#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 1.52 0.00 1.61 -1.74 -1.26 -4.91 117.46 112.68 3ck6 n PHE 3 Ca 0.00 -1.71 0.00 0.00 -0.56 0.00 0.00 57.45 55.18 3ck6 n PHE 3 Cb 0.00 -1.58 0.00 0.00 1.52 0.00 0.00 39.48 39.42 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 5.50 0.00 -3.67 1.97 5.41 0.58 -0.48 119.36 128.67 3ck6 n ILE 5 Ca 0.46 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 64.06 3ck6 n ILE 5 Cb 0.31 -0.02 -0.07 0.00 -0.71 0.00 0.00 39.64 39.15 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 -1.19 0.85 -0.04 0.38 2.12 -0.89 -4.99 118.70 114.94 3ck6 s GLU 6 Ca 0.00 -0.14 -0.02 0.00 0.36 0.00 0.00 54.97 55.17 3ck6 s GLU 6 Cb 0.00 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.81 3ck6 s GLU 6 CO 0.00 -0.26 0.07 -1.58 -0.54 0.00 0.00 175.26 172.95 3ck6 s HIS 7 N -1.69 0.02 0.05 5.30 5.65 -1.26 -0.50 115.29 122.86 3ck6 s HIS 7 Ca -0.10 0.28 0.05 0.00 0.25 0.00 0.00 55.06 55.54 3ck6 s HIS 7 Cb -0.03 -0.38 -0.02 0.00 -1.18 0.00 0.00 32.58 30.97 3ck6 s HIS 7 CO 0.03 -0.17 -0.14 -1.58 -0.65 0.00 0.00 174.74 172.23 3ck6 s TRP 8 N 1.87 1.22 -0.28 3.88 0.52 -0.23 -0.60 118.94 125.32 3ck6 s TRP 8 Ca 0.01 -0.37 -0.07 0.00 0.02 0.00 0.00 56.10 55.68 3ck6 s TRP 8 Cb -0.12 -0.72 -0.01 0.00 -1.15 0.00 0.00 33.47 31.48 3ck6 s TRP 8 CO -0.03 0.04 0.08 0.34 0.02 0.00 0.00 176.95 177.40 3ck6 s ASP 9 N -1.26 5.15 -0.43 2.95 2.15 0.08 -0.47 116.67 124.84 3ck6 s ASP 9 Ca 0.01 -0.49 0.05 0.00 0.43 0.00 0.00 52.55 52.54 3ck6 s ASP 9 Cb -0.08 -1.91 0.67 0.00 -0.30 0.00 0.00 42.92 41.30 3ck6 s ASP 9 CO 0.01 -0.13 1.89 0.49 -0.17 0.00 0.00 175.17 177.26 3ck6 n PHE 10 N 4.90 2.93 0.30 -5.34 3.01 0.74 -2.22 117.46 121.77 3ck6 n PHE 10 Ca -0.15 -1.77 0.16 0.00 1.01 0.00 0.00 57.45 56.70 3ck6 n PHE 10 Cb 0.49 -0.90 0.91 0.00 -0.01 0.00 0.00 39.48 39.97 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 1.18 0.00 -3.03 4.37 0.02 -1.91 -3.43 113.55 110.75 3ck6 h SER 11 Ca 0.58 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 61.04 3ck6 h SER 11 Cb 2.77 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 65.17 3ck6 h SER 11 CO 1.04 0.03 -0.64 0.42 -1.14 0.00 0.00 176.83 176.54 3ck6 s THR 12 N -4.45 1.45 -0.15 -2.27 -4.23 -1.26 -5.15 115.64 99.57 3ck6 s THR 12 Ca -0.04 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 58.39 3ck6 s THR 12 Cb 0.14 -2.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 3ck6 s THR 12 CO 0.54 -0.16 1.20 -2.65 -0.54 0.00 0.00 174.62 173.00 3ck6 n PRO 13 N -0.64 0.50 -3.73 3.99 -0.02 -1.26 -4.79 135.00 129.04 3ck6 n PRO 13 Ca -0.04 -0.52 -0.12 0.00 -2.02 0.00 0.00 63.50 60.80 3ck6 n PRO 13 Cb 0.65 -1.90 -0.11 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.73 -0.94 -0.04 3.55 0.00 -1.26 -4.49 121.76 122.30 3ck6 s ALA 15 Ca 0.11 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.27 3ck6 s ALA 15 Cb 0.04 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3ck6 s ALA 15 CO -0.01 -0.20 -0.14 0.95 0.00 0.00 0.00 175.76 176.37 3ck6 s THR 16 N 0.50 3.08 0.18 0.00 -4.23 -0.94 -4.92 115.64 109.31 3ck6 s THR 16 Ca -0.02 -0.74 -0.30 0.00 -1.18 0.00 0.00 61.69 59.45 3ck6 s THR 16 Cb -0.04 -2.21 -0.07 0.00 1.34 0.00 0.00 72.50 71.51 3ck6 s THR 16 CO -0.03 0.58 1.03 -1.58 -0.54 0.00 0.00 174.62 174.08 3ck6 s GLN 17 N -0.78 4.67 0.31 3.99 0.74 -1.26 -0.74 119.66 126.59 3ck6 s GLN 17 Ca 0.12 1.61 0.05 0.00 0.05 0.00 0.00 55.36 57.19 3ck6 s GLN 17 Cb -0.11 -3.30 -0.06 0.00 1.10 0.00 0.00 33.01 30.64 3ck6 s GLN 17 CO 0.01 0.20 0.00 -1.21 -0.55 0.00 0.00 175.29 173.74 3ck6 s GLU 18 N -0.48 1.62 0.32 1.67 0.41 0.23 -4.92 118.70 117.54 3ck6 s GLU 18 Ca 0.47 -1.86 -0.29 0.00 -0.41 0.00 0.00 54.97 52.88 3ck6 s GLU 18 Cb -0.27 -1.03 -0.12 0.00 -1.78 0.00 0.00 34.13 30.92 3ck6 s GLU 18 CO 0.33 -0.08 1.34 -2.37 -0.49 0.00 0.00 175.26 173.99 3ck6 n THR 19 N -0.65 1.73 1.77 3.63 5.66 -1.26 -4.40 114.28 120.76 3ck6 n THR 19 Ca -0.04 -0.43 0.04 0.00 -3.05 0.00 0.00 64.05 60.57 3ck6 n THR 19 Cb 0.65 -1.59 0.22 0.00 -1.55 0.00 0.00 70.33 68.06 3ck6 n THR 19 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3ck6 n THR 20 N 0.76 0.09 -1.06 1.09 -2.24 -1.26 -3.28 114.28 108.38 3ck6 n THR 20 Ca 0.06 -0.10 0.04 0.00 -2.27 0.00 0.00 64.05 61.78 3ck6 n THR 20 Cb 0.35 -0.02 0.28 0.00 -2.10 0.00 0.00 70.33 68.84 3ck6 n THR 20 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3ck6 n THR 21 N -0.36 2.51 -1.88 4.28 5.66 -1.26 -4.91 114.28 118.32 3ck6 n THR 21 Ca 0.07 -1.89 -0.42 0.00 -3.05 0.00 0.00 64.05 58.76 3ck6 n THR 21 Cb 0.09 -0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 68.55 3ck6 n THR 21 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ck6 s ALA 22 N -2.91 3.75 -0.06 1.79 0.00 -1.20 -4.91 121.76 118.21 3ck6 s ALA 22 Ca 0.47 1.33 0.14 0.00 0.00 0.00 0.00 51.96 53.89 3ck6 s ALA 22 Cb 0.38 -3.69 -0.21 0.00 0.00 0.00 0.00 23.12 19.61 3ck6 s ALA 22 CO 0.09 -1.01 0.71 -0.85 0.00 0.00 0.00 175.76 174.70 3ck6 n GLU 23 N 5.00 0.63 -4.32 0.00 0.28 -1.26 -4.93 120.64 116.04 3ck6 n GLU 23 Ca 0.16 0.28 -0.30 0.00 -0.16 0.00 0.00 57.16 57.14 3ck6 n GLU 23 Cb 0.39 -1.80 -0.11 0.00 1.43 0.00 0.00 31.44 31.35 3ck6 n GLU 23 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3ck6 s HIS 24 N -2.68 2.68 -0.11 -1.84 3.76 -1.26 -4.89 115.29 110.96 3ck6 s HIS 24 Ca -0.04 -0.18 -0.23 0.00 -0.15 0.00 0.00 55.06 54.46 3ck6 s HIS 24 Cb 0.08 -1.43 -0.03 0.00 1.11 0.00 0.00 32.58 32.31 3ck6 s HIS 24 CO 0.82 0.39 0.70 0.42 -0.85 0.00 0.00 174.74 176.23 3ck6 s ILE 25 N -1.14 5.02 0.07 0.60 1.01 -1.26 -5.07 121.20 120.43 3ck6 s ILE 25 Ca 0.19 1.42 0.09 0.00 0.00 0.00 0.00 60.65 62.36 3ck6 s ILE 25 Cb -0.11 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3ck6 s ILE 25 CO 0.11 0.19 -0.25 -1.10 0.00 0.00 0.00 174.94 173.90 3ck6 s GLN 26 N 1.21 1.73 0.45 2.79 -0.21 -1.26 -5.05 119.66 119.32 3ck6 s GLN 26 Ca 0.36 -1.17 -0.25 0.00 0.02 0.00 0.00 55.36 54.32 3ck6 s GLN 26 Cb -0.17 -2.00 -0.08 0.00 1.00 0.00 0.00 33.01 31.75 3ck6 s GLN 26 CO 0.16 0.50 1.39 -2.30 -2.12 0.00 0.00 175.29 172.92 3ck6 n PRO 27 N 1.41 2.15 -0.52 2.91 -0.02 -1.25 -2.62 135.00 137.07 3ck6 n PRO 27 Ca -0.17 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3ck6 n PRO 27 Cb 0.52 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3ck6 n PRO 27 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ck6 n ASN 28 N -0.15 0.00 -4.86 2.55 5.03 0.12 -4.88 115.26 113.07 3ck6 n ASN 28 Ca 0.06 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.17 3ck6 n ASN 28 Cb 0.41 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.12 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 -3.43 3.52 -0.16 3.10 3.76 -1.08 -0.19 115.29 120.81 3ck6 s HIS 29 Ca 0.00 0.95 -0.03 0.00 -0.15 0.00 0.00 55.06 55.83 3ck6 s HIS 29 Cb 0.00 -2.30 -0.02 0.00 1.11 0.00 0.00 32.58 31.37 3ck6 s HIS 29 CO 0.00 0.36 -0.06 -0.46 -0.85 0.00 0.00 174.74 173.73 3ck6 s TRP 30 N -1.62 2.95 -0.22 1.40 -0.00 0.37 -1.33 118.94 120.50 3ck6 s TRP 30 Ca 0.42 -0.52 -0.02 0.00 -0.00 0.00 0.00 56.10 55.98 3ck6 s TRP 30 Cb -0.13 -1.96 0.01 0.00 -0.00 0.00 0.00 33.47 31.39 3ck6 s TRP 30 CO 0.20 -0.19 -0.09 0.71 -0.00 0.00 0.00 176.95 177.58 3ck6 s TYR 31 N 0.61 2.96 -0.25 5.86 2.02 -0.16 -1.07 117.35 127.32 3ck6 s TYR 31 Ca -0.04 -1.36 -0.09 0.00 -0.37 0.00 0.00 57.07 55.21 3ck6 s TYR 31 Cb -0.15 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 3ck6 s TYR 31 CO 0.03 -0.68 0.12 -1.58 -1.57 0.00 0.00 175.55 171.86 3ck6 s HIS 32 N 1.37 3.17 0.09 2.71 2.46 0.35 -0.53 115.29 124.91 3ck6 s HIS 32 Ca 0.03 -0.11 0.05 0.00 0.47 0.00 0.00 55.06 55.50 3ck6 s HIS 32 Cb -0.15 -2.27 -0.03 0.00 -0.13 0.00 0.00 32.58 30.00 3ck6 s HIS 32 CO -0.06 -0.18 -0.13 0.00 -2.47 0.00 0.00 174.74 171.89 3ck6 s GLU 34 N -2.13 4.00 0.33 0.00 0.41 0.37 -1.43 118.70 120.24 3ck6 s GLU 34 Ca 0.02 1.13 0.01 0.00 -0.41 0.00 0.00 54.97 55.72 3ck6 s GLU 34 Cb -0.08 -3.80 0.55 0.00 -1.78 0.00 0.00 34.13 29.03 3ck6 s GLU 34 CO 0.02 -1.00 1.95 -0.09 -0.49 0.00 0.00 175.26 175.65 3ck6 h ARG 35 N 8.61 0.84 -0.07 1.61 2.43 -1.16 -3.03 114.38 123.61 3ck6 h ARG 35 Ca -0.23 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3ck6 h ARG 35 Cb 1.08 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3ck6 h ARG 35 CO 1.04 0.62 0.00 1.28 -1.51 0.00 0.00 179.97 181.40 3ck6 n LEU 36 N -4.39 2.05 -4.74 3.80 4.77 -1.26 -4.94 117.00 112.30 3ck6 n LEU 36 Ca 0.06 -0.73 -0.41 0.00 -0.03 0.00 0.00 56.01 54.90 3ck6 n LEU 36 Cb 0.10 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3ck6 n LEU 36 CO 0.37 0.36 1.04 -2.28 -1.33 0.00 0.00 177.39 175.55 3ck6 s HIS 37 N -1.93 3.14 0.55 -1.77 2.46 -1.15 -4.90 115.29 111.69 3ck6 s HIS 37 Ca 0.35 1.14 0.31 0.00 0.47 0.00 0.00 55.06 57.33 3ck6 s HIS 37 Cb 0.20 -3.70 1.48 0.00 -0.13 0.00 0.00 32.58 30.43 3ck6 s HIS 37 CO 0.31 -2.23 1.88 -1.00 -2.47 0.00 0.00 174.74 171.24 3ck6 h PRO 38 N 5.15 0.00 0.00 2.88 0.13 -1.92 -2.73 132.00 135.51 3ck6 h PRO 38 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3ck6 h PRO 38 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3ck6 h PRO 38 CO 0.77 0.00 -0.67 -0.25 -0.23 0.00 0.00 178.00 177.62 3ck6 n ASP 39 N -4.17 0.62 -0.14 1.44 8.00 -1.26 -4.42 116.55 116.62 3ck6 n ASP 39 Ca 0.17 -0.06 -0.05 0.00 0.71 0.00 0.00 54.79 55.55 3ck6 n ASP 39 Cb 0.92 0.32 0.13 0.00 -0.02 0.00 0.00 41.12 42.47 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 1.25 -0.39 0.53 2.10 -1.80 -2.90 117.51 116.30 3ck6 h ILE 40 Ca 0.00 -1.04 0.02 0.00 1.08 0.00 0.00 64.86 64.92 3ck6 h ILE 40 Cb 0.66 0.85 -0.03 0.00 -1.09 0.00 0.00 36.82 37.22 3ck6 h ILE 40 CO 0.00 0.37 0.22 -0.09 -1.08 0.00 0.00 178.15 177.57 3ck6 h ARG 41 N 0.80 0.44 -0.44 2.19 2.43 -1.80 -1.51 114.38 116.49 3ck6 h ARG 41 Ca 0.15 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3ck6 h ARG 41 Cb 0.48 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3ck6 h ARG 41 CO 0.02 0.29 0.21 0.78 -1.51 0.00 0.00 179.97 179.75 3ck6 h GLY 42 N 0.45 0.69 0.65 2.80 0.00 -1.82 -1.08 103.07 104.76 3ck6 h GLY 42 Ca 0.16 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.19 3ck6 h GLY 42 CO -0.08 0.33 0.21 -0.25 0.00 0.00 0.00 176.54 176.76 3ck6 h TRP 43 N 0.58 0.39 -0.30 5.60 7.01 -1.33 0.39 115.95 128.29 3ck6 h TRP 43 Ca 0.15 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.13 3ck6 h TRP 43 Cb 0.14 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 3ck6 h TRP 43 CO -0.01 0.17 0.00 -0.07 -2.79 0.00 0.00 178.44 175.74 3ck6 h LEU 44 N 0.42 0.52 -0.29 0.65 3.38 -1.07 -2.38 115.31 116.54 3ck6 h LEU 44 Ca 0.22 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3ck6 h LEU 44 Cb 0.18 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ck6 h LEU 44 CO -0.19 0.70 -0.33 -0.33 0.09 0.00 0.00 178.44 178.38 3ck6 h GLU 45 N 0.33 0.74 -0.96 1.13 5.08 -1.03 -1.56 114.58 118.31 3ck6 h GLU 45 Ca 0.09 -0.41 0.17 0.00 -1.00 0.00 0.00 59.36 58.21 3ck6 h GLU 45 Cb 0.43 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 3ck6 h GLU 45 CO 0.02 1.03 0.61 -0.44 -1.00 0.00 0.00 179.01 179.22 3ck6 h ASP 46 N 0.49 0.70 -0.19 1.42 3.32 -0.25 0.40 116.42 122.32 3ck6 h ASP 46 Ca 0.04 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ck6 h ASP 46 Cb 0.91 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3ck6 h ASP 46 CO 0.08 0.30 0.00 0.59 -1.72 0.00 0.00 179.24 178.49 3ck6 n ASN 47 N -4.64 2.50 -0.30 6.45 3.02 -0.90 -4.90 115.26 116.49 3ck6 n ASN 47 Ca 0.20 -2.29 -0.04 0.00 -0.03 0.00 0.00 54.58 52.42 3ck6 n ASN 47 Cb 0.54 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.20 0.00 -1.93 3.10 8.25 0.13 -4.97 115.22 120.00 3ck6 n HIS 48 Ca 0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.13 3ck6 n HIS 48 Cb 0.55 -1.41 -0.03 0.00 1.12 0.00 0.00 29.99 30.21 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 -1.81 2.94 0.53 1.59 1.01 -0.64 -4.93 120.40 119.09 3ck6 s VAL 49 Ca 0.00 0.48 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 3ck6 s VAL 49 Cb 0.00 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3ck6 s VAL 49 CO 0.00 0.01 1.34 -2.84 0.00 0.00 0.00 175.10 173.61 3ck6 s PRO 50 N 2.25 3.23 0.21 2.72 0.02 -1.26 -4.38 135.00 137.80 3ck6 s PRO 50 Ca 0.73 2.20 -0.08 0.00 0.02 0.00 0.00 61.00 63.87 3ck6 s PRO 50 Cb -0.41 -2.29 0.29 0.00 0.02 0.00 0.00 34.50 32.11 3ck6 s PRO 50 CO 0.32 -1.11 1.77 -0.09 -0.33 0.00 0.00 177.00 177.56 3ck6 h ARG 51 N 1.56 0.51 -0.41 5.54 2.43 -1.97 -0.88 114.38 121.16 3ck6 h ARG 51 Ca -0.51 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.54 3ck6 h ARG 51 Cb 1.29 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3ck6 h ARG 51 CO 0.58 0.33 -0.13 0.00 -1.51 0.00 0.00 179.97 179.24 3ck6 h ALA 52 N 1.41 1.01 -0.07 2.80 0.00 -1.99 -0.01 119.26 122.41 3ck6 h ALA 52 Ca 0.32 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3ck6 h ALA 52 Cb 0.35 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ck6 h ALA 52 CO -0.27 0.59 -0.79 1.79 0.00 0.00 0.00 179.25 180.57 3ck6 h THR 53 N 0.66 1.37 -0.60 0.00 1.35 -1.78 -2.00 112.91 111.91 3ck6 h THR 53 Ca 0.11 -2.19 0.06 0.00 -0.55 0.00 0.00 66.41 63.84 3ck6 h THR 53 Cb 0.60 2.17 -0.05 0.00 -1.73 0.00 0.00 68.15 69.13 3ck6 h THR 53 CO 0.04 0.66 0.30 0.58 -0.25 0.00 0.00 175.52 176.86 3ck6 h VAL 54 N 0.30 0.93 -0.65 6.82 2.07 -0.90 -0.43 116.25 124.39 3ck6 h VAL 54 Ca -0.05 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3ck6 h VAL 54 Cb 1.39 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3ck6 h VAL 54 CO 0.14 0.10 0.40 0.44 0.02 0.00 0.00 177.57 178.68 3ck6 h ASP 55 N 0.57 0.66 -0.32 0.57 3.32 -0.75 -0.77 116.42 119.69 3ck6 h ASP 55 Ca 0.27 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 3ck6 h ASP 55 Cb 0.21 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3ck6 