#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek6 n SER 2 N 0.00 0.97 -4.76 7.83 2.88 -1.26 -5.05 113.62 114.24 3ek6 n SER 2 Ca 0.00 0.12 -0.40 0.00 -1.33 0.00 0.00 58.87 57.26 3ek6 n SER 2 Cb 0.00 -0.31 -0.05 0.00 -0.75 0.00 0.00 64.21 63.10 3ek6 n SER 2 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3ek6 s GLU 3 N -2.20 4.72 0.03 -1.46 2.02 -1.26 -5.00 118.70 115.56 3ek6 s GLU 3 Ca -0.15 1.61 -0.20 0.00 0.02 0.00 0.00 54.97 56.25 3ek6 s GLU 3 Cb 0.06 -3.18 -0.06 0.00 0.10 0.00 0.00 34.13 31.05 3ek6 s GLU 3 CO 0.20 0.35 0.57 -0.51 0.02 0.00 0.00 175.26 175.89 3ek6 s LEU 4 N -1.41 4.47 0.45 1.80 1.43 -1.26 -4.76 118.68 119.41 3ek6 s LEU 4 Ca 0.44 1.20 0.25 0.00 -1.03 0.00 0.00 54.13 54.99 3ek6 s LEU 4 Cb -0.28 -2.89 0.72 0.00 0.03 0.00 0.00 46.19 43.77 3ek6 s LEU 4 CO 0.35 0.20 1.74 0.28 0.23 0.00 0.00 176.35 179.15 3ek6 h SER 5 N 5.05 0.00 -3.36 2.29 0.02 -0.79 -3.44 113.55 113.31 3ek6 h SER 5 Ca -0.48 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.12 3ek6 h SER 5 Cb 1.21 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.37 3ek6 h SER 5 CO 0.66 0.12 -0.74 -0.31 -1.14 0.00 0.00 176.83 175.42 3ek6 s TYR 6 N -3.40 0.11 -0.20 3.45 2.02 -1.21 -4.98 117.35 113.13 3ek6 s TYR 6 Ca 0.04 0.19 -0.17 0.00 -0.37 0.00 0.00 57.07 56.75 3ek6 s TYR 6 Cb 0.08 -0.44 -0.20 0.00 -0.40 0.00 0.00 41.96 41.00 3ek6 s TYR 6 CO 0.64 -0.17 0.16 -2.13 -1.57 0.00 0.00 175.55 172.47 3ek6 n ARG 7 N 4.97 0.61 -4.03 -0.62 0.63 -1.26 -4.85 116.66 112.10 3ek6 n ARG 7 Ca -0.10 0.46 -0.34 0.00 -0.92 0.00 0.00 57.85 56.95 3ek6 n ARG 7 Cb 0.50 -1.70 -0.15 0.00 0.45 0.00 0.00 32.46 31.56 3ek6 n ARG 7 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3ek6 s ARG 8 N -2.42 3.03 0.13 -0.14 3.52 -1.26 -1.09 118.95 120.73 3ek6 s ARG 8 Ca -0.29 -0.82 0.10 0.00 -0.13 0.00 0.00 55.73 54.58 3ek6 s ARG 8 Cb 0.07 -2.78 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 3ek6 s ARG 8 CO 0.61 -0.26 -0.23 0.96 -0.81 0.00 0.00 175.30 175.58 3ek6 s ILE 9 N 1.34 2.00 -0.22 4.11 -4.36 -0.32 0.75 121.20 124.49 3ek6 s ILE 9 Ca 0.04 -1.74 0.01 0.00 -0.26 0.00 0.00 60.65 58.69 3ek6 s ILE 9 Cb -0.14 -1.83 0.03 0.00 1.25 0.00 0.00 42.46 41.77 3ek6 s ILE 9 CO -0.08 -0.06 -0.13 -0.22 0.24 0.00 0.00 174.94 174.68 3ek6 s LEU 10 N -2.19 2.84 -0.23 0.37 0.20 -0.76 -1.39 118.68 117.51 3ek6 s LEU 10 Ca 0.12 -0.95 -0.10 0.00 0.69 0.00 0.00 54.13 53.89 3ek6 s LEU 10 Cb -0.09 -1.55 -0.05 0.00 -0.43 0.00 0.00 46.19 44.07 3ek6 s LEU 10 CO 0.06 -0.10 0.15 -0.22 -0.29 0.00 0.00 176.35 175.95 3ek6 s LEU 11 N 1.24 4.07 -0.16 -0.68 2.96 0.43 -1.29 118.68 125.24 3ek6 s LEU 11 Ca -0.01 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 3ek6 s LEU 11 Cb -0.16 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 3ek6 s LEU 11 CO -0.08 0.08 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.20 3ek6 s LYS 12 N 0.99 3.49 0.11 1.98 2.36 0.21 -1.32 119.74 127.56 3ek6 s LYS 12 Ca 0.07 -0.61 0.09 0.00 -2.55 0.00 0.00 55.97 52.98 3ek6 s LYS 12 Cb -0.13 -2.84 -0.04 0.00 -1.05 0.00 0.00 37.83 33.77 3ek6 s LYS 12 CO 0.04 0.12 -0.23 -0.51 1.55 0.00 0.00 175.35 176.31 3ek6 s LEU 13 N 0.65 2.30 0.61 5.43 1.43 0.13 -1.61 118.68 127.62 3ek6 s LEU 13 Ca -0.04 -0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 52.18 3ek6 s LEU 13 Cb -0.15 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 3ek6 s LEU 13 CO 0.02 0.11 1.20 -0.44 0.23 0.00 0.00 176.35 177.47 3ek6 s SER 14 N -1.92 5.10 0.22 2.29 0.01 -1.26 0.09 113.70 118.22 3ek6 s SER 14 Ca 0.09 2.35 -0.08 0.00 1.31 0.00 0.00 55.95 59.62 3ek6 s SER 14 Cb -0.10 -2.59 0.18 0.00 0.21 0.00 0.00 66.02 63.72 3ek6 s SER 14 CO 0.05 -1.65 1.84 1.23 0.41 0.00 0.00 173.24 175.12 3ek6 h GLY 15 N 0.71 1.25 2.00 3.44 0.00 -1.87 -2.76 103.07 105.84 3ek6 h GLY 15 Ca -0.50 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.26 3ek6 h GLY 15 CO 0.54 0.54 -0.00 1.05 0.00 0.00 0.00 176.54 178.68 3ek6 h GLU 16 N 1.17 0.00 -0.13 4.80 9.09 -1.88 -0.11 114.58 127.52 3ek6 h GLU 16 Ca 0.30 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.74 3ek6 h GLU 16 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 3ek6 h GLU 16 CO -0.05 0.00 0.18 0.00 0.05 0.00 0.00 179.01 179.19 3ek6 h ALA 17 N 2.00 1.63 0.00 1.06 0.00 -1.88 -1.67 119.26 120.40 3ek6 h ALA 17 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ek6 h ALA 17 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ek6 h ALA 17 CO 0.00 -0.24 -0.46 1.28 0.00 0.00 0.00 179.25 179.83 3ek6 n LEU 18 N -3.60 0.57 0.08 0.00 4.32 -0.06 -4.16 117.00 114.15 3ek6 n LEU 18 Ca 0.00 0.22 -0.12 0.00 -0.02 0.00 0.00 56.01 56.10 3ek6 n LEU 18 Cb 0.28 -0.25 -0.13 0.00 -1.62 0.00 0.00 43.42 41.70 3ek6 n LEU 18 CO 0.25 -0.00 0.04 -0.03 -1.22 0.00 0.00 177.39 176.42 3ek6 h MET 19 N 0.00 0.14 0.00 3.23 4.05 -1.38 -0.99 114.93 119.98 3ek6 h MET 19 Ca 0.00 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 3ek6 h MET 19 Cb 0.64 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 3ek6 h MET 19 CO 0.00 1.12 0.00 0.41 0.23 0.00 0.00 176.91 178.67 3ek6 n GLY 20 N 1.45 2.13 0.08 1.39 0.00 -1.25 -2.78 105.19 106.21 3ek6 n GLY 20 Ca -0.04 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.66 3ek6 n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ek6 n ASP 21 N 4.32 0.64 -4.29 1.61 10.43 -1.26 -4.91 116.55 123.08 3ek6 n ASP 21 Ca 0.00 0.56 -0.30 0.00 2.57 0.00 0.00 54.79 57.63 3ek6 n ASP 21 Cb 0.00 -0.73 0.18 0.00 1.84 0.00 0.00 41.12 42.40 3ek6 n ASP 21 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3ek6 s GLY 22 N -3.46 1.66 0.00 0.44 0.00 -1.12 -5.00 107.32 99.84 3ek6 s GLY 22 Ca 0.11 -0.91 0.15 0.00 0.00 0.00 0.00 44.72 44.07 3ek6 s GLY 22 CO 0.58 -0.19 1.03 2.09 0.00 0.00 0.00 173.10 176.60 3ek6 n ASP 23 N -3.97 2.39 -3.86 1.64 5.75 -1.26 -4.98 116.55 112.25 3ek6 n ASP 23 Ca 0.12 -1.68 -0.08 0.00 -0.01 0.00 0.00 54.79 53.14 3ek6 n ASP 23 Cb 0.60 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.62 3ek6 n ASP 23 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3ek6 s TYR 24 N -1.25 -0.04 0.00 2.11 -0.85 -1.26 -5.01 117.35 111.05 3ek6 s TYR 24 Ca 0.19 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.34 3ek6 s TYR 24 Cb 0.13 0.58 0.00 0.00 0.38 0.00 0.00 41.96 43.05 3ek6 s TYR 24 CO 0.19 -1.19 0.00 0.41 -1.52 0.00 0.00 175.55 173.44 3ek6 n GLY 25 N -0.44 0.35 3.02 5.49 0.00 -0.40 -4.82 105.19 108.38 3ek6 n GLY 25 Ca -0.04 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 3ek6 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek6 s ILE 26 N 0.00 1.04 -0.43 -0.61 1.01 -1.26 -3.99 121.20 116.96 3ek6 s ILE 26 Ca 0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 3ek6 s ILE 26 Cb 0.00 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.54 3ek6 s ILE 26 CO 0.00 0.33 0.64 -0.62 0.00 0.00 0.00 174.94 175.28 3ek6 s ASP 27 N 0.55 6.33 0.49 3.58 -1.08 -0.38 -4.95 116.67 121.21 3ek6 s ASP 27 Ca -0.11 -0.31 0.25 0.00 -0.52 0.00 0.00 52.55 51.86 3ek6 s ASP 27 Cb -0.14 -2.32 1.31 0.00 -1.46 0.00 0.00 42.92 40.31 3ek6 s ASP 27 CO 0.03 -0.76 1.88 1.55 0.52 0.00 0.00 175.17 178.39 3ek6 h PRO 28 N 8.84 0.16 -0.18 4.34 0.13 -1.95 0.15 132.00 143.49 3ek6 h PRO 28 Ca -0.26 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 3ek6 h PRO 28 Cb 1.10 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3ek6 h PRO 28 CO 0.88 0.11 -0.56 0.87 -0.23 0.00 0.00 178.00 179.07 3ek6 h LYS 29 N 0.17 0.56 -0.16 0.86 1.57 -1.96 -2.18 116.57 115.43 3ek6 h LYS 29 Ca 0.43 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3ek6 h LYS 29 Cb 1.43 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 3ek6 h LYS 29 CO -0.08 0.97 -0.03 0.28 -0.57 0.00 0.00 179.45 180.03 3ek6 h VAL 30 N 0.43 1.28 0.00 0.50 2.07 -1.32 -2.46 116.25 116.75 3ek6 h VAL 30 Ca 0.01 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 3ek6 h VAL 30 Cb 1.11 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 3ek6 h VAL 30 CO 0.11 0.28 -0.35 -0.29 0.02 0.00 0.00 177.57 177.34 3ek6 h ILE 31 N 0.01 1.18 -0.15 4.57 2.10 -1.35 -1.55 117.51 122.33 3ek6 h ILE 31 Ca 0.04 -1.24 -0.01 0.00 1.08 0.00 0.00 64.86 64.73 3ek6 h ILE 31 Cb 0.45 1.68 -0.01 0.00 -1.09 0.00 0.00 36.82 37.85 3ek6 h ILE 31 CO 0.01 0.35 0.05 -1.13 -1.08 0.00 0.00 178.15 176.35 3ek6 h ASN 32 N 0.00 0.22 -0.79 2.19 -1.24 -1.37 -1.43 115.58 113.16 3ek6 h ASN 32 Ca -0.00 -0.19 0.01 0.00 0.71 0.00 0.00 56.30 56.82 3ek6 h ASN 32 Cb 0.65 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.60 3ek6 h ASN 32 CO 0.05 0.36 0.52 0.03 -1.29 0.00 0.00 177.43 177.10 3ek6 h ARG 33 N 0.07 1.03 -0.06 6.67 3.08 -1.11 -1.16 114.38 122.91 3ek6 h ARG 33 Ca 0.05 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3ek6 h ARG 33 Cb 0.21 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3ek6 h ARG 33 CO -0.00 0.68 0.01 1.25 -1.07 0.00 0.00 179.97 180.85 3ek6 h LEU 34 N 1.06 0.01 -0.78 3.04 7.12 -1.23 -1.16 115.31 123.38 3ek6 h LEU 34 Ca 0.30 0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.39 3ek6 h LEU 34 Cb -0.10 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 39.97 3ek6 h LEU 34 CO -0.07 0.02 0.45 0.00 -0.13 0.00 0.00 178.44 178.71 3ek6 h ALA 35 N 1.04 1.07 -0.21 1.25 0.00 -1.05 -1.55 119.26 119.81 3ek6 h ALA 35 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ek6 h ALA 35 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ek6 h ALA 35 CO -0.03 0.13 0.11 1.25 0.00 0.00 0.00 179.25 180.70 3ek6 h HIS 36 N 0.80 0.30 -1.01 0.00 -0.00 -0.84 -1.11 115.15 113.29 3ek6 h HIS 36 Ca 0.36 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.75 3ek6 h HIS 36 Cb 0.25 -0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 27.51 3ek6 h HIS 36 CO -0.06 0.30 0.66 0.93 -0.00 0.00 0.00 177.93 179.76 3ek6 h GLU 37 N 0.22 1.24 -0.17 5.26 4.39 -0.91 -1.24 114.58 123.38 3ek6 h GLU 37 Ca 0.07 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3ek6 h GLU 37 Cb 0.10 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3ek6 h GLU 37 CO -0.01 0.82 -0.04 0.28 -1.16 0.00 0.00 179.01 178.90 3ek6 h VAL 38 N 1.28 1.29 -0.76 3.13 2.07 -0.92 -2.46 116.25 119.89 3ek6 h VAL 38 Ca 0.40 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3ek6 h VAL 38 Cb -0.00 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3ek6 h VAL 38 CO -0.12 0.30 0.49 0.40 0.02 0.00 0.00 177.57 178.65 3ek6 h ILE 39 N 0.03 1.14 -0.32 4.57 2.04 -1.09 -1.11 117.51 122.78 3ek6 h ILE 39 Ca 0.04 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.64 3ek6 h ILE 39 Cb 0.48 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 3ek6 h ILE 39 CO 0.02 0.18 -0.08 -0.08 0.00 0.00 0.00 178.15 178.19 3ek6 h GLU 40 N 0.96 0.00 -0.18 2.37 4.81 -1.07 0.18 114.58 121.65 3ek6 h GLU 40 Ca 0.30 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 3ek6 h GLU 40 Cb -0.02 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 3ek6 h GLU 40 CO -0.10 0.00 -0.06 0.00 -0.73 0.00 0.00 179.01 178.12 3ek6 h ALA 41 N 1.32 0.10 -0.75 2.92 0.00 -0.98 -1.70 119.26 120.17 3ek6 h ALA 41 Ca 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ek6 h ALA 41 Cb 0.23 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3ek6 h ALA 41 CO -0.33 -0.49 0.44 0.37 0.00 0.00 0.00 179.25 179.24 3ek6 h GLN 42 N -0.03 1.02 0.00 0.00 5.75 -0.63 -2.60 115.11 118.62 3ek6 h GLN 42 Ca 0.09 -0.09 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 3ek6 h GLN 42 Cb 0.17 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3ek6 h GLN 42 CO -0.20 0.72 -0.47 1.96 -2.65 0.00 0.00 178.83 178.19 3ek6 h GLN 43 N 1.04 0.00 0.00 1.69 4.20 -0.25 -1.86 115.11 119.93 3ek6 h GLN 43 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3ek6 h GLN 43 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3ek6 h GLN 43 CO -0.05 0.47 0.00 0.00 -0.67 0.00 0.00 178.83 178.58 3ek6 n ALA 44 N -2.37 2.07 0.00 3.87 0.00 -0.67 -4.86 120.51 118.55 3ek6 n ALA 44 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ek6 n ALA 44 Cb 0.54 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3ek6 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek6 n GLY 45 N 0.12 0.62 3.78 0.00 0.00 -0.70 -4.90 105.19 104.11 3ek6 n GLY 45 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3ek6 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 s ALA 46 N -2.00 2.99 -0.37 4.61 0.00 -1.04 -4.99 121.76 120.96 3ek6 s ALA 46 Ca 0.00 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 52.63 3ek6 s ALA 46 Cb 0.00 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 3ek6 s ALA 46 CO 0.00 -0.49 0.39 -0.65 0.00 0.00 0.00 175.76 175.01 3ek6 s GLN 47 N -2.69 3.43 -0.11 0.00 -0.21 -0.25 -4.30 119.66 115.53 3ek6 s GLN 47 Ca 0.62 -0.51 0.02 0.00 0.02 0.00 0.00 55.36 55.52 3ek6 s GLN 47 Cb -0.25 -3.85 -0.01 0.00 1.00 0.00 0.00 33.01 29.89 3ek6 s GLN 47 CO 0.31 -0.63 -0.18 0.14 -2.12 0.00 0.00 175.29 172.81 3ek6 s VAL 48 N 2.07 2.59 -0.01 1.09 -7.23 -1.26 -1.17 120.40 116.49 3ek6 s VAL 48 Ca 0.12 -0.84 0.04 0.00 -1.81 0.00 0.00 61.98 59.50 3ek6 s VAL 48 Cb -0.17 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 3ek6 s VAL 48 CO 0.12 0.55 -0.13 0.00 -0.31 0.00 0.00 175.10 175.33 3ek6 s ALA 49 N 0.21 2.76 0.03 1.32 0.00 -0.49 -2.06 121.76 123.54 3ek6 s ALA 49 Ca -0.11 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 50.88 3ek6 s ALA 49 Cb -0.16 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 3ek6 s ALA 49 CO 0.06 0.58 -0.24 -0.51 0.00 0.00 0.00 175.76 175.65 3ek6 s LEU 50 N -1.14 2.13 -0.06 0.00 1.43 0.75 -0.43 118.68 121.37 3ek6 s LEU 50 Ca 0.14 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3ek6 s LEU 50 Cb -0.11 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 44.96 3ek6 s LEU 50 CO 0.04 0.24 -0.01 -0.69 0.23 0.00 0.00 176.35 176.16 3ek6 s VAL 51 N -0.74 0.41 -0.06 -1.59 1.01 -0.43 -0.22 120.40 118.79 3ek6 s VAL 51 Ca 0.10 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.18 3ek6 s VAL 51 Cb -0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 3ek6 s VAL 51 CO 0.01 0.25 -0.22 -0.63 0.00 0.00 0.00 175.10 174.51 3ek6 s ILE 52 N 1.64 1.84 0.80 2.22 1.01 -1.26 -0.69 121.20 126.77 3ek6 s ILE 52 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 3ek6 s ILE 52 Cb -0.13 -1.57 0.20 0.00 0.01 0.00 0.00 42.46 40.97 3ek6 s ILE 52 CO -0.04 0.52 0.72 0.61 0.00 0.00 0.00 174.94 176.75 3ek6 n GLY 53 N 3.11 -2.64 0.05 6.18 0.00 0.11 -4.78 105.19 107.22 3ek6 n GLY 53 Ca -0.18 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3ek6 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek6 n GLY 54 N -2.25 2.42 0.21 -0.02 0.00 -1.26 -3.45 105.19 100.84 3ek6 n GLY 54 Ca 0.10 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.24 3ek6 n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ek6 h GLY 55 N 0.16 0.00 2.00 -0.02 0.00 -1.88 0.50 103.07 103.83 3ek6 h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ek6 h GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 176.54 179.99 3ek6 h ASN 56 N 0.00 0.00 0.00 0.19 -0.00 -1.88 -3.38 115.58 110.51 3ek6 h ASN 56 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.15 3ek6 h ASN 56 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.49 3ek6 h ASN 56 CO 0.00 0.00 -1.53 -0.38 -0.00 0.00 0.00 177.43 175.52 3ek6 n ILE 57 N -2.76 0.53 -2.74 6.14 2.08 -0.49 -1.28 119.36 120.84 3ek6 n ILE 57 Ca 0.03 -0.16 -0.43 0.00 0.56 0.00 0.00 62.75 62.75 3ek6 n ILE 57 Cb 0.41 -1.35 0.00 0.00 -0.75 0.00 0.00 39.64 37.96 3ek6 n ILE 57 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 3ek6 n PHE 58 N -3.20 4.80 -3.97 1.39 -0.00 0.05 -4.88 117.46 111.64 3ek6 n PHE 58 Ca -0.18 -3.08 -0.09 0.00 -0.00 0.00 0.00 57.45 54.10 3ek6 n PHE 58 Cb 0.65 -2.43 -0.05 0.00 -0.00 0.00 0.00 39.48 37.64 3ek6 n PHE 58 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 3ek6 s ARG 59 N 2.98 1.47 0.00 -4.13 1.70 -1.26 -4.61 118.95 115.10 3ek6 s ARG 59 Ca 0.49 -1.21 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 3ek6 s ARG 59 Cb 0.01 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 3ek6 s ARG 59 CO 0.04 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.07 3ek6 n GLY 60 N -0.35 -0.77 0.23 3.88 0.00 -1.26 -4.08 105.19 102.83 3ek6 n GLY 60 Ca -0.03 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.40 3ek6 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 h ALA 61 N 0.00 1.74 0.00 4.61 0.00 -2.00 -0.52 119.26 123.08 3ek6 h ALA 61 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3ek6 h ALA 61 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3ek6 h ALA 61 CO 0.00 0.20 -1.23 0.78 0.00 0.00 0.00 179.25 179.00 3ek6 h GLY 62 N 0.48 0.00 0.00 0.00 0.00 -1.98 -3.15 103.07 98.42 3ek6 