#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ck6 n PHE 3 N 0.00 2.36 0.00 1.61 -1.74 -1.26 -4.92 117.46 113.51 3ck6 n PHE 3 Ca 0.00 -2.54 0.00 0.00 -0.56 0.00 0.00 57.45 54.35 3ck6 n PHE 3 Cb 0.00 -2.16 0.00 0.00 1.52 0.00 0.00 39.48 38.84 3ck6 n PHE 3 CO 0.00 0.00 0.00 -0.89 -0.56 0.00 0.00 176.76 175.31 3ck6 n ILE 5 N 4.63 0.00 -3.57 1.97 5.41 0.14 -0.37 119.36 127.56 3ck6 n ILE 5 Ca 0.57 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 64.19 3ck6 n ILE 5 Cb 0.28 -0.16 -0.05 0.00 -0.71 0.00 0.00 39.64 39.00 3ck6 n ILE 5 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3ck6 s GLU 6 N -1.74 1.04 -0.07 0.38 2.12 -0.96 -5.02 118.70 114.46 3ck6 s GLU 6 Ca 0.00 -0.23 -0.03 0.00 0.36 0.00 0.00 54.97 55.07 3ck6 s GLU 6 Cb 0.00 0.48 0.04 0.00 0.26 0.00 0.00 34.13 34.91 3ck6 s GLU 6 CO 0.00 -0.38 0.13 -1.58 -0.54 0.00 0.00 175.26 172.89 3ck6 s HIS 7 N -2.46 -0.11 0.09 5.30 5.65 -1.26 -1.09 115.29 121.41 3ck6 s HIS 7 Ca -0.05 0.50 0.09 0.00 0.25 0.00 0.00 55.06 55.85 3ck6 s HIS 7 Cb -0.01 -0.30 -0.03 0.00 -1.18 0.00 0.00 32.58 31.06 3ck6 s HIS 7 CO -0.02 -0.24 -0.24 -1.58 -0.65 0.00 0.00 174.74 172.02 3ck6 s TRP 8 N 2.12 2.04 -0.25 3.88 0.52 -0.14 -0.55 118.94 126.57 3ck6 s TRP 8 Ca 0.02 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 55.69 3ck6 s TRP 8 Cb -0.12 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.04 3ck6 s TRP 8 CO -0.05 0.21 0.02 0.34 0.02 0.00 0.00 176.95 177.49 3ck6 s ASP 9 N -1.71 4.76 -0.30 2.95 -1.08 0.04 -0.18 116.67 121.14 3ck6 s ASP 9 Ca 0.10 -0.41 0.10 0.00 -0.52 0.00 0.00 52.55 51.82 3ck6 s ASP 9 Cb -0.10 -1.83 0.65 0.00 -1.46 0.00 0.00 42.92 40.18 3ck6 s ASP 9 CO 0.04 -0.06 1.67 0.49 0.52 0.00 0.00 175.17 177.83 3ck6 n PHE 10 N 4.85 1.94 0.01 -5.34 3.01 0.15 -2.35 117.46 119.73 3ck6 n PHE 10 Ca -0.17 -1.30 0.01 0.00 1.01 0.00 0.00 57.45 57.01 3ck6 n PHE 10 Cb 0.50 -0.60 0.34 0.00 -0.01 0.00 0.00 39.48 39.71 3ck6 n PHE 10 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3ck6 h SER 11 N 1.95 0.46 -1.78 4.37 0.02 -1.89 -3.43 113.55 113.24 3ck6 h SER 11 Ca 0.25 -0.07 -0.58 0.00 -0.84 0.00 0.00 61.79 60.55 3ck6 h SER 11 Cb 2.08 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 64.40 3ck6 h SER 11 CO 0.61 0.48 -0.57 0.42 -1.14 0.00 0.00 176.83 176.63 3ck6 s THR 12 N -5.09 2.47 -1.22 -2.27 -4.23 -1.26 -5.15 115.64 98.89 3ck6 s THR 12 Ca -0.08 -1.87 -0.10 0.00 -1.18 0.00 0.00 61.69 58.46 3ck6 s THR 12 Cb 0.16 -2.90 -0.07 0.00 1.34 0.00 0.00 72.50 71.04 3ck6 s THR 12 CO 0.75 -0.11 2.40 -2.65 -0.54 0.00 0.00 174.62 174.47 3ck6 n PRO 13 N -1.06 2.68 -3.70 3.99 -0.02 -1.26 -4.82 135.00 130.81 3ck6 n PRO 13 Ca -0.03 -1.92 -0.12 0.00 -2.02 0.00 0.00 63.50 59.40 3ck6 n PRO 13 Cb 0.64 -2.75 -0.09 0.00 -0.02 0.00 0.00 33.50 31.27 3ck6 n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ck6 s ALA 15 N 3.15 -1.23 -0.07 3.55 0.00 -1.26 -4.52 121.76 121.39 3ck6 s ALA 15 Ca 0.53 1.52 0.02 0.00 0.00 0.00 0.00 51.96 54.03 3ck6 s ALA 15 Cb 0.14 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3ck6 s ALA 15 CO -0.03 -0.25 -0.10 -0.08 0.00 0.00 0.00 175.76 175.30 3ck6 s THR 16 N 0.68 3.44 0.02 0.00 -1.32 -0.99 -4.91 115.64 112.55 3ck6 s THR 16 Ca -0.03 -0.58 -0.30 0.00 -1.21 0.00 0.00 61.69 59.57 3ck6 s THR 16 Cb -0.05 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.51 3ck6 s THR 16 CO -0.05 0.59 1.02 -1.58 -2.21 0.00 0.00 174.62 172.39 3ck6 s GLN 17 N -0.69 4.55 0.41 7.08 0.74 -1.26 -0.78 119.66 129.70 3ck6 s GLN 17 Ca 0.10 1.49 0.07 0.00 0.05 0.00 0.00 55.36 57.07 3ck6 s GLN 17 Cb -0.11 -3.43 -0.08 0.00 1.10 0.00 0.00 33.01 30.49 3ck6 s GLN 17 CO 0.01 -0.06 0.04 -1.21 -0.55 0.00 0.00 175.29 173.52 3ck6 s GLU 18 N 0.91 2.00 0.41 1.67 0.41 0.29 -4.96 118.70 119.43 3ck6 s GLU 18 Ca 0.53 -2.07 -0.26 0.00 -0.41 0.00 0.00 54.97 52.75 3ck6 s GLU 18 Cb -0.23 -1.69 -0.10 0.00 -1.78 0.00 0.00 34.13 30.33 3ck6 s GLU 18 CO 0.28 -0.06 1.39 -2.37 -0.49 0.00 0.00 175.26 174.01 3ck6 n THR 19 N -1.01 2.45 1.72 3.63 5.66 -1.26 -4.38 114.28 121.08 3ck6 n THR 19 Ca -0.05 -0.50 0.14 0.00 -3.05 0.00 0.00 64.05 60.60 3ck6 n THR 19 Cb 0.67 -1.78 0.83 0.00 -1.55 0.00 0.00 70.33 68.49 3ck6 n THR 19 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 3ck6 n THR 20 N 0.01 0.02 -3.26 1.09 5.66 -1.26 -3.86 114.28 112.69 3ck6 n THR 20 Ca 0.04 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.76 3ck6 n THR 20 Cb 0.40 -0.55 -0.06 0.00 -1.55 0.00 0.00 70.33 68.56 3ck6 n THR 20 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3ck6 n THR 21 N -1.05 2.91 -3.56 1.09 -2.24 -1.26 -4.82 114.28 105.34 3ck6 n THR 21 Ca 0.20 -5.39 -0.41 0.00 -2.27 0.00 0.00 64.05 56.18 3ck6 n THR 21 Cb 0.12 -1.93 -0.09 0.00 -2.10 0.00 0.00 70.33 66.33 3ck6 n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ck6 s ALA 22 N -2.79 3.37 0.18 6.98 0.00 -1.25 -4.97 121.76 123.29 3ck6 s ALA 22 Ca 0.41 -2.41 0.18 0.00 0.00 0.00 0.00 51.96 50.14 3ck6 s ALA 22 Cb 0.17 -2.78 0.69 0.00 0.00 0.00 0.00 23.12 21.20 3ck6 s ALA 22 CO -0.03 -1.82 1.74 0.93 0.00 0.00 0.00 175.76 176.57 3ck6 h GLU 23 N 8.45 0.00 -5.63 0.00 5.08 -1.96 -3.43 114.58 117.10 3ck6 h GLU 23 Ca -0.22 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.47 3ck6 h GLU 23 Cb 1.08 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.07 3ck6 h GLU 23 CO 0.83 0.38 -0.77 -1.01 -1.00 0.00 0.00 179.01 177.44 3ck6 s HIS 24 N -3.64 2.78 0.25 4.33 3.76 -1.26 -4.84 115.29 116.66 3ck6 s HIS 24 Ca -0.00 -0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 54.12 3ck6 s HIS 24 Cb 0.11 -1.78 -0.09 0.00 1.11 0.00 0.00 32.58 31.93 3ck6 s HIS 24 CO 0.69 -0.09 1.02 0.96 -0.85 0.00 0.00 174.74 176.47 3ck6 s ILE 25 N 0.02 3.82 -0.01 0.60 -4.36 -1.26 -5.05 121.20 114.95 3ck6 s ILE 25 Ca -0.04 1.80 0.08 0.00 -0.26 0.00 0.00 60.65 62.23 3ck6 s ILE 25 Cb -0.14 -4.15 -0.02 0.00 1.25 0.00 0.00 42.46 39.40 3ck6 s ILE 25 CO 0.04 0.42 -0.25 -1.10 0.24 0.00 0.00 174.94 174.29 3ck6 s GLN 26 N -1.19 2.12 0.35 0.37 -0.21 -1.26 -5.07 119.66 114.77 3ck6 s GLN 26 Ca 0.43 -0.93 -0.26 0.00 0.02 0.00 0.00 55.36 54.63 3ck6 s GLN 26 Cb -0.29 -2.07 -0.12 0.00 1.00 0.00 0.00 33.01 31.53 3ck6 s GLN 26 CO 0.36 0.56 0.97 -0.35 -2.12 0.00 0.00 175.29 174.71 3ck6 n PRO 27 N 2.34 1.29 -1.02 2.91 -0.04 -1.25 -2.63 135.00 136.60 3ck6 n PRO 27 Ca -0.16 0.46 -0.01 0.00 -0.04 0.00 0.00 63.50 63.75 3ck6 n PRO 27 Cb 0.51 -1.90 -0.00 0.00 -0.04 0.00 0.00 33.50 32.07 3ck6 n PRO 27 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ck6 n ASN 28 N 0.94 -3.93 -4.82 3.54 5.03 0.12 -4.86 115.26 111.28 3ck6 n ASN 28 Ca 0.10 0.02 -0.31 0.00 0.87 0.00 0.00 54.58 55.26 3ck6 n ASN 28 Cb 0.36 -1.49 -0.06 0.00 -1.02 0.00 0.00 39.78 37.57 3ck6 n ASN 28 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3ck6 s HIS 29 N -1.74 3.29 -0.14 3.10 3.76 -1.08 0.31 115.29 122.79 3ck6 s HIS 29 Ca 0.00 0.13 -0.01 0.00 -0.15 0.00 0.00 55.06 55.03 3ck6 s HIS 29 Cb 0.00 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 3ck6 s HIS 29 CO 0.00 0.54 -0.12 -0.46 -0.85 0.00 0.00 174.74 173.85 3ck6 s TRP 30 N -1.43 2.84 -0.16 1.40 -0.00 0.74 -1.46 118.94 120.86 3ck6 s TRP 30 Ca 0.31 -0.71 0.02 0.00 -0.00 0.00 0.00 56.10 55.71 3ck6 s TRP 30 Cb -0.12 -1.88 0.01 0.00 -0.00 0.00 0.00 33.47 31.48 3ck6 s TRP 30 CO 0.24 -0.28 -0.21 0.71 -0.00 0.00 0.00 176.95 177.41 3ck6 s TYR 31 N 0.54 2.72 -0.16 5.86 2.02 0.04 -0.96 117.35 127.40 3ck6 s TYR 31 Ca -0.08 -1.49 0.00 0.00 -0.37 0.00 0.00 57.07 55.14 3ck6 s TYR 31 Cb -0.16 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.54 3ck6 s TYR 31 CO 0.04 -0.70 -0.16 -1.58 -1.57 0.00 0.00 175.55 171.58 3ck6 s HIS 32 N 1.03 2.78 0.11 2.71 5.65 -0.25 -0.85 115.29 126.47 3ck6 s HIS 32 Ca -0.02 -1.13 0.04 0.00 0.25 0.00 0.00 55.06 54.20 3ck6 s HIS 32 Cb -0.14 -1.90 -0.04 0.00 -1.18 0.00 0.00 32.58 29.32 3ck6 s HIS 32 CO -0.07 -0.53 -0.10 0.00 -0.65 0.00 0.00 174.74 173.39 3ck6 s GLU 34 N -3.15 3.82 0.37 0.00 0.41 0.50 -1.05 118.70 119.59 3ck6 s GLU 34 Ca 0.09 0.45 0.07 0.00 -0.41 0.00 0.00 54.97 55.17 3ck6 s GLU 34 Cb -0.01 -3.79 0.73 0.00 -1.78 0.00 0.00 34.13 29.28 3ck6 s GLU 34 CO -0.00 -0.86 1.93 -0.09 -0.49 0.00 0.00 175.26 175.75 3ck6 h ARG 35 N 8.42 0.42 -0.00 1.61 2.43 -1.52 -2.93 114.38 122.80 3ck6 h ARG 35 Ca -0.24 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3ck6 h ARG 35 Cb 1.09 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3ck6 h ARG 35 