h ASP 55 CO -0.20 0.46 -0.04 -0.74 -1.72 0.00 0.00 179.24 177.01 3ck6 h HIS 56 N 0.79 0.66 -0.58 4.55 2.76 -1.12 -1.86 115.15 120.36 3ck6 h HIS 56 Ca 0.26 -0.13 0.03 0.00 -2.20 0.00 0.00 60.37 58.33 3ck6 h HIS 56 Cb 0.01 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 3ck6 h HIS 56 CO -0.05 0.74 0.38 1.25 -1.30 0.00 0.00 177.93 178.96 3ck6 h LEU 57 N 0.38 0.60 -2.14 0.26 5.85 -0.65 -3.07 115.31 116.54 3ck6 h LEU 57 Ca 0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ck6 h LEU 57 Cb 0.50 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3ck6 h LEU 57 CO 0.02 0.41 0.00 0.18 -0.34 0.00 0.00 178.44 178.72 3ck6 n LEU 58 N -4.46 3.06 -4.74 2.25 4.77 -0.33 -4.90 117.00 112.64 3ck6 n LEU 58 Ca 0.07 -1.35 -0.36 0.00 -0.03 0.00 0.00 56.01 54.33 3ck6 n LEU 58 Cb 0.12 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3ck6 n LEU 58 CO 0.35 0.63 0.86 0.00 -1.33 0.00 0.00 177.39 177.90 3ck6 s ALA 59 N -1.45 2.37 0.08 -1.18 0.00 -0.70 -4.94 121.76 115.92 3ck6 s ALA 59 Ca 0.30 1.09 -0.31 0.00 0.00 0.00 0.00 51.96 53.04 3ck6 s ALA 59 Cb 0.19 -3.51 -0.17 0.00 0.00 0.00 0.00 23.12 19.63 3ck6 s ALA 59 CO 0.27 -1.54 1.63 -0.44 0.00 0.00 0.00 175.76 175.68 3ck6 h ASP 60 N 0.46 -0.76 -3.36 0.00 3.32 -1.92 -3.43 116.42 110.71 3ck6 h ASP 60 Ca -0.50 0.04 -0.55 0.00 0.02 0.00 0.00 57.03 56.04 3ck6 h ASP 60 Cb 1.32 0.22 -0.04 0.00 0.22 0.00 0.00 39.33 41.05 3ck6 h ASP 60 CO 0.53 -0.49 0.02 -1.61 -1.72 0.00 0.00 179.24 175.97 3ck6 s GLU 61 N -6.05 4.24 0.18 3.56 8.01 -1.26 -5.08 118.70 122.30 3ck6 s GLU 61 Ca -0.17 0.80 -0.22 0.00 0.01 0.00 0.00 54.97 55.39 3ck6 s GLU 61 Cb 0.04 -3.13 0.06 0.00 -4.31 0.00 0.00 34.13 26.79 3ck6 s GLU 61 CO 0.63 0.56 0.60 -1.54 0.01 0.00 0.00 175.26 175.52 3ck6 s SER 62 N -1.32 -0.47 0.04 -0.19 1.04 -1.26 -5.08 113.70 106.47 3ck6 s SER 62 Ca 0.34 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.63 3ck6 s SER 62 Cb -0.19 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 3ck6 s SER 62 CO 0.21 -1.03 -0.08 0.00 0.98 0.00 0.00 173.24 173.32 3ck6 s ARG 63 N -3.79 0.52 0.19 4.02 1.70 -1.26 -5.13 118.95 115.20 3ck6 s ARG 63 Ca 0.03 -0.74 -0.33 0.00 -0.47 0.00 0.00 55.73 54.23 3ck6 s ARG 63 Cb -0.02 -0.28 -0.14 0.00 -0.57 0.00 0.00 34.95 33.94 3ck6 s ARG 63 CO -0.09 0.05 1.40 -2.30 -1.08 0.00 0.00 175.30 173.28 3ck6 n PRO 64 N 1.50 1.83 -3.58 3.89 -0.02 -1.26 -4.81 135.00 132.56 3ck6 n PRO 64 Ca -0.23 0.65 -0.07 0.00 -2.02 0.00 0.00 63.50 61.84 3ck6 n PRO 64 Cb 0.55 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.42 -0.24 -0.07 2.55 1.04 -0.93 -4.63 113.70 111.84 3ck6 s SER 65 Ca 0.73 0.12 0.05 0.00 0.48 0.00 0.00 55.95 57.33 3ck6 s SER 65 Cb -0.72 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.61 3ck6 s SER 65 CO 0.47 -0.32 -0.21 0.12 0.98 0.00 0.00 173.24 174.27 3ck6 s PHE 66 N -2.02 2.55 -0.25 5.02 5.36 -1.26 -1.13 117.98 126.25 3ck6 s PHE 66 Ca 0.05 -0.61 -0.01 0.00 -0.96 0.00 0.00 56.93 55.41 3ck6 s PHE 66 Cb -0.01 -1.64 0.07 0.00 -0.34 0.00 0.00 43.02 41.10 3ck6 s PHE 66 CO -0.04 -0.14 0.03 -1.01 -1.46 0.00 0.00 175.22 172.59 3ck6 s HIS 67 N -0.19 1.83 0.19 10.12 3.76 -1.26 -4.99 115.29 124.76 3ck6 s HIS 67 Ca -0.02 -1.54 -0.30 0.00 -0.15 0.00 0.00 55.06 53.05 3ck6 s HIS 67 Cb -0.14 -1.52 -0.09 0.00 1.11 0.00 0.00 32.58 31.94 3ck6 s HIS 67 CO 0.03 -0.76 1.32 -1.25 -0.85 0.00 0.00 174.74 173.23 3ck6 s PRO 68 N 1.58 4.38 0.00 8.40 0.04 -1.26 -4.42 135.00 143.72 3ck6 s PRO 68 Ca 0.01 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3ck6 s PRO 68 Cb -0.18 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3ck6 s PRO 68 CO -0.13 -0.27 0.00 1.28 0.04 0.00 0.00 177.00 177.92 3ck6 n LEU 69 N 2.72 0.00 -4.77 -3.56 4.77 0.08 -4.95 117.00 111.29 3ck6 n LEU 69 Ca 0.07 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 3ck6 n LEU 69 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3ck6 n LEU 69 CO 0.58 0.00 0.89 -1.81 -1.33 0.00 0.00 177.39 175.72 3ck6 s ASP 70 N 0.74 6.04 -0.03 -1.43 1.01 -1.26 -4.54 116.67 117.20 3ck6 s ASP 70 Ca 0.00 2.47 -0.03 0.00 0.71 0.00 0.00 52.55 55.70 3ck6 s ASP 70 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3ck6 s ASP 70 CO 0.00 -1.02 0.05 0.47 0.21 0.00 0.00 175.17 174.88 3ck6 n ASP 71 N -0.44 -1.05 0.00 0.27 8.00 -1.26 -0.43 116.55 121.64 3ck6 n ASP 71 Ca 0.07 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3ck6 n ASP 71 Cb 0.46 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 1.19 0.00 -4.82 -2.24 8.00 -1.26 -4.90 116.55 112.52 3ck6 n ASP 72 Ca -0.01 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 3ck6 n ASP 72 Cb 0.10 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 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 -2.18 6.32 0.00 -2.24 0.01 0.42 -4.92 114.94 112.36 3ck6 s ASN 73 Ca 0.00 1.73 0.00 0.00 -0.71 0.00 0.00 52.86 53.88 3ck6 s ASN 73 Cb 0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 3ck6 s ASN 73 CO 0.00 -0.79 0.00 2.22 -1.51 0.00 0.00 177.10 177.02 3ck6 n PHE 74 N -1.51 0.00 0.00 2.20 1.16 -0.49 -0.74 117.46 118.08 3ck6 n PHE 74 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 3ck6 n PHE 74 Cb 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 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 -4.36 5.98 7.94 0.25 -0.38 117.00 126.42 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 -0.15 0.00 0.53 0.00 0.00 43.42 43.80 3ck6 n LEU 76 CO 0.00 0.00 -0.49 -0.63 -1.11 0.00 0.00 177.39 175.16 3ck6 s ILE 77 N 0.00 2.71 0.05 1.96 1.01 -0.28 -0.31 121.20 126.34 3ck6 s ILE 77 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.84 3ck6 s ILE 77 Cb 0.00 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 3ck6 s ILE 77 CO 0.00 0.56 -0.05 -0.76 0.00 0.00 0.00 174.94 174.69 3ck6 s LEU 78 N -0.10 2.38 0.19 2.97 1.43 -0.20 -2.20 118.68 123.15 3ck6 s LEU 78 Ca -0.03 -0.77 0.08 0.00 -1.03 0.00 0.00 54.13 52.38 3ck6 s LEU 78 Cb -0.14 0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 3ck6 s LEU 78 CO 0.04 -0.41 -0.01 -0.13 0.23 0.00 0.00 176.35 176.07 3ck6 s ARG 79 N -2.73 2.35 0.17 1.70 1.81 -1.26 -0.03 118.95 120.95 3ck6 s ARG 79 Ca -0.02 -1.18 -0.02 0.00 -1.72 0.00 0.00 55.73 52.79 3ck6 s ARG 79 Cb -0.01 -2.30 -0.04 0.00 -0.45 0.00 0.00 34.95 32.15 3ck6 s ARG 79 CO -0.04 0.44 0.12 0.20 -0.68 0.00 0.00 175.30 175.34 3ck6 s GLY 80 N -3.06 1.12 0.29 -3.53 0.00 -0.19 -4.91 107.32 97.03 3ck6 s GLY 80 Ca 0.28 -1.50 -0.29 0.00 0.00 0.00 0.00 44.72 43.21 3ck6 s GLY 80 CO 0.18 -1.30 1.13 -0.42 0.00 0.00 0.00 173.10 172.69 3ck6 s ILE 81 N -4.09 3.36 0.62 0.90 -1.09 -1.26 -1.24 121.20 118.39 3ck6 s ILE 81 Ca 0.30 1.35 -0.08 0.00 -2.23 0.00 0.00 60.65 59.99 3ck6 s ILE 81 Cb 0.07 -3.86 -0.00 0.00 -1.58 0.00 0.00 42.46 37.09 3ck6 s ILE 81 CO 0.06 0.31 0.96 0.21 -1.23 0.00 0.00 174.94 175.26 3ck6 s ASN 82 N -0.84 5.72 0.02 3.58 3.84 -0.69 -4.69 114.94 121.89 3ck6 s ASN 82 Ca 0.46 0.97 0.00 0.00 0.21 0.00 0.00 52.86 54.49 3ck6 s ASN 82 Cb -0.33 -1.95 0.00 0.00 -0.55 0.00 0.00 41.25 38.42 3ck6 s ASN 82 CO 0.43 -1.06 0.00 0.59 -2.79 0.00 0.00 177.10 174.27 3ck6 n ASN 84 N -2.69 -0.31 -4.77 -4.21 3.02 -1.26 -3.83 115.26 101.20 3ck6 n ASN 84 Ca 0.05 0.06 -0.40 0.00 -0.03 0.00 0.00 54.58 54.26 3ck6 n ASN 84 Cb 0.57 0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 39.99 3ck6 n ASN 84 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ck6 s GLU 85 N -3.53 4.10 -1.64 3.52 2.02 -1.26 -2.75 118.70 119.17 3ck6 s GLU 85 Ca 0.00 2.19 -0.02 0.00 0.02 0.00 0.00 54.97 57.16 3ck6 s GLU 85 Cb 0.00 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.37 3ck6 s GLU 85 CO 0.00 -0.39 0.21 0.09 0.02 0.00 0.00 175.26 175.19 3ck6 n ASN 86 N 0.36 -5.75 -4.56 -0.19 4.13 -1.26 -5.00 115.26 102.98 3ck6 n ASN 86 Ca 0.02 -0.10 -0.26 0.00 1.68 0.00 0.00 54.58 55.92 3ck6 n ASN 86 Cb 0.43 -4.74 -0.09 0.00 -1.54 0.00 0.00 39.78 33.83 3ck6 n ASN 86 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ck6 s ALA 87 N -3.05 2.93 -0.23 5.41 0.00 -1.11 -5.10 121.76 120.60 3ck6 s ALA 87 Ca 0.11 -1.52 -0.25 0.00 0.00 0.00 0.00 51.96 50.30 3ck6 s ALA 87 Cb -0.05 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 3ck6 s ALA 87 CO 0.14 0.44 0.85 -1.12 0.00 0.00 0.00 175.76 176.06 3ck6 s SER 88 N -2.93 6.87 0.39 0.00 0.01 -1.26 -4.93 113.70 111.85 3ck6 s SER 88 Ca 0.25 1.08 0.06 0.00 1.31 0.00 0.00 55.95 58.65 3ck6 s SER 88 Cb -0.08 -2.45 0.78 0.00 0.21 0.00 0.00 66.02 64.48 3ck6 s SER 88 CO 0.15 -0.52 2.02 -0.65 0.41 0.00 0.00 173.24 174.65 3ck6 h PRO 89 N 7.62 0.58 0.00 12.44 0.11 -1.95 -1.01 132.00 149.80 3ck6 h PRO 89 Ca -0.23 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ck6 h PRO 89 Cb 1.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3ck6 h PRO 89 CO 0.88 0.42 0.00 -0.85 -0.21 0.00 0.00 178.00 178.24 3ck6 n GLU 90 N -4.43 0.30 -2.75 1.05 0.00 -1.26 -1.70 120.64 111.85 3ck6 n GLU 90 Ca 0.03 0.02 -0.42 0.00 0.00 0.00 0.00 57.16 56.80 3ck6 n GLU 90 Cb 0.09 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.00 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 -2.68 7.28 0.15 -1.84 2.15 -0.38 -4.65 116.67 116.70 3ck6 s ASP 91 Ca 0.23 1.55 0.09 0.00 0.43 0.00 0.00 52.55 54.86 3ck6 s ASP 91 Cb 0.18 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.22 3ck6 s ASP 91 CO 0.44 -0.30 -0.21 -1.48 -0.17 0.00 0.00 175.17 173.46 3ck6 s LEU 93 N 1.31 2.39 -0.13 -1.34 0.05 -0.37 -4.38 118.68 116.21 3ck6 s LEU 93 Ca 0.49 -0.81 0.00 0.00 0.05 0.00 0.00 54.13 53.86 3ck6 s LEU 93 Cb -0.20 -0.94 -0.01 0.00 -2.05 0.00 0.00 46.19 43.00 3ck6 s LEU 93 CO 0.24 0.03 -0.15 -0.55 -0.55 0.00 0.00 176.35 175.37 3ck6 s SER 94 N -2.43 3.80 -0.20 1.48 0.15 -1.26 -1.02 113.70 114.22 3ck6 s SER 94 Ca 0.14 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.36 3ck6 s SER 94 Cb -0.08 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.65 3ck6 s SER 94 CO 0.07 0.14 -0.04 -0.63 1.20 0.00 0.00 173.24 173.98 3ck6 s ILE 95 N 0.49 3.56 -0.19 6.45 -1.09 0.95 -4.43 121.20 126.94 3ck6 s ILE 95 Ca -0.10 -0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 57.86 3ck6 s ILE 95 Cb -0.16 -2.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.13 3ck6 s ILE 95 CO 0.05 0.44 -0.12 -0.13 -1.23 0.00 0.00 174.94 173.95 3ck6 s ARG 96 N 1.09 3.21 -0.04 2.79 0.52 -0.96 -1.03 118.95 124.53 3ck6 s ARG 96 Ca 0.01 -0.72 0.07 0.00 -0.52 0.00 0.00 55.73 54.57 3ck6 s ARG 96 Cb -0.15 -2.79 -0.02 0.00 0.52 0.00 0.00 34.95 32.52 3ck6 s ARG 96 CO 0.00 -0.17 -0.25 0.42 0.02 0.00 0.00 175.30 175.33 3ck6 s ILE 97 N 1.30 2.10 -0.09 1.52 1.01 0.58 -0.75 121.20 126.88 3ck6 s ILE 97 Ca 0.04 -1.07 0.04 0.00 0.00 0.00 0.00 60.65 59.66 3ck6 s ILE 97 Cb -0.14 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 3ck6 s ILE 97 CO -0.06 0.57 -0.23 -0.22 0.00 0.00 0.00 174.94 175.00 3ck6 s LEU 98 N -0.36 2.03 -0.36 2.97 2.96 0.14 -0.59 118.68 125.47 3ck6 s LEU 98 Ca 0.03 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 3ck6 s LEU 98 Cb -0.12 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.27 3ck6 s LEU 98 CO 0.02 0.16 0.19 -0.47 -1.32 0.00 0.00 176.35 174.93 3ck6 s TYR 99 N 0.26 3.23 -0.05 5.38 5.04 0.48 -0.48 117.35 131.22 3ck6 s TYR 99 Ca -0.15 -0.95 -0.02 0.00 -2.44 0.00 0.00 57.07 53.51 3ck6 s TYR 99 Cb -0.17 -2.41 0.04 0.00 0.35 0.00 0.00 41.96 39.77 3ck6 s TYR 99 CO 0.07 -0.62 0.09 0.12 -1.34 0.00 0.00 175.55 173.87 3ck6 s PHE 100 N 1.55 -0.04 -1.67 4.97 5.36 0.03 -1.39 117.98 126.79 3ck6 s PHE 100 Ca 0.02 0.34 -0.15 0.00 -0.96 0.00 0.00 56.93 56.18 3ck6 s PHE 100 Cb -0.19 -0.30 0.13 0.00 -0.34 0.00 0.00 43.02 42.32 3ck6 s PHE 100 CO 0.06 -0.18 0.68 1.04 -1.46 0.00 0.00 175.22 175.37 3ck6 n GLN 101 N 4.84 -2.93 -0.96 10.12 1.13 -1.26 -1.08 117.38 127.24 3ck6 n GLN 101 Ca -0.14 0.35 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 3ck6 n GLN 101 Cb 0.50 -4.92 0.00 0.00 0.11 0.00 0.00 30.24 25.93 3ck6 n GLN 101 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ck6 n GLY 102 N -1.52 0.84 3.69 1.08 0.00 -1.26 -3.86 105.19 104.16 3ck6 n GLY 102 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.35 3.29 -0.22 4.61 0.00 -0.24 0.10 121.76 125.95 3ck6 s ALA 103 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.77 3ck6 s ALA 103 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 3ck6 s ALA 103 CO 0.00 0.70 0.06 -0.51 0.00 0.00 0.00 175.76 176.02 3ck6 s LEU 104 N -2.31 3.56 -0.20 0.00 1.43 -0.44 -0.79 118.68 119.92 3ck6 s LEU 104 Ca 0.26 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3ck6 s LEU 104 Cb -0.12 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.20 3ck6 s LEU 104 CO 0.18 0.04 -0.17 -0.63 0.23 0.00 0.00 176.35 176.00 3ck6 s ILE 105 N 1.17 2.19 0.06 -0.59 1.01 0.37 -0.99 121.20 124.43 3ck6 s ILE 105 Ca 0.04 -1.02 0.06 0.00 0.00 0.00 0.00 60.65 59.74 3ck6 s ILE 105 Cb -0.14 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3ck6 s ILE 105 CO 0.03 0.44 -0.11 -0.94 0.00 0.00 0.00 174.94 174.36 3ck6 s SER 106 N 1.28 4.35 0.02 3.58 1.04 0.31 0.26 113.70 124.53 3ck6 s SER 106 Ca 0.03 -0.32 0.05 0.00 0.48 0.00 0.00 55.95 56.18 3ck6 s SER 106 Cb -0.14 -0.87 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 3ck6 s SER 106 CO -0.11 0.22 -0.14 0.42 0.98 0.00 0.00 173.24 174.61 3ck6 s THR 107 N -1.09 1.11 0.04 2.02 -4.23 0.07 -0.26 115.64 113.30 3ck6 s THR 107 Ca 0.19 -0.82 -0.03 0.00 -1.18 0.00 0.00 61.69 59.84 3ck6 s THR 107 Cb -0.11 -0.97 -0.02 0.00 1.34 0.00 0.00 72.50 72.74 3ck6 s THR 107 CO 0.10 0.14 0.04 0.00 -0.54 0.00 0.00 174.62 174.37 3ck6 s ARG 108 N -0.78 0.58 0.11 3.99 1.04 -0.51 -2.26 118.95 121.12 3ck6 s ARG 108 Ca 0.03 -0.91 0.00 0.00 -1.04 0.00 0.00 55.73 53.81 3ck6 s ARG 108 Cb -0.07 0.22 0.00 0.00 -2.04 0.00 0.00 34.95 33.06 3ck6 