -0.31 1.57 5.08 -0.60 -2.60 114.58 118.74 3ktx h GLU 202 Ca 0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ktx h GLU 202 Cb 0.17 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3ktx h GLU 202 CO -0.01 0.52 0.00 1.04 -1.00 0.00 0.00 179.01 179.56 3ktx n GLN 203 N -4.40 1.86 -3.07 2.33 1.13 0.23 -4.96 117.38 110.50 3ktx n GLN 203 Ca 0.04 -1.32 -0.16 0.00 -1.94 0.00 0.00 57.00 53.62 3ktx n GLN 203 Cb 0.10 -1.34 0.04 0.00 0.11 0.00 0.00 30.24 29.15 3ktx n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ktx n GLY 204 N 1.14 -0.10 3.77 1.08 0.00 -0.98 -5.01 105.19 105.08 3ktx n GLY 204 Ca 0.14 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3ktx n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ktx s VAL 205 N -3.13 3.02 0.04 1.61 -7.23 -0.60 -4.97 120.40 109.14 3ktx s VAL 205 Ca 0.33 0.59 0.10 0.00 -1.81 0.00 0.00 61.98 61.19 3ktx s VAL 205 Cb -0.15 -3.19 -0.19 0.00 0.56 0.00 0.00 36.38 33.42 3ktx s VAL 205 CO 0.41 -0.18 1.12 0.44 -0.31 0.00 0.00 175.10 176.58 3ktx h ASP 206 N 0.81 0.00 -4.87 4.85 3.32 -1.63 -3.46 116.42 115.44 3ktx h ASP 206 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3ktx h ASP 206 Cb 1.27 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.67 3ktx h ASP 206 CO 0.56 0.93 0.28 0.00 -1.72 0.00 0.00 179.24 179.29 3ktx s MET 207 N -2.71 1.09 -0.12 3.56 0.23 -1.22 -2.18 119.30 117.96 3ktx s MET 207 Ca -0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 55.69 54.44 3ktx s MET 207 Cb 0.09 0.51 -0.02 0.00 -1.53 0.00 0.00 34.83 33.88 3ktx s MET 207 CO 0.81 -0.44 -0.12 0.42 -2.03 0.00 0.00 175.02 173.67 3ktx s ILE 208 N -2.81 3.18 -0.55 3.16 -1.09 0.45 -1.77 121.20 121.76 3ktx s ILE 208 Ca -0.01 -0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 57.59 3ktx s ILE 208 Cb -0.01 -2.32 0.09 0.00 -1.58 0.00 0.00 42.46 38.64 3ktx s ILE 208 CO -0.06 0.54 0.64 -0.36 -1.23 0.00 0.00 174.94 174.47 3ktx s PHE 209 N 0.12 3.05 -0.34 3.97 0.08 0.06 -0.23 117.98 124.69 3ktx s PHE 209 Ca -0.06 -0.86 -0.22 0.00 0.12 0.00 0.00 56.93 55.92 3ktx s PHE 209 Cb -0.15 -3.79 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 3ktx s PHE 209 CO 0.04 -1.15 0.71 0.00 -0.10 0.00 0.00 175.22 174.72 3ktx s ALA 210 N 2.50 3.47 0.50 5.36 0.00 0.31 -1.73 121.76 132.16 3ktx s ALA 210 Ca 0.11 -0.69 -0.21 0.00 0.00 0.00 0.00 51.96 51.17 3ktx s ALA 210 Cb -0.23 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 3ktx s ALA 210 CO 0.08 -1.34 1.17 -1.12 0.00 0.00 0.00 175.76 174.55 3ktx s SER 211 N 1.76 5.89 -1.35 0.00 0.01 -1.26 -1.17 113.70 117.57 3ktx s SER 211 Ca 0.28 2.30 -0.09 0.00 1.31 0.00 0.00 55.95 59.75 3ktx s SER 211 Cb -0.14 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.50 3ktx s SER 211 CO 0.15 -1.11 1.18 0.33 0.41 0.00 0.00 173.24 174.20 3ktx n PHE 212 N -0.88 -2.86 -2.65 2.43 7.35 -1.20 -4.83 117.46 114.81 3ktx n PHE 212 Ca 0.09 1.01 -0.42 0.00 -0.76 0.00 0.00 57.45 57.38 3ktx n PHE 212 Cb 0.49 -5.04 -0.03 0.00 0.35 0.00 0.00 39.48 35.25 3ktx n PHE 212 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3ktx s ILE 213 N -3.32 4.71 -0.01 -2.13 -1.09 -0.68 -4.91 121.20 113.78 3ktx s ILE 213 Ca 0.56 1.95 0.02 0.00 -2.23 0.00 0.00 60.65 60.95 3ktx s ILE 213 Cb -0.25 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 36.35 3ktx s ILE 213 CO 0.73 0.11 0.03 0.54 -1.23 0.00 0.00 174.94 175.12 3ktx n ARG 214 N 4.20 1.31 -3.68 2.79 1.74 -1.26 -4.12 116.66 117.63 3ktx n ARG 214 Ca 0.07 -0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.04 3ktx n ARG 214 Cb 0.50 -1.04 -0.04 0.00 -1.02 0.00 0.00 32.46 30.86 3ktx n ARG 214 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ktx s SER 215 N -2.53 -0.27 0.33 0.55 1.04 -1.26 -3.76 113.70 107.80 3ktx s SER 215 Ca -0.01 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.04 3ktx s SER 215 Cb 0.01 0.54 0.58 0.00 0.10 0.00 0.00 66.02 67.24 3ktx s SER 215 CO 0.07 -0.97 1.97 0.00 0.98 0.00 0.00 173.24 175.28 3ktx h ALA 216 N 2.25 1.47 -0.36 5.32 0.00 -1.85 -2.74 119.26 123.34 3ktx h ALA 216 Ca -0.31 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3ktx h ALA 216 Cb 1.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3ktx h ALA 216 CO 0.41 0.45 0.00 1.49 0.00 0.00 0.00 179.25 181.61 3ktx h GLU 217 N 0.85 0.57 0.00 0.00 4.81 -1.97 -1.44 114.58 117.39 3ktx h GLU 217 Ca 0.22 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3ktx h GLU 217 Cb -0.00 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 3ktx h GLU 217 CO -0.04 0.59 -0.06 1.96 -0.73 0.00 0.00 179.01 180.73 3ktx h GLN 218 N 0.54 0.00 -0.27 1.92 4.20 -1.91 -2.54 115.11 117.06 3ktx h GLN 218 Ca 0.12 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3ktx h GLN 218 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3ktx h GLN 218 CO 0.01 0.06 -0.02 0.28 -0.67 0.00 0.00 178.83 178.50 3ktx h VAL 219 N 0.00 1.26 -0.39 -0.54 2.07 -1.37 -1.57 116.25 115.71 3ktx h VAL 219 Ca -0.00 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.58 3ktx h VAL 219 Cb 0.32 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3ktx h VAL 219 CO 0.01 0.30 0.26 1.23 0.02 0.00 0.00 177.57 179.39 3ktx h GLY 220 N 0.26 0.50 1.00 2.17 0.00 -1.53 -1.16 103.07 104.30 3ktx h GLY 220 Ca 0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 3ktx h GLY 220 CO 0.02 0.16 -0.15 -0.55 0.00 0.00 0.00 176.54 176.02 3ktx h ASP 221 N 0.46 0.81 -0.77 0.19 3.32 -1.11 0.78 116.42 120.10 3ktx h ASP 221 Ca 0.15 -0.39 0.06 0.00 0.02 0.00 0.00 57.03 56.88 3ktx h ASP 221 Cb 0.06 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.32 3ktx h ASP 221 CO -0.04 1.02 0.45 0.58 -1.72 0.00 0.00 179.24 179.54 3ktx h VAL 222 N 0.60 0.99 0.06 -1.35 2.07 -0.81 -0.72 116.25 117.10 3ktx h VAL 222 Ca 0.09 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3ktx h VAL 222 Cb 0.69 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3ktx h VAL 222 CO 0.05 0.15 -0.03 -0.09 0.02 0.00 0.00 177.57 177.67 3ktx h ARG 223 N 0.82 -0.08 -0.61 1.57 9.65 -0.91 -2.16 114.38 122.67 3ktx h ARG 223 Ca 0.34 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.34 3ktx h ARG 223 Cb 0.20 0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 28.71 3ktx h ARG 223 CO -0.18 -0.01 0.13 0.87 2.80 0.00 0.00 179.97 183.58 3ktx h LYS 224 N -0.12 0.25 -0.22 0.20 1.57 -0.60 -0.69 116.57 116.96 3ktx h LYS 224 Ca -0.01 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3ktx h LYS 224 Cb 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3ktx h LYS 224 CO 0.01 0.17 0.24 0.00 -0.57 0.00 0.00 179.45 179.29 3ktx h ALA 225 N 1.49 1.88 0.00 3.86 0.00 -0.61 -0.29 119.26 125.58 3ktx h ALA 225 Ca 0.32 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3ktx h ALA 225 Cb 0.48 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ktx h ALA 225 CO -0.41 -0.35 -0.44 -0.07 0.00 0.00 0.00 179.25 177.99 3ktx h LEU 226 N 0.00 0.00 -0.05 0.00 3.38 -0.51 -3.41 115.31 114.72 3ktx h LEU 226 Ca 0.10 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3ktx h LEU 226 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3ktx h LEU 226 CO -0.00 0.26 -0.09 0.61 0.09 0.00 0.00 178.44 179.31 3ktx n GLY 227 N 1.19 -1.70 0.33 0.83 0.00 -0.12 -3.37 105.19 102.34 3ktx n GLY 227 Ca 0.02 -1.47 0.04 0.00 0.00 0.00 0.00 46.02 44.61 3ktx n GLY 227 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ktx h PRO 228 N -0.18 0.70 0.00 1.61 0.11 -1.90 -1.60 132.00 130.75 3ktx h PRO 228 Ca -0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3ktx h PRO 228 Cb 0.17 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3ktx h PRO 228 CO 0.00 0.46 0.00 1.63 -0.21 0.00 0.00 178.00 179.89 3ktx n LYS 229 N -4.46 0.09 -0.58 1.05 5.02 -1.26 -3.11 118.16 114.91 3ktx n LYS 229 Ca 0.06 0.16 0.08 0.00 -2.02 0.00 0.00 58.31 56.59 3ktx n LYS 229 Cb 0.10 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 33.92 3ktx n LYS 229 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ktx n GLY 230 N 0.40 3.72 0.25 0.72 0.00 -0.60 -4.75 105.19 104.93 3ktx n GLY 230 Ca 0.06 -1.01 0.15 0.00 0.00 0.00 0.00 46.02 45.22 3ktx n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ktx h ARG 231 N 2.47 0.00 -0.21 1.61 0.11 -1.64 -2.70 114.38 114.02 3ktx h ARG 231 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3ktx h ARG 231 Cb 1.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.68 3ktx h ARG 231 CO 0.30 0.02 0.00 -0.25 0.10 0.00 0.00 179.97 180.14 3ktx n ASP 232 N -3.11 2.67 -4.74 0.08 8.00 -1.26 -4.91 116.55 113.27 3ktx n ASP 232 Ca 0.02 -1.87 -0.40 0.00 0.71 0.00 0.00 54.79 53.25 3ktx n ASP 232 Cb 0.40 -0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.32 3ktx n ASP 232 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ktx s ILE 233 N -1.74 4.38 0.15 0.53 1.01 -1.02 -4.99 121.20 119.52 3ktx s ILE 233 Ca 0.35 2.00 -0.27 0.00 0.00 0.00 0.00 60.65 62.73 3ktx s ILE 233 Cb 0.21 -4.29 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 3ktx s ILE 233 CO 0.30 0.40 0.82 -0.04 0.00 0.00 0.00 174.94 176.42 3ktx s MET 234 N -0.47 4.62 -0.32 2.79 -1.94 -0.92 -4.91 119.30 118.14 3ktx s MET 234 Ca 0.43 1.23 -0.09 0.00 -1.71 0.00 0.00 55.69 55.55 3ktx s MET 234 Cb -0.24 -3.29 0.00 0.00 2.01 0.00 0.00 34.83 33.31 3ktx s MET 234 CO 0.30 0.48 0.15 0.42 -0.01 0.00 0.00 175.02 176.36 3ktx s ILE 235 N -0.86 4.48 -0.26 2.53 1.01 -1.26 -0.42 121.20 126.42 3ktx s ILE 235 Ca 0.38 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 3ktx s ILE 235 Cb -0.23 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3ktx s ILE 235 CO 0.27 -0.00 0.12 -0.63 0.00 0.00 0.00 174.94 174.70 3ktx s ILE 236 N 1.58 4.73 -0.13 2.92 -1.09 0.68 -1.02 121.20 128.88 3ktx s ILE 236 Ca 0.04 -0.03 -0.21 0.00 -2.23 0.00 0.00 60.65 58.22 3ktx s ILE 236 Cb -0.18 -3.23 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 3ktx s ILE 236 CO 0.06 0.31 0.63 0.00 -1.23 0.00 0.00 174.94 174.70 3ktx s LYS 238 N 1.17 4.23 -0.29 0.00 1.02 -0.32 -0.79 119.74 124.76 3ktx s LYS 238 Ca 0.32 0.63 -0.10 0.00 0.02 