h GLY 62 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ek6 h GLY 62 CO 0.02 0.00 -0.86 1.04 0.00 0.00 0.00 176.54 176.74 3ek6 n LEU 63 N -2.96 1.90 -2.98 3.11 4.77 -1.14 -4.43 117.00 115.27 3ek6 n LEU 63 Ca -0.07 0.42 -0.33 0.00 -0.03 0.00 0.00 56.01 56.01 3ek6 n LEU 63 Cb 0.82 -0.78 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3ek6 n LEU 63 CO 0.43 -0.33 2.19 0.00 -1.33 0.00 0.00 177.39 178.34 3ek6 n ALA 64 N -4.21 6.75 -1.68 -1.18 0.00 -0.22 -4.90 120.51 115.09 3ek6 n ALA 64 Ca -0.12 -3.43 -0.46 0.00 0.00 0.00 0.00 53.44 49.43 3ek6 n ALA 64 Cb 0.44 -2.60 -0.04 0.00 0.00 0.00 0.00 19.45 17.25 3ek6 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ek6 n ALA 65 N 1.78 1.53 0.01 0.00 0.00 -1.19 -4.66 120.51 117.98 3ek6 n ALA 65 Ca 0.58 0.44 0.01 0.00 0.00 0.00 0.00 53.44 54.47 3ek6 n ALA 65 Cb 0.42 -2.38 0.05 0.00 0.00 0.00 0.00 19.45 17.54 3ek6 n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ek6 n SER 66 N 3.60 0.05 -0.38 0.00 7.64 -1.26 -2.68 113.62 120.59 3ek6 n SER 66 Ca 0.17 0.51 0.01 0.00 1.01 0.00 0.00 58.87 60.57 3ek6 n SER 66 Cb 0.30 -0.52 0.01 0.00 -1.01 0.00 0.00 64.21 62.99 3ek6 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ek6 n GLY 67 N -1.47 0.41 3.74 0.23 0.00 -1.26 -5.11 105.19 101.73 3ek6 n GLY 67 Ca -0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3ek6 n GLY 67 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ek6 s MET 68 N -0.27 1.28 0.17 1.61 0.00 -1.09 -4.96 119.30 116.03 3ek6 s MET 68 Ca 0.03 0.64 -0.32 0.00 0.00 0.00 0.00 55.69 56.04 3ek6 s MET 68 Cb 0.02 -1.83 -0.11 0.00 0.00 0.00 0.00 34.83 32.92 3ek6 s MET 68 CO 0.00 -2.18 1.68 0.34 0.00 0.00 0.00 175.02 174.86 3ek6 s ASP 69 N -3.64 6.48 0.16 1.11 -1.08 -1.26 -4.91 116.67 113.54 3ek6 s ASP 69 Ca 0.63 2.73 -0.14 0.00 -0.52 0.00 0.00 52.55 55.25 3ek6 s ASP 69 Cb -0.17 -2.59 0.05 0.00 -1.46 0.00 0.00 42.92 38.75 3ek6 s ASP 69 CO 0.56 -0.92 1.78 -0.09 0.52 0.00 0.00 175.17 177.02 3ek6 h ARG 70 N 7.22 0.70 -0.66 4.34 9.65 -1.99 -0.81 114.38 132.83 3ek6 h ARG 70 Ca -0.43 -0.07 0.06 0.00 -1.10 0.00 0.00 59.98 58.43 3ek6 h ARG 70 Cb 1.20 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.59 3ek6 h ARG 70 CO 0.94 0.53 0.37 0.28 2.80 0.00 0.00 179.97 184.89 3ek6 h VAL 71 N 0.68 0.98 -0.51 0.20 2.07 -1.99 -0.01 116.25 117.67 3ek6 h VAL 71 Ca 0.18 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3ek6 h VAL 71 Cb 0.02 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3ek6 h VAL 71 CO -0.03 0.13 0.24 0.74 0.02 0.00 0.00 177.57 178.66 3ek6 h THR 72 N 0.69 1.20 -0.47 2.57 2.02 -1.83 -0.79 112.91 116.29 3ek6 h THR 72 Ca 0.29 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.93 3ek6 h THR 72 Cb 0.17 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3ek6 h THR 72 CO -0.18 0.22 0.29 1.23 0.37 0.00 0.00 175.52 177.46 3ek6 h GLY 73 N 0.67 0.67 1.26 2.16 0.00 -0.54 -1.27 103.07 106.02 3ek6 h GLY 73 Ca 0.17 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3ek6 h GLY 73 CO -0.02 0.20 0.14 -0.55 0.00 0.00 0.00 176.54 176.31 3ek6 h ASP 74 N 0.59 0.86 -0.48 0.19 3.32 -0.77 0.28 116.42 120.42 3ek6 h ASP 74 Ca 0.18 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3ek6 h ASP 74 Cb -0.01 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3ek6 h ASP 74 CO -0.07 0.84 0.13 0.45 -1.72 0.00 0.00 179.24 178.88 3ek6 h HIS 75 N 0.88 0.79 -0.53 4.55 3.86 -0.92 -0.79 115.15 122.98 3ek6 h HIS 75 Ca 0.19 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.34 3ek6 h HIS 75 Cb 0.32 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 3ek6 h HIS 75 CO 0.02 0.70 0.31 0.52 0.86 0.00 0.00 177.93 180.35 3ek6 h MET 76 N 0.64 0.60 -0.63 2.45 2.86 -0.67 -1.34 114.93 118.85 3ek6 h MET 76 Ca 0.15 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3ek6 h MET 76 Cb 0.30 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3ek6 h MET 76 CO -0.00 0.40 0.36 0.78 1.06 0.00 0.00 176.91 179.51 3ek6 h GLY 77 N 0.62 0.92 0.77 8.32 0.00 -0.76 -1.90 103.07 111.04 3ek6 h GLY 77 Ca 0.22 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.19 3ek6 h GLY 77 CO -0.10 0.38 0.24 -0.33 0.00 0.00 0.00 176.54 176.73 3ek6 h MET 78 N 0.85 0.46 -0.49 4.80 2.86 -0.55 -1.03 114.93 121.82 3ek6 h MET 78 Ca 0.22 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.77 3ek6 h MET 78 Cb 0.00 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3ek6 h MET 78 CO -0.04 0.30 0.05 -0.07 1.06 0.00 0.00 176.91 178.21 3ek6 h LEU 79 N 0.47 0.75 -0.93 1.22 -0.00 -1.03 -2.42 115.31 113.38 3ek6 h LEU 79 Ca 0.20 -0.16 0.02 0.00 -0.00 0.00 0.00 57.88 57.94 3ek6 h LEU 79 Cb 0.10 -0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 40.51 3ek6 h LEU 79 CO -0.14 0.79 0.61 0.00 -0.00 0.00 0.00 178.44 179.70 3ek6 h ALA 80 N 1.30 1.20 -0.87 1.53 0.00 -0.65 -1.82 119.26 119.95 3ek6 h ALA 80 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ek6 h ALA 80 Cb 0.39 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3ek6 h ALA 80 CO 0.01 0.52 0.51 1.15 0.00 0.00 0.00 179.25 181.44 3ek6 h THR 81 N 1.21 1.25 -0.55 0.00 2.02 -0.86 -1.12 112.91 114.86 3ek6 h THR 81 Ca 0.35 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 3ek6 h THR 81 Cb -0.07 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 3ek6 h THR 81 CO -0.10 0.27 0.02 0.58 0.37 0.00 0.00 175.52 176.66 3ek6 h VAL 82 N 1.21 1.26 -0.59 3.16 2.07 -0.95 -0.85 116.25 121.56 3ek6 h VAL 82 Ca 0.31 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.78 3ek6 h VAL 82 Cb -0.02 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3ek6 h VAL 82 CO -0.06 0.38 0.38 0.40 0.02 0.00 0.00 177.57 178.69 3ek6 h ILE 83 N 0.83 1.10 -0.72 4.57 2.04 -0.81 -1.22 117.51 123.30 3ek6 h ILE 83 Ca 0.16 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 3ek6 h ILE 83 Cb 0.50 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3ek6 h ILE 83 CO 0.02 0.14 0.18 0.78 0.00 0.00 0.00 178.15 179.27 3ek6 h ASN 84 N 0.75 1.08 -0.81 1.72 -0.26 -1.16 -2.36 115.58 114.54 3ek6 h ASN 84 Ca 0.23 -0.23 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 3ek6 h ASN 84 Cb -0.02 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 36.92 3ek6 h ASN 84 CO -0.08 1.03 0.38 0.00 -1.06 0.00 0.00 177.43 177.70 3ek6 h ALA 85 N 1.10 1.05 -0.71 -0.83 0.00 -0.57 0.85 119.26 120.15 3ek6 h ALA 85 Ca 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3ek6 h ALA 85 Cb 0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ek6 h ALA 85 CO 0.00 0.62 0.23 -0.07 0.00 0.00 0.00 179.25 180.03 3ek6 h LEU 86 N 1.15 1.00 -0.43 0.00 3.38 -1.11 0.98 115.31 120.29 3ek6 h LEU 86 Ca 0.28 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 3ek6 h LEU 86 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ek6 h LEU 86 CO -0.03 0.92 -0.76 0.00 0.09 0.00 0.00 178.44 178.66 3ek6 h ALA 87 N 1.21 0.65 -0.51 1.53 0.00 -1.04 -1.78 119.26 119.32 3ek6 h ALA 87 Ca 0.23 -0.64 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 3ek6 h ALA 87 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ek6 h ALA 87 CO -0.01 0.82 -0.13 1.98 0.00 0.00 0.00 179.25 181.91 3ek6 h MET 88 N 0.16 0.97 -0.40 0.00 1.85 -0.39 -2.46 114.93 114.66 3ek6 h MET 88 Ca -0.03 -0.37 -0.00 0.00 -0.61 0.00 0.00 59.70 58.69 3ek6 h MET 88 Cb 1.33 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 33.29 3ek6 h MET 88 CO 0.12 1.04 0.24 0.37 -0.40 0.00 0.00 176.91 178.28 3ek6 h GLN 89 N 0.86 0.54 0.14 0.39 4.15 -0.62 -2.10 115.11 118.48 3ek6 h GLN 89 Ca 0.13 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3ek6 h GLN 89 Cb 0.69 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 3ek6 h GLN 89 CO 0.05 0.40 -0.13 0.22 -1.93 0.00 0.00 178.83 177.44 3ek6 h ASP 90 N 0.53 -0.34 -0.71 -0.69 3.58 -1.22 -1.12 116.42 116.45 3ek6 h ASP 90 Ca 0.14 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.67 3ek6 h ASP 90 Cb -0.00 0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.11 3ek6 h ASP 90 CO -0.03 -0.20 0.43 0.00 -2.88 0.00 0.00 179.24 176.56 3ek6 h ALA 91 N 0.54 0.95 -0.27 -0.78 0.00 -1.37 -1.58 119.26 116.75 3ek6 h ALA 91 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3ek6 h ALA 91 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ek6 h ALA 91 CO -0.03 0.17 0.07 -0.07 0.00 0.00 0.00 179.25 179.39 3ek6 h LEU 92 N 0.82 0.41 -1.22 0.00 3.38 -1.21 -3.12 115.31 114.36 3ek6 h LEU 92 Ca 0.30 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ek6 h LEU 92 Cb 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3ek6 h LEU 92 CO -0.14 0.53 0.12 -0.33 0.09 0.00 0.00 178.44 178.70 3ek6 h GLU 93 N 0.27 0.65 0.00 1.13 5.08 -0.96 -0.67 114.58 120.08 3ek6 h GLU 93 Ca 0.08 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ek6 h GLU 93 Cb 0.28 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ek6 h GLU 93 CO 0.00 0.59 0.00 0.87 -1.00 0.00 0.00 179.01 179.47 3ek6 h LYS 94 N 0.64 0.00 -0.53 2.33 1.57 -1.23 -1.21 116.57 118.14 3ek6 h LYS 94 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3ek6 h LYS 94 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3ek6 h LYS 94 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 3ek6 n LEU 95 N -2.88 3.69 0.00 2.94 4.32 -0.32 -4.94 117.00 119.81 3ek6 n LEU 95 Ca -0.01 -1.69 0.00 0.00 -0.02 0.00 0.00 56.01 54.28 3ek6 n LEU 95 Cb 0.14 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 3ek6 n LEU 95 CO 0.20 0.85 0.00 0.61 -1.22 0.00 0.00 177.39 177.83 3ek6 n GLY 96 N 1.59 0.80 3.78 -0.72 0.00 -0.45 -5.06 105.19 105.12 3ek6 n GLY 96 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3ek6 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 s ALA 97 N -2.53 2.98 -0.11 4.61 0.00 -0.80 -4.97 121.76 120.94 3ek6 s ALA 97 Ca 0.00 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 3ek6 s ALA 97 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3ek6 s ALA 97 CO 0.00 -0.40 0.44 0.15 0.00 0.00 0.00 175.76 175.95 3ek6 s LYS 98 N -2.77 4.28 -0.01 0.00 1.02 -1.26 -4.07 119.74 116.93 3ek6 s LYS 98 Ca 0.63 0.38 -0.05 0.00 0.02 0.00 0.00 55.97 56.95 3ek6 s LYS 98 Cb -0.23 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 3ek6 s LYS 98 CO 0.28 0.23 0.10 0.54 -0.92 0.00 0.00 175.35 175.58 3ek6 s VAL 99 N 0.41 0.06 -0.08 3.17 0.11 -1.26 -1.20 120.40 121.62 3ek6 s VAL 99 Ca 0.24 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 3ek6 s VAL 99 Cb -0.15 -0.32 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 3ek6 s VAL 99 CO 0.09 -0.28 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.38 3ek6 s ARG 100 N -0.92 1.37 -0.27 1.54 1.81 -0.34 -4.94 118.95 117.19 3ek6 s ARG 100 Ca -0.10 -0.25 -0.14 0.00 -1.72 0.00 0.00 55.73 53.52 3ek6 s ARG 100 Cb -0.06 -1.31 -0.04 0.00 -0.45 0.00 0.00 34.95 33.09 3ek6 s ARG 100 CO 0.01 -0.12 0.32 0.08 -0.68 0.00 0.00 175.30 174.90 3ek6 s VAL 101 N 1.17 5.22 0.02 3.52 1.01 -1.26 -0.89 120.40 129.19 3ek6 s VAL 101 Ca -0.06 0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.46 3ek6 s VAL 101 Cb -0.14 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3ek6 s VAL 101 CO -0.02 0.19 -0.25 -0.04 0.00 0.00 0.00 175.10 174.99 3ek6 s MET 102 N 1.93 1.94 0.07 2.72 -1.94 0.93 -2.27 119.30 122.69 3ek6 s MET 102 Ca 0.13 -1.03 0.08 0.00 -1.71 0.00 0.00 55.69 53.15 3ek6 s MET 102 Cb -0.16 -2.04 -0.03 0.00 2.01 0.00 0.00 34.83 34.61 3ek6 s MET 102 CO 0.10 0.53 -0.20 0.45 -0.01 0.00 0.00 175.02 175.89 3ek6 s SER 103 N -1.09 2.46 0.53 3.03 0.15 0.47 -0.48 113.70 118.77 3ek6 s SER 103 Ca 0.12 -0.60 0.31 0.00 0.70 0.00 0.00 55.95 56.47 3ek6 s SER 103 Cb -0.10 -0.17 1.40 0.00 -1.71 0.00 0.00 66.02 65.44 3ek6 s SER 103 CO 0.02 0.10 2.01 0.00 1.20 0.00 0.00 173.24 176.57 3ek6 h ALA 104 N 4.46 1.07 -3.15 5.45 0.00 -1.58 -2.09 119.26 123.41 3ek6 h ALA 104 Ca -0.44 -0.08 -0.60 0.00 0.00 0.00 0.00 54.91 53.79 3ek6 h ALA 104 Cb 1.17 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.59 3ek6 h ALA 104 CO 0.42 0.11 -0.84 0.96 0.00 0.00 0.00 179.25 179.90 3ek6 s ILE 105 N -3.84 1.59 0.35 0.00 -4.36 -1.26 -4.74 121.20 108.94 3ek6 s ILE 105 Ca -0.01 -0.66 -0.26 0.00 -0.26 0.00 0.00 60.65 59.46 3ek6 s ILE 105 Cb 0.11 -1.48 -0.09 0.00 1.25 0.00 0.00 42.46 42.25 3ek6 s ILE 105 CO 0.56 0.46 1.06 -0.75 0.24 0.00 0.00 174.94 176.51 3ek6 s LYS 106 N 1.34 4.38 -0.17 0.37 2.20 -1.26 -4.92 119.74 121.67 3ek6 s LYS 106 Ca 0.02 1.61 -0.04 0.00 -0.36 0.00 0.00 55.97 57.19 3ek6 s LYS 106 Cb -0.13 -2.81 0.08 0.00 -1.51 0.00 0.00 37.83 33.45 3ek6 s LYS 106 CO -0.08 0.03 0.19 0.42 -0.36 0.00 0.00 175.35 175.54 3ek6 s ILE 107 N -1.46 -0.28 0.14 5.43 1.01 -1.20 -5.05 121.20 119.80 3ek6 s ILE 107 Ca 0.52 0.01 -0.34 0.00 0.00 0.00 0.00 60.65 60.85 3ek6 s ILE 107 Cb -0.26 -0.56 -0.13 0.00 0.01 0.00 0.00 42.46 41.52 3ek6 s ILE 107 CO 0.32 -0.12 1.62 0.59 0.00 0.00 0.00 174.94 177.36 3ek6 n ASN 108 N 5.32 3.23 0.00 3.58 3.02 -1.26 -1.72 115.26 127.42 3ek6 n ASN 108 Ca -0.06 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 3ek6 n ASN 108 Cb 0.50 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 3ek6 n ASN 108 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ek6 n ASP 109 N 3.79 -0.04 -0.07 6.41 4.64 -1.26 -4.66 116.55 125.36 3ek6 n ASP 109 Ca 0.17 0.00 -0.08 0.00 -1.38 0.00 0.00 54.79 53.51 3ek6 n ASP 109 Cb 0.30 -1.40 -0.09 0.00 -1.04 0.00 0.00 41.12 38.89 3ek6 n ASP 109 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3ek6 n VAL 110 N -2.00 0.86 -3.64 5.18 0.24 -0.93 -5.06 118.33 112.98 3ek6 n VAL 110 Ca 0.00 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.34 61.75 3ek6 n VAL 110 Cb 0.00 -0.80 -0.07 0.00 -1.47 0.00 0.00 33.84 31.51 3ek6 n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek6 s GLU 112 N 0.67 2.13 0.52 0.00 -1.05 -0.96 -3.23 118.70 116.78 3ek6 s GLU 112 Ca -0.02 0.64 -0.17 0.00 -0.15 0.00 0.00 54.97 55.27 3ek6 s GLU 112 Cb -0.05 -1.92 -0.07 0.00 -0.44 0.00 0.00 34.13 31.64 3ek6 s GLU 112 CO -0.08 -1.59 1.00 0.34 0.95 0.00 0.00 175.26 175.88 3ek6 s ASP 113 N -3.92 6.51 0.14 0.83 3.68 -1.26 -0.40 116.67 122.25 3ek6 s ASP 113 Ca 0.61 1.63 -0.31 0.00 2.13 0.00 0.00 52.55 56.61 3ek6 s ASP 113 Cb -0.14 -2.52 -0.08 0.00 -1.45 0.00 0.00 42.92 38.73 3ek6 s ASP 113 CO 0.54 -0.67 1.33 0.12 0.13 0.00 0.00 175.17 176.62 3ek6 s PHE 114 N -2.55 3.28 -0.12 -5.34 5.36 -0.79 -4.62 117.98 113.21 3ek6 s PHE 114 Ca 0.60 1.11 -0.03 0.00 -0.96 0.00 0.00 56.93 57.66 3ek6 s PHE 114 Cb -0.11 -3.61 0.04 0.00 -0.34 0.00 0.00 43.02 39.00 3ek6 s PHE 114 CO 0.31 -2.01 0.05 0.42 -1.46 0.00 0.00 175.22 172.52 3ek6 s ILE 115 N 0.68 0.12 0.17 3.12 1.01 -1.26 -5.02 121.20 120.02 3ek6 s ILE 115 Ca 0.60 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 61.06 3ek6 s ILE 115 Cb -0.36 -0.53 0.10 0.00 0.01 0.00 0.00 42.46 41.68 3ek6 s ILE 115 CO 0.33 -0.02 1.65 -0.09 0.00 0.00 0.00 174.94 176.81 3ek6 h ARG 116 N 8.37 -0.07 -0.85 2.79 2.43 -1.94 0.85 114.38 125.96 3ek6 h ARG 116 Ca -0.15 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3ek6 h ARG 116 Cb 1.13 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.64 3ek6 h ARG 116 CO 0.25 -0.05 0.54 0.00 -1.51 0.00 0.00 179.97 179.20 3ek6 h ARG 117 N -0.08 0.99 -0.22 0.20 3.08 -1.96 -1.84 114.38 114.55 3ek6 h ARG 117 Ca 0.20 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.01 3ek6 h ARG 117 Cb 0.38 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3ek6 h ARG 117 CO -0.46 0.65 -0.54 0.00 -1.07 0.00 0.00 179.97 178.55 3ek6 h ARG 118 N 1.02 0.76 -0.49 0.04 2.47 -1.65 -2.83 114.38 113.70 3ek6 h ARG 118 Ca 0.35 -0.52 0.10 0.00 -1.26 0.00 0.00 59.98 58.65 3ek6 h ARG 118 Cb 0.08 0.08 -0.09 0.00 -1.65 0.00 0.00 29.97 28.38 3ek6 h ARG 118 CO -0.14 1.15 -0.11 0.00 0.56 0.00 0.00 179.97 181.43 3ek6 h ALA 119 N 0.62 0.34 -0.58 0.04 0.00 -0.63 -0.48 119.26 118.57 3ek6 h ALA 119 Ca -0.00 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3ek6 h ALA 119 Cb 1.16 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3ek6 h ALA 119 CO 0.12 -0.44 0.00 0.82 0.00 0.00 0.00 179.25 179.75 3ek6 h ILE 120 N 0.01 1.26 0.00 0.00 2.04 -1.29 -2.19 117.51 117.35 3ek6 h ILE 120 Ca 0.24 -1.12 -0.13 0.00 1.00 0.00 0.00 64.86 64.85 3ek6 h ILE 120 Cb 0.36 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3ek6 h ILE 120 CO -0.49 0.40 -0.60 0.08 0.00 0.00 0.00 178.15 177.55 3ek6 h ARG 121 N 0.92 0.00 -0.45 2.37 0.11 -1.23 -1.82 114.38 114.29 3ek6 h ARG 121 Ca 0.17 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.29 3ek6 h ARG 121 Cb 0.53 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.57 3ek6 h ARG 121 CO 0.03 0.60 0.21 0.45 0.10 0.00 0.00 179.97 181.36 3ek6 h HIS 122 N 0.00 0.39 -0.60 4.08 3.86 -0.65 -1.83 115.15 120.40 3ek6 h HIS 