s ARG 108 CO 0.00 -0.13 0.00 1.17 -0.04 0.00 0.00 175.30 176.30 3ck6 n LYS 109 N 0.57 0.00 -2.63 3.89 4.81 -1.26 -0.55 118.16 122.99 3ck6 n LYS 109 Ca -0.18 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.84 3ck6 n LYS 109 Cb 0.59 -0.18 -0.02 0.00 0.02 0.00 0.00 35.03 35.44 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 -1.59 4.63 0.43 3.15 1.01 -1.26 -5.00 121.20 122.58 3ck6 s ILE 110 Ca 0.00 1.97 -0.26 0.00 0.00 0.00 0.00 60.65 62.36 3ck6 s ILE 110 Cb 0.00 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.12 3ck6 s ILE 110 CO 0.00 -0.16 1.40 -2.84 0.00 0.00 0.00 174.94 173.34 3ck6 s PRO 111 N 3.12 3.79 -0.23 2.79 0.02 -1.26 -4.79 135.00 138.44 3ck6 s PRO 111 Ca 0.46 2.36 -0.09 0.00 0.02 0.00 0.00 61.00 63.74 3ck6 s PRO 111 Cb -0.16 -2.70 -0.04 0.00 0.02 0.00 0.00 34.50 31.61 3ck6 s PRO 111 CO 0.08 -0.71 0.12 0.45 -0.33 0.00 0.00 177.00 176.62 3ck6 s SER 112 N -0.55 5.78 0.22 2.53 0.15 -1.26 -4.79 113.70 115.78 3ck6 s SER 112 Ca 0.59 0.02 -0.07 0.00 0.70 0.00 0.00 55.95 57.19 3ck6 s SER 112 Cb -0.42 -2.03 0.18 0.00 -1.71 0.00 0.00 66.02 62.04 3ck6 s SER 112 CO 0.55 0.06 1.82 -0.09 1.20 0.00 0.00 173.24 176.78 3ck6 h ARG 113 N 7.58 1.22 -0.65 5.44 9.65 -1.95 -3.03 114.38 132.64 3ck6 h ARG 113 Ca -0.37 -0.17 0.02 0.00 -1.10 0.00 0.00 59.98 58.36 3ck6 h ARG 113 Cb 1.17 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 29.49 3ck6 h ARG 113 CO 0.64 0.93 0.41 0.00 2.80 0.00 0.00 179.97 184.74 3ck6 h ALA 114 N 1.23 0.84 0.00 2.80 0.00 -1.95 -1.88 119.26 120.31 3ck6 h ALA 114 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ck6 h ALA 114 Cb 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ck6 h ALA 114 CO -0.04 0.18 0.00 -0.89 0.00 0.00 0.00 179.25 178.50 3ck6 n ILE 115 N -4.69 0.61 0.00 0.00 5.41 -1.15 -2.16 119.36 117.39 3ck6 n ILE 115 Ca 0.06 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3ck6 n ILE 115 Cb 0.07 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.04 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 1.30 0.00 -0.15 0.38 1.02 -0.71 -1.18 120.64 121.31 3ck6 n GLU 117 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 3ck6 n GLU 117 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 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 1.18 -0.78 -3.67 2.04 -1.72 -1.18 117.51 113.38 3ck6 h ILE 118 Ca 0.00 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3ck6 h ILE 118 Cb 0.00 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3ck6 h ILE 118 CO 0.00 0.19 0.43 0.03 0.00 0.00 0.00 178.15 178.80 3ck6 h ARG 119 N 0.55 1.09 -0.43 2.37 3.08 -1.44 -0.72 114.38 118.88 3ck6 h ARG 119 Ca 0.15 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3ck6 h ARG 119 Cb 0.11 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3ck6 h ARG 119 CO -0.02 0.81 0.11 1.96 -1.07 0.00 0.00 179.97 181.76 3ck6 h GLN 120 N 1.08 0.69 -0.63 0.04 4.20 -1.77 -1.58 115.11 117.14 3ck6 h GLN 120 Ca 0.27 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.86 3ck6 h GLN 120 Cb 0.04 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3ck6 h GLN 120 CO -0.04 0.69 0.38 0.00 -0.67 0.00 0.00 178.83 179.18 3ck6 h ALA 121 N 0.97 0.82 -0.71 3.87 0.00 -0.78 -1.87 119.26 121.56 3ck6 h ALA 121 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ck6 h ALA 121 Cb 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3ck6 h ALA 121 CO 0.00 0.10 0.41 -0.07 0.00 0.00 0.00 179.25 179.69 3ck6 h LEU 122 N 0.73 0.88 -1.78 0.00 3.38 -0.97 -0.02 115.31 117.52 3ck6 h LEU 122 Ca 0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3ck6 h LEU 122 Cb 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3ck6 h LEU 122 CO -0.12 0.71 -0.13 0.00 0.09 0.00 0.00 178.44 178.98 3ck6 h ALA 123 N 1.21 1.69 -0.60 1.53 0.00 -0.93 -2.28 119.26 119.88 3ck6 h ALA 123 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ck6 h ALA 123 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ck6 h ALA 123 CO -0.04 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.76 3ck6 n GLU 124 N -4.25 2.54 -2.42 0.00 1.02 -0.74 -4.95 120.64 111.84 3ck6 n GLU 124 Ca -0.03 -2.38 -0.16 0.00 -0.02 0.00 0.00 57.16 54.57 3ck6 n GLU 124 Cb 0.21 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.46 -0.93 -2.31 -0.32 8.25 -0.76 -4.90 115.22 115.71 3ck6 n HIS 125 Ca 0.22 0.09 0.01 0.00 -0.26 0.00 0.00 57.72 57.78 3ck6 n HIS 125 Cb 0.58 -3.40 0.07 0.00 1.12 0.00 0.00 29.99 28.36 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 -2.71 1.04 -1.13 -0.41 2.85 -0.09 -5.03 118.16 112.68 3ck6 n LYS 126 Ca -0.17 -2.80 -0.10 0.00 -1.05 0.00 0.00 58.31 54.19 3ck6 n LYS 126 Cb 0.63 -0.90 0.06 0.00 -0.65 0.00 0.00 35.03 34.17 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 -0.20 -0.04 3.62 2.58 0.00 -1.01 -4.76 105.19 105.37 3ck6 n GLY 127 Ca 0.13 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 3ck6 n GLY 127 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ck6 n PRO 128 N -1.86 0.91 0.00 1.61 -0.04 -1.26 -4.93 135.00 129.43 3ck6 n PRO 128 Ca 0.06 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 3ck6 n PRO 128 Cb 0.23 -2.17 0.21 0.00 -0.04 0.00 0.00 33.50 31.72 3ck6 n PRO 128 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ck6 n LYS 129 N -1.01 1.25 -3.81 0.54 4.76 -1.26 -4.68 118.16 113.95 3ck6 n LYS 129 Ca 0.14 -0.91 -0.06 0.00 -2.87 0.00 0.00 58.31 54.60 3ck6 n LYS 129 Cb 0.47 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 32.16 3ck6 n LYS 129 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ck6 s SER 130 N -2.38 -0.24 0.24 4.39 1.04 -1.26 -4.03 113.70 111.47 3ck6 s SER 130 Ca 0.24 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 56.11 3ck6 s SER 130 Cb 0.19 0.64 0.28 0.00 0.10 0.00 0.00 66.02 67.22 3ck6 s SER 130 CO 0.49 -1.17 1.75 -0.07 0.98 0.00 0.00 173.24 175.22 3ck6 h LEU 131 N 2.00 0.86 -0.48 2.42 3.38 -1.88 0.44 115.31 122.06 3ck6 h LEU 131 Ca -0.21 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.60 3ck6 h LEU 131 Cb 1.24 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3ck6 h LEU 131 CO 0.24 0.89 0.24 0.00 0.09 0.00 0.00 178.44 179.90 3ck6 h ALA 132 N 1.22 0.60 -0.24 1.53 0.00 -1.95 -1.38 119.26 119.03 3ck6 h ALA 132 Ca 0.17 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 3ck6 h ALA 132 Cb 0.41 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ck6 h ALA 132 CO 0.01 -0.10 -0.54 1.03 0.00 0.00 0.00 179.25 179.65 3ck6 h SER 133 N 0.48 0.80 -0.28 0.00 0.87 -1.83 -2.47 113.55 111.12 3ck6 h SER 133 Ca 0.21 -0.42 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 3ck6 h SER 133 Cb 0.10 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3ck6 h SER 133 CO -0.14 1.18 0.13 0.25 -0.53 0.00 0.00 176.83 177.72 3ck6 h LEU 134 N 0.55 0.18 -0.62 2.23 5.85 -0.65 -0.84 115.31 122.01 3ck6 h LEU 134 Ca 0.01 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ck6 