0.00 0.00 55.97 56.84 3ktx s LYS 238 Cb -0.16 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.56 3ktx s LYS 238 CO 0.13 -0.20 0.15 0.42 -0.92 0.00 0.00 175.35 174.93 3ktx s ILE 239 N 1.76 4.75 0.00 2.17 -1.09 -0.11 -1.68 121.20 127.00 3ktx s ILE 239 Ca 0.29 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 3ktx s ILE 239 Cb -0.16 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 3ktx s ILE 239 CO 0.11 0.18 0.12 -0.62 -1.23 0.00 0.00 174.94 173.50 3ktx n GLU 240 N 5.00 0.11 -2.86 2.79 1.02 -1.26 -2.91 120.64 122.52 3ktx n GLU 240 Ca -0.14 -0.12 -0.08 0.00 -0.02 0.00 0.00 57.16 56.80 3ktx n GLU 240 Cb 0.51 -0.56 -0.01 0.00 -0.02 0.00 0.00 31.44 31.36 3ktx n GLU 240 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3ktx n ASN 241 N -0.05 -0.92 0.10 1.62 6.94 -1.26 -3.34 115.26 118.34 3ktx n ASN 241 Ca 0.00 -2.04 0.05 0.00 -0.02 0.00 0.00 54.58 52.57 3ktx n ASN 241 Cb 0.15 1.66 0.49 0.00 -2.36 0.00 0.00 39.78 39.71 3ktx n ASN 241 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3ktx h HIS 242 N 1.58 0.32 -0.36 -2.53 2.07 -1.94 -2.12 115.15 112.17 3ktx h HIS 242 Ca -0.17 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.27 3ktx h HIS 242 Cb 0.69 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 30.55 3ktx h HIS 242 CO 0.00 0.22 -0.10 1.96 -3.07 0.00 0.00 177.93 176.95 3ktx h GLN 243 N 0.34 0.71 -0.60 5.12 4.20 -1.93 0.23 115.11 123.19 3ktx h GLN 243 Ca 0.09 -0.28 0.01 0.00 0.06 0.00 0.00 58.65 58.53 3ktx h GLN 243 Cb 0.01 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3ktx h GLN 243 CO -0.02 0.87 0.40 0.78 -0.67 0.00 0.00 178.83 180.19 3ktx h GLY 244 N 0.50 0.84 0.90 3.46 0.00 -1.49 -0.26 103.07 107.02 3ktx h GLY 244 Ca 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3ktx h GLY 244 CO 0.04 0.31 -0.09 -2.08 0.00 0.00 0.00 176.54 174.71 3ktx h VAL 245 N 0.81 0.86 -0.89 4.60 2.07 -1.18 -1.50 116.25 121.02 3ktx h VAL 245 Ca 0.22 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3ktx h VAL 245 Cb -0.09 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 3ktx h VAL 245 CO -0.05 0.05 0.55 -0.61 0.02 0.00 0.00 177.57 177.53 3ktx h GLN 246 N -0.36 0.94 -0.45 1.57 5.75 -0.44 -2.26 115.11 119.85 3ktx h GLN 246 Ca -0.03 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3ktx h GLN 246 Cb 0.28 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3ktx h GLN 246 CO 0.04 0.62 0.00 0.09 -2.65 0.00 0.00 178.83 176.93 3ktx n ASN 247 N -4.63 2.41 -0.34 -0.69 3.02 -0.12 -4.64 115.26 110.28 3ktx n ASN 247 Ca 0.14 -2.02 0.18 0.00 -0.03 0.00 0.00 54.58 52.85 3ktx n ASN 247 Cb 0.22 -0.31 0.40 0.00 -0.61 0.00 0.00 39.78 39.48 3ktx n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3ktx h ILE 248 N 2.56 0.53 -0.35 2.41 6.09 -0.64 -1.75 117.51 126.36 3ktx h ILE 248 Ca 0.00 -0.19 -0.02 0.00 -1.37 0.00 0.00 64.86 63.28 3ktx h ILE 248 Cb 0.62 -0.08 -0.02 0.00 0.47 0.00 0.00 36.82 37.81 3ktx h ILE 248 CO 0.01 0.10 0.15 0.44 -3.07 0.00 0.00 178.15 175.79 3ktx h ASP 249 N 0.56 0.47 0.83 2.19 3.32 -1.84 0.70 116.42 122.65 3ktx h ASP 249 Ca 0.64 -0.15 -0.20 0.00 0.02 0.00 0.00 57.03 57.35 3ktx h ASP 249 Cb 1.26 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 3ktx h ASP 249 CO -0.46 0.49 -0.93 0.77 -1.72 0.00 0.00 179.24 177.38 3ktx h SER 250 N 0.42 0.08 -0.05 6.45 4.64 -1.74 -1.59 113.55 121.75 3ktx h SER 250 Ca 0.12 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3ktx h SER 250 Cb 0.15 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3ktx h SER 250 CO -0.01 0.96 0.02 0.40 -0.87 0.00 0.00 176.83 177.33 3ktx h ILE 251 N 0.02 1.12 -0.51 0.95 2.04 -1.12 -2.71 117.51 117.30 3ktx h ILE 251 Ca -0.02 -0.35 0.09 0.00 1.00 0.00 0.00 64.86 65.57 3ktx h ILE 251 Cb 1.62 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.90 3ktx h ILE 251 CO 0.13 0.10 0.11 0.40 0.00 0.00 0.00 178.15 178.88 3ktx h ILE 252 N -0.06 0.72 -0.65 -0.67 2.04 -0.76 -0.17 117.51 117.96 3ktx h ILE 252 Ca 0.02 -0.08 0.12 0.00 1.00 0.00 0.00 64.86 65.91 3ktx h ILE 252 Cb 0.14 0.45 -0.09 0.00 -0.74 0.00 0.00 36.82 36.58 3ktx h ILE 252 CO -0.00 0.05 0.18 -0.08 0.00 0.00 0.00 178.15 178.29 3ktx h GLU 253 N 0.25 0.30 0.00 2.37 4.81 -1.05 -2.71 114.58 118.55 3ktx h GLU 253 Ca 0.25 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3ktx h GLU 253 Cb 0.34 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3ktx h GLU 253 CO -0.33 0.20 -0.59 0.93 -0.73 0.00 0.00 179.01 178.49 3ktx h GLU 254 N 0.31 0.00 -7.49 1.92 4.39 -1.14 -3.47 114.58 109.09 3ktx h GLU 254 Ca 0.34 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.59 3ktx h GLU 254 Cb 0.52 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.28 3ktx h GLU 254 CO -0.41 0.28 0.30 -1.54 -1.16 0.00 0.00 179.01 176.48 3ktx s SER 255 N -6.15 4.04 0.00 1.42 1.04 -0.11 -4.95 113.70 108.98 3ktx s SER 255 Ca 0.03 0.25 0.17 0.00 0.48 0.00 0.00 55.95 56.88 3ktx s SER 255 Cb 0.07 -0.59 0.28 0.00 0.10 0.00 0.00 66.02 65.88 3ktx s SER 255 CO 0.74 -2.12 1.19 0.47 0.98 0.00 0.00 173.24 174.51 3ktx n ASP 256 N -3.27 2.86 0.00 7.02 8.00 -0.19 -4.96 116.55 126.02 3ktx n ASP 256 Ca 0.12 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.78 3ktx n ASP 256 Cb 0.60 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 3ktx n ASP 256 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ktx n GLY 257 N 1.03 1.36 3.00 0.44 0.00 -1.22 -4.10 105.19 105.70 3ktx n GLY 257 Ca 0.13 -1.11 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 3ktx n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ktx s ILE 258 N -2.00 0.70 -0.22 -0.61 -1.09 -0.59 -1.54 121.20 115.85 3ktx s ILE 258 Ca 0.00 -0.35 -0.08 0.00 -2.23 0.00 0.00 60.65 57.99 3ktx s ILE 258 Cb 0.00 -0.61 -0.04 0.00 -1.58 0.00 0.00 42.46 40.23 3ktx s ILE 258 CO 0.00 0.21 0.09 -0.32 -1.23 0.00 0.00 174.94 173.69 3ktx s MET 259 N -0.01 3.87 -0.57 2.79 -2.45 0.03 -0.54 119.30 122.42 3ktx s MET 259 Ca 0.00 -0.38 -0.21 0.00 -1.25 0.00 0.00 55.69 53.86 3ktx s MET 259 Cb -0.06 -3.34 0.07 0.00 1.25 0.00 0.00 34.83 32.75 3ktx s MET 259 CO -0.00 0.03 0.77 0.08 1.05 0.00 0.00 175.02 176.95 3ktx s VAL 260 N 1.06 4.67 -0.95 10.11 1.01 0.21 -0.94 120.40 135.57 3ktx s VAL 260 Ca 0.05 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 3ktx s VAL 260 Cb -0.14 -4.47 0.16 0.00 0.00 0.00 0.00 36.38 31.93 3ktx s VAL 260 CO 0.04 -1.08 1.10 0.00 0.00 0.00 0.00 175.10 175.16 3ktx s ALA 261 N 3.14 3.62 0.27 5.51 0.00 -1.15 -2.06 121.76 131.09 3ktx s ALA 261 Ca 0.18 -2.98 -0.03 0.00 0.00 0.00 0.00 51.96 49.13 3ktx s ALA 261 Cb -0.19 -3.95 0.34 0.00 0.00 0.00 0.00 23.12 19.32 3ktx s ALA 261 CO 0.11 -2.81 1.83 0.00 0.00 0.00 0.00 175.76 174.89 3ktx h ARG 262 N 8.37 0.95 -0.16 0.00 -0.00 -1.80 -1.46 114.38 120.28 3ktx h ARG 262 Ca 0.17 -0.17 -0.22 0.00 -0.50 0.00 0.00 59.98 59.26 3ktx h ARG 262 Cb 1.00 -0.15 0.01 0.00 0.00 0.00 0.00 29.97 30.83 3ktx h ARG 262 CO 1.06 0.80 -0.76 0.78 0.00 0.00 0.00 179.97 181.85 3ktx h GLY 263 N 1.03 0.87 0.85 0.04 0.00 -1.84 0.17 103.07 104.18 3ktx h GLY 263 Ca 0.21 -1.22 -0.04 0.00 0.00 0.00 0.00 47.33 46.28 3ktx h GLY 263 CO -0.01 1.09 -0.01 -0.55 0.00 0.00 0.00 176.54 177.05 3ktx h ASP 264 N 0.52 0.44 -0.80 0.19 3.32 -1.85 -2.65 116.42 115.59 3ktx h ASP 264 Ca -0.05 -0.32 0.10 0.00 0.02 0.00 0.00 57.03 56.78 3ktx h ASP 264 Cb 1.39 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.75 3ktx h ASP 264 CO 0.16 0.66 0.44 -0.07 -1.72 0.00 0.00 179.24 178.71 3ktx h LEU 265 N 0.22 0.62 -0.31 1.55 3.38 -1.21 -2.07 115.31 117.48 3ktx h LEU 265 Ca 0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ktx h LEU 265 Cb 0.44 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ktx h LEU 265 CO 0.01 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.50 3ktx n GLY 266 N -1.32 -0.85 0.21 0.83 0.00 0.58 -1.18 105.19 103.46 3ktx n GLY 266 Ca 0.13 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 3ktx n GLY 266 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ktx h VAL 267 N 0.00 1.31 0.00 1.61 2.07 -1.17 -3.35 116.25 116.72 3ktx h VAL 267 Ca 0.00 -1.74 -0.28 0.00 0.82 0.00 0.00 66.70 65.50 3ktx h VAL 267 Cb 0.15 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 3ktx h VAL 267 CO 0.00 0.55 -2.02 -0.62 0.02 0.00 0.00 177.57 175.50 3ktx n GLU 268 N -4.13 0.66 -5.27 1.57 1.02 -0.91 -4.80 120.64 108.79 3ktx n GLU 268 Ca -0.06 0.09 -0.31 0.00 -0.02 0.00 0.00 57.16 56.86 3ktx n GLU 268 Cb 0.61 -1.64 -0.16 0.00 -0.02 0.00 0.00 31.44 30.22 3ktx n GLU 268 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ktx s ILE 269 N -2.69 2.04 0.37 -3.67 1.01 -0.33 -4.89 121.20 113.03 3ktx s ILE 269 Ca -0.07 -1.07 -0.25 0.00 0.00 0.00 0.00 60.65 59.26 3ktx s ILE 269 Cb 0.08 -1.72 -0.12 0.00 0.01 0.00 0.00 42.46 40.71 3ktx s ILE 269 CO 0.83 0.57 0.87 -2.65 0.00 0.00 0.00 174.94 174.56 3ktx n PRO 270 N 2.83 1.08 -0.33 2.79 -0.02 -1.26 -4.37 135.00 135.72 3ktx n PRO 270 Ca -0.17 0.39 -0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3ktx n PRO 270 Cb 0.52 -1.79 0.13 0.00 -0.02 0.00 0.00 33.50 32.34 3ktx n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ktx h ALA 271 N 1.46 1.20 -0.93 3.55 0.00 -1.96 -0.98 119.26 121.61 3ktx h ALA 271 Ca -0.41 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.54 3ktx h ALA 271 Cb 1.36 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3ktx h ALA 271 CO 0.57 0.39 0.60 1.05 0.00 0.00 0.00 179.25 181.86 3ktx h GLU 272 N 1.09 1.02 -0.31 0.00 9.09 -2.01 -1.84 114.58 121.62 3ktx h GLU 272 Ca 0.37 -0.06 -0.11 0.00 0.05 0.00 0.00 59.36 59.60 3ktx h GLU 272 Cb 0.06 -0.23 -0.01 0.00 -1.65 0.00 0.00 28.75 26.92 3ktx h GLU 272 CO -0.14 0.67 -0.28 0.87 0.05 0.00 0.00 179.01 180.19 3ktx h LYS 273 N 1.05 0.63 -0.75 1.06 1.57 -1.57 -3.10 116.57 115.47 3ktx h LYS 273 Ca 0.40 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3ktx h LYS 273 Cb 0.22 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3ktx h LYS 273 CO -0.16 0.84 0.23 0.28 -0.57 0.00 0.00 179.45 180.07 3ktx h VAL 274 N 0.54 1.26 -0.74 0.50 2.07 -0.91 0.28 116.25 119.25 3ktx h VAL 274 Ca 0.07 -0.92 0.16 0.00 0.82 0.00 0.00 66.70 66.83 3ktx h VAL 274 Cb 0.76 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 30.86 3ktx h VAL 274 CO 0.06 0.36 0.23 0.58 0.02 0.00 0.00 177.57 178.82 3ktx h VAL 275 N 1.12 0.56 -0.04 2.57 2.07 -1.33 0.73 116.25 121.92 3ktx h VAL 275 Ca 0.24 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 67.46 3ktx h VAL 275 Cb 0.31 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3ktx h VAL 275 CO -0.01 0.06 -0.70 0.58 0.02 0.00 0.00 177.57 177.52 3ktx h VAL 276 N 0.33 1.36 -0.71 2.57 2.07 -1.37 -2.90 116.25 117.61 3ktx h VAL 276 Ca 0.42 -2.04 0.02 0.00 0.82 0.00 0.00 66.70 65.91 3ktx h VAL 276 Cb 0.70 2.