CO 0.93 0.44 -0.13 1.28 -1.51 0.00 0.00 179.97 180.98 3ck6 n LEU 36 N -4.32 0.55 -4.71 3.80 4.77 -1.26 -4.89 117.00 110.94 3ck6 n LEU 36 Ca 0.01 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 3ck6 n LEU 36 Cb 0.21 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3ck6 n LEU 36 CO 0.38 0.10 0.95 -2.28 -1.33 0.00 0.00 177.39 175.21 3ck6 s HIS 37 N -2.49 3.35 0.63 -1.77 2.46 -1.11 -4.91 115.29 111.45 3ck6 s HIS 37 Ca 0.28 1.16 0.44 0.00 0.47 0.00 0.00 55.06 57.41 3ck6 s HIS 37 Cb 0.20 -3.52 2.36 0.00 -0.13 0.00 0.00 32.58 31.49 3ck6 s HIS 37 CO 0.48 -1.69 2.35 -1.00 -2.47 0.00 0.00 174.74 172.41 3ck6 h PRO 38 N 6.85 0.00 0.00 2.88 0.13 -1.91 -2.62 132.00 137.34 3ck6 h PRO 38 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3ck6 h PRO 38 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ck6 h PRO 38 CO 0.83 0.00 -0.23 -0.25 -0.23 0.00 0.00 178.00 178.12 3ck6 n ASP 39 N -3.10 0.25 -0.12 1.44 8.00 -1.26 -4.16 116.55 117.60 3ck6 n ASP 39 Ca -0.03 0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.55 3ck6 n ASP 39 Cb 0.09 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.00 3ck6 n ASP 39 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3ck6 h ILE 40 N 0.00 1.21 -0.29 0.53 2.10 -1.78 -2.65 117.51 116.64 3ck6 h ILE 40 Ca 0.00 -0.71 0.06 0.00 1.08 0.00 0.00 64.86 65.30 3ck6 h ILE 40 Cb 0.51 1.02 -0.06 0.00 -1.09 0.00 0.00 36.82 37.20 3ck6 h ILE 40 CO 0.00 0.24 -0.12 -0.09 -1.08 0.00 0.00 178.15 177.10 3ck6 h ARG 41 N 0.41 -0.07 -0.59 2.19 2.43 -1.80 -0.22 114.38 116.73 3ck6 h ARG 41 Ca 0.11 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3ck6 h ARG 41 Cb 0.27 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 3ck6 h ARG 41 CO -0.00 -0.04 0.33 0.78 -1.51 0.00 0.00 179.97 179.52 3ck6 h GLY 42 N -0.07 0.85 0.97 2.80 0.00 -1.79 0.15 103.07 105.97 3ck6 h GLY 42 Ca 0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3ck6 h GLY 42 CO -0.34 0.16 0.14 -0.25 0.00 0.00 0.00 176.54 176.25 3ck6 h TRP 43 N 0.63 0.78 -0.30 5.60 7.01 -1.07 0.16 115.95 128.77 3ck6 h TRP 43 Ca 0.25 -0.09 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 3ck6 h TRP 43 Cb 0.12 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 3ck6 h TRP 43 CO -0.08 0.70 0.08 -0.07 -2.79 0.00 0.00 178.44 176.28 3ck6 h LEU 44 N 0.64 0.44 -0.42 0.65 3.38 -0.53 -2.16 115.31 117.31 3ck6 h LEU 44 Ca 0.15 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3ck6 h LEU 44 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3ck6 h LEU 44 CO -0.00 0.55 -0.03 -0.33 0.09 0.00 0.00 178.44 178.72 3ck6 h GLU 45 N 0.31 0.77 -0.40 1.13 5.08 -0.59 -1.68 114.58 119.21 3ck6 h GLU 45 Ca 0.09 -0.26 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3ck6 h GLU 45 Cb 0.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3ck6 h GLU 45 CO -0.00 0.86 0.28 -0.44 -1.00 0.00 0.00 179.01 178.71 3ck6 h ASP 46 N 0.60 0.14 -0.30 1.42 3.32 -0.67 0.73 116.42 121.67 3ck6 h ASP 46 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3ck6 h ASP 46 Cb 0.53 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3ck6 h ASP 46 CO 0.03 0.09 0.00 0.59 -1.72 0.00 0.00 179.24 178.23 3ck6 n ASN 47 N -4.46 2.26 -0.66 6.45 3.02 -0.78 -4.91 115.26 116.18 3ck6 n ASN 47 Ca 0.06 -2.16 -0.08 0.00 -0.03 0.00 0.00 54.58 52.37 3ck6 n ASN 47 Cb 0.35 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 3ck6 n ASN 47 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ck6 n HIS 48 N 0.38 -0.05 -2.32 3.10 8.25 0.25 -5.01 115.22 119.82 3ck6 n HIS 48 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 3ck6 n HIS 48 Cb 0.43 -1.72 -0.03 0.00 1.12 0.00 0.00 29.99 29.79 3ck6 n HIS 48 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ck6 s VAL 49 N -2.31 3.93 0.52 1.59 1.01 -0.70 -4.97 120.40 119.46 3ck6 s VAL 49 Ca 0.00 1.29 -0.22 0.00 0.00 0.00 0.00 61.98 63.05 3ck6 s VAL 49 Cb 0.00 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3ck6 s VAL 49 CO 0.00 -0.01 1.29 -2.65 0.00 0.00 0.00 175.10 173.73 3ck6 n PRO 50 N 5.35 1.68 -0.24 2.72 -0.02 -1.26 -4.34 135.00 138.89 3ck6 n PRO 50 Ca 0.12 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 62.24 3ck6 n PRO 50 Cb 0.45 -2.48 0.14 0.00 -0.02 0.00 0.00 33.50 31.59 3ck6 n PRO 50 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3ck6 h ARG 51 N 1.52 0.47 -0.21 -0.52 2.43 -1.97 -1.69 114.38 114.40 3ck6 h ARG 51 Ca -0.50 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.59 3ck6 h ARG 51 Cb 1.31 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 3ck6 h ARG 51 CO 0.57 0.31 -0.10 0.00 -1.51 0.00 0.00 179.97 179.24 3ck6 h ALA 52 N 1.47 1.44 -0.20 2.80 0.00 -1.99 0.26 119.26 123.04 3ck6 h ALA 52 Ca 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3ck6 h ALA 52 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ck6 h ALA 52 CO -0.33 0.39 0.01 1.15 0.00 0.00 0.00 179.25 180.48 3ck6 h THR 53 N 0.32 1.24 -0.60 0.00 2.02 -1.77 -1.83 112.91 112.29 3ck6 h THR 53 Ca 0.07 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.45 3ck6 h THR 53 Cb 0.38 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 3ck6 h THR 53 CO 0.02 0.25 0.38 0.58 0.37 0.00 0.00 175.52 177.12 3ck6 h VAL 54 N 0.11 1.11 -0.55 3.16 2.07 -0.82 -0.07 116.25 121.25 3ck6 h VAL 54 Ca 0.06 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.41 3ck6 h VAL 54 Cb 0.36 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.32 3ck6 h VAL 54 CO 0.01 0.14 0.12 0.44 0.02 0.00 0.00 177.57 178.30 3ck6 h ASP 55 N 0.77 0.02 -0.21 0.57 3.32 -0.30 -0.84 116.42 119.73 3ck6 h ASP 55 Ca 0.23 0.10 -0.18 0.00 0.02 0.00 0.00 57.03 57.20 3ck6 h ASP 55 Cb -0.02 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3ck6 h ASP 55 CO -0.08 0.03 -0.57 -0.74 -1.72 0.00 0.00 179.24 176.16 3ck6 h HIS 56 N 0.26 1.03 -0.69 4.55 2.76 -0.92 -2.30 115.15 119.84 3ck6 h HIS 56 Ca 0.28 -0.37 0.01 0.00 -2.20 0.00 0.00 60.37 58.09 3ck6 h HIS 56 Cb 0.39 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 3ck6 h HIS 56 CO -0.23 1.19 0.46 1.25 -1.30 0.00 0.00 177.93 179.29 3ck6 h LEU 57 N 0.62 0.78 -2.23 0.26 5.85 -0.31 -3.08 115.31 117.20 3ck6 h LEU 57 Ca 0.01 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ck6 h LEU 57 Cb 1.17 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3ck6 h LEU 57 CO 0.12 0.57 0.00 0.18 -0.34 0.00 0.00 178.44 178.97 3ck6 n LEU 58 N -4.43 3.15 -4.73 2.25 4.77 -0.39 -4.93 117.00 112.69 3ck6 n LEU 58 Ca 0.07 -1.44 -0.35 0.00 -0.03 0.00 0.00 56.01 54.26 3ck6 n LEU 58 Cb 0.04 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3ck6 n LEU 58 CO 0.36 0.67 0.82 0.00 -1.33 0.00 0.00 177.39 177.91 3ck6 s ALA 59 N -1.40 2.29 0.09 -1.18 0.00 -0.87 -4.94 121.76 115.74 3ck6 s ALA 59 Ca 0.32 0.95 -0.26 0.00 0.00 0.00 0.00 51.96 52.98 3ck6 s ALA 59 Cb 0.19 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 3ck6 s ALA 59 CO 0.27 -1.62 1.69 0.22 0.00 0.00 0.00 175.76 176.32 3ck6 h ASP 60 N 0.16 -0.31 -2.80 0.00 3.58 -1.92 -3.43 116.42 111.70 3ck6 h ASP 60 Ca -0.49 0.02 -0.64 0.00 0.42 0.00 0.00 57.03 56.34 3ck6 h ASP 60 Cb 1.30 0.10 -0.05 0.00 1.72 0.00 0.00 39.33 42.39 3ck6 h ASP 60 CO 0.52 -0.20 -0.48 -1.61 -2.88 0.00 0.00 179.24 174.59 3ck6 s GLU 61 N -6.14 3.46 0.16 0.28 8.01 -1.26 -5.10 118.70 118.10 3ck6 s GLU 61 Ca -0.15 -0.27 -0.14 0.00 0.01 0.00 0.00 54.97 54.42 3ck6 s GLU 61 Cb 0.06 -3.11 0.02 0.00 -4.31 0.00 0.00 34.13 26.79 3ck6 s GLU 61 CO 0.65 0.69 0.41 -1.54 0.01 0.00 0.00 175.26 175.47 3ck6 s SER 62 N -1.80 -0.15 0.05 -0.19 1.04 -1.26 -5.08 113.70 106.31 3ck6 s SER 62 Ca 0.26 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 56.17 3ck6 s SER 62 Cb -0.13 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 3ck6 s SER 62 CO 0.17 -0.94 -0.10 0.00 0.98 0.00 0.00 173.24 173.35 3ck6 s ARG 63 N -3.88 0.65 0.32 4.02 1.70 -1.26 -5.13 118.95 115.38 3ck6 s ARG 63 Ca 0.09 -0.79 -0.28 0.00 -0.47 0.00 0.00 55.73 54.28 3ck6 s ARG 63 Cb 0.01 -0.52 -0.13 0.00 -0.57 0.00 0.00 34.95 33.74 3ck6 s ARG 63 CO -0.05 0.11 1.24 -2.30 -1.08 0.00 0.00 175.30 173.22 3ck6 n PRO 64 N 1.52 1.95 -3.60 3.89 -0.02 -1.26 -4.80 135.00 132.68 3ck6 n PRO 64 Ca -0.21 0.69 -0.05 0.00 -2.02 0.00 0.00 63.50 61.90 3ck6 n PRO 64 Cb 0.55 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3ck6 n PRO 64 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ck6 s SER 65 N -0.32 -0.18 -0.09 2.55 1.04 -0.59 -4.63 113.70 111.48 3ck6 s SER 65 Ca 0.57 0.12 0.03 0.00 0.48 