h LEU 134 Cb 1.11 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3ck6 h LEU 134 CO 0.11 0.14 0.34 0.25 -0.34 0.00 0.00 178.44 178.94 3ck6 h LEU 135 N 0.28 0.78 -0.67 2.25 5.85 -1.23 -0.47 115.31 122.09 3ck6 h LEU 135 Ca 0.12 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.85 3ck6 h LEU 135 Cb 0.05 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.80 3ck6 h LEU 135 CO -0.09 0.65 0.27 -1.13 -0.34 0.00 0.00 178.44 177.80 3ck6 h ASN 136 N 0.84 0.29 0.16 1.25 -0.00 -1.22 -1.88 115.58 115.03 3ck6 h ASN 136 Ca 0.22 0.08 -0.14 0.00 -0.00 0.00 0.00 56.30 56.46 3ck6 h ASN 136 Cb 0.04 0.05 -0.01 0.00 -0.00 0.00 0.00 38.32 38.40 3ck6 h ASN 136 CO -0.04 0.16 -0.51 1.56 -0.00 0.00 0.00 177.43 178.60 3ck6 h GLN 137 N 0.46 0.39 -0.00 6.67 4.20 -0.60 -0.85 115.11 125.39 3ck6 h GLN 137 Ca 0.34 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 3ck6 h GLN 137 Cb 0.44 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3ck6 h GLN 137 CO -0.32 0.81 0.00 0.82 -0.67 0.00 0.00 178.83 179.47 3ck6 h ILE 138 N 0.31 1.06 -0.11 2.54 2.04 -0.82 0.14 117.51 122.67 3ck6 h ILE 138 Ca 0.01 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3ck6 h ILE 138 Cb 1.01 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3ck6 h ILE 138 CO 0.09 0.05 -0.03 0.40 0.00 0.00 0.00 178.15 178.66 3ck6 h ILE 139 N -0.08 0.88 -0.08 -0.67 2.04 -1.20 -1.99 117.51 116.41 3ck6 h ILE 139 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 3ck6 h ILE 139 Cb 0.08 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3ck6 h ILE 139 CO -0.00 0.00 -0.46 -0.33 0.00 0.00 0.00 178.15 177.36 3ck6 h GLU 140 N -0.00 0.20 -0.13 2.37 4.39 -1.15 -1.87 114.58 118.38 3ck6 h GLU 140 Ca 0.05 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3ck6 h GLU 140 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3ck6 h GLU 140 CO -0.12 0.62 -0.02 0.78 -1.16 0.00 0.00 179.01 179.11 3ck6 h GLY 141 N 1.31 0.26 0.59 -3.84 0.00 -0.49 -0.47 103.07 100.42 3ck6 h GLY 141 Ca 0.01 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.20 3ck6 h GLY 141 CO 0.07 0.19 0.19 1.41 0.00 0.00 0.00 176.54 178.40 3ck6 h LEU 142 N -0.05 0.22 -0.69 3.11 3.38 -1.31 -1.72 115.31 118.25 3ck6 h LEU 142 Ca 0.03 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.16 3ck6 h LEU 142 Cb 0.41 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 3ck6 h LEU 142 CO 0.01 0.16 0.30 0.78 0.09 0.00 0.00 178.44 179.78 3ck6 h ASN 143 N 0.38 0.33 -0.76 -0.43 2.35 -1.22 -1.81 115.58 114.42 3ck6 h ASN 143 Ca 0.23 0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 56.00 3ck6 h ASN 143 Cb 0.21 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 3ck6 h ASN 143 CO -0.21 0.18 0.26 1.23 -1.65 0.00 0.00 177.43 177.23 3ck6 h GLY 144 N 0.49 1.26 1.70 2.83 0.00 -0.49 -1.07 103.07 107.80 3ck6 h GLY 144 Ca 0.36 -0.73 -0.18 0.00 0.00 0.00 0.00 47.33 46.77 3ck6 h GLY 144 CO -0.32 0.69 -0.76 0.50 0.00 0.00 0.00 176.54 176.65 3ck6 h LYS 145 N 1.13 0.29 -0.31 4.80 1.79 -1.02 -2.24 116.57 121.02 3ck6 h LYS 145 Ca 0.25 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ck6 h LYS 145 Cb 0.29 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 3ck6 h LYS 145 CO -0.01 0.92 0.20 0.82 -1.08 0.00 0.00 179.45 180.30 3ck6 h ILE 146 N 0.19 1.08 -0.82 1.86 2.04 -1.06 -1.85 117.51 118.94 3ck6 h ILE 146 Ca -0.03 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.79 3ck6 h ILE 146 Cb 1.34 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 3ck6 h ILE 146 CO 0.12 0.08 0.45 0.44 0.00 0.00 0.00 178.15 179.23 3ck6 h ASP 147 N 0.41 0.60 -0.38 1.72 3.32 -1.03 0.40 116.42 121.45 3ck6 h ASP 147 Ca 0.11 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3ck6 h ASP 147 Cb -0.05 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3ck6 h ASP 147 CO -0.02 0.31 0.09 -0.07 -1.72 0.00 0.00 179.24 177.82 3ck6 h LEU 148 N 0.71 0.59 -0.65 1.55 3.38 -1.04 -1.60 115.31 118.25 3ck6 h LEU 148 Ca 0.41 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3ck6 h LEU 148 Cb 0.47 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3ck6 h LEU 148 CO -0.29 0.67 0.38 0.22 0.09 0.00 0.00 178.44 179.52 3ck6 h TYR 149 N 0.47 0.86 -0.27 1.13 3.20 -0.94 -2.72 116.97 118.70 3ck6 h TYR 149 Ca 0.12 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3ck6 h TYR 149 Cb 0.32 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3ck6 h TYR 149 CO 0.02 0.59 0.09 -0.07 -1.64 0.00 0.00 178.16 177.15 3ck6 h LEU 150 N 0.88 0.33 -1.29 2.82 3.38 -0.60 -1.65 115.31 119.19 3ck6 h LEU 150 Ca 0.23 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.21 3ck6 h LEU 150 Cb -0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3ck6 h LEU 150 CO -0.04 0.32 0.50 0.44 0.09 0.00 0.00 178.44 179.75 3ck6 h ASP 151 N 0.37 0.80 -0.13 -0.43 3.32 -0.98 -0.17 116.42 119.21 3ck6 h ASP 151 Ca 0.09 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3ck6 h ASP 151 Cb 0.10 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3ck6 h ASP 151 CO -0.01 0.55 -0.29 0.71 -1.72 0.00 0.00 179.24 178.48 3ck6 h THR 152 N 0.93 1.28 -0.25 0.35 1.35 -1.23 -2.00 112.91 113.34 3ck6 h THR 152 Ca 0.31 -1.39 -0.04 0.00 -0.55 0.00 0.00 66.41 64.74 3ck6 h THR 152 Cb 0.06 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 3ck6 h THR 152 CO -0.09 0.45 -0.00 0.40 -0.25 0.00 0.00 175.52 176.02 3ck6 h ILE 153 N 0.52 1.26 -1.00 6.82 2.04 -1.24 -2.69 117.51 123.22 3ck6 h ILE 153 Ca 0.07 -0.91 0.11 0.00 1.00 0.00 0.00 64.86 65.12 3ck6 h ILE 153 Cb 0.77 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 38.13 3ck6 h ILE 153 CO 0.06 0.29 0.64 -0.08 0.00 0.00 0.00 178.15 179.06 3ck6 h GLU 154 N 0.21 1.01 -0.57 2.37 4.81 -0.92 0.11 114.58 121.61 3ck6 h GLU 154 Ca 0.07 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3ck6 h GLU 154 Cb 0.42 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3ck6 h GLU 154 CO 0.01 0.67 0.33 1.49 -0.73 0.00 0.00 179.01 180.79 3ck6 h GLU 155 N 1.04 0.79 -0.63 1.92 4.81 -1.25 0.13 114.58 121.40 3ck6 h GLU 155 Ca 0.48 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 3ck6 h GLU 155 Cb 0.40 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3ck6 h GLU 155 CO -0.24 0.58 0.28 1.15 -0.73 0.00 0.00 179.01 180.05 3ck6 h THR 156 N 0.77 1.23 -0.45 0.32 2.02 -1.01 -2.58 112.91 113.21 3ck6 h THR 156 Ca 0.20 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 3ck6 h THR 156 Cb 0.01 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3ck6 h THR 156 CO -0.04 0.27 0.07 -0.07 0.37 0.00 0.00 175.52 176.12 3ck6 h LEU 157 N 0.87 0.72 -0.56 2.58 4.07 -0.66 -2.70 115.31 119.64 3ck6 h LEU 157 Ca 0.21 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3ck6 h LEU 157 Cb 0.16 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.71 3ck6 h LEU 157 CO -0.02 0.80 0.00 0.59 -1.08 0.00 0.00 178.44 178.73 3ck6 n ASN 158 N -4.46 0.38 0.12 -0.43 3.02 0.43 -2.14 