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 3ktx h VAL 276 CO -0.47 0.61 0.47 0.00 0.02 0.00 0.00 177.57 178.20 3ktx h ALA 277 N 0.40 1.54 -0.76 1.67 0.00 -0.04 -1.52 119.26 120.54 3ktx h ALA 277 Ca -0.08 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3ktx h ALA 277 Cb 1.37 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 3ktx h ALA 277 CO 0.14 0.41 0.42 0.37 0.00 0.00 0.00 179.25 180.59 3ktx h GLN 278 N 0.92 0.70 -0.48 0.00 4.15 -0.77 -0.03 115.11 119.60 3ktx h GLN 278 Ca 0.27 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 3ktx h GLN 278 Cb -0.04 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 3ktx h GLN 278 CO -0.07 0.46 0.21 0.87 -1.93 0.00 0.00 178.83 178.37 3ktx h LYS 279 N 0.72 0.70 0.25 1.69 1.57 -1.10 -1.45 116.57 118.95 3ktx h LYS 279 Ca 0.36 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3ktx h LYS 279 Cb 0.32 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3ktx h LYS 279 CO -0.24 0.61 -0.12 0.82 -0.57 0.00 0.00 179.45 179.95 3ktx h ILE 280 N 0.63 0.80 -0.66 1.86 2.04 -1.18 -1.48 117.51 119.51 3ktx h ILE 280 Ca 0.16 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3ktx h ILE 280 Cb 0.16 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3ktx h ILE 280 CO -0.02 0.11 0.31 -0.07 0.00 0.00 0.00 178.15 178.48 3ktx h LEU 281 N -0.61 0.87 -0.22 1.44 4.07 -0.96 0.42 115.31 120.32 3ktx h LEU 281 Ca -0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.77 3ktx h LEU 281 Cb 0.44 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 3ktx h LEU 281 CO 0.06 0.76 0.07 0.40 -1.08 0.00 0.00 178.44 178.65 3ktx h ILE 282 N 0.91 1.18 -0.77 1.22 2.04 -1.27 -1.53 117.51 119.29 3ktx h ILE 282 Ca 0.23 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 3ktx h ILE 282 Cb 0.13 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3ktx h ILE 282 CO -0.03 0.18 0.34 0.28 0.00 0.00 0.00 178.15 178.93 3ktx h SER 283 N 0.18 1.02 -0.85 1.72 0.02 -1.00 -0.50 113.55 114.14 3ktx h SER 283 Ca 0.07 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 3ktx h SER 283 Cb 0.22 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 3ktx h SER 283 CO -0.00 0.88 0.41 0.11 -1.14 0.00 0.00 176.83 177.09 3ktx h LYS 284 N 1.10 1.23 -0.74 3.45 1.57 -0.68 -0.71 116.57 121.79 3ktx h LYS 284 Ca 0.26 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3ktx h LYS 284 Cb 0.15 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3ktx h LYS 284 CO -0.03 0.94 0.27 0.00 -0.57 0.00 0.00 179.45 180.06 3ktx h ASN 286 N 1.08 0.62 -0.16 0.00 -0.26 -0.65 0.30 115.58 116.51 3ktx h ASN 286 Ca 0.24 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.87 3ktx h ASN 286 Cb 0.25 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 3ktx h ASN 286 CO -0.01 0.43 -0.31 0.58 -1.06 0.00 0.00 177.43 177.05 3ktx h VAL 287 N 0.75 1.28 0.00 2.81 2.07 -0.92 -1.97 116.25 120.27 3ktx h VAL 287 Ca 0.25 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3ktx h VAL 287 Cb 0.04 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3ktx h VAL 287 CO -0.11 0.46 0.00 0.00 0.02 0.00 0.00 177.57 177.94 3ktx n ALA 288 N -2.50 2.03 -2.05 1.67 0.00 -0.15 -4.91 120.51 114.60 3ktx n ALA 288 Ca -0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 3ktx n ALA 288 Cb 0.47 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 3ktx n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ktx n GLY 289 N 0.54 0.16 3.32 0.00 0.00 0.01 -5.03 105.19 104.20 3ktx n GLY 289 Ca 0.08 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 3ktx n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ktx s LYS 290 N -4.26 2.45 0.52 1.61 1.02 -0.92 -4.76 119.74 115.39 3ktx s LYS 290 Ca 0.00 -0.86 -0.22 0.00 0.02 0.00 0.00 55.97 54.90 3ktx s LYS 290 Cb 0.00 -2.19 -0.05 0.00 -0.52 0.00 0.00 37.83 35.07 3ktx s LYS 290 CO 0.00 0.47 1.32 -1.25 -0.92 0.00 0.00 175.35 174.98 3ktx s PRO 291 N -0.38 3.29 -0.02 -1.68 0.04 -1.26 -4.47 135.00 130.52 3ktx s PRO 291 Ca 0.03 2.15 0.02 0.00 0.04 0.00 0.00 61.00 63.24 3ktx s PRO 291 Cb -0.12 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.12 3ktx s PRO 291 CO 0.02 -1.04 -0.06 0.54 0.04 0.00 0.00 177.00 176.49 3ktx s VAL 292 N -1.35 0.59 -0.14 -0.36 0.11 -1.26 -1.54 120.40 116.46 3ktx s VAL 292 Ca 0.69 -0.24 -0.00 0.00 -2.93 0.00 0.00 61.98 59.50 3ktx s VAL 292 Cb -0.38 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 3ktx s VAL 292 CO 0.46 0.20 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.66 3ktx s ILE 293 N 0.33 2.99 -0.26 7.04 1.01 0.30 -1.41 121.20 131.20 3ktx s ILE 293 Ca -0.04 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 3ktx s ILE 293 Cb -0.09 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3ktx s ILE 293 CO 0.00 0.52 0.43 0.00 0.00 0.00 0.00 174.94 175.89 3ktx s ALA 295 N 2.12 0.92 0.28 0.00 0.00 -0.88 -1.66 121.76 122.55 3ktx s ALA 295 Ca 0.18 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3ktx s ALA 295 Cb -0.16 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3ktx s ALA 295 CO 0.09 -0.14 0.00 0.25 0.00 0.00 0.00 175.76 175.96 3ktx n THR 296 N 0.43 -3.34 -3.63 0.00 -2.24 -1.26 -2.72 114.28 101.51 3ktx n THR 296 Ca -0.15 1.30 -0.22 0.00 -2.27 0.00 0.00 64.05 62.71 3ktx n THR 296 Cb 0.59 -1.81 0.04 0.00 -2.10 0.00 0.00 70.33 67.05 3ktx n THR 296 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ktx n GLN 297 N -0.90 -3.96 -0.10 -0.78 6.02 -1.26 -4.71 117.38 111.68 3ktx n GLN 297 Ca 0.00 0.63 -0.16 0.00 -0.01 0.00 0.00 57.00 57.46 3ktx n GLN 297 Cb 0.00 -5.09 -0.07 0.00 1.02 0.00 0.00 30.24 26.10 3ktx n GLN 297 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3ktx n MET 298 N -4.12 0.53 -2.61 -1.09 2.81 -1.26 -4.62 117.12 106.75 3ktx n MET 298 Ca -0.24 0.44 -0.11 0.00 -1.81 0.00 0.00 57.70 55.98 3ktx n MET 298 Cb 0.66 -1.63 0.03 0.00 -0.71 0.00 0.00 33.22 31.57 3ktx n MET 298 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ktx n LEU 299 N -4.46 2.37 -0.28 4.03 4.77 -1.26 -4.66 117.00 117.50 3ktx n LEU 299 Ca -0.26 -3.90 0.18 0.00 -0.03 0.00 0.00 56.01 52.00 3ktx n LEU 299 Cb 0.57 0.22 0.47 0.00 -2.33 0.00 0.00 43.42 42.34 3ktx n LEU 299 CO 0.14 1.60 1.22 -0.08 -1.33 0.00 0.00 177.39 178.93 3ktx h GLU 300 N 2.76 0.48 0.00 3.23 4.81 -1.97 -0.73 114.58 123.15 3ktx h GLU 300 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3ktx h GLU 300 Cb 1.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3ktx h GLU 300 CO 0.51 0.32 0.00 0.66 -0.73 0.00 0.00 179.01 179.76 3ktx h SER 301 N 0.49 0.00 -0.06 1.04 4.64 -1.92 -0.78 113.55 116.96 3ktx h SER 301 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3ktx h SER 301 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3ktx h SER 301 CO -0.24 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 176.52 3ktx n MET 302 N -2.36 1.22 -0.19 4.77 0.00 -0.28 -2.03 117.12 118.25 3ktx n MET 302 Ca 0.02 -0.33 -0.07 0.00 -0.00 0.00 0.00 57.70 57.32 3ktx n MET 302 Cb 0.24 -1.25 0.02 0.00 0.00 0.00 0.00 33.22 32.23 3ktx n MET 302 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 3ktx h THR 303 N 0.62 1.17 0.00 1.12 2.02 -1.29 -3.39 112.91 113.16 3ktx h THR 303 Ca 0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3ktx h THR 303 Cb 0.14 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3ktx h THR 303 CO 0.00 0.18 -0.59 -1.22 0.37 0.00 0.00 175.52 174.26 3ktx n TYR 304 N -4.64 0.00 -4.07 3.16 4.01 -1.20 0.45 117.16 114.87 3ktx n TYR 304 Ca 0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.47 3ktx n TYR 304 Cb 0.07 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.03 3ktx n TYR 304 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3ktx s ASN 305 N -1.55 5.39 0.08 7.72 0.02 -0.86 -4.96 114.94 120.78 3ktx s ASN 305 Ca 0.00 -0.06 0.19 0.00 -1.02 0.00 0.00 52.86 51.97 3ktx s ASN 305 Cb 0.00 -1.40 0.78 0.00 0.02 0.00 0.00 41.25 40.65 3ktx s ASN 305 CO 0.00 0.17 1.58 -0.81 0.02 0.00 0.00 177.10 178.07 3ktx n PRO 306 N 0.48 0.07 -4.05 -0.60 -0.04 -1.26 -4.22 135.00 125.37 3ktx n PRO 306 Ca -0.09 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 3ktx n PRO 306 Cb 0.52 -1.62 -0.12 0.00 -0.04 0.00 0.00 33.50 32.24 3ktx n PRO 306 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3ktx s ARG 307 N -3.10 0.42 0.72 0.54 0.52 -1.26 -5.00 118.95 111.79 3ktx s ARG 307 Ca 0.07 -0.54 -0.03 0.00 -0.52 0.00 0.00 55.73 54.71 3ktx s ARG 307 Cb 0.10 -0.21 0.11 0.00 0.52 0.00 0.00 34.95 35.47 3ktx s ARG 307 CO 0.33 0.04 1.00 -1.25 0.02 0.00 0.00 175.30 175.44 3ktx s PRO 308 N -1.10 1.78 0.73 3.54 0.04 -1.26 -4.42 135.00 134.31 3ktx s PRO 308 Ca -0.08 -0.82 -0.11 0.00 0.04 0.00 0.00 61.00 60.03 3ktx s PRO 308 Cb -0.07 -2.27 0.03 0.00 0.04 0.00 0.00 34.50 32.22 3ktx s PRO 308 CO -0.00 -1.41 1.08 0.95 0.04 0.00 0.00 177.00 177.66 3ktx s THR 309 N -3.19 3.59 0.23 1.26 -4.23 -1.26 -4.93 115.64 107.12 3ktx s THR 309 Ca 0.65 0.52 -0.05 0.00 -1.18 0.00 0.00 61.69 61.62 3ktx s THR 309 Cb -0.07 -3.36 0.14 0.00 1.34 0.00 0.00 72.50 70.55 3ktx s THR 309 CO 0.44 -0.67 1.77 -0.09 -0.54 0.00 0.00 174.62 175.53 3ktx h ARG 310 N -0.80 1.02 -0.57 3.99 2.43 -2.00 -2.23 114.38 116.23 3ktx h ARG 310 Ca -0.45 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 58.46 3ktx h ARG 