0.00 0.00 55.95 57.15 3ck6 s SER 65 Cb -0.60 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.67 3ck6 s SER 65 CO 0.61 -0.22 -0.20 0.12 0.98 0.00 0.00 173.24 174.53 3ck6 s PHE 66 N -1.66 2.61 -0.24 5.02 5.36 -1.26 -0.69 117.98 127.12 3ck6 s PHE 66 Ca 0.06 -0.77 0.01 0.00 -0.96 0.00 0.00 56.93 55.26 3ck6 s PHE 66 Cb -0.01 -1.71 0.06 0.00 -0.34 0.00 0.00 43.02 41.03 3ck6 s PHE 66 CO -0.04 -0.26 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.41 3ck6 s HIS 67 N 0.11 2.31 0.10 10.12 3.76 -1.26 -5.00 115.29 125.44 3ck6 s HIS 67 Ca -0.10 -1.73 -0.31 0.00 -0.15 0.00 0.00 55.06 52.78 3ck6 s HIS 67 Cb -0.16 -1.58 -0.07 0.00 1.11 0.00 0.00 32.58 31.88 3ck6 s HIS 67 CO 0.06 -0.77 1.30 -1.25 -0.85 0.00 0.00 174.74 173.23 3ck6 s PRO 68 N 1.42 4.37 0.00 8.40 0.04 -1.26 -4.37 135.00 143.60 3ck6 s PRO 68 Ca -0.05 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3ck6 s PRO 68 Cb -0.19 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.07 3ck6 s PRO 68 CO -0.07 -0.35 0.00 1.28 0.04 0.00 0.00 177.00 177.91 3ck6 n LEU 69 N 3.84 0.00 -4.79 -3.56 4.77 0.23 -4.95 117.00 112.54 3ck6 n LEU 69 Ca 0.10 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.74 3ck6 n LEU 69 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3ck6 n LEU 69 CO 0.57 0.00 0.74 1.51 -1.33 0.00 0.00 177.39 178.88 3ck6 s ASP 70 N -0.07 6.10 -0.75 -1.43 3.84 -1.26 -4.62 116.67 118.48 3ck6 s ASP 70 Ca 0.00 2.02 -0.04 0.00 -0.00 0.00 0.00 52.55 54.53 3ck6 s ASP 70 Cb 0.00 -2.57 0.01 0.00 -1.38 0.00 0.00 42.92 38.98 3ck6 s ASP 70 CO 0.00 -0.96 0.57 0.47 -0.00 0.00 0.00 175.17 175.26 3ck6 n ASP 71 N -1.11 -4.58 0.00 2.11 8.00 -1.26 0.53 116.55 120.23 3ck6 n ASP 71 Ca 0.10 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.75 3ck6 n ASP 71 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 3ck6 n ASP 71 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ck6 n ASP 72 N -2.22 0.00 -4.83 -2.24 8.00 -1.26 -4.84 116.55 109.15 3ck6 n ASP 72 Ca -0.29 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.89 3ck6 n ASP 72 Cb 0.66 -1.14 -0.06 0.00 -0.02 0.00 0.00 41.12 40.57 3ck6 n ASP 72 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3ck6 s ASN 73 N -2.63 6.82 0.00 -2.24 0.01 0.19 -4.89 114.94 112.20 3ck6 s ASN 73 Ca 0.00 1.61 0.00 0.00 -0.71 0.00 0.00 52.86 53.76 3ck6 s ASN 73 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 3ck6 s ASN 73 CO 0.00 -0.42 0.00 2.22 -1.51 0.00 0.00 177.10 177.39 3ck6 n PHE 74 N -0.92 0.00 0.00 2.20 1.16 -0.57 -0.60 117.46 118.73 3ck6 n PHE 74 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 3ck6 n PHE 74 Cb 0.54 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 3ck6 n PHE 74 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 3ck6 n LEU 76 N 0.00 0.00 -4.27 5.98 7.94 -0.12 -1.01 117.00 125.52 3ck6 n LEU 76 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 3ck6 n LEU 76 Cb 0.00 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 43.79 3ck6 n LEU 76 CO 0.00 0.00 -0.51 -0.63 -1.11 0.00 0.00 177.39 175.14 3ck6 s ILE 77 N 0.00 2.46 0.10 1.96 1.01 0.14 -0.01 121.20 126.86 3ck6 s ILE 77 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.82 3ck6 s ILE 77 Cb 0.00 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 3ck6 s ILE 77 CO 0.00 0.54 -0.11 -0.76 0.00 0.00 0.00 174.94 174.61 3ck6 s LEU 78 N 0.43 2.41 0.16 2.97 1.43 -0.36 -1.54 118.68 124.17 3ck6 s LEU 78 Ca -0.14 -0.82 0.06 0.00 -1.03 0.00 0.00 54.13 52.21 3ck6 s LEU 78 Cb -0.17 -0.36 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 3ck6 s LEU 78 CO 0.06 -0.24 0.04 -0.13 0.23 0.00 0.00 176.35 176.31 3ck6 s ARG 79 N -2.79 2.56 0.06 1.70 1.81 -1.26 -0.11 118.95 120.91 3ck6 s ARG 79 Ca 0.07 -1.01 0.02 0.00 -1.72 0.00 0.00 55.73 53.09 3ck6 s ARG 79 Cb -0.03 -2.46 -0.03 0.00 -0.45 0.00 0.00 34.95 31.98 3ck6 s ARG 79 CO 0.01 0.47 -0.08 0.20 -0.68 0.00 0.00 175.30 175.22 3ck6 s GLY 80 N -2.91 0.61 0.60 -3.53 0.00 -0.18 -4.91 107.32 97.00 3ck6 s GLY 80 Ca 0.28 -0.95 -0.17 0.00 0.00 0.00 0.00 44.72 43.88 3ck6 s GLY 80 CO 0.20 -1.01 1.11 -0.26 0.00 0.00 0.00 173.10 173.14 3ck6 s ILE 81 N -2.00 3.29 0.49 0.90 -5.25 -1.26 -1.37 121.20 116.00 3ck6 s ILE 81 Ca -0.03 0.69 -0.01 0.00 -0.99 0.00 0.00 60.65 60.31 3ck6 s ILE 81 Cb -0.06 -3.22 0.00 0.00 2.95 0.00 0.00 42.46 42.13 3ck6 s ILE 81 CO -0.01 -0.28 0.73 0.21 -1.79 0.00 0.00 174.94 173.80 3ck6 s ASN 82 N -2.23 5.70 0.00 4.36 3.84 -0.08 -4.69 114.94 121.84 3ck6 s ASN 82 Ca 0.69 0.31 0.00 0.00 0.21 0.00 0.00 52.86 54.07 3ck6 s ASN 82 Cb -0.21 -1.46 0.00 0.00 -0.55 0.00 0.00 41.25 39.03 3ck6 s ASN 82 CO 0.34 -0.83 0.00 0.59 -2.79 0.00 0.00 177.10 174.41 3ck6 n ASN 84 N -2.21 0.00 -4.71 -4.21 3.02 -1.26 -3.69 115.26 102.20 3ck6 n ASN 84 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 3ck6 n ASN 84 Cb 0.58 0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 40.28 3ck6 n ASN 84 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ck6 n GLU 85 N -1.65 2.81 -0.97 3.52 -0.58 -1.26 -1.83 120.64 120.68 3ck6 n GLU 85 Ca 0.00 1.02 0.00 0.00 -0.42 0.00 0.00 57.16 57.76 3ck6 n GLU 85 Cb 0.00 -2.88 0.00 0.00 -0.57 0.00 0.00 31.44 27.99 3ck6 n GLU 85 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3ck6 n ASN 86 N 4.48 -4.71 -4.87 1.62 3.02 -1.26 -5.00 115.26 108.54 3ck6 n ASN 86 Ca 0.17 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.41 3ck6 n ASN 86 Cb 0.36 -2.57 -0.01 0.00 -0.61 0.00 0.00 39.78 36.95 3ck6 n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ck6 s ALA 87 N -1.33 3.15 -0.16 5.41 0.00 -0.76 -5.04 121.76 123.03 3ck6 s ALA 87 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.58 3ck6 s ALA 87 Cb 0.00 -3.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.12 3ck6 s ALA 87 CO 0.00 -0.49 1.07 -1.12 0.00 0.00 0.00 175.76 175.23 3ck6 s SER 88 N -3.83 7.12 0.29 0.00 0.01 -1.26 -4.90 113.70 111.13 3ck6 s SER 88 Ca 0.55 1.52 0.04 0.00 1.31 0.00 0.00 55.95 59.36 3ck6 s SER 88 Cb -0.11 -2.55 0.72 0.00 0.21 0.00 0.00 66.02 64.30 3ck6 s SER 88 CO 0.46 -0.60 1.71 -0.65 0.41 0.00 0.00 173.24 174.57 3ck6 h PRO 89 N 7.43 0.46 0.00 12.44 0.11 -1.95 -1.22 132.00 149.26 3ck6 h PRO 89 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ck6 h PRO 89 Cb 1.11 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3ck6 h PRO 89 CO 0.93 0.31 0.00 -0.85 -0.21 0.00 0.00 178.00 178.17 3ck6 n GLU 90 N -4.98 0.39 -2.50 1.05 0.00 -1.26 -0.91 120.64 112.44 3ck6 n GLU 90 Ca 0.22 0.03 -0.40 0.00 0.00 0.00 0.00 57.16 57.01 3ck6 n GLU 90 Cb 0.63 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.54 3ck6 n GLU 90 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3ck6 s ASP 91 N -2.56 6.18 0.10 -1.84 2.15 -0.46 -4.69 116.67 115.55 3ck6 s ASP 91 Ca 0.26 -0.81 0.07 0.00 0.43 0.00 0.00 52.55 52.50 3ck6 s ASP 91 Cb 0.18 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 40.21 3ck6 s ASP 91 CO 0.41 -1.79 -0.17 -1.48 -0.17 0.00 0.00 175.17 171.98 3ck6 s LEU 93 N 5.88 2.33 -0.16 -1.34 0.05 -0.47 -4.47 118.68 120.49 3ck6 s LEU 93 Ca 0.43 -0.71 -0.01 0.00 0.05 0.00 0.00 54.13 53.89 3ck6 s LEU 93 Cb -0.05 -0.67 -0.01 0.00 -2.05 0.00 0.00 46.19 43.42 3ck6 s LEU 93 CO 0.05 -0.05 -0.12 -0.55 -0.55 0.00 0.00 176.35 175.13 3ck6 s SER 94 N -2.06 3.91 -0.21 1.48 0.15 -1.26 -1.01 113.70 114.70 3ck6 s SER 94 Ca 0.05 -0.