122 Ca -0.01 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 3ek6 h HIS 122 Cb 1.19 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 3ek6 h HIS 122 CO 0.00 0.19 0.21 -0.07 0.86 0.00 0.00 177.93 179.12 3ek6 h LEU 123 N 0.43 0.81 -1.07 2.43 -0.00 -0.97 -0.58 115.31 116.36 3ek6 h LEU 123 Ca 0.20 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 3ek6 h LEU 123 Cb 0.12 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 40.57 3ek6 h LEU 123 CO -0.15 0.75 -0.09 -0.33 -0.00 0.00 0.00 178.44 178.62 3ek6 h GLU 124 N 0.86 0.00 -0.21 1.13 5.08 -0.99 -1.62 114.58 118.84 3ek6 h GLU 124 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3ek6 h GLU 124 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3ek6 h GLU 124 CO -0.01 0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 3ek6 n LYS 125 N -3.19 1.71 -0.98 2.33 5.02 -0.72 -4.91 118.16 117.42 3ek6 n LYS 125 Ca 0.01 -1.08 0.00 0.00 -2.02 0.00 0.00 58.31 55.22 3ek6 n LYS 125 Cb 0.40 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3ek6 n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ek6 n GLY 126 N 1.09 0.42 3.84 0.72 0.00 -0.61 -5.04 105.19 105.61 3ek6 n GLY 126 Ca 0.15 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 3ek6 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek6 s ARG 127 N -1.42 4.05 -0.10 1.61 0.52 -0.27 -4.73 118.95 118.62 3ek6 s ARG 127 Ca 0.00 0.59 -0.25 0.00 -0.52 0.00 0.00 55.73 55.55 3ek6 s ARG 127 Cb 0.00 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 3ek6 s ARG 127 CO 0.00 0.46 0.80 0.42 0.02 0.00 0.00 175.30 177.00 3ek6 s ILE 128 N -1.47 4.95 -0.18 1.52 1.01 -0.34 -4.03 121.20 122.66 3ek6 s ILE 128 Ca 0.39 1.62 -0.12 0.00 0.00 0.00 0.00 60.65 62.54 3ek6 s ILE 128 Cb -0.15 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 3ek6 s ILE 128 CO 0.20 0.15 0.21 0.00 0.00 0.00 0.00 174.94 175.49 3ek6 s ALA 129 N 1.37 3.64 -0.17 9.38 0.00 -0.87 -1.20 121.76 133.91 3ek6 s ALA 129 Ca 0.40 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3ek6 s ALA 129 Cb -0.18 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.67 3ek6 s ALA 129 CO 0.18 0.11 -0.17 0.42 0.00 0.00 0.00 175.76 176.30 3ek6 s ILE 130 N 0.45 2.46 -0.19 0.00 1.01 -0.07 -0.17 121.20 124.68 3ek6 s ILE 130 Ca 0.12 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 3ek6 s ILE 130 Cb -0.12 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3ek6 s ILE 130 CO 0.01 0.52 0.09 -0.36 0.00 0.00 0.00 174.94 175.20 3ek6 s PHE 131 N 1.01 3.30 0.16 3.97 0.08 0.70 -0.05 117.98 127.15 3ek6 s PHE 131 Ca -0.02 0.15 0.10 0.00 0.12 0.00 0.00 56.93 57.28 3ek6 s PHE 131 Cb -0.15 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.14 3ek6 s PHE 131 CO -0.04 0.18 -0.16 0.00 -0.10 0.00 0.00 175.22 175.10 3ek6 s ALA 132 N 0.43 2.74 0.00 5.36 0.00 0.37 -4.30 121.76 126.37 3ek6 s ALA 132 Ca 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3ek6 s ALA 132 Cb -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3ek6 s ALA 132 CO -0.00 0.51 0.00 0.00 0.00 0.00 0.00 175.76 176.26 3ek6 n ALA 133 N 0.39 0.00 -0.78 0.00 0.00 -1.26 -1.77 120.51 117.09 3ek6 n ALA 133 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3ek6 n ALA 133 Cb 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3ek6 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek6 n GLY 134 N -2.94 2.70 0.04 0.00 0.00 -1.26 -1.59 105.19 102.13 3ek6 n GLY 134 Ca 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.82 3ek6 n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ek6 n THR 135 N 0.00 0.00 -0.92 2.61 -2.24 -1.26 -4.55 114.28 107.91 3ek6 n THR 135 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3ek6 n THR 135 Cb 0.00 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 3ek6 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ek6 n GLY 136 N 1.45 0.80 3.34 3.38 0.00 -0.62 -4.96 105.19 108.58 3ek6 n GLY 136 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3ek6 n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ek6 s ASN 137 N -2.62 3.19 0.86 1.61 0.01 -1.26 -4.98 114.94 111.74 3ek6 s ASN 137 Ca 0.00 -0.52 -0.12 0.00 -0.71 0.00 0.00 52.86 51.51 3ek6 s ASN 137 Cb 0.00 -0.35 0.10 0.00 0.41 0.00 0.00 41.25 41.42 3ek6 s ASN 137 CO 0.00 0.29 1.10 -2.16 -1.51 0.00 0.00 177.10 174.81 3ek6 s PRO 138 N -0.99 1.60 0.00 -0.60 0.04 -1.26 -3.61 135.00 130.18 3ek6 s PRO 138 Ca 0.11 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.83 3ek6 s PRO 138 Cb -0.10 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3ek6 s PRO 138 CO 0.01 -1.97 0.00 1.19 0.04 0.00 0.00 177.00 176.27 3ek6 n PHE 139 N -3.67 0.00 -5.03 0.56 3.72 -1.26 -4.99 117.46 106.79 3ek6 n PHE 139 Ca 0.07 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.15 3ek6 n PHE 139 Cb 0.56 -0.46 -0.14 0.00 -0.94 0.00 0.00 39.48 38.50 3ek6 n PHE 139 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3ek6 s PHE 140 N -2.32 2.55 0.41 1.38 0.08 -1.24 -5.14 117.98 113.71 3ek6 s PHE 140 Ca 0.00 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 3ek6 s PHE 140 Cb 0.00 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.85 3ek6 s PHE 140 CO 0.00 0.11 0.67 -0.08 -0.10 0.00 0.00 175.22 175.81 3ek6 s THR 141 N -0.70 5.00 0.29 0.64 -1.32 -1.26 -4.93 115.64 113.37 3ek6 s THR 141 Ca 0.11 -0.14 -0.02 0.00 -1.21 0.00 0.00 61.69 60.43 3ek6 s THR 141 Cb -0.10 -3.86 0.26 0.00 -1.51 0.00 0.00 72.50 67.29 3ek6 s THR 141 CO 0.00 -0.70 1.96 0.74 -2.21 0.00 0.00 174.62 174.41 3ek6 h THR 142 N 0.49 1.22 -0.51 5.08 2.02 -2.00 -1.95 112.91 117.26 3ek6 h THR 142 Ca -0.48 -0.39 0.08 0.00 0.77 0.00 0.00 66.41 66.39 3ek6 h THR 142 Cb 1.21 -0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 3ek6 h THR 142 CO 0.61 0.21 0.13 0.44 0.37 0.00 0.00 175.52 177.28 3ek6 h ASP 143 N 1.15 0.06 -0.39 4.18 3.32 -1.99 -0.37 116.42 122.37 3ek6 h ASP 143 Ca 0.31 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.47 3ek6 h ASP 143 Cb -0.13 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3ek6 h ASP 143 CO -0.07 0.06 0.21 0.28 -1.72 0.00 0.00 179.24 177.99 3ek6 h SER 144 N 0.27 0.31 -1.00 6.45 0.02 -1.71 -0.45 113.55 117.45 3ek6 h SER 144 Ca 0.26 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 3ek6 h SER 144 Cb 0.33 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 3ek6 h SER 144 CO -0.31 0.23 0.65 1.23 -1.14 0.00 0.00 176.83 177.49 3ek6 h GLY 145 N 0.42 1.41 0.90 -3.77 0.00 -1.02 -1.47 103.07 99.54 3ek6 h GLY 145 Ca 0.17 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3ek6 h GLY 145 CO -0.11 0.52 0.09 0.00 0.00 0.00 0.00 176.54 177.05 3ek6 h ALA 146 N 1.36 0.28 -0.60 3.60 0.00 -0.38 -1.14 119.26 122.38 3ek6 h ALA 146 Ca 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3ek6 h ALA 146 Cb -0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3ek6 h ALA 146 CO -0.08 -0.14 0.31 0.00 0.00 0.00 0.00 179.25 179.34 3ek6 h ALA 147 N 0.94 0.77 -0.07 0.00 0.00 -0.94 -0.46 119.26 119.49 3ek6 h ALA 147 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ek6 h ALA 147 Cb 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ek6 h ALA 147 CO -0.01 0.31 0.04 1.25 0.00 0.00 0.00 179.25 180.85 3ek6 h LEU 148 N 0.82 0.08 -0.55 0.00 6.46 -1.13 -1.34 115.31 119.64 3ek6 h LEU 148 Ca 0.21 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 3ek6 h LEU 148 Cb 0.08 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 3ek6 h LEU 148 CO -0.03 0.08 0.13 0.03 -0.62 0.00 0.00 178.44 178.02 3ek6 h ARG 149 N 0.08 0.89 -0.46 1.25 2.47 -1.13 -0.12 114.38 117.36 3ek6 h ARG 149 Ca 0.03 -0.22 0.08 0.00 -1.26 0.00 0.00 59.98 58.60 3ek6 h ARG 149 Cb 0.01 -0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.15 3ek6 h ARG 149 CO -0.01 0.84 0.09 0.00 0.56 0.00 0.00 179.97 181.46 3ek6 h ALA 150 N 1.01 0.51 -0.34 0.04 0.00 -0.93 -0.67 119.26 118.88 3ek6 h ALA 150 Ca 0.17 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3ek6 h ALA 150 Cb 0.36 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ek6 h ALA 150 CO 0.00 -0.31 0.01 0.82 0.00 0.00 0.00 179.25 179.77 3ek6 h ILE 151 N 0.22 1.26 -0.76 0.00 2.04 -1.02 0.95 117.51 120.21 3ek6 h ILE 151 Ca 0.23 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 3ek6 h ILE 151 Cb 0.29 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3ek6 h ILE 151 CO -0.30 0.31 0.36 -0.33 0.00 