310 Cb 1.24 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 3ktx h ARG 310 CO 0.60 0.90 0.25 0.00 -1.51 0.00 0.00 179.97 180.21 3ktx h ALA 311 N 1.20 1.36 -0.51 2.80 0.00 -1.99 -1.95 119.26 120.17 3ktx h ALA 311 Ca 0.21 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3ktx h ALA 311 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ktx h ALA 311 CO -0.00 0.49 0.05 0.93 0.00 0.00 0.00 179.25 180.72 3ktx h GLU 312 N 0.81 0.88 -0.65 0.00 5.08 -1.73 -1.42 114.58 117.55 3ktx h GLU 312 Ca 0.20 -0.25 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3ktx h GLU 312 Cb 0.13 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 3ktx h GLU 312 CO -0.02 0.88 0.33 0.28 -1.00 0.00 0.00 179.01 179.48 3ktx h VAL 313 N 0.75 0.91 0.00 3.13 2.07 -1.15 -1.79 116.25 120.17 3ktx h VAL 313 Ca 0.15 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 3ktx h VAL 313 Cb 0.45 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3ktx h VAL 313 CO 0.02 0.11 -0.46 0.77 0.02 0.00 0.00 177.57 178.03 3ktx h SER 314 N 0.59 0.00 0.13 0.57 4.64 -0.84 -2.25 113.55 116.39 3ktx h SER 314 Ca 0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 3ktx h SER 314 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3ktx h SER 314 CO -0.22 0.46 -0.06 -0.78 -0.87 0.00 0.00 176.83 175.36 3ktx h ASP 315 N 0.00 -0.15 -0.53 4.97 3.58 -0.80 -0.60 116.42 122.89 3ktx h ASP 315 Ca -0.00 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 3ktx h ASP 315 Cb 0.82 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 3ktx h ASP 315 CO 0.06 -0.08 0.29 0.58 -2.88 0.00 0.00 179.24 177.22 3ktx h VAL 316 N -0.21 1.18 -0.71 2.25 2.07 -1.06 -0.88 116.25 118.90 3ktx h VAL 316 Ca -0.02 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 3ktx h VAL 316 Cb 0.16 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3ktx h VAL 316 CO 0.03 0.19 0.21 0.00 0.02 0.00 0.00 177.57 178.02 3ktx h ALA 317 N 1.13 1.03 -0.02 1.67 0.00 -1.29 -2.81 119.26 118.97 3ktx h ALA 317 Ca 0.19 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3ktx h ALA 317 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ktx h ALA 317 CO -0.03 0.65 -0.55 -0.91 0.00 0.00 0.00 179.25 178.41 3ktx h ASN 318 N 1.06 0.05 -0.80 0.00 2.35 -0.80 0.17 115.58 117.60 3ktx h ASN 318 Ca 0.23 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3ktx h ASN 318 Cb 0.32 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 3ktx h ASN 318 CO -0.01 0.59 0.41 0.00 -1.65 0.00 0.00 177.43 176.77 3ktx h ALA 319 N 1.41 1.19 -0.17 -0.83 0.00 -0.91 0.17 119.26 120.13 3ktx h ALA 319 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3ktx h ALA 319 Cb 0.98 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ktx h ALA 319 CO 0.07 0.63 -0.22 0.28 0.00 0.00 0.00 179.25 180.01 3ktx h VAL 320 N 1.15 1.35 -0.92 0.00 2.07 -1.25 -1.68 116.25 116.96 3ktx h VAL 320 Ca 0.28 -1.42 0.11 0.00 0.82 0.00 0.00 66.70 66.50 3ktx h VAL 320 Cb 0.08 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 3ktx h VAL 320 CO -0.04 0.42 0.59 -0.26 0.02 0.00 0.00 177.57 178.31 3ktx h PHE 321 N 0.08 0.98 0.00 1.57 0.04 -0.77 -0.98 116.94 117.86 3ktx h PHE 321 Ca 0.02 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3ktx h PHE 321 Cb 0.78 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 3ktx h PHE 321 CO 0.09 0.42 -0.13 -0.91 -0.60 0.00 0.00 178.31 177.18 3ktx h ASN 322 N 0.88 0.00 0.00 2.17 -0.26 -0.56 -3.47 115.58 114.34 3ktx h ASN 322 Ca 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.18 3ktx h ASN 322 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 3ktx h ASN 322 CO -0.21 0.13 0.00 0.61 -1.06 0.00 0.00 177.43 176.90 3ktx n GLY 323 N -0.92 1.45 3.77 2.83 0.00 -0.37 -4.54 105.19 107.41 3ktx n GLY 323 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3ktx n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktx n ALA 324 N -0.25 2.27 0.03 4.61 0.00 -0.65 -4.91 120.51 121.62 3ktx n ALA 324 Ca 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 53.44 53.62 3ktx n ALA 324 Cb 0.00 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.01 3ktx n ALA 324 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ktx h ASP 325 N 2.75 0.68 -4.81 0.00 5.19 -1.56 -3.45 116.42 115.21 3ktx h ASP 325 Ca -0.51 -0.47 -0.21 0.00 -0.62 0.00 0.00 57.03 55.22 3ktx h ASP 325 Cb 1.25 -0.20 -0.17 0.00 0.18 0.00 0.00 39.33 40.39 3ktx h ASP 325 CO 0.63 1.24 -0.70 0.00 -3.12 0.00 0.00 179.24 177.29 3ktx s VAL 327 N -2.84 1.09 -0.02 0.00 -7.23 -0.32 -0.61 120.40 110.48 3ktx s VAL 327 Ca 0.02 -0.98 0.05 0.00 -1.81 0.00 0.00 61.98 59.26 3ktx s VAL 327 Cb 0.00 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.94 3ktx s VAL 327 CO -0.04 0.01 -0.16 -0.32 -0.31 0.00 0.00 175.10 174.29 3ktx s MET 328 N -1.10 1.38 -0.09 4.82 0.00 -0.66 -1.09 119.30 122.55 3ktx s MET 328 Ca 0.02 -0.56 0.01 0.00 0.00 0.00 0.00 55.69 55.15 3ktx s MET 328 Cb -0.08 -1.30 -0.02 0.00 0.00 0.00 0.00 34.83 33.43 3ktx s MET 328 CO 0.01 0.31 -0.10 -0.51 0.00 0.00 0.00 175.02 174.73 3ktx s LEU 329 N -0.25 2.94 0.00 4.11 1.43 -0.08 -4.34 118.68 122.49 3ktx s LEU 329 Ca 0.03 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3ktx s LEU 329 Cb -0.07 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.50 3ktx s LEU 329 CO 0.00 0.28 0.00 -1.20 0.23 0.00 0.00 176.35 175.66 3ktx n SER 330 N 2.75 0.00 0.24 2.29 7.64 -1.26 -1.54 113.62 123.74 3ktx n SER 330 Ca -0.18 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.83 3ktx n SER 330 Cb 0.53 0.00 0.53 0.00 -1.01 0.00 0.00 64.21 64.26 3ktx n SER 330 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3ktx h GLY 331 N 0.00 0.00 1.07 0.23 0.00 -1.97 -0.48 103.07 101.93 3ktx h GLY 331 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 3ktx h GLY 331 CO 0.00 0.00 0.41 0.83 0.00 0.00 0.00 176.54 177.78 3ktx h GLU 332 N 0.00 0.48 0.00 4.80 3.07 -1.89 0.18 114.58 121.22 3ktx h GLU 332 Ca -0.00 -0.03 -0.24 0.00 -0.50 0.00 0.00 59.36 58.59 3ktx h GLU 332 Cb 0.66 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.42 3ktx h GLU 332 CO 0.02 0.32 -1.92 0.25 -1.40 0.00 0.00 179.01 176.28 3ktx n THR 333 N -4.48 0.92 0.01 1.13 -2.24 -0.88 -3.66 114.28 105.09 3ktx n THR 333 Ca 0.10 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 3ktx n THR 333 Cb 0.32 -0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 67.68 3ktx n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ktx h ALA 334 N 0.44 0.03 0.00 6.98 0.00 -0.18 -3.37 119.26 123.15 3ktx h ALA 334 Ca -0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ktx h ALA 334 Cb 1.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3ktx h ALA 334 CO -0.01 -0.40 0.00 0.36 0.00 0.00 0.00 179.25 179.21 3ktx n LYS 335 N -5.00 1.21 -2.18 0.00 2.85 -0.60 -1.81 118.16 112.62 3ktx n LYS 335 Ca -0.07 -0.90 -0.27 0.00 -1.05 0.00 0.00 58.31 56.02 3ktx n LYS 335 Cb 0.10 -0.70 0.13 0.00 -0.65 0.00 0.00 35.03 33.90 3ktx n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3ktx s GLY 336 N -0.41 1.74 0.18 2.58 0.00 -0.05 -4.82 107.32 106.54 3ktx s GLY 336 Ca 0.00 -1.23 0.23 0.00 0.00 0.00 0.00 44.72 43.71 3ktx s GLY 336 CO 0.00 -0.64 1.03 1.17 0.00 0.00 0.00 173.10 174.66 3ktx n LYS 337 N -3.25 0.57 -2.56 2.90 4.81 0.17 -4.47 118.16 116.33 3ktx n LYS 337 Ca 0.13 0.10 -0.17 0.00 -0.87 0.00 0.00 58.31 57.49 3ktx n LYS 337 Cb 0.60 -1.79 0.02 0.00 0.02 0.00 0.00 35.03 33.88 3ktx n LYS 337 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3ktx n TYR 338 N -2.58 2.22 -0.17 5.64 4.01 -1.26 -4.94 117.16 120.08 3ktx n TYR 338 Ca 0.00 -2.89 -0.02 0.00 -0.16 0.00 0.00 57.90 54.83 3ktx n TYR 338 Cb 0.54 -0.24 0.08 0.00 -0.31 0.00 0.00 39.34 39.40 3ktx n TYR 338 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ktx h PRO 339 N 2.77 0.31 -0.28 -0.72 0.13 -1.78 -0.24 132.00 132.19 3ktx h PRO 339 Ca 0.09 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 3ktx h PRO 339 Cb 1.08 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 3ktx h PRO 339 CO 0.65 0.21 0.11 -0.91 -0.23 0.00 0.00 178.00 177.83 3ktx h ASN 340 N 0.32 0.40 -0.36 1.44 2.35 -1.91 -2.76 115.58 115.05 3ktx h ASN 340 Ca 0.26 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 3ktx h ASN 340 Cb 0.32 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3ktx h ASN 340 CO -0.29 0.47 -0.21 -0.33 -1.65 0.00 0.00 177.43 175.42 3ktx h GLU 341 N 0.31 0.85 -0.43 0.81 3.07 -1.81 -1.24 114.58 116.13 3ktx h GLU 341 Ca 0.09 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.59 3ktx h GLU 341 Cb 0.20 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 3ktx h GLU 341 CO -0.01 0.98 0.19 -0.24 -1.40 0.00 0.00 179.01 178.53 3ktx h VAL 342 N 0.74 1.19 -0.70 3.13 3.04 -1.03 0.61 116.25 123.23 3ktx h VAL 342 Ca 0.10 -0.56 -0.07 0.00 -1.01 0.00 0.00 66.70 65.17 3ktx h VAL 342 Cb 0.74 0.76 -0.03 0.00 -2.01 0.00 0.00 31.29 30.75 3ktx h VAL 342 CO 0.06 0.21 0.17 0.58 -1.01 0.00 0.00 177.57 177.58 3ktx h VAL 343 N 0.55 1.26 -0.53 1.51 2.07 -1.36 0.78 116.25 120.54 3ktx h VAL 343 Ca 0.15 -0.97 -0.11 0.00 0.82 0.00 0.00 66.70 66.59 3ktx h VAL 343 Cb 0.15 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3ktx h VAL 343 CO -0.02 0.37 -0.11 1.56 0.02 0.00 0.00 177.57 179.40 3ktx h GLN 344 N 1.06 1.00 -0.30 1.57 4.20 -1.03 -0.91 115.11 120.70 3ktx h GLN 344 Ca 0.22 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 3ktx h GLN 344 Cb 0.37 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3ktx h GLN 344 CO 0.00 1.04 -0.08 -0.92 -0.67 0.00 0.00 178.83 178.20 3ktx h TYR 345 N 0.89 0.67 -0.49 2.96 3.20 -0.65 -2.08 116.97 121.46 3ktx h TYR 345 Ca 0.14 -0.15 0.09 0.00 3.14 0.00 0.00 58.73 61.95 3ktx h TYR 345 Cb 0.67 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.70 3ktx h TYR 345 CO 0.04 0.79 0.04 1.98 -1.64 0.00 0.00 178.16 179.37 3ktx h MET 346 N 0.36 0.15 -0.62 1.82 4.05 -0.67 -0.21 114.93 119.81 3ktx h MET 346 Ca 0.08 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.54 3ktx h MET 346 Cb 0.58 