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.24 3ck6 s SER 94 Cb -0.08 -1.62 -0.02 0.00 -1.71 0.00 0.00 66.02 62.58 3ck6 s SER 94 CO 0.03 0.08 0.01 -0.63 1.20 0.00 0.00 173.24 173.94 3ck6 s ILE 95 N 0.84 4.03 -0.15 6.45 -1.09 0.84 -4.40 121.20 127.71 3ck6 s ILE 95 Ca -0.04 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 3ck6 s ILE 95 Cb -0.15 -2.84 -0.00 0.00 -1.58 0.00 0.00 42.46 37.89 3ck6 s ILE 95 CO 0.00 0.41 -0.15 -0.13 -1.23 0.00 0.00 174.94 173.84 3ck6 s ARG 96 N 1.12 3.22 -0.07 2.79 0.52 -0.89 -1.23 118.95 124.41 3ck6 s ARG 96 Ca 0.03 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.53 3ck6 s ARG 96 Cb -0.14 -2.63 -0.00 0.00 0.52 0.00 0.00 34.95 32.70 3ck6 s ARG 96 CO 0.02 0.02 -0.21 0.42 0.02 0.00 0.00 175.30 175.56 3ck6 s ILE 97 N 0.81 1.78 -0.16 1.52 1.01 0.98 -0.90 121.20 126.25 3ck6 s ILE 97 Ca -0.05 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 3ck6 s ILE 97 Cb -0.15 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3ck6 s ILE 97 CO -0.00 0.50 -0.02 -0.76 0.00 0.00 0.00 174.94 174.66 3ck6 s LEU 98 N 0.21 3.36 -0.39 2.97 1.43 0.12 -0.94 118.68 125.44 3ck6 s LEU 98 Ca -0.12 -0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 3ck6 s LEU 98 Cb -0.15 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.26 3ck6 s LEU 98 CO 0.06 0.17 0.27 -0.47 0.23 0.00 0.00 176.35 176.60 3ck6 s TYR 99 N 0.35 3.24 -0.05 0.29 5.04 -0.18 -0.00 117.35 126.04 3ck6 s TYR 99 Ca -0.03 -0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 53.98 3ck6 s TYR 99 Cb -0.14 -2.53 0.03 0.00 0.35 0.00 0.00 41.96 39.67 3ck6 s TYR 99 CO 0.02 -0.56 0.04 0.12 -1.34 0.00 0.00 175.55 173.83 3ck6 s PHE 100 N 1.66 0.26 -1.35 4.97 5.36 0.34 -1.51 117.98 127.71 3ck6 s PHE 100 Ca 0.05 0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 56.06 3ck6 s PHE 100 Cb -0.19 -0.58 0.04 0.00 -0.34 0.00 0.00 43.02 41.96 3ck6 s PHE 100 CO 0.09 -0.23 0.47 1.04 -1.46 0.00 0.00 175.22 175.13 3ck6 n GLN 101 N 5.20 -3.73 -0.67 10.12 6.02 -1.26 -1.51 117.38 131.54 3ck6 n GLN 101 Ca -0.05 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 3ck6 n GLN 101 Cb 0.50 -5.37 0.00 0.00 1.02 0.00 0.00 30.24 26.39 3ck6 n GLN 101 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ck6 n GLY 102 N -1.24 0.77 3.64 1.08 0.00 -1.26 -3.96 105.19 104.21 3ck6 n GLY 102 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3ck6 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ck6 s ALA 103 N -2.81 3.16 -0.24 4.61 0.00 -0.57 0.14 121.76 126.04 3ck6 s ALA 103 Ca 0.00 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 3ck6 s ALA 103 Cb 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 3ck6 s ALA 103 CO 0.00 0.67 0.15 -0.51 0.00 0.00 0.00 175.76 176.07 3ck6 s LEU 104 N -2.15 4.01 -0.23 0.00 1.43 -0.54 -0.50 118.68 120.71 3ck6 s LEU 104 Ca 0.23 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 3ck6 s LEU 104 Cb -0.11 -2.08 0.05 0.00 0.03 0.00 0.00 46.19 44.07 3ck6 s LEU 104 CO 0.15 0.04 -0.13 -0.63 0.23 0.00 0.00 176.35 176.01 3ck6 s ILE 105 N 1.18 2.04 0.09 -0.59 1.01 0.99 -0.78 121.20 125.14 3ck6 s ILE 105 Ca 0.07 -1.32 0.04 0.00 0.00 0.00 0.00 60.65 59.44 3ck6 s ILE 105 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 3ck6 s ILE 105 CO 0.05 0.17 0.03 -0.94 0.00 0.00 0.00 174.94 174.25 3ck6 s SER 106 N 1.21 5.18 -0.02 3.58 1.04 -0.03 0.12 113.70 124.78 3ck6 s SER 106 Ca -0.04 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.29 3ck6 s SER 106 Cb -0.17 -1.28 -0.00 0.00 0.10 0.00 0.00 66.02 64.66 3ck6 s SER 106 CO -0.08 0.17 -0.10 0.42 0.98 0.00 0.00 173.24 174.63 3ck6 s THR 107 N -1.37 0.80 0.10 2.02 -4.23 -0.07 -0.71 115.64 112.17 3ck6 s THR 107 Ca 0.27 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.42 3ck6 s THR 107 Cb -0.12 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 3ck6 s THR 107 CO 0.20 0.24 -0.09 0.00 -0.54 0.00 0.00 174.62 174.43 3ck6 s ARG 108 N 0.01 0.86 0.05 3.99 1.04 -0.21 -2.09 118.95 122.59 3ck6 s ARG 108 Ca -0.00 -1.23 0.00 0.00 -1.04 0.00 0.00 55.73 53.46 3ck6 s ARG 108 Cb -0.07 -0.44 0.00 0.00 -2.04 0.00 0.00 34.95 32.41 3ck6 s ARG 108 CO 0.00 0.05 0.00 1.17 -0.04 0.00 0.00 175.30 176.48 3ck6 n LYS 109 N 0.31 0.00 -2.66 3.89 4.81 -1.26 -1.28 118.16 121.98 3ck6 n LYS 109 Ca -0.14 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.87 3ck6 n LYS 109 Cb 0.59 -0.14 -0.02 0.00 0.02 0.00 0.00 35.03 35.48 3ck6 n LYS 109 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3ck6 s ILE 110 N -1.37 4.68 0.39 3.15 1.01 -1.26 -5.00 121.20 122.81 3ck6 s ILE 110 Ca 0.00 2.03 -0.27 0.00 0.00 0.00 0.00 60.65 62.40 3ck6 s ILE 110 Cb 0.00 -4.31 -0.11 0.00 0.01 0.00 0.00 42.46 38.06 3ck6 s ILE 110 CO 0.00 -0.18 1.45 -2.65 0.00 0.00 0.00 174.94 173.56 3ck6 n PRO 111 N 6.31 2.49 -3.47 2.79 -0.02 -1.26 -4.76 135.00 137.08 3ck6 n PRO 111 Ca 0.12 0.88 -0.38 0.00 -2.02 0.00 0.00 63.50 62.09 3ck6 n PRO 111 Cb 0.46 -2.61 -0.09 0.00 -0.02 0.00 0.00 33.50 31.24 3ck6 n PRO 111 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ck6 s SER 112 N -0.24 6.24 0.29 2.55 0.15 -1.26 -4.80 113.70 116.62 3ck6 s SER 112 Ca 0.55 0.27 -0.02 0.00 0.70 0.00 0.00 55.95 57.46 3ck6 s SER 112 Cb -0.48 -2.18 0.44 0.00 -1.71 0.00 0.00 66.02 62.08 3ck6 s SER 112 CO 0.62 -0.09 1.94 -0.09 1.20 0.00 0.00 173.24 176.81 3ck6 h ARG 113 N 7.88 1.10 -0.20 5.44 9.65 -1.94 -2.86 114.38 133.46 3ck6 h ARG 113 Ca -0.34 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 58.48 3ck6 h ARG 113 Cb 1.17 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 29.48 3ck6 h ARG 113 CO 0.65 0.73 0.11 0.00 2.80 0.00 0.00 179.97 184.26 3ck6 h ALA 114 N 1.47 0.24 0.00 2.80 0.00 -1.94 -1.61 119.26 120.22 3ck6 h ALA 114 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ck6 h ALA 114 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ck6 h ALA 114 CO -0.10 -0.30 0.00 -0.89 0.00 0.00 0.00 179.25 177.95 3ck6 n ILE 115 N -4.98 0.42 0.00 0.00 5.41 -1.08 -1.84 119.36 117.28 3ck6 n ILE 115 Ca -0.03 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3ck6 n ILE 115 Cb 0.04 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 3ck6 n ILE 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3ck6 n GLU 117 N 1.22 0.00 -0.18 0.38 1.02 -0.61 -0.93 120.64 121.55 3ck6 n GLU 117 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 3ck6 n GLU 117 Cb 0.15 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.58 3ck6 n GLU 117 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3ck6 h ILE 118 N 0.00 1.26 -0.82 -3.67 2.04 -1.64 -1.10 117.51 113.58 3ck6 h ILE 118 Ca 0.00 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 3ck6 h ILE 118 Cb 0.00 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 3ck6 h ILE 118 CO 0.00 0.36 0.34 0.03 0.00 0.00 0.00 178.15 178.89 3ck6 h ARG 119 N 0.74 1.21 -0.65 2.37 3.08 -1.31 -0.75 114.38 119.07 3ck6 h ARG 119 Ca 0.15 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3ck6 h ARG 119 Cb 0.47 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3ck6 h ARG 119 CO 0.02 0.96 0.22 1.96 -1.07 0.00 0.00 179.97 182.06 3ck6 h GLN 120 N 1.18 0.99 -0.33 0.04 4.20 -1.78 -0.59 115.11 118.82 3ck6 h GLN 120 Ca 0.27 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3ck6 h GLN 120 Cb 0.19 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3ck6 h GLN 120 CO -0.03 0.86 0.22 0.00 -0.67 0.00 0.00 178.83 179.21 3ck6 h ALA 121 N 1.09 0.42 -0.76 3.87 0.00 -0.93 0.34 119.26 123.29 3ck6 h ALA 121 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3ck6 h ALA 121 Cb 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3ck6 h ALA 121 CO -0.01 -0.12 0.35 -0.07 0.00 0.00 0.00 179.25 179.39 3ck6 h LEU 122 N 0.44 1.02 -1.69 0.00 3.38 -0.95 -0.05 115.31 117.45 3ck6 h LEU 122 Ca 0.12 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ck6 h LEU 122 Cb -0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3ck6 h LEU 122 CO -0.03 0.88 -0.19 0.00 0.09 0.00 0.00 178.44 179.19 3ck6 h ALA 123 N 1.18 1.45 -0.56 1.53 0.00 -0.82 -1.87 119.26 120.17 3ck6 h ALA 123 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ck6 h ALA 123 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ck6 h ALA 123 CO -0.03 0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.84 3ck6 n GLU 124 N -3.97 2.45 -3.52 0.00 1.02 0.08 -4.96 120.64 111.75 3ck6 n GLU 124 Ca -0.02 -2.07 -0.25 0.00 -0.02 0.00 0.00 57.16 54.80 3ck6 n GLU 124 Cb 0.27 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.26 3ck6 n GLU 124 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3ck6 n HIS 125 N 1.10 -2.58 -2.48 -0.32 8.25 -0.45 -4.89 115.22 113.86 3ck6 n HIS 125 Ca 0.19 0.88 0.03 0.00 -0.26 0.00 0.00 57.72 58.56 3ck6 n HIS 125 Cb 0.52 -4.70 0.02 0.00 1.12 0.00 0.00 29.99 26.94 3ck6 n HIS 125 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3ck6 n LYS 126 N -4.72 0.03 -0.92 -0.41 2.85 -0.16 -5.02 118.16 109.81 3ck6 n LYS 126 Ca -0.01 -1.97 -0.11 0.00 -1.05 0.00 0.00 58.31 55.16 3ck6 n LYS 126 Cb 0.57 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 35.02 3ck6 n LYS 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ck6 n GLY 127 N 0.46 -0.76 3.70 2.58 0.00 -1.13 -4.75 105.19 105.30 3ck6 n GLY 127 Ca 0.04 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 3ck6 n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ck6 s PRO 128 N -3.97 1.80 0.00 1.61 0.04 -1.26 -4.94 135.00 128.28 3ck6 s PRO 128 Ca 0.29 1.79 0.19 0.00 0.04 0.00 0.00 61.00 63.32 3ck6 s PRO 128 Cb -0.01 -1.79 0.27 0.00 0.04 0.00 0.00 34.50 