0.00 0.00 178.15 178.19 3ek6 h GLU 152 N 0.40 1.08 -0.00 2.37 5.08 -0.72 -1.44 114.58 121.34 3ek6 h GLU 152 Ca 0.10 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3ek6 h GLU 152 Cb 0.44 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3ek6 h GLU 152 CO 0.02 0.83 -0.09 0.44 -1.00 0.00 0.00 179.01 179.21 3ek6 n ILE 153 N -4.32 0.00 -3.13 3.13 -5.35 -0.29 -4.95 119.36 104.46 3ek6 n ILE 153 Ca 0.07 -0.07 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 3ek6 n ILE 153 Cb 0.14 -0.09 0.05 0.00 -1.74 0.00 0.00 39.64 38.00 3ek6 n ILE 153 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ek6 n GLY 154 N 1.25 0.06 3.76 3.28 0.00 -0.54 -4.98 105.19 108.02 3ek6 n GLY 154 Ca 0.16 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3ek6 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 s ALA 155 N -3.18 3.20 -0.64 4.61 0.00 0.25 -4.87 121.76 121.13 3ek6 s ALA 155 Ca 0.34 1.48 0.25 0.00 0.00 0.00 0.00 51.96 54.03 3ek6 s ALA 155 Cb -0.15 -3.60 0.54 0.00 0.00 0.00 0.00 23.12 19.91 3ek6 s ALA 155 CO 0.42 -1.25 1.55 -0.44 0.00 0.00 0.00 175.76 176.04 3ek6 h ASP 156 N 2.21 0.00 -3.53 0.00 3.32 -0.01 -3.47 116.42 114.94 3ek6 h ASP 156 Ca -0.51 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.40 3ek6 h ASP 156 Cb 1.27 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.59 3ek6 h ASP 156 CO 0.61 0.04 -0.07 -0.22 -1.72 0.00 0.00 179.24 177.88 3ek6 s LEU 157 N -4.64 -0.41 -0.19 1.55 0.20 -1.20 -4.52 118.68 109.47 3ek6 s LEU 157 Ca 0.08 1.22 -0.05 0.00 0.69 0.00 0.00 54.13 56.07 3ek6 s LEU 157 Cb 0.12 1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 47.83 3ek6 s LEU 157 CO 0.66 -0.21 -0.00 -0.22 -0.29 0.00 0.00 176.35 176.29 3ek6 s LEU 158 N 0.92 3.28 -0.11 -0.68 0.20 -0.34 -1.84 118.68 120.11 3ek6 s LEU 158 Ca -0.05 -0.18 0.01 0.00 0.69 0.00 0.00 54.13 54.60 3ek6 s LEU 158 Cb -0.05 -1.83 -0.01 0.00 -0.43 0.00 0.00 46.19 43.87 3ek6 s LEU 158 CO -0.08 0.08 -0.16 -0.76 -0.29 0.00 0.00 176.35 175.14 3ek6 s LEU 159 N 0.91 2.57 -0.24 -0.68 1.02 -0.41 -0.95 118.68 120.89 3ek6 s LEU 159 Ca 0.01 -0.36 0.01 0.00 0.02 0.00 0.00 54.13 53.80 3ek6 s LEU 159 Cb -0.14 -1.55 0.04 0.00 0.02 0.00 0.00 46.19 44.55 3ek6 s LEU 159 CO 0.02 0.19 -0.10 -0.75 0.02 0.00 0.00 176.35 175.73 3ek6 s LYS 160 N 0.19 2.61 -0.23 1.70 2.20 0.46 -0.62 119.74 126.06 3ek6 s LYS 160 Ca -0.09 -1.11 -0.20 0.00 -0.36 0.00 0.00 55.97 54.21 3ek6 s LYS 160 Cb -0.16 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 3ek6 s LYS 160 CO 0.06 -0.44 0.60 0.00 -0.36 0.00 0.00 175.35 175.20 3ek6 s ALA 161 N 1.23 3.58 0.27 3.13 0.00 -0.63 -2.16 121.76 127.18 3ek6 s ALA 161 Ca -0.03 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 51.60 3ek6 s ALA 161 Cb -0.17 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 3ek6 s ALA 161 CO -0.06 -0.68 -0.06 0.95 0.00 0.00 0.00 175.76 175.91 3ek6 s THR 162 N 2.19 1.63 0.12 0.00 -4.23 0.07 -4.36 115.64 111.06 3ek6 s THR 162 Ca 0.26 -2.13 -0.20 0.00 -1.18 0.00 0.00 61.69 58.44 3ek6 s THR 162 Cb -0.16 -2.43 -0.07 0.00 1.34 0.00 0.00 72.50 71.19 3ek6 s THR 162 CO 0.09 -0.31 1.74 0.11 -0.54 0.00 0.00 174.62 175.71 3ek6 h LYS 163 N 2.30 0.11 -6.63 3.99 1.57 -1.96 -3.35 116.57 112.59 3ek6 h LYS 163 Ca -0.40 -0.01 -0.51 0.00 -1.87 0.00 0.00 60.65 57.86 3ek6 h LYS 163 Cb 1.23 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3ek6 h LYS 163 CO 0.67 0.07 0.42 0.08 -0.57 0.00 0.00 179.45 180.12 3ek6 s VAL 164 N -6.18 4.12 -1.37 0.50 1.01 -1.26 -4.79 120.40 112.42 3ek6 s VAL 164 Ca -0.13 1.82 -0.14 0.00 0.00 0.00 0.00 61.98 63.53 3ek6 s VAL 164 Cb 0.09 -4.16 0.08 0.00 0.00 0.00 0.00 36.38 32.38 3ek6 s VAL 164 CO 0.68 0.31 2.00 -0.67 0.00 0.00 0.00 175.10 177.42 3ek6 n ASP 165 N 2.45 4.44 0.00 3.32 2.03 -1.26 -3.92 116.55 123.62 3ek6 n ASP 165 Ca 0.02 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.41 3ek6 n ASP 165 Cb 0.47 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 3ek6 n ASP 165 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ek6 n GLY 166 N 4.12 -0.52 3.62 0.27 0.00 -1.24 -4.28 105.19 107.16 3ek6 n GLY 166 Ca 0.48 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3ek6 n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek6 s VAL 167 N -0.65 5.30 0.02 1.61 1.01 -1.26 -4.88 120.40 121.56 3ek6 s VAL 167 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.26 3ek6 s VAL 167 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3ek6 s VAL 167 CO 0.00 0.27 -0.01 -0.31 0.00 0.00 0.00 175.10 175.05 3ek6 s TYR 168 N 1.52 3.03 -1.09 5.22 1.51 -1.26 -1.10 117.35 125.19 3ek6 s TYR 168 Ca 0.09 0.04 -0.04 0.00 -1.01 0.00 0.00 57.07 56.15 3ek6 s TYR 168 Cb -0.15 -1.64 0.14 0.00 -0.11 0.00 0.00 41.96 40.20 3ek6 s TYR 168 CO 0.08 0.45 2.39 -3.47 -1.11 0.00 0.00 175.55 173.90 3ek6 n ASP 169 N 1.26 7.62 0.00 2.29 4.64 0.10 -4.48 116.55 127.98 3ek6 n ASP 169 Ca -0.14 -3.24 0.00 0.00 -1.38 0.00 0.00 54.79 50.03 3ek6 n ASP 169 Cb 0.52 -1.30 0.00 0.00 -1.04 0.00 0.00 41.12 39.30 3ek6 n ASP 169 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3ek6 n LYS 170 N 1.25 0.00 0.00 -0.67 5.02 -1.26 -4.39 118.16 118.12 3ek6 n LYS 170 Ca 0.58 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 3ek6 n LYS 170 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 3ek6 n LYS 170 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3ek6 n ASP 171 N 0.00 0.00 0.00 4.39 5.75 -1.26 -5.04 116.55 120.39 3ek6 n ASP 171 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.84 3ek6 n ASP 171 Cb 0.00 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.36 3ek6 n ASP 171 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 3ek6 n PRO 172 N 0.00 0.00 0.01 0.11 -0.04 -1.26 -2.85 135.00 130.97 3ek6 n PRO 172 Ca 0.00 0.29 -0.17 0.00 -0.04 0.00 0.00 63.50 63.58 3ek6 n PRO 172 Cb 0.00 -1.51 -0.14 0.00 -0.04 0.00 0.00 33.50 31.81 3ek6 n PRO 172 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3ek6 h LYS 173 N 0.00 0.19 -1.57 0.54 2.10 -1.99 -3.39 116.57 112.45 3ek6 h LYS 173 Ca 0.00 -0.32 -0.55 0.00 -2.00 0.00 0.00 60.65 57.78 3ek6 h LYS 173 Cb 0.22 0.12 -0.42 0.00 -0.90 0.00 0.00 32.23 31.25 3ek6 h LYS 173 CO 0.00 0.98 -0.81 1.17 -2.00 0.00 0.00 179.45 178.80 3ek6 n LYS 174 N -3.35 2.95 0.00 0.07 4.81 -1.13 -5.00 118.16 116.51 3ek6 n LYS 174 Ca -0.24 -4.33 0.00 0.00 -0.87 0.00 0.00 58.31 52.87 3ek6 n LYS 174 Cb 1.05 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 34.03 3ek6 n LYS 174 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3ek6 n HIS 175 N -0.35 0.00 -0.06 5.64 8.25 -1.19 -4.95 115.22 122.56 3ek6 n HIS 175 Ca 0.33 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.75 3ek6 n HIS 175 Cb 0.64 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 3ek6 n HIS 175 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3ek6 h SER 176 N 0.00 0.00 -1.44 0.41 0.02 -1.88 -3.39 113.55 107.27 3ek6 h SER 176 Ca 0.00 -0.15 -0.62 0.00 -0.84 0.00 0.00 61.79 60.17 3ek6 h SER 176 Cb 0.00 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.31 3ek6 h SER 176 CO 0.00 0.67 0.73 -0.67 -1.14 0.00 0.00 176.83 176.43 3ek6 n ASP 177 N -4.70 7.05 -4.74 3.07 -0.08 -1.26 -4.95 116.55 110.94 3ek6 n ASP 177 Ca -0.05 -3.53 -0.41 0.00 -1.51 0.00 0.00 54.79 49.29 3ek6 n ASP 177 Cb 0.16 -1.13 -0.03 0.00 2.34 0.00 0.00 41.12 42.45 3ek6 n ASP 177 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ek6 s ALA 178 N -2.95 3.47 -0.14 -1.67 0.00 -1.26 -4.98 121.76 114.23 3ek6 s ALA 178 Ca 0.55 1.00 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 3ek6 s ALA 178 Cb 0.41 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 3ek6 s ALA 178 CO -0.28 -0.44 -0.06 0.08 0.00 0.00 0.00 175.76 175.06 3ek6 s VAL 179 N 0.06 3.71 0.12 0.00 1.01 -1.26 -4.96 120.40 119.08 3ek6 s VAL 179 Ca 0.55 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 3ek6 s VAL 179 Cb -0.34 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 33.37 3ek6 s VAL 179 CO 0.37 0.52 0.68 -0.60 0.00 0.00 0.00 175.10 176.06 3ek6 s ARG 180 N 0.18 4.39 0.14 2.72 3.52 -1.26 0.00 118.95 128.64 3ek6 s ARG 180 Ca -0.03 0.95 -0.20 0.00 -0.13 0.00 0.00 55.73 56.32 3ek6 s ARG 180 Cb -0.14 -3.25 -0.07 0.00 -1.56 0.00 0.00 34.95 29.92 3ek6 s ARG 180 CO 0.03 0.60 0.64 0.71 -0.81 0.00 0.00 175.30 176.47 3ek6 s TYR 181 N -1.10 3.75 -0.10 5.12 