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.29 3ktx h MET 346 CO 0.03 0.10 0.34 0.00 0.23 0.00 0.00 176.91 177.62 3ktx h ALA 347 N 1.42 0.82 -0.71 0.39 0.00 -1.14 -1.14 119.26 118.90 3ktx h ALA 347 Ca 0.25 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3ktx h ALA 347 Cb 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3ktx h ALA 347 CO -0.38 0.03 0.34 -0.09 0.00 0.00 0.00 179.25 179.14 3ktx h ARG 348 N 0.65 1.03 -0.26 0.00 2.43 -0.63 0.10 114.38 117.70 3ktx h ARG 348 Ca 0.27 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3ktx h ARG 348 Cb 0.14 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3ktx h ARG 348 CO -0.16 0.81 0.08 0.82 -1.51 0.00 0.00 179.97 180.02 3ktx h ILE 349 N 1.00 1.20 0.09 1.20 2.04 -0.73 -1.37 117.51 120.93 3ktx h ILE 349 Ca 0.24 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3ktx h ILE 349 Cb 0.13 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3ktx h ILE 349 CO -0.03 0.21 -0.14 0.00 0.00 0.00 0.00 178.15 178.19 3ktx h LEU 351 N -0.27 0.49 -0.45 0.00 5.85 -0.96 0.15 115.31 120.13 3ktx h LEU 351 Ca 0.02 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3ktx h LEU 351 Cb 0.29 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3ktx h LEU 351 CO -0.07 0.24 0.04 -0.08 -0.34 0.00 0.00 178.44 178.24 3ktx h GLU 352 N 0.62 0.76 -0.44 1.25 4.57 -0.82 -2.31 114.58 118.22 3ktx h GLU 352 Ca 0.41 -0.22 -0.12 0.00 -1.18 0.00 0.00 59.36 58.24 3ktx h GLU 352 Cb 0.51 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3ktx h GLU 352 CO -0.32 0.80 -0.22 0.00 -1.18 0.00 0.00 179.01 178.09 3ktx h ALA 353 N 0.93 0.79 -0.60 2.92 0.00 -0.72 -2.74 119.26 119.84 3ktx h ALA 353 Ca 0.13 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3ktx h ALA 353 Cb 0.43 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3ktx h ALA 353 CO 0.01 0.65 0.14 0.37 0.00 0.00 0.00 179.25 180.43 3ktx h GLN 354 N 0.76 0.94 0.00 0.00 4.15 -0.59 -1.27 115.11 119.11 3ktx h GLN 354 Ca 0.10 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 3ktx h GLN 354 Cb 0.76 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 3ktx h GLN 354 CO 0.06 0.85 -0.05 0.77 -1.93 0.00 0.00 178.83 178.53 3ktx h SER 355 N 0.90 0.00 0.59 -0.69 0.02 -1.12 -1.32 113.55 111.94 3ktx h SER 355 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3ktx h SER 355 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3ktx h SER 355 CO 0.00 0.05 -0.98 0.00 -1.14 0.00 0.00 176.83 174.76 3ktx n ALA 356 N -2.36 3.13 -2.50 3.77 0.00 -0.66 -4.92 120.51 116.96 3ktx n ALA 356 Ca -0.03 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 3ktx n ALA 356 Cb 0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 3ktx n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ktx s LEU 357 N -4.24 4.42 -0.77 0.00 0.20 -0.50 -4.84 118.68 112.95 3ktx s LEU 357 Ca 0.03 1.62 -0.22 0.00 0.69 0.00 0.00 54.13 56.25 3ktx s LEU 357 Cb 0.13 -3.47 0.09 0.00 -0.43 0.00 0.00 46.19 42.51 3ktx s LEU 357 CO 0.79 -0.13 1.06 0.21 -0.29 0.00 0.00 176.35 177.99 3ktx s ASN 358 N 0.46 6.34 0.40 3.68 2.47 -1.26 -4.91 114.94 122.12 3ktx s ASN 358 Ca 0.46 -1.33 0.10 0.00 0.42 0.00 0.00 52.86 52.52 3ktx s ASN 358 Cb -0.21 -2.43 0.83 0.00 -1.45 0.00 0.00 41.25 37.99 3ktx s ASN 358 CO 0.27 -1.35 1.94 -0.33 -3.72 0.00 0.00 177.10 173.91 3ktx h GLU 359 N 9.38 0.21 -0.76 0.43 3.07 -1.92 -2.52 114.58 122.47 3ktx h GLU 359 Ca -0.11 -0.04 0.12 0.00 -0.50 0.00 0.00 59.36 58.83 3ktx h GLU 359 Cb 1.05 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.88 3ktx h GLU 359 CO 1.18 0.34 0.50 -0.92 -1.40 0.00 0.00 179.01 178.71 3ktx h TYR 360 N 0.21 0.61 -0.85 4.33 3.20 -1.91 -0.52 116.97 122.04 3ktx h TYR 360 Ca 0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3ktx h TYR 360 Cb 0.33 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 3ktx h TYR 360 CO 0.00 0.26 0.48 0.28 -1.64 0.00 0.00 178.16 177.54 3ktx h VAL 361 N 0.55 1.25 -0.11 1.81 2.07 -1.84 0.14 116.25 120.11 3ktx h VAL 361 Ca 0.37 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3ktx h VAL 361 Cb 0.67 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3ktx h VAL 361 CO -0.13 0.27 -0.12 -0.26 0.02 0.00 0.00 177.57 177.35 3ktx h PHE 362 N 1.19 0.33 -0.11 1.57 -1.00 -1.24 -1.39 116.94 116.28 3ktx h PHE 362 Ca 0.30 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 61.02 3ktx h PHE 362 Cb 0.01 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 39.46 3ktx h PHE 362 CO 0.00 0.69 -0.13 0.35 -1.61 0.00 0.00 178.31 177.62 3ktx h PHE 363 N -0.13 -0.33 -0.39 -0.55 3.57 -0.94 0.53 116.94 118.70 3ktx h PHE 363 Ca 0.02 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 3ktx h PHE 363 Cb 0.64 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 3ktx h PHE 363 CO 0.09 -0.20 -0.02 -0.97 -2.23 0.00 0.00 178.31 174.98 3ktx h ASN 364 N -0.17 0.69 -0.67 0.41 -0.00 -0.76 0.11 115.58 115.19 3ktx h ASN 364 Ca 0.09 -0.32 -0.05 0.00 -0.00 0.00 0.00 56.30 56.01 3ktx h ASN 364 Cb 0.29 -0.19 -0.03 0.00 -0.00 0.00 0.00 38.32 38.39 3ktx h ASN 364 CO -0.21 0.84 0.22 0.28 -0.00 0.00 0.00 177.43 178.56 3ktx h SER 365 N 0.51 0.97 -0.34 1.15 0.02 -1.11 -1.33 113.55 113.42 3ktx h SER 365 Ca 0.11 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.73 3ktx h SER 365 Cb 0.50 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3ktx h SER 365 CO 0.02 0.91 -0.28 0.40 -1.14 0.00 0.00 176.83 176.74 3ktx h ILE 366 N 0.97 1.29 -0.55 3.27 2.04 -0.64 -3.07 117.51 120.82 3ktx h ILE 366 Ca 0.22 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3ktx h ILE 366 Cb 0.29 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3ktx h ILE 366 CO -0.01 0.47 0.36 0.50 0.00 0.00 0.00 178.15 179.47 3ktx h LYS 367 N 0.58 0.72 0.00 2.37 3.64 -0.50 -2.30 116.57 121.09 3ktx h LYS 367 Ca 0.06 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ktx h LYS 367 Cb 0.86 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3ktx h LYS 367 CO 0.07 0.49 -0.02 0.87 -2.27 0.00 0.00 179.45 178.59 3ktx h LYS 368 N 0.74 0.00 0.00 1.90 1.57 -1.18 -1.64 116.57 117.96 3ktx h LYS 368 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3ktx h LYS 368 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3ktx h LYS 368 CO -0.04 0.02 -0.02 1.28 -0.57 0.00 0.00 179.45 180.12 3ktx n LEU 369 N -3.74 0.06 -4.76 2.94 4.77 -0.87 -4.89 117.00 110.51 3ktx n LEU 369 Ca -0.03 0.49 -0.41 0.00 -0.03 0.00 0.00 56.01 56.03 3ktx n LEU 369 Cb 0.10 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 3ktx n LEU 369 CO 0.27 -0.01 0.94 -1.10 -1.33 0.00 0.00 177.39 176.17 3ktx s GLN 370 N -3.01 4.41 0.10 3.23 -1.52 -0.62 -5.00 119.66 117.26 3ktx s GLN 370 Ca 0.14 2.12 -0.23 0.00 -1.95 0.00 0.00 55.36 55.43 3ktx s GLN 370 Cb 0.19 -3.11 -0.07 0.00 -0.22 0.00 0.00 33.01 29.80 3ktx s GLN 370 CO 0.54 -0.12 0.69 -1.58 -0.25 0.00 0.00 175.29 174.57 3ktx s HIS 371 N -0.96 3.82 -0.19 0.91 5.65 -1.26 -5.01 115.29 118.25 3ktx s HIS 371 Ca 0.49 1.45 -0.11 0.00 0.25 0.00 0.00 55.06 57.14 3ktx s HIS 371 Cb -0.38 -2.68 -0.05 0.00 -1.18 0.00 0.00 32.58 28.29 3ktx s HIS 371 CO 0.48 0.47 0.19 0.42 -0.65 0.00 0.00 174.74 175.65 3ktx s ILE 372 N -0.82 5.37 0.27 0.89 1.09 -1.26 -2.91 121.20 123.82 3ktx s ILE 372 Ca 0.34 0.31 -0.29 0.00 -1.10 0.00 0.00 60.65 59.90 3ktx s ILE 372 Cb -0.21 -3.53 -0.09 0.00 -1.06 0.00 0.00 42.46 37.57 3ktx s ILE 372 CO 0.22 0.41 1.13 -2.16 -0.10 0.00 0.00 174.94 174.45 3ktx s PRO 373 N 0.48 4.59 0.54 2.79 0.04 -1.26 -5.17 135.00 137.01 3ktx s PRO 373 Ca 0.11 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 3ktx s PRO 373 Cb -0.12 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 3ktx s PRO 373 CO 0.00 0.13 1.00 -1.64 0.04 0.00 0.00 177.00 176.54 3ktx s MET 374 N -1.26 3.83 0.78 4.56 -1.94 -1.15 -5.09 119.30 119.03 3ktx s MET 374 Ca 0.46 0.97 -0.11 0.00 -1.71 0.00 0.00 55.69 55.30 3ktx s MET 374 Cb -0.33 -2.12 0.06 0.00 2.01 0.00 0.00 34.83 34.46 3ktx s MET 374 CO 0.41 -0.37 1.09 -1.54 -0.01 0.00 0.00 175.02 174.60 3ktx s SER 375 N -3.14 4.59 0.25 3.03 1.04 -1.26 -4.84 113.70 113.37 3ktx s SER 375 Ca 0.59 1.46 -0.04 0.00 0.48 0.00 0.00 55.95 58.44 3ktx s SER 375 Cb -0.11 -2.22 0.46 0.00 0.10 0.00 0.00 66.02 64.25 3ktx s SER 375 CO 0.34 -1.93 1.72 0.00 0.98 0.00 0.00 173.24 174.36 3ktx h ALA 376 N -1.06 1.05 0.14 5.32 0.00 -1.98 -1.61 119.26 121.12 3ktx h ALA 376 Ca -0.46 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3ktx h ALA 376 Cb 1.25 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3ktx h ALA 376 CO 0.57 -0.23 -0.06 0.38 0.00 0.00 0.00 179.25 179.91 3ktx h ASP 377 N 0.42 -0.15 -0.45 0.00 -0.00 -1.93 0.34 116.42 114.65 3ktx h ASP 377 Ca 0.42 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.43 3ktx h ASP 377 Cb 0.64 0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 39.99 3ktx h ASP 377 CO -0.41 -0.09 0.27 -0.08 -0.00 0.00 0.00 179.24 178.92 3ktx h GLU 378 N -0.20 0.61 -0.46 4.15 4.57 -1.86 -1.07 114.58 120.32 3ktx h GLU 378 Ca -0.02 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3ktx h GLU 378 Cb 0.16 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3ktx h GLU 378 CO 0.03 0.46 0.27 0.00 -1.18 0.00 0.00 179.01 178.59 3ktx h ALA 379 N 1.12 0.58 -0.35 2.92 0.00 -1.07 -1.69 119.26 120.77 3ktx h ALA 379 Ca 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3ktx h ALA 379 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ktx h ALA 379 CO -0.03 0.08 0.05 0.28 0.00 0.00 0.00 179.25 179.63 3ktx h VAL 380 N 0.60 1.24 -0.07 0.00 2.07 -0.47 -1.76 116.25 117.88 3ktx h VAL 380 Ca 0.16 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3ktx h VAL 380 Cb 0.01 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3ktx h VAL 380 CO -0.03 0.29 -0.03 0.00 0.02 0.00 0.00 177.57 177.82 3ktx h SER 382 N -0.24 0.74 -0.62 0.00 4.64 -1.38 -1.29 113.55 115.40 3ktx h SER 382 Ca 0.01 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3ktx h SER 382 Cb 0.46 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 3ktx h SER 