33.01 3ck6 s PRO 128 CO 0.20 -2.10 1.22 1.63 0.04 0.00 0.00 177.00 177.99 3ck6 n LYS 129 N -3.07 2.04 -3.72 4.56 5.02 -1.26 -4.71 118.16 117.01 3ck6 n LYS 129 Ca 0.14 -1.91 -0.09 0.00 -2.02 0.00 0.00 58.31 54.43 3ck6 n LYS 129 Cb 0.50 -1.40 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 3ck6 n LYS 129 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ck6 s SER 130 N -1.44 -0.35 0.30 4.39 1.04 -1.26 -4.25 113.70 112.12 3ck6 s SER 130 Ca 0.28 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.29 3ck6 s SER 130 Cb 0.18 0.68 0.46 0.00 0.10 0.00 0.00 66.02 67.44 3ck6 s SER 130 CO 0.25 -1.21 1.86 -0.07 0.98 0.00 0.00 173.24 175.05 3ck6 h LEU 131 N 2.02 0.72 -0.61 2.42 3.38 -1.89 -0.57 115.31 120.77 3ck6 h LEU 131 Ca -0.24 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.66 3ck6 h LEU 131 Cb 1.27 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3ck6 h LEU 131 CO 0.29 0.70 0.34 0.00 0.09 0.00 0.00 178.44 179.85 3ck6 h ALA 132 N 1.40 0.80 -0.24 1.53 0.00 -1.96 -1.28 119.26 119.52 3ck6 h ALA 132 Ca 0.17 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3ck6 h ALA 132 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ck6 h ALA 132 CO -0.01 0.02 -0.59 1.03 0.00 0.00 0.00 179.25 179.70 3ck6 h SER 133 N 0.64 0.93 -0.18 0.00 0.87 -1.81 -2.51 113.55 111.49 3ck6 h SER 133 Ca 0.27 -0.56 0.03 0.00 -1.23 0.00 0.00 61.79 60.30 3ck6 h SER 133 Cb 0.14 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 3ck6 h SER 133 CO -0.16 1.33 -0.03 0.25 -0.53 0.00 0.00 176.83 177.68 3ck6 h LEU 134 N 0.58 -0.14 -0.38 2.23 5.85 -0.94 0.69 115.31 123.20 3ck6 h LEU 134 Ca -0.01 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3ck6 h LEU 134 Cb 1.21 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 3ck6 h LEU 134 CO 0.13 -0.05 0.22 0.25 -0.34 0.00 0.00 178.44 178.66 3ck6 h LEU 135 N 0.02 0.36 -0.73 2.25 5.85 -1.25 0.34 115.31 122.15 3ck6 h LEU 135 Ca 0.09 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.90 3ck6 h LEU 135 Cb 0.13 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 3ck6 h LEU 135 CO -0.17 0.26 0.37 -1.13 -0.34 0.00 0.00 178.44 177.43 3ck6 h ASN 136 N 0.45 0.50 -0.03 1.25 -0.00 -1.24 -1.77 115.58 114.73 3ck6 h ASN 136 Ca 0.15 0.06 -0.12 0.00 -0.00 0.00 0.00 56.30 56.39 3ck6 h ASN 136 Cb 0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.29 3ck6 h ASN 136 CO -0.07 0.28 -0.36 1.56 -0.00 0.00 0.00 177.43 178.84 3ck6 h GLN 137 N 0.63 0.53 -0.23 6.67 4.20 -0.24 -1.27 115.11 125.40 3ck6 h GLN 137 Ca 0.36 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 3ck6 h GLN 137 Cb 0.37 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3ck6 h GLN 137 CO -0.26 0.82 0.14 0.82 -0.67 0.00 0.00 178.83 179.67 3ck6 h ILE 138 N 0.45 1.10 0.14 2.54 2.04 -0.57 0.27 117.51 123.47 3ck6 h ILE 138 Ca 0.05 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3ck6 h ILE 138 Cb 0.84 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3ck6 h ILE 138 CO 0.07 0.10 -0.07 0.40 0.00 0.00 0.00 178.15 178.65 3ck6 h ILE 139 N 0.28 0.93 -0.08 -0.67 2.04 -1.14 -1.78 117.51 117.09 3ck6 h ILE 139 Ca 0.08 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 3ck6 h ILE 139 Cb 0.04 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3ck6 h ILE 139 CO -0.01 0.07 -0.34 -0.33 0.00 0.00 0.00 178.15 177.54 3ck6 h GLU 140 N -0.33 0.15 0.12 2.37 4.39 -1.25 -1.94 114.58 118.09 3ck6 h GLU 140 Ca -0.02 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3ck6 h GLU 140 Cb 0.26 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3ck6 h GLU 140 CO 0.03 0.47 -0.06 0.78 -1.16 0.00 0.00 179.01 179.08 3ck6 h GLY 141 N 1.08 -0.16 0.65 -3.84 0.00 -0.30 0.44 103.07 100.93 3ck6 h GLY 141 Ca 0.02 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.46 3ck6 h GLY 141 CO 0.05 -0.06 0.19 1.41 0.00 0.00 0.00 176.54 178.13 3ck6 h LEU 142 N -0.30 0.23 -0.37 3.11 3.38 -1.18 -1.95 115.31 118.24 3ck6 h LEU 142 Ca -0.02 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3ck6 h LEU 142 Cb 0.24 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3ck6 h LEU 142 CO 0.03 0.17 0.04 0.78 0.09 0.00 0.00 178.44 179.54 3ck6 h ASN 143 N 0.38 -0.07 -0.87 -0.43 2.35 -1.25 -2.29 115.58 113.40 3ck6 h ASN 143 Ca 0.21 0.07 0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3ck6 h ASN 143 Cb 0.17 0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 3ck6 h ASN 143 CO -0.19 -0.00 0.57 1.23 -1.65 0.00 0.00 177.43 177.39 3ck6 h GLY 144 N 0.15 1.24 1.39 2.83 0.00 -0.50 0.07 103.07 108.25 3ck6 h GLY 144 Ca 0.18 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 46.92 3ck6 h GLY 144 CO -0.27 0.40 -0.45 0.50 0.00 0.00 0.00 176.54 176.72 3ck6 h LYS 145 N 1.12 0.66 -0.20 4.80 1.79 -1.09 -0.89 116.57 122.76 3ck6 h LYS 145 Ca 0.33 -0.36 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3ck6 h LYS 145 Cb -0.05 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 3ck6 h LYS 145 CO -0.10 0.97 0.11 0.82 -1.08 0.00 0.00 179.45 180.17 3ck6 h ILE 146 N 0.53 1.11 -0.61 1.86 2.04 -0.88 -1.69 117.51 119.87 3ck6 h ILE 146 Ca 0.03 -0.29 0.10 0.00 1.00 0.00 0.00 64.86 65.70 3ck6 h ILE 146 Cb 0.98 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 3ck6 h ILE 146 CO 0.09 0.10 0.20 0.44 0.00 0.00 0.00 178.15 178.99 3ck6 h ASP 147 N 0.22 0.17 -0.51 1.72 3.32 -0.77 0.51 116.42 121.08 3ck6 h ASP 147 Ca 0.07 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3ck6 h ASP 147 Cb 0.07 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3ck6 h ASP 147 CO -0.01 0.10 0.25 -0.07 -1.72 0.00 0.00 179.24 177.78 3ck6 h LEU 148 N 0.37 0.66 -0.54 1.55 3.38 -0.95 -0.99 115.31 118.79 3ck6 h LEU 148 Ca 0.32 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3ck6 h LEU 148 Cb 0.42 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3ck6 h LEU 148 CO -0.34 0.60 0.19 0.22 0.09 0.00 0.00 178.44 179.21 3ck6 h TYR 149 N 0.68 0.84 -0.19 1.13 3.20 -0.96 -2.87 116.97 118.79 3ck6 h TYR 149 Ca 0.17 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 3ck6 h TYR 149 Cb 0.12 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3ck6 h TYR 149 CO -0.01 0.70 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.12 3ck6 h LEU 150 N 0.73 0.26 -1.57 2.82 3.38 -0.44 -0.33 115.31 120.16 3ck6 h LEU 150 Ca 0.18 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.20 3ck6 h LEU 150 Cb 0.24 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3ck6 h LEU 150 CO -0.01 0.33 0.41 0.44 0.09 0.00 0.00 178.44 179.70 3ck6 h ASP 151 N 0.28 0.45 -0.23 -0.43 3.32 -0.96 -0.25 116.42 118.58 3ck6 h ASP 151 Ca 0.06 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 3ck6 h ASP 151 Cb 0.23 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3ck6 h ASP 151 CO 0.01 0.28 -0.25 0.71 -1.72 0.00 0.00 179.24 178.26 3ck6 h THR 152 N 0.50 1.27 -0.40 0.35 1.35 -1.04 -1.64 112.91 113.29 3ck6 h THR 152 Ca 0.28 -1.35 -0.08 0.00 -0.55 0.00 0.00 66.41 64.71 3ck6 h THR 152 Cb 0.45 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 3ck6 h THR 152 CO -0.08 0.45 -0.07 0.40 -0.25 0.00 0.00 175.52 175.97 3ck6 h ILE 153 N 0.62 1.27 -0.47 6.82 2.04 -1.08 -2.30 117.51 124.41 3ck6 h ILE 153 Ca 0.08 -1.14 0.08 0.00 1.00 0.00 0.00 64.86 64.89 3ck6 h ILE 153 Cb 0.75 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 3ck6 h ILE 153 CO 0.06 0.38 0.07 -0.08 0.00 0.00 0.00 178.15 178.58 3ck6 h GLU 154 N 0.58 0.20 -0.33 2.37 4.81 -0.92 0.02 114.58 121.30 3ck6 h GLU 154 Ca 0.11 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 3ck6 h GLU 154 Cb 0.58 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 3ck6 h GLU 154 CO 0.03 0.13 0.04 0.93 -0.73 0.00 0.00 179.01 179.42 3ck6 h GLU 155 N 0.20 0.15 -0.82 1.92 5.08 -1.20 -0.43 114.58 119.48 3ck6 h GLU 155 Ca 0.24 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 3ck6 h GLU 155 Cb 0.32 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 3ck6 h GLU 155 CO -0.33 0.10 0.51 1.15 -1.00 0.00 0.00 179.01 179.44 3ck6 h THR 156 N 0.15 1.04 -0.06 1.13 2.02 -0.77 -2.20 112.91 114.23 3ck6 h THR 156 Ca 0.16 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 66.89 3ck6 h THR 156 Cb 0.19 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3ck6 h THR 156 CO -0.23 0.17 -0.53 -0.07 0.37 0.00 0.00 175.52 175.23 3ck6 h LEU 157 N 0.93 0.18 -0.45 2.58 4.07 -0.59 -3.14 115.31 118.89 3ck6 h LEU 157 Ca 0.36 -0.09 -0.15 0.00 0.08 0.00 0.00 57.88 58.07 3ck6 h LEU 157 Cb 0.15 