1.51 -0.26 -4.95 117.35 121.32 3ek6 s TYR 181 Ca 0.32 1.33 -0.07 0.00 -1.01 0.00 0.00 57.07 57.65 3ek6 s TYR 181 Cb -0.21 -2.56 -0.06 0.00 -0.11 0.00 0.00 41.96 39.02 3ek6 s TYR 181 CO 0.23 0.48 0.20 0.22 -1.11 0.00 0.00 175.55 175.57 3ek6 h ASP 182 N 4.04 -0.02 -3.66 2.29 3.58 -1.90 -3.38 116.42 117.37 3ek6 h ASP 182 Ca -0.49 -0.20 -0.18 0.00 0.42 0.00 0.00 57.03 56.58 3ek6 h ASP 182 Cb 1.20 0.01 -0.27 0.00 1.72 0.00 0.00 39.33 41.99 3ek6 h ASP 182 CO 0.65 0.57 -0.47 -0.94 -2.88 0.00 0.00 179.24 176.17 3ek6 s SER 183 N -5.65 -0.24 0.05 2.28 1.04 -1.26 -0.90 113.70 109.02 3ek6 s SER 183 Ca -0.04 0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.90 3ek6 s SER 183 Cb -0.01 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 3ek6 s SER 183 CO 0.16 -0.11 -0.12 -0.76 0.98 0.00 0.00 173.24 173.39 3ek6 s LEU 184 N 0.51 2.21 0.53 2.42 1.43 0.17 -4.95 118.68 120.99 3ek6 s LEU 184 Ca -0.03 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.40 3ek6 s LEU 184 Cb -0.05 -0.47 -0.07 0.00 0.03 0.00 0.00 46.19 45.63 3ek6 s LEU 184 CO -0.03 -0.04 1.01 -0.89 0.23 0.00 0.00 176.35 176.62 3ek6 s THR 185 N -1.03 4.27 0.24 5.49 2.01 -1.25 -0.67 115.64 124.70 3ek6 s THR 185 Ca -0.02 1.14 -0.04 0.00 0.31 0.00 0.00 61.69 63.08 3ek6 s THR 185 Cb -0.09 -3.60 0.21 0.00 0.01 0.00 0.00 72.50 69.03 3ek6 s THR 185 CO 0.01 -0.57 1.78 1.88 -0.69 0.00 0.00 174.62 177.03 3ek6 h TYR 186 N 0.92 0.73 -0.49 4.92 -1.99 -1.30 -2.36 116.97 117.41 3ek6 h TYR 186 Ca -0.47 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.20 3ek6 h TYR 186 Cb 1.20 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.70 3ek6 h TYR 186 CO 0.62 0.24 -0.05 -0.44 -0.00 0.00 0.00 178.16 178.53 3ek6 h ASP 187 N 0.66 0.82 -0.97 3.88 3.32 -1.91 -2.77 116.42 119.44 3ek6 h ASP 187 Ca 0.40 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3ek6 h ASP 187 Cb 0.46 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 3ek6 h ASP 187 CO -0.29 0.91 0.64 -0.33 -1.72 0.00 0.00 179.24 178.45 3ek6 h GLU 188 N 0.77 1.28 -0.03 3.56 5.08 -1.75 0.02 114.58 123.51 3ek6 h GLU 188 Ca 0.14 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3ek6 h GLU 188 Cb 0.53 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3ek6 h GLU 188 CO 0.03 0.85 -0.20 0.28 -1.00 0.00 0.00 179.01 178.97 3ek6 h VAL 189 N 1.32 0.52 -0.05 3.13 2.07 -1.16 -1.39 116.25 120.69 3ek6 h VAL 189 Ca 0.36 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.87 3ek6 h VAL 189 Cb -0.15 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3ek6 h VAL 189 CO -0.08 0.00 0.01 0.40 0.02 0.00 0.00 177.57 177.93 3ek6 h ILE 190 N -0.30 1.18 -0.76 4.57 2.04 -1.40 0.59 117.51 123.43 3ek6 h ILE 190 Ca 0.07 -0.54 0.09 0.00 1.00 0.00 0.00 64.86 65.47 3ek6 h ILE 190 Cb 0.39 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3ek6 h ILE 190 CO -0.21 0.15 0.50 0.24 0.00 0.00 0.00 178.15 178.83 3ek6 h MET 191 N -0.13 0.68 -0.50 2.37 2.86 -0.87 0.72 114.93 120.07 3ek6 h MET 191 Ca 0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3ek6 h MET 191 Cb 0.23 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3ek6 h MET 191 CO -0.00 0.45 0.00 1.04 1.06 0.00 0.00 176.91 179.46 3ek6 n GLN 192 N -4.50 2.22 -2.03 1.72 6.02 -0.54 -4.91 117.38 115.37 3ek6 n GLN 192 Ca 0.12 -1.48 -0.19 0.00 -0.01 0.00 0.00 57.00 55.44 3ek6 n GLN 192 Cb 0.31 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 30.06 3ek6 n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ek6 n GLY 193 N 0.92 0.51 3.75 1.08 0.00 0.25 -4.95 105.19 106.74 3ek6 n GLY 193 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3ek6 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ek6 s LEU 194 N -5.31 4.58 -0.81 0.99 1.43 0.18 -5.00 118.68 114.75 3ek6 s LEU 194 Ca 0.00 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 55.02 3ek6 s LEU 194 Cb 0.00 -3.61 0.21 0.00 0.03 0.00 0.00 46.19 42.82 3ek6 s LEU 194 CO 0.00 -0.01 0.74 -1.61 0.23 0.00 0.00 176.35 175.69 3ek6 s GLU 195 N -1.00 3.50 -0.14 1.70 0.41 -1.26 -4.65 118.70 117.26 3ek6 s GLU 195 Ca 0.44 -2.48 0.08 0.00 -0.41 0.00 0.00 54.97 52.59 3ek6 s GLU 195 Cb -0.28 -4.35 -0.14 0.00 -1.78 0.00 0.00 34.13 27.58 3ek6 s GLU 195 CO 0.35 -1.28 -0.02 0.28 -0.49 0.00 0.00 175.26 174.10 3ek6 n VAL 196 N 3.90 0.91 -3.61 2.63 0.31 -1.26 -5.06 118.33 116.14 3ek6 n VAL 196 Ca 0.13 -0.48 -0.07 0.00 -0.01 0.00 0.00 64.34 63.92 3ek6 n VAL 196 Cb 0.46 -0.81 -0.05 0.00 -0.91 0.00 0.00 33.84 32.53 3ek6 n VAL 196 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3ek6 s MET 197 N -2.32 0.34 0.58 5.55 -2.45 -1.26 -5.12 119.30 114.62 3ek6 s MET 197 Ca -0.12 0.13 -0.20 0.00 -1.25 0.00 0.00 55.69 54.25 3ek6 s MET 197 Cb 0.05 0.16 -0.04 0.00 1.25 0.00 0.00 34.83 36.25 3ek6 s MET 197 CO 0.47 -0.10 1.27 0.16 1.05 0.00 0.00 175.02 177.88 3ek6 s ASP 198 N -0.85 5.15 0.23 1.11 1.47 -1.26 -4.66 116.67 117.86 3ek6 s ASP 198 Ca 0.03 2.55 -0.12 0.00 1.18 0.00 0.00 52.55 56.19 3ek6 s ASP 198 Cb -0.01 -2.61 0.29 0.00 -0.34 0.00 0.00 42.92 40.25 3ek6 s ASP 198 CO -0.04 -1.63 1.60 0.74 0.68 0.00 0.00 175.17 176.52 3ek6 h THR 199 N 1.05 0.25 -0.27 2.11 2.02 -2.01 -0.20 112.91 115.87 3ek6 h THR 199 Ca -0.51 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3ek6 h THR 199 Cb 1.30 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3ek6 h THR 199 CO 0.56 0.00 0.08 0.00 0.37 0.00 0.00 175.52 176.53 3ek6 h ALA 200 N 1.70 0.35 -0.55 6.16 0.00 -1.99 -1.40 119.26 123.53 3ek6 h ALA 200 Ca 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ek6 h ALA 200 Cb 0.54 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3ek6 h ALA 200 CO -0.76 -0.02 0.31 0.00 0.00 0.00 0.00 179.25 178.77 3ek6 h ALA 201 N 0.92 0.70 -0.76 0.00 0.00 -1.70 -1.58 119.26 116.83 3ek6 h ALA 201 Ca 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ek6 h ALA 201 Cb 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3ek6 h ALA 201 CO -0.00 0.21 0.50 0.35 0.00 0.00 0.00 179.25 180.31 3ek6 h PHE 202 N 0.74 0.97 -0.58 0.00 3.57 -0.93 -0.41 116.94 120.29 3ek6 h PHE 202 Ca 0.19 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 3ek6 h PHE 202 Cb 0.03 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 3ek6 h PHE 202 CO -0.02 0.61 0.00 0.00 -2.23 0.00 0.00 178.31 176.68 3ek6 h ALA 203 N 1.28 0.79 0.51 2.41 0.00 -1.07 -0.10 119.26 123.07 3ek6 h ALA 203 Ca 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3ek6 h ALA 203 Cb -0.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3ek6 h ALA 203 CO -0.06 0.62 -0.24 1.25 0.00 0.00 0.00 179.25 180.82 3ek6 h LEU 204 N 0.92 -0.58 -0.75 0.00 6.46 -0.77 -0.16 115.31 120.42 3ek6 h LEU 204 Ca 0.17 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 58.06 3ek6 h LEU 204 Cb 0.55 0.15 -0.08 0.00 -0.73 0.00 0.00 40.66 40.55 3ek6 h LEU 204 CO 0.03 -0.40 0.35 0.00 -0.62 0.00 0.00 178.44 177.80 3ek6 h ALA 205 N -0.21 1.07 0.16 1.25 0.00 -1.00 -2.35 119.26 118.17 3ek6 h ALA 205 Ca -0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ek6 h ALA 205 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ek6 h ALA 205 CO 0.11 -0.11 -0.08 -0.09 0.00 0.00 0.00 179.25 179.09 3ek6 h ARG 206 N 0.55 -0.20 0.00 0.00 2.43 -0.84 -2.26 114.38 114.06 3ek6 h ARG 206 Ca 0.39 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.56 3ek6 h ARG 206 Cb 0.51 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3ek6 h ARG 206 CO -0.33 0.00 -0.08 -0.44 -1.51 0.00 0.00 179.97 177.61 3ek6 h ASP 207 N -0.38 0.00 -0.37 -3.80 3.32 -0.83 -2.09 116.42 112.26 3ek6 h ASP 207 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ek6 h ASP 207 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3ek6 h ASP 207 CO 0.04 0.08 0.00 -1.20 -1.72 0.00 0.00 179.24 176.43 3ek6 n SER 208 N -3.62 2.70 -3.36 6.45 7.64 -0.90 -4.96 113.62 117.55 3ek6 n SER 208 Ca -0.02 -1.91 -0.20 0.00 1.01 0.00 0.00 58.87 57.75 3ek6 n SER 208 Cb 0.19 -0.24 0.08 0.00 -1.01 0.00 0.00 64.21 63.23 3ek6 n SER 208 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3ek6 n ASP 209 N 0.98 -4.20 -4.44 6.43 4.64 -0.79 -4.97 116.55 114.20 3ek6 n ASP 209 Ca 0.18 -0.55 -0.38 0.00 -1.38 0.00 0.00 54.79 52.66 3ek6 n ASP 209 Cb 0.47 -4.83 -0.12 0.00 -1.04 0.00 0.00 41.12 35.60 3ek6 n ASP 209 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3ek6 s LEU 210 N -6.56 3.89 0.35 -2.67 