382 CO 0.01 0.52 0.40 0.28 -0.87 0.00 0.00 176.83 177.17 3ktx h SER 383 N 0.87 0.66 -0.50 4.97 0.02 -1.28 0.27 113.55 118.57 3ktx h SER 383 Ca 0.26 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3ktx h SER 383 Cb -0.05 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 3ktx h SER 383 CO -0.08 0.47 0.32 0.00 -1.14 0.00 0.00 176.83 176.40 3ktx h ALA 384 N 1.25 0.63 -0.49 3.77 0.00 -0.78 0.31 119.26 123.95 3ktx h ALA 384 Ca 0.24 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3ktx h ALA 384 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ktx h ALA 384 CO -0.08 0.05 -0.07 0.28 0.00 0.00 0.00 179.25 179.42 3ktx h VAL 385 N 0.64 1.27 -0.74 0.00 2.07 -0.86 -1.86 116.25 116.77 3ktx h VAL 385 Ca 0.19 -1.19 0.09 0.00 0.82 0.00 0.00 66.70 66.60 3ktx h VAL 385 Cb -0.04 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 3ktx h VAL 385 CO -0.06 0.41 0.40 -1.13 0.02 0.00 0.00 177.57 177.21 3ktx h ASN 386 N 0.78 0.55 0.05 0.57 -0.73 -0.03 -0.48 115.58 116.29 3ktx h ASN 386 Ca 0.13 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 3ktx h ASN 386 Cb 0.61 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.15 3ktx h ASN 386 CO 0.04 0.32 -0.10 0.28 -0.37 0.00 0.00 177.43 177.60 3ktx h SER 387 N 0.68 0.12 0.26 1.15 0.02 0.06 -0.50 113.55 115.34 3ktx h SER 387 Ca 0.35 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 3ktx h SER 387 Cb 0.33 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3ktx h SER 387 CO -0.24 0.25 -0.12 0.58 -1.14 0.00 0.00 176.83 176.15 3ktx h VAL 388 N 0.13 0.77 -0.82 2.27 2.07 -0.28 -0.89 116.25 119.50 3ktx h VAL 388 Ca 0.03 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3ktx h VAL 388 Cb 0.27 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3ktx h VAL 388 CO 0.02 0.04 0.53 1.88 0.02 0.00 0.00 177.57 180.05 3ktx h TYR 389 N -0.43 0.99 -0.31 1.57 0.05 -0.98 0.33 116.97 118.20 3ktx h TYR 389 Ca -0.04 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.62 3ktx h TYR 389 Cb 0.33 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 3ktx h TYR 389 CO -0.04 0.58 -0.39 0.93 -1.05 0.00 0.00 178.16 178.20 3ktx h GLU 390 N 1.04 0.81 -0.02 4.88 5.08 -1.03 -3.07 114.58 122.28 3ktx h GLU 390 Ca 0.32 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3ktx h GLU 390 Cb -0.02 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3ktx h GLU 390 CO -0.10 1.09 -0.19 0.25 -1.00 0.00 0.00 179.01 179.06 3ktx n THR 391 N -4.14 0.00 -3.82 1.13 -2.24 -0.35 -4.96 114.28 99.91 3ktx n THR 391 Ca -0.04 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.21 3ktx n THR 391 Cb 0.54 0.83 0.04 0.00 -2.10 0.00 0.00 70.33 69.63 3ktx n THR 391 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ktx n LYS 392 N 0.09 -5.67 -1.59 -0.78 5.02 0.11 -4.92 118.16 110.41 3ktx n LYS 392 Ca 0.14 0.63 -0.36 0.00 -2.02 0.00 0.00 58.31 56.70 3ktx n LYS 392 Cb 0.42 -5.46 0.08 0.00 -0.02 0.00 0.00 35.03 30.06 3ktx n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ktx s ALA 393 N -3.40 2.24 -1.69 7.82 0.00 -0.63 -4.79 121.76 121.32 3ktx s ALA 393 Ca 0.47 1.09 0.17 0.00 0.00 0.00 0.00 51.96 53.69 3ktx s ALA 393 Cb -0.23 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.40 3ktx s ALA 393 CO 0.81 -1.75 0.92 1.63 0.00 0.00 0.00 175.76 177.37 3ktx n LYS 394 N -2.27 1.58 -3.45 0.00 4.76 -0.33 -4.84 118.16 113.61 3ktx n LYS 394 Ca 0.15 -1.03 -0.12 0.00 -2.87 0.00 0.00 58.31 54.45 3ktx n LYS 394 Cb 0.49 -1.29 -0.02 0.00 -1.84 0.00 0.00 35.03 32.36 3ktx n LYS 394 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ktx s ALA 395 N -1.77 -1.55 0.14 7.82 0.00 -1.25 -4.34 121.76 120.81 3ktx s ALA 395 Ca 0.15 0.42 0.10 0.00 0.00 0.00 0.00 51.96 52.64 3ktx s ALA 395 Cb 0.13 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 24.09 3ktx s ALA 395 CO 0.35 -0.78 -0.21 -1.64 0.00 0.00 0.00 175.76 173.48 3ktx s MET 396 N -3.76 1.66 -0.09 0.00 -1.94 -0.26 -1.46 119.30 113.44 3ktx s MET 396 Ca 0.02 -1.29 0.00 0.00 -1.71 0.00 0.00 55.69 52.71 3ktx s MET 396 Cb -0.01 -2.01 0.02 0.00 2.01 0.00 0.00 34.83 34.84 3ktx s MET 396 CO -0.12 0.45 -0.08 0.08 -0.01 0.00 0.00 175.02 175.35 3ktx s VAL 397 N -1.26 0.96 -0.13 -6.03 1.01 -0.07 -0.74 120.40 114.15 3ktx s VAL 397 Ca 0.18 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3ktx s VAL 397 Cb -0.10 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.34 3ktx s VAL 397 CO 0.09 0.34 -0.14 -0.69 0.00 0.00 0.00 175.10 174.71 3ktx s VAL 398 N 1.37 1.49 -0.18 2.92 1.01 -0.13 -0.30 120.40 126.58 3ktx s VAL 398 Ca -0.02 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 3ktx s VAL 398 Cb -0.14 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3ktx s VAL 398 CO -0.04 0.44 0.57 -0.76 0.00 0.00 0.00 175.10 175.31 3ktx s LEU 399 N 1.33 4.17 -0.08 3.92 1.02 0.19 -0.68 118.68 128.54 3ktx s LEU 399 Ca 0.01 0.78 -0.04 0.00 0.02 0.00 0.00 54.13 54.90 3ktx s LEU 399 Cb -0.13 -2.80 0.04 0.00 0.02 0.00 0.00 46.19 43.32 3ktx s LEU 399 CO -0.07 -0.20 0.19 -0.55 0.02 0.00 0.00 176.35 175.74 3ktx s SER 400 N 1.11 -0.07 -0.12 2.29 0.15 -0.84 -4.62 113.70 111.61 3ktx s SER 400 Ca 0.27 0.40 -0.25 0.00 0.70 0.00 0.00 55.95 57.07 3ktx s SER 400 Cb -0.16 0.30 -0.27 0.00 -1.71 0.00 0.00 66.02 64.19 3ktx s SER 400 CO 0.10 -0.17 0.72 0.78 1.20 0.00 0.00 173.24 175.88 3ktx h ASN 401 N 7.38 0.16 0.68 5.45 2.35 -1.93 -3.36 115.58 126.32 3ktx h ASN 401 Ca -0.38 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.45 3ktx h ASN 401 Cb 1.14 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.46 3ktx h ASN 401 CO 0.37 1.22 -0.64 0.35 -1.65 0.00 0.00 177.43 177.08 3ktx n THR 402 N -4.39 0.21 -0.05 2.81 -2.24 -1.26 -4.42 114.28 104.93 3ktx n THR 402 Ca -0.15 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3ktx n THR 402 Cb 0.64 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3ktx n THR 402 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktx n GLY 403 N 1.40 0.58 0.16 3.38 0.00 -1.26 -4.86 105.19 104.59 3ktx n GLY 403 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3ktx n GLY 403 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3ktx h ARG 404 N 3.87 -0.21 -0.17 1.61 2.43 -1.93 -2.13 114.38 117.86 3ktx h ARG 404 Ca 0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3ktx h ARG 404 Cb 0.00 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3ktx h ARG 404 CO 0.00 -0.14 -0.07 0.66 -1.51 0.00 0.00 179.97 178.91 3ktx h SER 405 N -0.22 0.23 -0.38 -3.80 4.64 -1.92 -1.01 113.55 111.10 3ktx h SER 405 Ca 0.03 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3ktx h SER 405 Cb 0.24 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3ktx h SER 405 CO -0.08 0.34 -0.31 0.00 -0.87 0.00 0.00 176.83 175.91 3ktx h ALA 406 N 1.69 0.55 -0.11 5.18 0.00 -1.82 -0.59 119.26 124.15 3ktx h ALA 406 Ca 0.05 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 3ktx h ALA 406 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ktx h ALA 406 CO 0.01 0.60 -0.38 0.00 0.00 0.00 0.00 179.25 179.49 3ktx h ARG 407 N 0.69 0.24 -0.23 0.00 3.08 -1.16 0.27 114.38 117.27 3ktx h ARG 407 Ca 0.07 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 3ktx h ARG 407 Cb 0.90 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3ktx h ARG 407 CO 0.08 0.59 -0.45 1.25 -1.07 0.00 0.00 179.97 180.36 3ktx h LEU 408 N 0.21 0.63 -0.19 3.04 5.85 -0.80 -0.64 115.31 123.41 3ktx h LEU 408 Ca 0.02 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 3ktx h LEU 408 Cb 0.76 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 3ktx h LEU 408 CO 0.06 0.99 -0.22 0.58 -0.34 0.00 0.00 178.44 179.51 3ktx h VAL 409 N 0.47 1.34 -0.57 1.05 2.07 -0.95 -3.17 116.25 116.48 3ktx h VAL 409 Ca 0.03 -1.40 0.04 0.00 0.82 0.00 0.00 66.70 66.19 3ktx h VAL 409 Cb 0.98 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 3ktx h VAL 409 CO 0.09 0.42 0.38 0.00 0.02 0.00 0.00 177.57 178.48 3ktx h ALA 410 N 0.62 1.76 -0.93 1.67 0.00 -0.85 -1.69 119.26 119.84 3ktx h ALA 410 Ca 0.03 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.12 3ktx h ALA 410 Cb 0.77 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 3ktx h ALA 410 CO 0.05 0.16 0.61 -0.22 0.00 0.00 0.00 179.25 179.85 3ktx h LYS 411 N 0.61 0.46 -0.01 0.00 3.64 -1.08 -1.37 116.57 118.82 3ktx h LYS 411 Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3ktx h LYS 411 Cb 0.17 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3ktx h LYS 411 CO -0.07 0.30 -0.05 0.66 -2.27 0.00 0.00 179.45 178.03 3ktx n TYR 412 N -4.56 0.00 -3.33 1.91 4.01 -0.64 -4.86 117.16 109.69 3ktx n TYR 412 Ca 0.20 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.77 3ktx n TYR 412 Cb 0.69 -0.06 0.07 0.00 -0.31 0.00 0.00 39.34 39.72 3ktx n TYR 412 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3ktx n ARG 413 N -0.55 -2.25 -0.85 -0.72 5.12 -0.52 -3.98 116.66 112.91 3ktx n ARG 413 Ca 0.18 0.80 -0.30 0.00 -1.93 0.00 0.00 57.85 56.60 3ktx n ARG 413 Cb 0.26 -5.55 0.17 0.00 -1.16 0.00 0.00 32.46 26.19 3ktx n ARG 413 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3ktx s PRO 414 N -4.70 0.74 -0.59 5.56 0.04 -1.26 -4.56 135.00 130.22 3ktx s PRO 414 Ca 0.44 1.15 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 3ktx s PRO 414 Cb -0.08 -1.72 0.51 0.00 0.04 0.00 0.00 34.50 33.25 3ktx s PRO 414 CO 0.76 -2.69 2.00 0.27 0.04 0.00 0.00 177.00 177.37 3ktx n ASN 415 N -4.24 6.47 -3.99 6.66 6.94 -1.26 -4.91 115.26 120.94 3ktx n ASN 415 Ca 0.08 -3.70 -0.09 0.00 -0.02 0.00 0.00 54.58 50.84 3ktx n ASN 415 Cb 0.53 -0.94 -0.08 0.00 -2.36 0.00 0.00 39.78 36.94 3ktx n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ktx s PRO 417 N -3.97 2.48 -0.14 0.00 0.02 -1.26 -4.82 135.00 127.31 3ktx s PRO 417 Ca 0.17 1.53 -0.01 0.00 0.02 0.00 0.00 61.00 62.72 3ktx s PRO 417 Cb 0.04 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.65 3ktx s PRO 417 CO -0.01 -1.53 -0.12 0.42 -0.33 0.00 0.00 177.00 175.43 3ktx s ILE 418 N -2.23 3.12 -0.29 2.83 1.01 -0.52 -1.10 121.20 124.02 3ktx s