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3ck6 h LEU 157 CO -0.17 0.68 -0.74 0.78 -1.08 0.00 0.00 178.44 177.91 3ck6 h ASN 158 N 0.12 0.00 0.78 -0.43 2.35 -0.59 -3.06 115.58 114.76 3ck6 h ASN 158 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ck6 h ASN 158 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 3ck6 h ASN 158 CO 0.08 0.74 0.00 -0.62 -1.65 0.00 0.00 177.43 175.97 3ck6 n GLU 159 N -3.58 0.01 -1.74 0.81 -0.58 -0.87 -4.85 120.64 109.84 3ck6 n GLU 159 Ca -0.00 0.11 -0.42 0.00 -0.42 0.00 0.00 57.16 56.42 3ck6 n GLU 159 Cb 0.74 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.08 3ck6 n GLU 159 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3ck6 s PHE 160 N -2.99 2.48 -0.04 -0.32 5.36 -1.16 -4.85 117.98 116.47 3ck6 s PHE 160 Ca 0.11 0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 56.22 3ck6 s PHE 160 Cb 0.15 -4.15 0.03 0.00 -0.34 0.00 0.00 43.02 38.71 3ck6 s PHE 160 CO 0.41 -4.57 0.06 0.34 -1.46 0.00 0.00 175.22 170.00 3ck6 s ASP 161 N 2.06 1.08 0.56 6.13 2.15 -1.26 -5.04 116.67 122.34 3ck6 s ASP 161 Ca 0.78 0.08 0.24 0.00 0.43 0.00 0.00 52.55 54.08 3ck6 s ASP 161 Cb -0.47 -0.14 1.52 0.00 -0.30 0.00 0.00 42.92 43.53 3ck6 s ASP 161 CO 0.34 -0.24 2.13 1.62 -0.17 0.00 0.00 175.17 178.85 3ck6 h VAL 162 N 6.43 0.71 -0.00 1.11 3.04 -1.97 -1.14 116.25 124.43 3ck6 h VAL 162 Ca -0.14 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 3ck6 h VAL 162 Cb 1.12 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 3ck6 h VAL 162 CO 0.17 0.00 -0.15 0.59 -1.01 0.00 0.00 177.57 177.17 3ck6 n ASN 163 N -4.16 0.41 -3.96 3.17 5.03 -1.26 -4.64 115.26 109.85 3ck6 n ASN 163 Ca 0.00 -0.36 -0.31 0.00 0.87 0.00 0.00 54.58 54.79 3ck6 n ASN 163 Cb 0.24 -0.09 -0.15 0.00 -1.02 0.00 0.00 39.78 38.76 3ck6 n ASN 163 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3ck6 s ASP 164 N -2.63 4.47 0.24 6.41 2.15 -0.43 -4.99 116.67 121.88 3ck6 s ASP 164 Ca 0.24 -1.83 0.21 0.00 0.43 0.00 0.00 52.55 51.60 3ck6 s ASP 164 Cb 0.19 -1.42 0.94 0.00 -0.30 0.00 0.00 42.92 42.34 3ck6 s ASP 164 CO 0.52 -0.34 1.63 -0.62 -0.17 0.00 0.00 175.17 176.19 3ck6 n GLU 165 N 4.44 0.15 0.15 4.34 1.02 -1.26 -1.44 120.64 128.04 3ck6 n GLU 165 Ca -0.02 0.47 0.13 0.00 -0.02 0.00 0.00 57.16 57.72 3ck6 n GLU 165 Cb 0.42 -1.84 0.46 0.00 -0.02 0.00 0.00 31.44 30.46 3ck6 n GLU 165 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3ck6 h SER 166 N 0.00 0.00 -0.24 1.62 4.64 -1.94 -3.09 113.55 114.54 3ck6 h SER 166 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ck6 h SER 166 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3ck6 h SER 166 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 3ck6 n THR 167 N -2.42 0.31 -1.39 2.95 -2.24 -0.52 -4.66 114.28 106.33 3ck6 n THR 167 Ca 0.03 -0.47 -0.39 0.00 -2.27 0.00 0.00 64.05 60.96 3ck6 n THR 167 Cb 0.34 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 3ck6 n THR 167 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3ck6 n TYR 168 N 0.66 2.43 -0.96 4.78 4.02 -1.17 -4.48 117.16 122.43 3ck6 n TYR 168 Ca 0.17 -3.06 0.03 0.00 -0.01 0.00 0.00 57.90 55.02 3ck6 n TYR 168 Cb 0.40 -2.42 0.37 0.00 -0.02 0.00 0.00 39.34 37.67 3ck6 n TYR 168 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3ck6 n ASN 169 N 3.36 5.37 0.09 7.72 5.03 -1.26 -4.63 115.26 130.94 3ck6 n ASN 169 Ca 0.77 -3.04 -0.06 0.00 0.87 0.00 0.00 54.58 53.12 3ck6 n ASN 169 Cb 0.24 -0.70 0.01 0.00 -1.02 0.00 0.00 39.78 38.31 3ck6 n ASN 169 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.26 176.55 3ck6 h HIS 170 N 3.46 0.11 -0.23 3.10 2.07 -1.94 -2.59 115.15 119.13 3ck6 h HIS 170 Ca 0.09 -0.06 -0.18 0.00 -2.85 0.00 0.00 60.37 57.37 3ck6 h HIS 170 Cb 2.09 -0.01 -0.00 0.00 2.57 0.00 0.00 27.41 32.05 3ck6 h HIS 170 CO 1.14 0.87 -0.59 -0.84 -3.07 0.00 0.00 177.93 175.44 3ck6 h ILE 171 N 0.04 1.29 -0.95 6.12 -0.00 -1.97 0.19 117.51 122.23 3ck6 h ILE 171 Ca -0.02 -1.80 -0.00 0.00 -0.00 0.00 0.00 64.86 63.04 3ck6 h ILE 171 Cb 1.45 1.74 -0.05 0.00 -0.00 0.00 0.00 36.82 39.97 3ck6 h ILE 171 CO 0.12 0.57 0.60 0.00 -0.00 0.00 0.00 178.15 179.44 3ck6 h ALA 172 N 0.78 1.21 -0.38 0.16 0.00 -1.90 0.64 119.26 119.77 3ck6 h ALA 172 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ck6 h ALA 172 Cb 1.17 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3ck6 h ALA 172 CO 0.12 0.65 0.12 0.00 0.00 0.00 0.00 179.25 180.14 3ck6 h ALA 173 N 1.33 0.50 -0.34 0.00 0.00 -1.20 -2.57 119.26 116.97 3ck6 h ALA 173 Ca 0.35 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ck6 h ALA 173 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3ck6 h ALA 173 CO -0.07 0.14 0.22 0.37 0.00 0.00 0.00 179.25 179.92 3ck6 h GLN 174 N 0.47 0.44 -0.51 0.00 4.15 -0.30 -0.53 115.11 118.83 3ck6 h GLN 174 Ca 0.12 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.62 3ck6 h GLN 174 Cb 0.25 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 27.76 3ck6 h GLN 174 CO -0.00 0.29 0.01 0.87 -1.93 0.00 0.00 178.83 178.06 3ck6 h LYS 175 N 0.46 0.12 -0.51 1.69 1.57 -0.85 -1.94 116.57 117.11 3ck6 h LYS 175 Ca 0.13 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3ck6 h LYS 175 Cb -0.04 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3ck6 h LYS 175 CO -0.03 0.08 0.17 0.00 -0.57 0.00 0.00 179.45 179.10 3ck6 h ALA 176 N 1.45 0.66 -0.29 3.86 0.00 -1.06 -2.81 119.26 121.08 3ck6 h ALA 176 Ca 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ck6 h ALA 176 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ck6 h ALA 176 CO -0.42 0.31 0.02 -0.07 0.00 0.00 0.00 179.25 179.08 3ck6 h LEU 177 N 0.69 0.49 -1.33 0.00 3.38 -0.71 -1.79 115.31 116.03 3ck6 h LEU 177 Ca 0.17 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3ck6 h LEU 177 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3ck6 h LEU 177 CO -0.01 0.65 -0.29 0.16 0.09 0.00 0.00 178.44 179.05 3ck6 h ILE 178 N 0.30 1.22 -0.21 1.22 3.07 -1.39 0.51 117.51 122.24 3ck6 h ILE 178 Ca 0.08 -1.06 -0.19 0.00 1.55 0.00 0.00 64.86 65.24 3ck6 h ILE 178 Cb 0.39 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.46 3ck6 h ILE 178 CO 0.01 0.31 -0.64 0.28 -1.05 0.00 0.00 178.15 177.06 3ck6 h SER 179 N 0.07 0.85 -0.18 2.16 0.02 -1.21 -2.39 113.55 112.86 3ck6 h SER 179 Ca 0.01 -0.50 -0.14 0.00 -0.84 0.00 0.00 61.79 60.32 3ck6 h SER 179 Cb 0.55 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3ck6 h SER 179 CO 0.04 1.27 -0.44 0.40 -1.14 0.00 0.00 176.83 176.96 3ck6 h ILE 180 N 0.54 1.33 -0.77 3.27 2.04 -1.12 -3.24 117.51 119.57 3ck6 h ILE 180 Ca -0.01 -1.69 0.13 0.00 1.00 0.00 0.00 64.86 64.29 3ck6 h ILE 180 Cb 1.24 1.94 -0.09 0.00 -0.74 0.00 0.00 36.82 39.17 3ck6 h ILE 180 CO 0.13 0.52 0.35 0.50 0.00 0.00 0.00 178.15 179.65 3ck6 h LYS 181 N 0.28 0.51 -0.99 2.37 3.64 -0.83 -0.38 116.57 121.16 3ck6 h LYS 181 Ca -0.00 -0.03 0.36 0.00 -1.27 0.00 0.00 60.65 59.70 3ck6 h LYS 181 Cb 1.05 -0.11 -0.17 0.00 -0.41 0.00 0.00 32.23 32.59 3ck6 h LYS 181 CO 0.10 0.34 0.48 -0.09 -2.27 0.00 0.00 179.45 178.00 3ck6 h ARG 182 N 0.52 0.13 0.00 1.90 2.43 -1.45 -2.64 114.38 115.28 3ck6 h ARG 182 Ca 0.41 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.37 3ck6 h ARG 182 Cb 0.57 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 3ck6 h ARG 182 CO -0.36 0.09 -1.81 1.19 -1.51 0.00 0.00 179.97 177.57 3ck6 n PHE 183 N -5.20 0.00 0.00 2.20 3.72 -0.70 -4.51 117.46 112.97 3ck6 n PHE 183 Ca 0.33 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.74 3ck6 n PHE 183 Cb 1.08 -0.57 0.32 0.00 -0.94 0.00 0.00 39.48 39.37 3ck6 n PHE 183 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3ck6 h ILE 184 N 0.00 1.18 0.46 4.37 5.03 -0.89 -1.15 117.51 126.50 3ck6 h ILE 184 Ca -0.30 -0.69 -0.02 0.00 -0.12 0.00 0.00 64.86 63.73 3ck6 h ILE 184 Cb 1.63 0.88 0.00 0.00 -3.03 0.00 0.00 36.82 36.31 3ck6 h ILE 184 CO 0.02 0.24 -0.22 -0.09 -0.68 0.00 0.00 178.15 177.42 3ck6 h ARG 185 N 0.50 -0.59 -0.71 2.37 2.43 -1.72 -2.50 114.38 114.15 3ck6 h ARG 185 Ca 0.11 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.48 3ck6 h ARG 185 Cb 0.27 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 3ck6 h ARG 185 CO 0.00 -0.30 0.48 -1.35 -1.51 0.00 0.00 179.97 177.29 3ck6 h PRO 186 N -0.82 0.30 -0.62 0.20 0.11 -1.77 -2.33 132.00 127.07 3ck6 h PRO 186 Ca -0.06 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.04 3ck6 h PRO 186 Cb 0.56 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 3ck6 h PRO 186 CO 