115.26 112.18 3ck6 n ASN 158 Ca 0.00 0.62 0.09 0.00 -0.03 0.00 0.00 54.58 55.26 3ck6 n ASN 158 Cb 0.25 -0.69 0.03 0.00 -0.61 0.00 0.00 39.78 38.75 3ck6 n ASN 158 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3ck6 h GLU 159 N 0.00 0.00 -6.04 3.52 5.08 -1.12 -3.47 114.58 112.55 3ck6 h GLU 159 Ca 0.00 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.62 3ck6 h GLU 159 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3ck6 h GLU 159 CO 0.00 0.09 1.17 1.19 -1.00 0.00 0.00 179.01 180.46 3ck6 n PHE 160 N -2.86 1.64 -3.84 4.33 3.72 -0.91 -4.84 117.46 114.70 3ck6 n PHE 160 Ca -0.01 0.57 -0.28 0.00 -0.05 0.00 0.00 57.45 57.69 3ck6 n PHE 160 Cb 0.61 -2.42 -0.16 0.00 -0.94 0.00 0.00 39.48 36.57 3ck6 n PHE 160 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ck6 s ASP 161 N 5.43 2.84 0.42 4.37 3.68 -1.26 -5.04 116.67 127.12 3ck6 s ASP 161 Ca 1.09 -0.71 0.09 0.00 2.13 0.00 0.00 52.55 55.15 3ck6 s ASP 161 Cb -1.16 -0.80 0.92 0.00 -1.45 0.00 0.00 42.92 40.44 3ck6 s ASP 161 CO 0.62 -0.23 2.05 1.62 0.13 0.00 0.00 175.17 179.36 3ck6 h VAL 162 N 6.45 1.05 -0.01 1.11 3.04 -1.96 -0.34 116.25 125.60 3ck6 h VAL 162 Ca -0.20 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3ck6 h VAL 162 Cb 1.11 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 3ck6 h VAL 162 CO 0.37 0.09 0.00 0.59 -1.01 0.00 0.00 177.57 177.61 3ck6 n ASN 163 N -4.48 0.53 -3.87 3.17 3.02 -1.26 -4.57 115.26 107.80 3ck6 n ASN 163 Ca 0.04 -1.18 -0.30 0.00 -0.03 0.00 0.00 54.58 53.11 3ck6 n ASN 163 Cb 0.13 -0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.15 3ck6 n ASN 163 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ck6 s ASP 164 N -2.00 4.27 0.33 6.41 -1.08 -0.14 -5.00 116.67 119.47 3ck6 s ASP 164 Ca 0.44 -1.76 0.25 0.00 -0.52 0.00 0.00 52.55 50.96 3ck6 s ASP 164 Cb 0.22 -1.19 1.15 0.00 -1.46 0.00 0.00 42.92 41.64 3ck6 s ASP 164 CO 0.36 -0.38 1.76 -0.33 0.52 0.00 0.00 175.17 177.10 3ck6 h GLU 165 N 7.89 0.00 0.00 4.34 3.07 -1.81 -2.31 114.58 125.76 3ck6 h GLU 165 Ca -0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3ck6 h GLU 165 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3ck6 h GLU 165 CO 0.48 0.00 0.00 0.45 -1.40 0.00 0.00 179.01 178.54 3ck6 n SER 166 N -2.37 0.71 -1.45 1.42 2.88 -1.26 -2.88 113.62 110.67 3ck6 n SER 166 Ca 0.01 0.63 0.11 0.00 -1.33 0.00 0.00 58.87 58.29 3ck6 n SER 166 Cb 0.17 -0.80 0.34 0.00 -0.75 0.00 0.00 64.21 63.17 3ck6 n SER 166 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3ck6 n THR 167 N -2.23 1.28 -1.53 2.46 -2.24 -0.87 -4.74 114.28 106.41 3ck6 n THR 167 Ca 0.03 -1.07 -0.39 0.00 -2.27 0.00 0.00 64.05 60.35 3ck6 n THR 167 Cb 0.30 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.50 2.50 -0.56 4.78 4.02 -1.14 -4.38 117.16 123.88 3ck6 n TYR 168 Ca 0.25 -3.01 0.07 0.00 -0.01 0.00 0.00 57.90 55.20 3ck6 n TYR 168 Cb 0.72 -2.30 0.35 0.00 -0.02 0.00 0.00 39.34 38.08 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 3.09 4.86 -0.10 7.72 3.02 -1.26 -4.60 115.26 127.99 3ck6 n ASN 169 Ca 0.73 -2.65 0.05 0.00 -0.03 0.00 0.00 54.58 52.68 3ck6 n ASN 169 Cb 0.24 -0.62 0.38 0.00 -0.61 0.00 0.00 39.78 39.17 3ck6 n ASN 169 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 3ck6 h HIS 170 N 3.63 0.66 -0.19 3.10 2.07 -1.95 -2.43 115.15 120.04 3ck6 h HIS 170 Ca 0.00 0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.50 3ck6 h HIS 170 Cb 1.62 -0.22 -0.01 0.00 2.57 0.00 0.00 27.41 31.37 3ck6 h HIS 170 CO 0.86 0.39 -0.04 0.82 -3.07 0.00 0.00 177.93 176.89 3ck6 h ILE 171 N 0.68 1.28 -0.53 6.12 2.04 -1.98 -1.24 117.51 123.89 3ck6 h ILE 171 Ca 0.23 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 65.11 3ck6 h ILE 171 Cb 0.08 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 3ck6 h ILE 171 CO -0.06 0.30 0.31 0.00 0.00 0.00 0.00 178.15 178.70 3ck6 h ALA 172 N 0.73 0.67 -0.48 1.87 0.00 -1.86 -1.13 119.26 119.07 3ck6 h ALA 172 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ck6 h ALA 172 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ck6 h ALA 172 CO 0.02 0.02 0.19 0.00 0.00 0.00 0.00 179.25 179.48 3ck6 h ALA 173 N 1.23 0.63 -0.42 0.00 0.00 -1.40 -1.31 119.26 117.99 3ck6 h ALA 173 Ca 0.21 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ck6 h ALA 173 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3ck6 h ALA 173 CO -0.10 0.23 0.24 0.37 0.00 0.00 0.00 179.25 179.99 3ck6 h GLN 174 N 0.64 0.46 -0.23 0.00 5.75 -1.01 0.15 115.11 120.88 3ck6 h GLN 174 Ca 0.16 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.67 3ck6 h GLN 174 Cb 0.19 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 3ck6 h GLN 174 CO -0.01 0.31 -0.02 -0.22 -2.65 0.00 0.00 178.83 176.23 3ck6 h LYS 175 N 0.48 0.04 -0.42 1.69 3.11 -1.02 -1.22 116.57 119.23 3ck6 h LYS 175 Ca 0.17 -0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.03 3ck6 h LYS 175 Cb 0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.22 3ck6 h LYS 175 CO -0.09 0.03 0.23 0.00 -2.81 0.00 0.00 179.45 176.81 3ck6 h ALA 176 N 1.21 0.52 -0.28 5.00 0.00 -0.80 -2.44 119.26 122.48 3ck6 h ALA 176 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ck6 h ALA 176 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ck6 h ALA 176 CO -0.20 -0.11 0.10 -0.07 0.00 0.00 0.00 179.25 178.97 3ck6 h LEU 177 N 0.47 0.39 -1.07 0.00 3.38 -0.67 -2.25 115.31 115.56 3ck6 h LEU 177 Ca 0.17 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3ck6 h LEU 177 Cb 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3ck6 h LEU 177 CO -0.09 0.47 0.13 0.16 0.09 0.00 0.00 178.44 179.19 3ck6 h ILE 178 N 0.29 1.22 -0.87 1.22 3.07 -1.19 0.05 117.51 121.31 3ck6 h ILE 178 Ca 0.09 -0.79 -0.00 0.00 1.55 0.00 0.00 64.86 65.71 3ck6 h ILE 178 Cb 0.21 0.69 -0.04 0.00 -0.27 0.00 0.00 36.82 37.40 3ck6 h ILE 178 CO -0.01 0.29 0.52 0.28 -1.05 0.00 0.00 178.15 178.19 3ck6 h SER 179 N 0.76 1.04 -0.15 2.16 0.02 -1.22 -1.96 113.55 114.20 3ck6 h SER 179 Ca 0.17 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 3ck6 h SER 179 Cb 0.28 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3ck6 h SER 179 CO -0.00 0.80 -0.43 0.40 -1.14 0.00 0.00 176.83 176.46 3ck6 h ILE 180 N 1.19 1.35 -0.95 3.27 1.08 -1.23 -3.29 117.51 118.94 3ck6 h ILE 180 Ca 0.31 -1.70 0.04 0.00 -0.39 0.00 0.00 64.86 63.12 3ck6 h ILE 180 Cb -0.05 2.01 -0.06 0.00 -3.07 0.00 0.00 36.82 35.66 3ck6 h ILE 180 CO -0.06 0.52 0.62 0.50 -0.69 0.00 0.00 178.15 179.04 3ck6 h LYS 181 N 0.20 1.15 -0.99 2.37 3.64 -0.75 -0.44 116.57 121.75 3ck6 h LYS 181 Ca -0.01 -0.07 0.36 0.00 -1.27 0.00 0.00 60.65 59.66 3ck6 h LYS 181 Cb 1.04 -0.26 -0.18 0.00 -0.41 0.00 0.00 32.23 32.43 3ck6 h LYS 181 CO 0.09 0.76 0.38 -0.09 -2.27 0.00 0.00 179.45 178.33 3ck6 h ARG 182 N 1.19 0.04 0.00 1.90 2.43 -1.42 -2.40 114.38 116.11 3ck6 h ARG 182 Ca 0.38 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.35 3ck6 