0.20 -0.87 -5.05 118.68 107.98 3ek6 s LEU 210 Ca 0.29 -0.41 -0.28 0.00 0.69 0.00 0.00 54.13 54.41 3ek6 s LEU 210 Cb -0.13 -1.98 -0.10 0.00 -0.43 0.00 0.00 46.19 43.55 3ek6 s LEU 210 CO 0.69 -0.14 1.36 -2.84 -0.29 0.00 0.00 176.35 175.13 3ek6 s PRO 211 N 1.61 4.26 -0.13 0.98 0.02 -1.26 -4.77 135.00 135.72 3ek6 s PRO 211 Ca 0.05 2.32 -0.00 0.00 0.02 0.00 0.00 61.00 63.39 3ek6 s PRO 211 Cb -0.16 -3.02 0.03 0.00 0.02 0.00 0.00 34.50 31.36 3ek6 s PRO 211 CO 0.05 -0.31 -0.09 -1.17 -0.33 0.00 0.00 177.00 175.16 3ek6 s LEU 212 N -1.92 1.33 -0.30 -5.54 2.96 -0.05 -1.20 118.68 113.97 3ek6 s LEU 212 Ca 0.50 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.98 3ek6 s LEU 212 Cb -0.42 -0.92 0.01 0.00 0.50 0.00 0.00 46.19 45.36 3ek6 s LEU 212 CO 0.56 -0.11 0.07 -0.60 -1.32 0.00 0.00 176.35 174.95 3ek6 s ARG 213 N 1.65 3.03 -0.21 1.98 3.52 -0.13 0.70 118.95 129.50 3ek6 s ARG 213 Ca 0.05 -0.89 -0.10 0.00 -0.13 0.00 0.00 55.73 54.65 3ek6 s ARG 213 Cb -0.13 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 3ek6 s ARG 213 CO -0.09 -0.46 0.14 0.42 -0.81 0.00 0.00 175.30 174.50 3ek6 s ILE 214 N 1.48 5.39 0.19 4.11 1.09 -0.20 -0.40 121.20 132.86 3ek6 s ILE 214 Ca 0.02 0.19 -0.24 0.00 -1.10 0.00 0.00 60.65 59.53 3ek6 s ILE 214 Cb -0.17 -3.48 0.05 0.00 -1.06 0.00 0.00 42.46 37.80 3ek6 s ILE 214 CO 0.02 0.41 0.81 0.72 -0.10 0.00 0.00 174.94 176.80 3ek6 s PHE 215 N 0.57 -0.23 -0.09 3.97 -0.12 -0.92 -0.31 117.98 120.85 3ek6 s PHE 215 Ca 0.08 -0.11 -0.04 0.00 -0.05 0.00 0.00 56.93 56.81 3ek6 s PHE 215 Cb -0.12 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 3ek6 s PHE 215 CO 0.00 -0.96 0.07 0.20 -0.05 0.00 0.00 175.22 174.48 3ek6 s GLY 216 N -2.86 2.01 -1.31 1.99 0.00 -1.25 -0.75 107.32 105.14 3ek6 s GLY 216 Ca 0.10 -0.74 -0.14 0.00 0.00 0.00 0.00 44.72 43.94 3ek6 s GLY 216 CO 0.01 -0.51 1.80 1.03 0.00 0.00 0.00 173.10 175.44 3ek6 n MET 217 N 1.95 3.27 0.13 2.90 2.81 -1.26 -4.78 117.12 122.13 3ek6 n MET 217 Ca -0.18 -3.34 0.12 0.00 -1.81 0.00 0.00 57.70 52.48 3ek6 n MET 217 Cb 0.54 -3.18 0.07 0.00 -0.71 0.00 0.00 33.22 29.93 3ek6 n MET 217 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3ek6 h SER 218 N 6.63 0.00 -4.97 7.83 4.64 -1.95 -3.48 113.55 122.25 3ek6 h SER 218 Ca 0.43 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.79 3ek6 h SER 218 Cb 0.76 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.74 3ek6 h SER 218 CO 1.54 0.01 0.33 -1.83 -0.87 0.00 0.00 176.83 176.01 3ek6 s GLU 219 N -3.30 1.27 0.47 4.77 -1.05 -1.26 -5.15 118.70 114.45 3ek6 s GLU 219 Ca 0.02 -0.58 -0.24 0.00 -0.15 0.00 0.00 54.97 54.02 3ek6 s GLU 219 Cb 0.09 0.51 -0.07 0.00 -0.44 0.00 0.00 34.13 34.22 3ek6 s GLU 219 CO 0.75 -0.57 1.34 -2.14 0.95 0.00 0.00 175.26 175.59 3ek6 s PRO 220 N -3.56 3.60 0.00 -4.83 0.02 -1.26 -3.38 135.00 125.59 3ek6 s PRO 220 Ca 0.06 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3ek6 s PRO 220 Cb -0.02 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.97 3ek6 s PRO 220 CO -0.05 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 3ek6 n GLY 221 N 0.63 0.77 0.20 0.52 0.00 -1.26 -4.95 105.19 101.10 3ek6 n GLY 221 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3ek6 n GLY 221 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ek6 h VAL 222 N 0.00 1.20 -0.57 1.61 2.07 -1.97 -1.65 116.25 116.94 3ek6 h VAL 222 Ca 0.00 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3ek6 h VAL 222 Cb 0.00 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3ek6 h VAL 222 CO 0.00 0.23 0.36 0.25 0.02 0.00 0.00 177.57 178.44 3ek6 h LEU 223 N 0.53 0.61 -0.48 2.57 5.85 -1.92 -0.95 115.31 121.52 3ek6 h LEU 223 Ca 0.14 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3ek6 h LEU 223 Cb 0.21 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3ek6 h LEU 223 CO -0.01 0.44 0.10 0.25 -0.34 0.00 0.00 178.44 178.87 3ek6 h LEU 224 N 0.73 0.75 -0.49 2.25 6.46 -1.86 -0.90 115.31 122.26 3ek6 h LEU 224 Ca 0.22 -0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.77 3ek6 h LEU 224 Cb -0.04 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.65 3ek6 h LEU 224 CO -0.07 0.81 0.25 0.03 -0.62 0.00 0.00 178.44 178.84 3ek6 h ARG 225 N 0.67 0.47 -0.74 1.25 3.08 -0.86 -1.73 114.38 116.52 3ek6 h ARG 225 Ca 0.15 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.22 3ek6 h ARG 225 Cb 0.36 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 3ek6 h ARG 225 CO 0.01 0.31 0.45 0.82 -1.07 0.00 0.00 179.97 180.49 3ek6 h ILE 226 N 0.49 1.05 -0.06 2.04 2.04 -0.83 0.81 117.51 123.04 3ek6 h ILE 226 Ca 0.21 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3ek6 h ILE 226 Cb 0.12 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3ek6 h ILE 226 CO -0.15 0.15 0.05 -0.07 0.00 0.00 0.00 178.15 178.14 3ek6 h LEU 227 N 0.84 0.00 -2.58 1.44 3.38 -0.52 -0.20 115.31 117.68 3ek6 h LEU 227 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3ek6 h LEU 227 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ek6 h LEU 227 CO -0.15 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.79 3ek6 n HIS 228 N -4.16 1.30 -0.52 1.13 8.25 0.20 -0.07 115.22 121.34 3ek6 n HIS 228 Ca -0.02 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 3ek6 n HIS 228 Cb 0.15 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3ek6 n HIS 228 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ek6 n GLY 229 N 0.52 0.75 3.75 -1.41 0.00 -0.09 -4.77 105.19 103.94 3ek6 n GLY 229 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3ek6 n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 s ALA 230 N -2.40 2.76 -1.12 4.61 0.00 -0.73 -4.94 121.76 119.94 3ek6 s ALA 230 Ca 0.00 1.16 -0.08 0.00 0.00 0.00 0.00 51.96 53.04 3ek6 s ALA 230 Cb 0.00 -3.50 0.28 0.00 0.00 0.00 0.00 23.12 19.90 3ek6 s ALA 230 CO 0.00 -1.17 1.21 1.04 0.00 0.00 0.00 175.76 176.84 3ek6 n GLN 231 N -1.08 3.74 -4.29 0.00 1.13 -1.26 -4.58 117.38 111.03 3ek6 n GLN 231 Ca 0.11 -4.45 -0.34 0.00 -1.94 0.00 0.00 57.00 50.37 3ek6 n GLN 231 Cb 0.47 -2.56 -0.11 0.00 0.11 0.00 0.00 30.24 28.15 3ek6 n GLN 231 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ek6 s ILE 232 N -1.50 4.23 0.00 5.09 1.01 -1.26 -4.95 121.20 123.82 3ek6 s ILE 232 Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3ek6 s ILE 232 Cb -0.07 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.56 3ek6 s ILE 232 CO -0.04 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3ek6 n GLY 233 N 3.17 1.64 3.03 6.18 0.00 -1.26 -4.74 105.19 113.20 3ek6 n GLY 233 Ca -0.17 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 3ek6 n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ek6 s THR 234 N 0.00 0.93 -0.24 2.61 2.01 0.57 -4.65 115.64 116.87 3ek6 s THR 234 Ca 0.00 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 3ek6 s THR 234 Cb 0.00 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 3ek6 s THR 234 CO 0.00 0.28 0.19 -0.22 -0.69 0.00 0.00 174.62 174.19 3ek6 s LEU 235 N 0.16 4.12 -0.27 4.42 1.98 -0.08 -1.03 118.68 127.99 3ek6 s LEU 235 Ca -0.03 0.16 -0.09 0.00 -2.89 0.00 0.00 54.13 51.28 3ek6 s LEU 235 Cb -0.09 -2.16 -0.04 0.00 0.66 0.00 0.00 46.19 44.56 3ek6 s LEU 235 CO 0.01 0.05 0.13 -0.69 -1.89 0.00 0.00 176.35 173.95 3ek6 s VAL 236 N 1.09 4.77 -0.14 1.68 1.01 0.22 0.43 120.40 129.46 3ek6 s VAL 236 Ca 0.09 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 3ek6 s VAL 236 Cb -0.14 -3.26 0.06 0.00 0.00 0.00 0.00 36.38 33.04 3ek6 s VAL 236 CO 0.05 0.28 0.62 -1.58 0.00 0.00 0.00 175.10 174.47 3ek6 s GLN 237 N 1.68 0.87 0.70 2.72 0.74 0.16 -0.87 119.66 125.65 3ek6 s GLN 237 Ca 0.07 0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.99 3ek6 s GLN 237 Cb -0.16 0.41 0.00 0.00 1.10 0.00 0.00 33.01 34.37 3ek6 s GLN 237 CO 0.07 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 3ek6 n GLY 238 N 1.83 -1.93 3.38 2.59 0.00 -1.26 -3.92 105.19 105.88 3ek6 n GLY 238 Ca -0.17 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.31 3ek6 n GLY 238 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ek6 s ARG 239 N -0.76 1.63 0.00 1.61 1.70 -1.26 -1.15 118.95 120.72 3ek6 s ARG 239 Ca 0.00 -1.94 0.00 0.00 -0.47 0.00 0.00 55.73 53.32 3ek6 s ARG 239 Cb 0.00 -0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.05 3ek6 s ARG 239 CO 0.00 -0.39 0.00 0.43 -1.08 0.00 0.00 175.30 174.26