0.10 0.20 0.41 0.37 -0.21 0.00 0.00 178.00 178.87 3ck6 h GLN 187 N 0.31 0.80 -0.47 1.05 5.75 -1.00 -0.36 115.11 121.19 3ck6 h GLN 187 Ca 0.35 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.83 3ck6 h GLN 187 Cb 0.92 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 3ck6 h GLN 187 CO -0.09 0.53 0.26 0.37 -2.65 0.00 0.00 178.83 177.25 3ck6 h GLN 188 N 0.82 0.50 -0.40 1.69 4.15 -0.97 -2.24 115.11 118.66 3ck6 h GLN 188 Ca 0.23 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.52 3ck6 h GLN 188 Cb -0.07 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 3ck6 h GLN 188 CO -0.06 0.33 -0.19 1.88 -1.93 0.00 0.00 178.83 178.86 3ck6 h TYR 189 N 0.52 0.86 -0.73 3.99 0.99 -1.32 -1.76 116.97 119.51 3ck6 h TYR 189 Ca 0.19 -0.18 0.02 0.00 2.00 0.00 0.00 58.73 60.76 3ck6 h TYR 189 Cb 0.05 -0.21 -0.04 0.00 1.00 0.00 0.00 36.73 37.53 3ck6 h TYR 189 CO -0.08 0.89 0.47 0.00 -0.00 0.00 0.00 178.16 179.44 3ck6 h ALA 190 N 1.11 0.94 -0.29 3.88 0.00 -0.92 0.75 119.26 124.73 3ck6 h ALA 190 Ca 0.10 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3ck6 h ALA 190 Cb 0.69 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ck6 h ALA 190 CO 0.05 0.28 -0.54 0.82 0.00 0.00 0.00 179.25 179.86 3ck6 h ILE 191 N 0.93 1.27 -0.29 0.00 2.04 -1.21 0.20 117.51 120.44 3ck6 h ILE 191 Ca 0.28 -1.73 0.04 0.00 1.00 0.00 0.00 64.86 64.46 3ck6 h ILE 191 Cb -0.03 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3ck6 h ILE 191 CO -0.09 0.56 0.06 -0.09 0.00 0.00 0.00 178.15 178.60 3ck6 h ARG 192 N 0.67 0.17 -0.47 2.37 2.43 -1.07 -1.72 114.38 116.76 3ck6 h ARG 192 Ca 0.02 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3ck6 h ARG 192 Cb 1.15 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3ck6 h ARG 192 CO 0.12 0.11 0.03 -0.44 -1.51 0.00 0.00 179.97 178.28 3ck6 h ASP 193 N 0.17 0.72 0.06 -3.80 3.32 -0.59 -0.20 116.42 116.10 3ck6 h ASP 193 Ca 0.13 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.03 3ck6 h ASP 193 Cb 0.14 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3ck6 h ASP 193 CO -0.17 0.77 -0.09 0.25 -1.72 0.00 0.00 179.24 178.28 3ck6 h LEU 194 N 0.72 -0.25 -0.73 1.55 5.85 -0.64 -1.95 115.31 119.86 3ck6 h LEU 194 Ca 0.15 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.92 3ck6 h LEU 194 Cb 0.40 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3ck6 h LEU 194 CO 0.01 -0.14 0.47 0.40 -0.34 0.00 0.00 178.44 178.84 3ck6 h ILE 195 N -0.19 1.15 0.00 4.05 2.04 -0.99 -3.01 117.51 120.56 3ck6 h ILE 195 Ca 0.02 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 3ck6 h ILE 195 Cb 0.20 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3ck6 h ILE 195 CO -0.05 0.17 -0.13 -0.33 0.00 0.00 0.00 178.15 177.81 3ck6 h GLU 196 N 0.94 0.00 0.00 2.37 5.08 -0.86 -2.91 114.58 119.20 3ck6 h GLU 196 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3ck6 h GLU 196 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3ck6 h GLU 196 CO -0.08 0.13 0.00 0.66 -1.00 0.00 0.00 179.01 178.72 3ck6 h SER 197 N 0.00 0.00 -3.96 1.42 4.64 -1.21 -3.46 113.55 110.98 3ck6 h SER 197 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3ck6 h SER 197 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3ck6 h SER 197 CO 0.02 0.00 -0.46 -0.62 -0.87 0.00 0.00 176.83 174.90 3ck6 n GLU 198 N -2.50 -2.70 -1.57 4.77 1.02 -1.10 -4.95 120.64 113.61 3ck6 n GLU 198 Ca -0.00 0.74 -0.44 0.00 -0.02 0.00 0.00 57.16 57.44 3ck6 n GLU 198 Cb 0.14 -5.42 -0.01 0.00 -0.02 0.00 0.00 31.44 26.14 3ck6 n GLU 198 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3ck6 n SER 199 N -2.05 0.94 0.01 1.62 2.88 -1.26 -4.71 113.62 111.05 3ck6 n SER 199 Ca -0.15 1.11 0.18 0.00 -1.33 0.00 0.00 58.87 58.68 3ck6 n SER 199 Cb 0.62 -1.27 0.65 0.00 -0.75 0.00 0.00 64.21 63.46 3ck6 n SER 199 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3ck6 h GLU 200 N 1.71 0.07 0.00 -1.46 4.11 -1.93 0.69 114.58 117.77 3ck6 h GLU 200 Ca -0.40 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.00 3ck6 h GLU 200 Cb 1.35 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 3ck6 h GLU 200 CO 0.58 0.05 -0.13 -0.07 0.07 0.00 0.00 179.01 179.52 3ck6 h LEU 201 N 0.07 0.00 0.02 3.06 3.38 -1.97 -2.96 115.31 116.92 3ck6 h LEU 201 Ca 0.23 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.84 3ck6 h LEU 201 Cb 0.83 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 3ck6 h LEU 201 CO -0.02 0.13 -2.08 0.52 0.09 0.00 0.00 178.44 177.08 3ck6 n VAL 202 N -3.39 1.57 0.30 1.22 0.31 0.09 -4.32 118.33 114.10 3ck6 n VAL 202 Ca -0.01 -0.38 0.17 0.00 -0.01 0.00 0.00 64.34 64.11 3ck6 n VAL 202 Cb 0.31 -1.80 0.79 0.00 -0.91 0.00 0.00 33.84 32.23 3ck6 n VAL 202 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3ck6 h THR 203 N -0.59 0.00 0.00 2.52 1.35 -1.21 0.14 112.91 115.13 3ck6 h THR 203 Ca -0.53 -0.22 -0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3ck6 h THR 203 Cb 1.67 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 69.17 3ck6 h THR 203 CO -0.20 0.00 -0.10 0.77 -0.25 0.00 0.00 175.52 175.74 3ck6 h SER 204 N 0.00 0.00 -1.83 5.36 4.64 -1.72 -3.37 113.55 116.63 3ck6 h SER 204 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3ck6 h SER 204 Cb 0.25 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.93 3ck6 h SER 204 CO 0.00 0.02 -1.11 0.54 -0.87 0.00 0.00 176.83 175.41 3ck6 n ARG 205 N -3.07 1.39 -0.15 4.77 1.74 -0.02 -5.00 116.66 116.33 3ck6 n ARG 205 Ca 0.04 -3.59 -0.10 0.00 -0.77 0.00 0.00 57.85 53.42 3ck6 n ARG 205 Cb 0.54 -1.71 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 3ck6 n ARG 205 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3ck6 h PRO 206 N 2.98 0.71 -0.16 5.56 0.13 -1.58 -1.87 132.00 137.78 3ck6 h PRO 206 Ca 0.07 -0.20 -0.17 0.00 -0.87 0.00 0.00 66.00 64.84 3ck6 h PRO 206 Cb 0.95 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 3ck6 h PRO 206 CO 0.56 0.75 -0.61 0.45 -0.23 0.00 0.00 178.00 178.91 3ck6 h HIS 207 N 0.56 0.69 -0.55 1.56 3.86 -1.94 -2.60 115.15 116.73 3ck6 h HIS 207 Ca 0.13 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3ck6 h HIS 207 Cb 0.39 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 3ck6 h HIS 207 CO 0.03 1.01 0.35 1.96 0.86 0.00 0.00 177.93 182.14 3ck6 h GLN 208 N 0.40 0.73 -0.23 2.45 7.50 -1.91 -1.46 115.11 122.59 3ck6 h GLN 208 Ca -0.01 -0.05 -0.11 0.00 0.50 0.00 0.00 58.65 58.98 3ck6 h GLN 208 Cb 1.17 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.53 3ck6 h GLN 208 CO 0.11 0.50 -0.32 1.88 -1.50 0.00 0.00 178.83 179.50 3ck6 h TYR 209 N 0.74 0.54 -0.82 2.96 -1.99 -1.22 -1.94 116.97 115.24 3ck6 h TYR 209 Ca 0.20 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3ck6 h TYR 209 Cb -0.06 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 38.51 3ck6 h TYR 209 CO -0.03 0.74 0.52 0.00 -0.00 0.00 0.00 178.16 179.39 3ck6 h ARG 210 N 0.40 1.10 -0.64 4.88 -0.00 -1.24 -0.92 114.38 117.95 3ck6 h ARG 210 Ca 0.05 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.98 59.39 3ck6 h ARG 210 Cb 0.76 -0.24 -0.03 0.00 0.00 0.00 0.00 29.97 30.47 3ck6 h ARG 210 CO 0.06 0.75 0.18 0.74 0.00 0.00 0.00 179.97 181.70 3ck6 h PHE 211 N 1.12 1.06 -0.68 3.04 0.04 -0.91 -1.05 116.94 119.55 3ck6 h PHE 211 Ca 0.30 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 3ck6 h PHE 211 Cb -0.09 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.73 3ck6 h PHE 211 CO -0.01 0.87 0.40 0.00 -0.60 0.00 0.00 178.31 178.97 3ck6 h ALA 212 N 1.07 0.86 -0.54 2.45 0.00 -1.03 -0.73 119.26 121.34 3ck6 h ALA 212 Ca 0.20 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3ck6 h ALA 212 Cb 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ck6 h ALA 212 CO -0.00 0.34 0.02 1.25 0.00 0.00 0.00 179.25 180.86 3ck6 h HIS 213 N 0.92 1.03 -0.86 0.00 -0.00 -1.00 -2.03 115.15 113.20 3ck6 h HIS 213 Ca 0.24 -0.17 0.07 0.00 -0.00 0.00 0.00 60.37 60.51 3ck6 h HIS 213 Cb -0.02 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 27.06 3ck6 h HIS 213 CO -0.01 0.93 0.53 -0.97 -0.00 0.00 0.00 177.93 178.41 3ck6 h ASN 214 N 0.82 0.83 -0.28 3.26 -1.24 -0.91 -1.77 115.58 116.30 3ck6 h ASN 214 Ca 0.16 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 3ck6 h ASN 214 Cb 0.51 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 3ck6 h ASN 214 CO 0.02 0.52 0.15 0.78 -1.29 0.00 0.00 177.43 177.62 3ck6 h ASN 215 N 0.96 0.34 -0.36 1.15 2.35 -0.73 0.39 115.58 119.68 3ck6 h ASN 215 Ca 0.38 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.98 