ILE 418 Ca 0.70 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 3ktx s ILE 418 Cb -0.24 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 39.93 3ktx s ILE 418 CO 0.44 0.52 0.06 -0.69 0.00 0.00 0.00 174.94 175.26 3ktx s VAL 419 N 0.42 3.75 -0.16 2.92 1.01 0.08 -0.98 120.40 127.44 3ktx s VAL 419 Ca -0.09 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 3ktx s VAL 419 Cb -0.16 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 3ktx s VAL 419 CO 0.05 0.05 0.47 0.00 0.00 0.00 0.00 175.10 175.67 3ktx s VAL 421 N 1.01 4.55 0.18 0.00 1.01 0.14 -0.57 120.40 126.73 3ktx s VAL 421 Ca 0.24 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.82 3ktx s VAL 421 Cb -0.15 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3ktx s VAL 421 CO 0.09 0.04 -0.15 0.28 0.00 0.00 0.00 175.10 175.37 3ktx s THR 422 N 1.60 1.65 -1.40 3.92 -1.32 -0.29 -1.98 115.64 117.82 3ktx s THR 422 Ca 0.04 -2.04 0.18 0.00 -1.21 0.00 0.00 61.69 58.66 3ktx s THR 422 Cb -0.17 -1.89 0.66 0.00 -1.51 0.00 0.00 72.50 69.58 3ktx s THR 422 CO 0.06 -0.50 1.56 0.35 -2.21 0.00 0.00 174.62 173.87 3ktx n THR 423 N -0.04 1.49 -4.22 5.08 -2.24 -1.26 -0.61 114.28 112.48 3ktx n THR 423 Ca -0.11 -1.05 -0.27 0.00 -2.27 0.00 0.00 64.05 60.36 3ktx n THR 423 Cb 0.59 0.19 -0.17 0.00 -2.10 0.00 0.00 70.33 68.85 3ktx n THR 423 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ktx s ARG 424 N -1.63 1.74 0.39 -0.78 0.52 -1.26 -4.74 118.95 113.19 3ktx s ARG 424 Ca 0.47 -0.37 0.08 0.00 -0.52 0.00 0.00 55.73 55.39 3ktx s ARG 424 Cb 0.29 -1.61 0.83 0.00 0.52 0.00 0.00 34.95 34.99 3ktx s ARG 424 CO 0.25 -0.14 2.00 -0.07 0.02 0.00 0.00 175.30 177.37 3ktx h LEU 425 N 7.65 0.54 -1.06 2.53 3.38 -1.95 -1.71 115.31 124.69 3ktx h LEU 425 Ca -0.31 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 3ktx h LEU 425 Cb 1.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3ktx h LEU 425 CO 0.45 0.36 -0.34 -0.61 0.09 0.00 0.00 178.44 178.40 3ktx h GLN 426 N 0.63 0.00 -0.41 1.13 4.15 -1.96 -1.75 115.11 116.90 3ktx h GLN 426 Ca 0.25 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.62 3ktx h GLN 426 Cb 0.19 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 3ktx h GLN 426 CO -0.07 0.34 0.05 1.15 -1.93 0.00 0.00 178.83 178.37 3ktx h THR 427 N 0.00 1.25 -0.69 2.39 2.02 -1.62 0.16 112.91 116.41 3ktx h THR 427 Ca -0.00 -0.90 0.12 0.00 0.77 0.00 0.00 66.41 66.40 3ktx h THR 427 Cb 0.82 1.04 -0.09 0.00 -1.74 0.00 0.00 68.15 68.18 3ktx h THR 427 CO 0.04 0.31 0.26 0.00 0.37 0.00 0.00 175.52 176.50 3ktx h ARG 429 N 0.42 0.62 0.00 0.00 3.08 -0.90 -3.28 114.38 114.32 3ktx h ARG 429 Ca 0.37 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 3ktx h ARG 429 Cb 0.52 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3ktx h ARG 429 CO -0.37 1.08 -0.30 1.96 -1.07 0.00 0.00 179.97 181.27 3ktx h GLN 430 N 0.29 0.00 0.00 0.04 4.20 -0.41 -2.58 115.11 116.65 3ktx h GLN 430 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3ktx h GLN 430 Cb 1.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 3ktx h GLN 430 CO 0.11 0.30 0.00 1.28 -0.67 0.00 0.00 178.83 179.84 3ktx n LEU 431 N -4.12 0.16 0.09 1.46 4.77 -0.49 -2.84 117.00 116.04 3ktx n LEU 431 Ca -0.02 0.53 0.06 0.00 -0.03 0.00 0.00 56.01 56.55 3ktx n LEU 431 Cb 0.35 -0.51 0.31 0.00 -2.33 0.00 0.00 43.42 41.24 3ktx n LEU 431 CO 0.37 -0.26 0.68 0.59 -1.33 0.00 0.00 177.39 177.44 3ktx n ASN 432 N -1.67 0.29 -1.24 -1.43 4.13 -0.97 -0.67 115.26 113.69 3ktx n ASN 432 Ca 0.04 0.62 0.11 0.00 1.68 0.00 0.00 54.58 57.03 3ktx n ASN 432 Cb 0.22 -0.64 0.28 0.00 -1.54 0.00 0.00 39.78 38.10 3ktx n ASN 432 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3ktx n ILE 433 N -1.89 0.86 -3.82 2.41 -5.35 -1.13 -4.78 119.36 105.66 3ktx n ILE 433 Ca -0.01 -0.93 -0.36 0.00 -0.27 0.00 0.00 62.75 61.19 3ktx n ILE 433 Cb 0.05 0.64 -0.10 0.00 -1.74 0.00 0.00 39.64 38.49 3ktx n ILE 433 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3ktx s THR 434 N -1.13 4.89 0.58 7.28 2.01 0.15 -4.61 115.64 124.81 3ktx s THR 434 Ca 0.44 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.26 3ktx s THR 434 Cb 0.24 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 3ktx s THR 434 CO 0.31 0.38 1.19 0.00 -0.69 0.00 0.00 174.62 175.82 3ktx s GLN 435 N 0.97 3.07 0.00 4.92 1.03 -1.26 -3.73 119.66 124.66 3ktx s GLN 435 Ca 0.05 1.79 0.00 0.00 0.04 0.00 0.00 55.36 57.25 3ktx s GLN 435 Cb -0.14 -1.96 0.00 0.00 0.03 0.00 0.00 33.01 30.94 3ktx s GLN 435 CO 0.03 -1.12 0.00 0.41 -2.54 0.00 0.00 175.29 172.07 3ktx n GLY 436 N 0.45 0.47 3.31 2.60 0.00 0.40 -4.89 105.19 107.54 3ktx n GLY 436 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3ktx n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ktx s VAL 437 N -1.99 2.02 0.01 1.61 1.01 -1.24 -1.44 120.40 120.38 3ktx s VAL 437 Ca 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 61.98 60.78 3ktx s VAL 437 Cb 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 3ktx s VAL 437 CO 0.00 0.41 -0.15 -1.61 0.00 0.00 0.00 175.10 173.76 3ktx s GLU 438 N -1.00 1.11 0.08 2.72 2.02 -0.15 -4.93 118.70 118.54 3ktx s GLU 438 Ca 0.10 -0.62 0.05 0.00 0.02 0.00 0.00 54.97 54.53 3ktx s GLU 438 Cb -0.10 -1.09 -0.04 0.00 0.10 0.00 0.00 34.13 33.00 3ktx s GLU 438 CO 0.01 0.29 -0.06 -1.12 0.02 0.00 0.00 175.26 174.40 3ktx s SER 439 N -0.64 4.67 -0.13 -0.19 0.01 -1.26 -0.02 113.70 116.14 3ktx s SER 439 Ca 0.04 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.05 3ktx s SER 439 Cb -0.06 -1.02 0.02 0.00 0.21 0.00 0.00 66.02 65.17 3ktx s SER 439 CO 0.00 0.20 -0.11 -0.69 0.41 0.00 0.00 173.24 173.05 3ktx s VAL 440 N -1.20 1.35 0.06 3.43 1.01 0.27 -4.95 120.40 120.38 3ktx s VAL 440 Ca 0.22 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3ktx s VAL 440 Cb -0.11 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 3ktx s VAL 440 CO 0.14 0.42 1.09 0.12 0.00 0.00 0.00 175.10 176.86 3ktx s PHE 441 N 1.58 3.57 -0.23 5.22 5.36 -1.26 -1.14 117.98 131.08 3ktx s PHE 441 Ca 0.05 1.53 0.02 0.00 -0.96 0.00 0.00 56.93 57.57 3ktx s PHE 441 Cb -0.13 -3.26 0.05 0.00 -0.34 0.00 0.00 43.02 39.34 3ktx s PHE 441 CO -0.10 -0.62 -0.12 0.12 -1.46 0.00 0.00 175.22 173.05 3ktx s PHE 442 N 0.73 2.93 -0.70 10.12 5.36 0.22 -4.91 117.98 131.72 3ktx s PHE 442 Ca 0.54 -2.00 -0.24 0.00 -0.96 0.00 0.00 56.93 54.27 3ktx s PHE 442 Cb -0.26 -1.84 0.06 0.00 -0.34 0.00 0.00 43.02 40.64 3ktx s PHE 442 CO 0.30 -0.83 1.07 0.34 -1.46 0.00 0.00 175.22 174.64 3ktx s ASP 443 N 1.22 6.19 0.31 6.13 -1.08 -1.26 -4.14 116.67 124.04 3ktx s ASP 443 Ca -0.04 -0.87 0.03 0.00 -0.52 0.00 0.00 52.55 51.15 3ktx s ASP 443 Cb -0.18 -2.46 0.50 0.00 -1.46 0.00 0.00 42.92 39.32 3ktx s ASP 443 CO -0.07 -1.55 1.80 0.00 0.52 0.00 0.00 175.17 175.86 3ktx h ALA 444 N 9.69 1.23 0.00 3.66 0.00 -1.85 0.38 119.26 132.36 3ktx h ALA 444 Ca -0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3ktx h ALA 444 Cb 1.06 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ktx h ALA 444 CO 1.21 0.50 -0.16 -0.44 0.00 0.00 0.00 179.25 180.37 3ktx h ASP 445 N 0.46 0.00 0.06 0.00 3.32 -1.89 0.34 116.42 118.71 3ktx h ASP 445 Ca 0.08 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.80 3ktx h ASP 445 Cb 0.50 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 3ktx h ASP 445 CO 0.03 0.16 -1.84 1.17 -1.72 0.00 0.00 179.24 177.04 3ktx n LYS 446 N -3.46 0.67 -0.00 3.56 4.81 -1.04 -4.70 118.16 118.00 3ktx n LYS 446 Ca -0.01 0.36 0.08 0.00 -0.87 0.00 0.00 58.31 57.87 3ktx n LYS 446 Cb 0.33 -1.69 -0.12 0.00 0.02 0.00 0.00 35.03 33.58 3ktx n LYS 446 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3ktx n LEU 447 N -3.85 0.34 0.00 3.14 4.77 0.10 -5.11 117.00 116.39 3ktx n LEU 447 Ca -0.35 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 3ktx n LEU 447 Cb 0.91 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 3ktx n LEU 447 CO 0.30 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3ktx n GLY 448 N 1.47 3.11 0.13 -0.72 0.00 0.12 -4.79 105.19 104.52 3ktx n GLY 448 Ca -0.00 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.25 3ktx n GLY 448 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ktx n HIS 449 N -0.45 0.77 -3.89 1.61 8.25 -1.26 -4.46 115.22 115.79 3ktx n HIS 449 Ca 0.00 0.32 -0.26 0.00 -0.26 0.00 0.00 57.72 57.52 3ktx n HIS 449 Cb 0.00 -1.02 0.01 0.00 1.12 0.00 0.00 29.99 30.09 3ktx n HIS 449 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3ktx n ASP 450 N -2.22 -1.79 0.05 0.41 2.03 -1.26 -4.81 116.55 108.96 3ktx n ASP 450 Ca 0.01 -0.90 0.18 0.00 0.52 0.00 0.00 54.79 54.60 3ktx n ASP 450 Cb 0.18 -3.53 0.69 0.00 -0.72 0.00 0.00 41.12 37.74 3ktx n ASP 450 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3ktx h GLU 451 N -1.86 0.00 -0.00 -0.67 9.09 -2.01 0.47 114.58 119.59 3ktx h GLU 451 Ca -0.61 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.80 3ktx h GLU 451 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.47 3ktx h GLU 451 CO 0.63 0.00 -0.01 0.41 0.05 0.00 0.00 179.01 180.09 3ktx n GLY 452 N -1.61 -0.71 4.08 1.06 0.00 -1.26 -4.91 105.19 101.84 3ktx n GLY 452 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3ktx n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ktx n LYS 453 N -0.67 0.00 -0.16 1.61 4.01 0.16 -4.85 118.16 118.27 3ktx n LYS 453 Ca 0.22 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.98 3ktx n LYS 453 Cb 0.20 -3.61 0.16 0.00 -0.51 0.00 0.00 35.03 31.26 3ktx n LYS 453 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 3ktx h GLU 454 N 0.70 0.90 -0.37 1.97 3.07 -1.91 -1.37 114.58 117.57 3ktx h GLU 454 Ca 0.00 -0.19 -0.15 0.00 -0.50 0.00 0.00 59.36 58.51 3ktx h GLU 454 Cb 0.00 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 3ktx h GLU 454 CO 0.00 0.81 -0.37 0.45 -1.40 0.00 0.00 179.01 178.50 3ktx h HIS 455 N 0.86 1.05 -0.50 4.33 3.86 -1.88 -1.43 115.15 121.45 3ktx h HIS 455 Ca 0.19 -0.31 -0.12 0.00 -1.16 0.00 0.00 60.37 58.97 3ktx h HIS 455 Cb 0.32 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3ktx