3ck6 h ASN 215 Cb 0.20 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3ck6 h ASN 215 CO -0.18 0.33 -0.01 -0.29 -1.65 0.00 0.00 177.43 175.63 3ck6 h ILE 216 N 0.33 1.24 -0.40 2.81 6.09 -1.23 -0.76 117.51 125.59 3ck6 h ILE 216 Ca 0.10 -0.97 0.00 0.00 -1.37 0.00 0.00 64.86 62.62 3ck6 h ILE 216 Cb 0.06 0.90 -0.02 0.00 0.47 0.00 0.00 36.82 38.23 3ck6 h ILE 216 CO -0.02 0.34 0.25 0.74 -3.07 0.00 0.00 178.15 176.40 3ck6 h THR 217 N 0.69 1.11 -0.58 2.19 2.02 -1.16 -1.64 112.91 115.54 3ck6 h THR 217 Ca 0.14 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3ck6 h THR 217 Cb 0.43 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3ck6 h THR 217 CO 0.02 0.11 0.36 -0.09 0.37 0.00 0.00 175.52 176.29 3ck6 h ARG 218 N 0.53 0.79 -0.45 6.66 2.43 -0.47 -2.23 114.38 121.63 3ck6 h ARG 218 Ca 0.14 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 3ck6 h ARG 218 Cb -0.03 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.30 3ck6 h ARG 218 CO -0.03 0.56 0.14 0.82 -1.51 0.00 0.00 179.97 179.94 3ck6 h ILE 219 N 0.79 0.82 -0.30 1.20 2.04 -0.85 0.12 117.51 121.32 3ck6 h ILE 219 Ca 0.21 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 66.03 3ck6 h ILE 219 Cb -0.03 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 3ck6 h ILE 219 CO -0.04 0.05 -0.07 0.78 0.00 0.00 0.00 178.15 178.88 3ck6 h ASN 220 N 0.29 -0.26 -0.59 1.72 2.35 -1.04 -0.94 115.58 117.12 3ck6 h ASN 220 Ca 0.22 0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 56.00 3ck6 h ASN 220 Cb 0.24 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 3ck6 h ASN 220 CO -0.24 -0.09 0.16 -0.33 -1.65 0.00 0.00 177.43 175.27 3ck6 h GLU 221 N 0.01 0.97 -0.48 0.81 5.08 -0.94 -1.59 114.58 118.45 3ck6 h GLU 221 Ca 0.15 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3ck6 h GLU 221 Cb 0.22 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3ck6 h GLU 221 CO -0.31 0.86 0.09 1.15 -1.00 0.00 0.00 179.01 179.80 3ck6 h THR 222 N 0.93 1.25 -0.54 1.13 2.02 -0.71 -0.47 112.91 116.52 3ck6 h THR 222 Ca 0.20 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 3ck6 h THR 222 Cb 0.32 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3ck6 h THR 222 CO -0.00 0.32 0.30 0.40 0.37 0.00 0.00 175.52 176.90 3ck6 h ILE 223 N 0.65 1.18 -0.48 3.11 2.04 -0.87 0.59 117.51 123.73 3ck6 h ILE 223 Ca 0.15 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3ck6 h ILE 223 Cb 0.38 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3ck6 h ILE 223 CO 0.01 0.19 0.23 -0.33 0.00 0.00 0.00 178.15 178.25 3ck6 h GLU 224 N 0.72 0.44 -0.23 2.37 4.39 -1.09 0.20 114.58 121.39 3ck6 h GLU 224 Ca 0.19 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.88 3ck6 h GLU 224 Cb 0.04 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3ck6 h GLU 224 CO -0.03 0.29 0.12 0.35 -1.16 0.00 0.00 179.01 178.59 3ck6 h PHE 225 N 0.46 0.23 -0.95 4.33 3.57 -0.71 -0.35 116.94 123.53 3ck6 h PHE 225 Ca 0.21 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3ck6 h PHE 225 Cb 0.14 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 3ck6 h PHE 225 CO -0.11 0.13 0.58 1.88 -2.23 0.00 0.00 178.31 178.56 3ck6 h TYR 226 N 0.26 1.24 -0.77 0.41 0.05 -0.53 0.17 116.97 117.80 3ck6 h TYR 226 Ca 0.09 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.88 3ck6 h TYR 226 Cb 0.01 -0.41 -0.04 0.00 1.01 0.00 0.00 36.73 37.31 3ck6 h TYR 226 CO -0.09 0.81 0.51 -0.07 -1.05 0.00 0.00 178.16 178.27 3ck6 h LEU 227 N 1.30 0.88 -0.67 3.88 3.38 -0.77 -0.75 115.31 122.56 3ck6 h LEU 227 Ca 0.34 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.35 3ck6 h LEU 227 Cb -0.07 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 3ck6 h LEU 227 CO -0.07 0.64 0.37 1.23 0.09 0.00 0.00 178.44 180.71 3ck6 h GLY 228 N 1.04 0.99 0.96 0.83 0.00 -0.09 -2.09 103.07 104.71 3ck6 h GLY 228 Ca 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3ck6 h GLY 228 CO -0.06 0.15 0.19 0.83 0.00 0.00 0.00 176.54 177.64 3ck6 h GLU 229 N 0.68 0.49 -0.18 4.80 5.08 -0.57 -2.05 114.58 122.83 3ck6 h GLU 229 Ca 0.30 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 3ck6 h GLU 229 Cb 0.20 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3ck6 h GLU 229 CO -0.19 0.41 -0.10 0.28 -1.00 0.00 0.00 179.01 178.42 3ck6 h VAL 230 N 0.43 0.70 -0.72 3.13 2.07 -0.97 -0.78 116.25 120.11 3ck6 h VAL 230 Ca 0.12 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.75 3ck6 h VAL 230 Cb 0.07 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 3ck6 h VAL 230 CO -0.02 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.91 3ck6 h ALA 231 N 1.07 1.00 -0.42 1.67 0.00 -1.28 -1.62 119.26 119.69 3ck6 h ALA 231 Ca 0.10 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3ck6 h ALA 231 Cb 0.23 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3ck6 h ALA 231 CO -0.24 -0.10 0.22 1.25 0.00 0.00 0.00 179.25 180.39 3ck6 h LEU 232 N 0.55 0.34 -0.80 0.00 7.12 -0.87 -1.84 115.31 119.81 3ck6 h LEU 232 Ca 0.37 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.37 3ck6 h LEU 232 Cb 0.45 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.49 3ck6 h LEU 232 CO -0.31 0.24 0.41 -0.26 -0.13 0.00 0.00 178.44 178.39 3ck6 h PHE 233 N 0.45 1.13 -0.34 1.25 0.04 -0.55 -0.81 116.94 118.11 3ck6 h PHE 233 Ca 0.17 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.91 3ck6 h PHE 233 Cb 0.06 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 37.83 3ck6 h PHE 233 CO -0.09 0.81 0.20 1.96 -0.60 0.00 0.00 178.31 180.58 3ck6 h GLN 234 N 1.12 0.39 -0.55 1.51 4.20 -1.01 -0.44 115.11 120.33 3ck6 h GLN 234 Ca 0.28 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 3ck6 h GLN 234 Cb 0.08 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3ck6 h GLN 234 CO -0.04 0.26 0.21 -0.44 -0.67 0.00 0.00 178.83 178.15 3ck6 h ASP 235 N 0.40 0.73 -0.71 1.46 3.45 -1.15 -0.71 116.42 119.89 3ck6 h ASP 235 Ca 0.13 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.50 3ck6 h ASP 235 Cb 0.01 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 38.55 3ck6 h ASP 235 CO -0.07 0.67 0.46 -0.08 -1.57 0.00 0.00 179.24 178.65 3ck6 h GLU 236 N 0.79 0.95 0.05 3.56 4.81 -0.62 0.52 114.58 124.64 3ck6 h GLU 236 Ca 0.19 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3ck6 h GLU 236 Cb 0.17 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3ck6 h GLU 236 CO -0.02 0.64 -0.03 0.82 -0.73 0.00 0.00 179.01 179.70 3ck6 h ILE 237 N 0.97 1.18 -0.63 2.32 2.04 -0.71 -0.25 117.51 122.43 3ck6 h ILE 237 Ca 0.26 -0.80 0.13 0.00 1.00 0.00 0.00 64.86 65.44 3ck6 h ILE 237 Cb -0.09 1.71 -0.09 0.00 -0.74 0.00 0.00 36.82 37.60 3ck6 h ILE 237 CO -0.05 0.20 0.11 0.11 0.00 0.00 0.00 178.15 178.52 3ck6 h LYS 238 N -0.43 0.23 0.00 2.37 1.57 -1.07 0.24 116.57 119.48 3ck6 h LYS 238 Ca -0.01 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 3ck6 h LYS 238 Cb 0.38 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3ck6 h LYS 238 CO 0.01 0.15 -0.35 1.25 -0.57 0.00 0.00 179.45 179.94 3ck6 h HIS 239 N 0.23 0.00 0.00 -1.35 2.76 -0.80 -2.39 115.15 113.60 3ck6 h HIS 239 Ca 0.34 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.35 3ck6 h HIS 239 Cb 0.53 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 3ck6 h HIS 239 CO -0.27 0.35 -0.97 -0.97 -1.30 0.00 0.00 177.93 174.77 3ck6 h ASN 240 N 0.00 0.00 1.11 3.26 -1.24 -0.33 -3.35 115.58 115.03 3ck6 h ASN 240 Ca -0.00 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 3ck6 h ASN 240 Cb 0.84 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.87 3ck6 h ASN 240 CO 0.05 0.67 -0.94 0.03 -1.29 0.00 0.00 177.43 175.95 3ck6 h ARG 241 N 0.00 0.00 -0.37 6.67 3.08 -0.86 -3.35 114.38 119.55 3ck6 h ARG 241 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3ck6 h ARG 241 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.62 3ck6 h ARG 241 CO 0.07 0.29 0.00 -0.25 -1.07 0.00 0.00 179.97 179.01 3ck6 n ASP 242 N -2.98 2.51 -0.32 7.04 10.43 -0.91 -3.78 116.55 128.54 3ck6 n ASP 242 Ca -0.03 -1.91 0.12 0.00 2.57 0.00 0.00 54.79 55.54 3ck6 n ASP 242 Cb 0.73 -0.24 0.14 0.00 1.84 0.00 0.00 41.12 43.59 3ck6 n ASP 242 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3ck6 n GLU 243 N 0.87 0.86 0.00 -1.24 1.02 -1.26 -5.08 120.64 115.81 3ck6 n GLU 243 Ca 0.17 -0.64 0.12 0.00 -0.02 0.00 0.00 57.16 56.80 3ck6 n GLU 243 Cb 0.43 -1.49 0.17 0.00 -0.02 0.00 0.00 31.44 30.54 3ck6 n GLU 243 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94