h HIS 455 CO 0.02 1.11 -0.16 0.00 0.86 0.00 0.00 177.93 179.76 3ktx h ARG 456 N 0.72 0.99 -0.21 2.45 3.08 -1.86 0.12 114.38 119.67 3ktx h ARG 456 Ca 0.06 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 3ktx h ARG 456 Cb 0.95 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3ktx h ARG 456 CO 0.09 1.07 0.10 0.28 -1.07 0.00 0.00 179.97 180.44 3ktx h VAL 457 N 0.84 1.14 -0.84 2.04 2.07 -1.27 -0.47 116.25 119.77 3ktx h VAL 457 Ca 0.12 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3ktx h VAL 457 Cb 0.73 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3ktx h VAL 457 CO 0.06 0.14 0.54 0.00 0.02 0.00 0.00 177.57 178.33 3ktx h ALA 458 N 0.96 1.09 -0.87 1.67 0.00 -1.04 0.09 119.26 121.15 3ktx h ALA 458 Ca 0.07 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3ktx h ALA 458 Cb 0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3ktx h ALA 458 CO -0.01 0.40 0.57 0.00 0.00 0.00 0.00 179.25 180.21 3ktx h ALA 459 N 1.34 1.47 0.15 0.00 0.00 -0.34 0.25 119.26 122.13 3ktx h ALA 459 Ca 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3ktx h ALA 459 Cb -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3ktx h ALA 459 CO -0.10 0.43 -0.07 0.78 0.00 0.00 0.00 179.25 180.29 3ktx h GLY 460 N 1.07 -0.21 0.73 0.00 0.00 0.35 -2.04 103.07 102.97 3ktx h GLY 460 Ca 0.35 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.82 3ktx h GLY 460 CO -0.11 -0.08 0.53 -2.08 0.00 0.00 0.00 176.54 174.81 3ktx h VAL 461 N -0.59 1.05 -0.06 4.60 2.07 -0.92 -1.27 116.25 121.13 3ktx h VAL 461 Ca -0.02 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.17 3ktx h VAL 461 Cb 0.45 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3ktx h VAL 461 CO 0.03 0.18 0.02 -0.08 0.02 0.00 0.00 177.57 177.74 3ktx h GLU 462 N 0.98 0.05 -0.60 1.57 4.57 -0.43 -0.34 114.58 120.38 3ktx h GLU 462 Ca 0.37 -0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.66 3ktx h GLU 462 Cb 0.16 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.65 3ktx h GLU 462 CO -0.17 0.04 0.14 0.35 -1.18 0.00 0.00 179.01 178.19 3ktx h PHE 463 N 0.05 0.23 -1.00 0.92 3.57 -1.05 0.97 116.94 120.64 3ktx h PHE 463 Ca 0.03 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 3ktx h PHE 463 Cb 0.01 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 3ktx h PHE 463 CO -0.09 -0.01 0.66 0.00 -2.23 0.00 0.00 178.31 176.64 3ktx h ALA 464 N 1.47 1.27 -0.36 2.41 0.00 -0.84 -2.09 119.26 121.12 3ktx h ALA 464 Ca 0.31 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3ktx h ALA 464 Cb 0.45 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ktx h ALA 464 CO -0.39 0.63 -0.12 0.87 0.00 0.00 0.00 179.25 180.25 3ktx h LYS 465 N 1.33 0.71 -0.09 0.00 1.57 -0.26 -0.37 116.57 119.46 3ktx h LYS 465 Ca 0.37 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3ktx h LYS 465 Cb -0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3ktx h LYS 465 CO -0.09 0.88 0.09 0.66 -0.57 0.00 0.00 179.45 180.42 3ktx h SER 466 N 0.50 0.00 0.20 0.86 4.64 -0.44 -0.93 113.55 118.38 3ktx h SER 466 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3ktx h SER 466 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3ktx h SER 466 CO 0.04 0.00 -0.15 0.29 -0.87 0.00 0.00 176.83 176.15 3ktx n LYS 467 N -4.05 0.99 -0.80 4.77 4.76 -0.82 -4.93 118.16 118.08 3ktx n LYS 467 Ca -0.01 -0.51 0.00 0.00 -2.87 0.00 0.00 58.31 54.92 3ktx n LYS 467 Cb 0.19 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3ktx n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ktx n GLY 468 N 1.27 0.61 0.18 0.72 0.00 -0.36 -4.93 105.19 102.69 3ktx n GLY 468 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 3ktx n GLY 468 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ktx h TYR 469 N 0.00 0.84 -3.84 1.61 0.05 -1.28 -3.45 116.97 110.90 3ktx h TYR 469 Ca 0.00 -0.44 -0.36 0.00 0.05 0.00 0.00 58.73 57.98 3ktx h TYR 469 Cb 0.00 -0.10 -0.20 0.00 1.01 0.00 0.00 36.73 37.44 3ktx h TYR 469 CO 0.00 1.27 -0.75 0.14 -1.05 0.00 0.00 178.16 177.77 3ktx s VAL 470 N -3.36 0.97 0.32 -2.88 -7.23 -1.21 -4.72 120.40 102.29 3ktx s VAL 470 Ca -0.08 -1.43 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 3ktx s VAL 470 Cb 0.08 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 3ktx s VAL 470 CO 0.89 -0.39 0.18 0.00 -0.31 0.00 0.00 175.10 175.47 3ktx s GLN 471 N -2.18 1.68 0.07 4.82 -2.07 -1.26 -4.35 119.66 116.36 3ktx s GLN 471 Ca 0.00 -1.97 -0.37 0.00 -1.82 0.00 0.00 55.36 51.20 3ktx s GLN 471 Cb -0.07 -0.07 -0.18 0.00 -1.09 0.00 0.00 33.01 31.59 3ktx s GLN 471 CO 0.01 -0.50 1.10 2.41 -1.32 0.00 0.00 175.29 176.99 3ktx n THR 472 N -0.64 0.31 0.00 3.63 -1.04 -1.26 -1.44 114.28 113.84 3ktx n THR 472 Ca 0.01 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3ktx n THR 472 Cb 0.64 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 3ktx n THR 472 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ktx n GLY 473 N 1.89 1.92 3.89 3.41 0.00 -0.02 -4.99 105.19 111.28 3ktx n GLY 473 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3ktx n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ktx s ASP 474 N -2.91 6.17 0.12 1.61 1.01 -0.52 -4.80 116.67 117.34 3ktx s ASP 474 Ca 0.00 1.18 -0.07 0.00 0.71 0.00 0.00 52.55 54.36 3ktx s ASP 474 Cb 0.00 -2.31 -0.06 0.00 1.01 0.00 0.00 42.92 41.56 3ktx s ASP 474 CO 0.00 -0.79 0.40 -0.31 0.21 0.00 0.00 175.17 174.68 3ktx s TYR 475 N -3.01 3.52 -0.02 4.23 2.02 -1.26 -0.41 117.35 122.41 3ktx s TYR 475 Ca 0.52 0.69 0.01 0.00 -0.37 0.00 0.00 57.07 57.92 3ktx s TYR 475 Cb -0.11 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.37 3ktx s TYR 475 CO 0.50 0.46 -0.04 0.00 -1.57 0.00 0.00 175.55 174.90 3ktx s VAL 477 N 0.47 5.27 -0.10 0.00 1.01 -0.54 -0.75 120.40 125.77 3ktx s VAL 477 Ca -0.05 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3ktx s VAL 477 Cb -0.09 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3ktx s VAL 477 CO -0.00 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.69 3ktx s VAL 478 N 0.65 3.16 0.01 2.92 1.01 0.06 -0.89 120.40 127.32 3ktx s VAL 478 Ca 0.07 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3ktx s VAL 478 Cb -0.12 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3ktx s VAL 478 CO 0.01 0.55 -0.11 -0.51 0.00 0.00 0.00 175.10 175.05 3ktx s ILE 479 N -0.14 0.82 0.39 2.22 -1.16 0.59 -1.34 121.20 122.57 3ktx s ILE 479 Ca -0.01 -0.65 -0.16 0.00 -0.51 0.00 0.00 60.65 59.33 3ktx s ILE 479 Cb -0.13 -0.73 0.06 0.00 0.61 0.00 0.00 42.46 42.26 3ktx s ILE 479 CO 0.03 0.08 0.80 -1.38 -2.81 0.00 0.00 174.94 171.66 3ktx s HIS 480 N -0.54 0.13 0.00 3.50 -3.43 -0.58 -0.64 115.29 113.74 3ktx s HIS 480 Ca 0.01 -0.82 0.00 0.00 -0.80 0.00 0.00 55.06 53.46 3ktx s HIS 480 Cb -0.06 0.85 0.00 0.00 -1.43 0.00 0.00 32.58 31.94 3ktx s HIS 480 CO 0.00 -1.58 0.00 0.00 -2.00 0.00 0.00 174.74 171.16 3ktx n ALA 481 N -0.54 0.00 0.00 -1.38 0.00 -1.26 -2.04 120.51 115.29 3ktx n ALA 481 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ktx n ALA 481 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3ktx n ALA 481 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3ktx n TYR 488 N 0.00 0.00 -2.78 0.00 4.11 -1.26 -4.86 117.16 112.37 3ktx n TYR 488 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3ktx n TYR 488 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.35 3ktx n TYR 488 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3ktx s ALA 489 N 0.00 -4.20 -0.13 -3.48 0.00 -1.26 -4.74 121.76 107.95 3ktx s ALA 489 Ca 0.00 0.96 0.13 0.00 0.00 0.00 0.00 51.96 53.05 3ktx s ALA 489 Cb 0.00 -2.97 0.24 0.00 0.00 0.00 0.00 23.12 20.38 3ktx s ALA 489 CO 0.00 -2.47 1.14 0.27 0.00 0.00 0.00 175.76 174.70 3ktx n ASN 490 N 3.45 2.43 -3.79 0.00 2.04 -0.89 -4.56 115.26 113.94 3ktx n ASN 490 Ca 0.08 -2.74 -0.14 0.00 -0.44 0.00 0.00 54.58 51.34 3ktx n ASN 490 Cb 0.63 -0.32 -0.15 0.00 -2.53 0.00 0.00 39.78 37.41 3ktx n ASN 490 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 3ktx s GLN 491 N -2.28 0.00 0.04 -3.83 0.74 -0.86 -5.00 119.66 108.46 3ktx s GLN 491 Ca 0.24 0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.85 3ktx s GLN 491 Cb 0.20 -0.16 -0.02 0.00 1.10 0.00 0.00 33.01 34.13 3ktx s GLN 491 CO 0.03 -0.12 -0.08 0.99 -0.55 0.00 0.00 175.29 175.56 3ktx s THR 492 N 0.78 0.57 0.00 -0.34 2.01 -1.26 -1.52 115.64 115.88 3ktx s THR 492 Ca -0.06 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 60.91 3ktx s THR 492 Cb -0.09 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 3ktx s THR 492 CO -0.03 -0.31 0.06 -0.13 -0.69 0.00 0.00 174.62 173.53 3ktx s ARG 493 N -1.41 0.35 -0.32 4.92 0.52 -0.45 -4.99 118.95 117.56 3ktx s ARG 493 Ca -0.08 -0.40 -0.06 0.00 -0.52 0.00 0.00 55.73 54.67 3ktx s ARG 493 Cb -0.09 0.14 0.03 0.00 0.52 0.00 0.00 34.95 35.55 3ktx s ARG 493 CO 0.00 -0.07 0.08 0.42 0.02 0.00 0.00 175.30 175.76 3ktx s ILE 494 N -1.17 3.73 -0.17 1.52 1.01 -1.26 -0.76 121.20 124.09 3ktx s ILE 494 Ca -0.13 -1.03 -0.08 0.00 0.00 0.00 0.00 60.65 59.41 3ktx s ILE 494 Cb -0.07 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3ktx s ILE 494 CO 0.00 -0.09 0.10 -0.22 0.00 0.00 0.00 174.94 174.73 3ktx s LEU 495 N 1.41 4.06 -0.21 2.97 0.20 0.07 -4.94 118.68 122.25 3ktx s LEU 495 Ca -0.01 0.21 -0.28 0.00 0.69 0.00 0.00 54.13 54.74 3ktx s LEU 495 Cb -0.19 -2.03 0.00 0.00 -0.43 0.00 0.00 46.19 43.55 3ktx s LEU 495 CO 0.02 0.23 0.99 -0.22 -0.29 0.00 0.00 176.35 177.08 3ktx s LEU 496 N 0.07 4.13 0.14 -0.68 2.96 -1.26 -0.75 118.68 123.28 3ktx s LEU 496 Ca 0.08 1.34 -0.30 0.00 -0.22 0.00 0.00 54.13 55.02 3ktx s LEU 496 Cb -0.12 -3.47 -0.07 0.00 0.50 0.00 0.00 46.19 43.03 3ktx s LEU 496 CO -0.00 -0.59 1.22 -0.69 -1.32 0.00 0.00 176.35 174.97 3ktx s VAL 497 N 2.89 3.68 -2.43 1.68 1.01 0.45 -4.92 120.40 122.76 3ktx s VAL 497 Ca 0.43 1.32 0.29 0.00 0.00 0.00 0.00 61.98 64.01 3ktx s VAL 497 Cb -0.16 -3.84 0.60 0.00 0.00 0.00 0.00 36.38 32.98 3ktx s VAL 497 CO 0.08 0.16 1.81 -0.62 0.00 0.00 0.00 175.10 176.54