h ARG 182 Cb 0.03 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3ck6 h ARG 182 CO -0.12 0.03 -1.86 1.19 -1.51 0.00 0.00 179.97 177.69 3ck6 n PHE 183 N -5.31 0.00 0.10 2.20 3.72 -0.70 -4.51 117.46 112.96 3ck6 n PHE 183 Ca 0.33 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.68 3ck6 n PHE 183 Cb 1.09 -0.60 0.07 0.00 -0.94 0.00 0.00 39.48 39.10 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 1.49 0.17 4.37 2.04 -0.92 -0.56 117.51 124.10 3ck6 h ILE 184 Ca -0.30 -2.44 -0.01 0.00 1.00 0.00 0.00 64.86 63.11 3ck6 h ILE 184 Cb 1.63 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 3ck6 h ILE 184 CO 0.02 0.70 -0.08 -0.09 0.00 0.00 0.00 178.15 178.70 3ck6 h ARG 185 N 0.06 -0.22 -0.56 2.37 2.43 -1.67 -2.56 114.38 114.22 3ck6 h ARG 185 Ca -0.02 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 3ck6 h ARG 185 Cb 1.31 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.88 3ck6 h ARG 185 CO 0.10 -0.01 0.39 -1.35 -1.51 0.00 0.00 179.97 177.59 3ck6 h PRO 186 N -0.41 0.24 -0.56 0.20 0.11 -1.77 -2.56 132.00 127.25 3ck6 h PRO 186 Ca -0.02 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.10 3ck6 h PRO 186 Cb 0.32 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 3ck6 h PRO 186 CO 0.04 0.16 0.34 0.37 -0.21 0.00 0.00 178.00 178.70 3ck6 h GLN 187 N 0.25 0.65 -0.35 1.05 5.75 -0.82 -0.99 115.11 120.65 3ck6 h GLN 187 Ca 0.27 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.76 3ck6 h GLN 187 Cb 0.72 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 3ck6 h GLN 187 CO -0.05 0.43 0.14 0.37 -2.65 0.00 0.00 178.83 177.07 3ck6 h GLN 188 N 0.67 0.30 -0.31 1.69 4.15 -1.06 -1.57 115.11 118.98 3ck6 h GLN 188 Ca 0.23 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.55 3ck6 h GLN 188 Cb 0.02 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 3ck6 h GLN 188 CO -0.10 0.20 -0.15 1.88 -1.93 0.00 0.00 178.83 178.73 3ck6 h TYR 189 N 0.31 0.60 -0.15 3.99 0.99 -1.43 -1.23 116.97 120.05 3ck6 h TYR 189 Ca 0.15 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 3ck6 h TYR 189 Cb 0.10 -0.16 -0.01 0.00 1.00 0.00 0.00 36.73 37.67 3ck6 h TYR 189 CO -0.12 0.68 0.08 0.00 -0.00 0.00 0.00 178.16 178.80 3ck6 h ALA 190 N 1.34 0.19 -0.58 3.88 0.00 -0.84 0.78 119.26 124.03 3ck6 h ALA 190 Ca 0.09 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3ck6 h ALA 190 Cb 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3ck6 h ALA 190 CO 0.04 -0.28 0.02 0.82 0.00 0.00 0.00 179.25 179.85 3ck6 h ILE 191 N 0.14 1.26 -0.07 0.00 2.04 -1.17 -0.37 117.51 119.34 3ck6 h ILE 191 Ca 0.05 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.86 3ck6 h ILE 191 Cb 0.07 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3ck6 h ILE 191 CO -0.01 0.39 -0.11 -0.09 0.00 0.00 0.00 178.15 178.34 3ck6 h ARG 192 N 0.90 -0.14 -0.75 2.37 2.43 -1.04 -2.30 114.38 115.85 3ck6 h ARG 192 Ca 0.17 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3ck6 h ARG 192 Cb 0.50 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 3ck6 h ARG 192 CO 0.02 -0.10 0.33 -0.44 -1.51 0.00 0.00 179.97 178.28 3ck6 h ASP 193 N -0.15 1.01 -0.32 -3.80 3.32 -0.49 -1.32 116.42 114.66 3ck6 h ASP 193 Ca 0.06 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.02 3ck6 h ASP 193 Cb 0.24 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 3ck6 h ASP 193 CO -0.16 0.88 -0.08 0.25 -1.72 0.00 0.00 179.24 178.41 3ck6 h LEU 194 N 1.07 -0.30 -0.08 1.55 5.85 -0.95 -1.47 115.31 120.98 3ck6 h LEU 194 Ca 0.25 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 3ck6 h LEU 194 Cb 0.17 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3ck6 h LEU 194 CO -0.03 -0.11 0.05 0.40 -0.34 0.00 0.00 178.44 178.42 3ck6 h ILE 195 N -0.00 1.05 0.00 4.05 2.04 -0.94 -2.51 117.51 121.20 3ck6 h ILE 195 Ca 0.15 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3ck6 h ILE 195 Cb 0.23 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3ck6 h ILE 195 CO -0.33 0.05 0.00 -0.33 0.00 0.00 0.00 178.15 177.54 3ck6 h GLU 196 N 0.08 0.00 0.00 2.37 5.08 -0.99 -2.32 114.58 118.80 3ck6 h GLU 196 Ca 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3ck6 h GLU 196 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3ck6 h GLU 196 CO -0.01 0.00 -0.20 0.66 -1.00 0.00 0.00 179.01 178.46 3ck6 h SER 197 N 0.00 0.00 -3.34 1.42 4.64 -0.80 -3.47 113.55 111.99 3ck6 h SER 197 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3ck6 h SER 197 Cb 0.12 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3ck6 h SER 197 CO 0.00 0.20 -0.52 -0.62 -0.87 0.00 0.00 176.83 175.03 3ck6 n GLU 198 N -3.38 -2.90 -1.68 4.77 1.02 -0.87 -4.96 120.64 112.64 3ck6 n GLU 198 Ca 0.00 0.87 -0.44 0.00 -0.02 0.00 0.00 57.16 57.58 3ck6 n GLU 198 Cb 0.41 -5.48 -0.02 0.00 -0.02 0.00 0.00 31.44 26.33 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 -1.84 2.67 -0.38 1.62 2.88 -1.26 -4.72 113.62 112.58 3ck6 n SER 199 Ca -0.17 1.17 0.37 0.00 -1.33 0.00 0.00 58.87 58.92 3ck6 n SER 199 Cb 0.64 -1.44 0.75 0.00 -0.75 0.00 0.00 64.21 63.40 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 3.34 0.03 0.00 -1.46 4.11 -1.93 0.27 114.58 118.93 3ck6 h GLU 200 Ca -0.45 -0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.91 3ck6 h GLU 200 Cb 1.28 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3ck6 h GLU 200 CO 0.69 0.02 -0.32 -0.07 0.07 0.00 0.00 179.01 179.39 3ck6 h LEU 201 N 0.03 0.00 0.04 3.06 3.38 -1.96 -2.77 115.31 117.08 3ck6 h LEU 201 Ca 0.63 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.32 3ck6 h LEU 201 Cb 2.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 43.17 3ck6 h LEU 201 CO -0.04 0.32 -1.49 0.58 0.09 0.00 0.00 178.44 177.91 3ck6 h VAL 202 N 0.00 0.82 0.00 1.22 2.07 -0.92 -3.37 116.25 116.08 3ck6 h VAL 202 Ca -0.00 -2.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.29 3ck6 h VAL 202 Cb 0.70 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3ck6 h VAL 202 CO 0.04 0.48 -0.01 0.71 0.02 0.00 0.00 177.57 178.82 3ck6 h THR 203 N -0.68 0.04 0.00 2.57 1.35 -1.01 0.74 112.91 115.91 3ck6 h THR 203 Ca -0.37 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3ck6 h THR 203 Cb 1.53 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3ck6 h THR 203 CO -0.12 0.01 0.00 0.77 -0.25 0.00 0.00 175.52 175.93 3ck6 h SER 204 N 0.00 0.00 -1.85 5.36 4.64 -1.67 -3.36 113.55 116.67 3ck6 h SER 204 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3ck6 h SER 204 Cb 0.28 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.97 3ck6 h SER 204 CO 0.00 0.00 -1.05 0.54 -0.87 0.00 0.00 176.83 175.45 3ck6 n ARG 205 N -2.79 1.63 -0.07 4.77 1.74 0.20 -5.01 116.66 117.12 3ck6 n ARG 205 Ca 0.04 -3.74 -0.11 0.00 -0.77 0.00 0.00 57.85 53.28 3ck6 n ARG 205 Cb 0.48 -1.77 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 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 2.97 0.36 -0.58 5.56 0.13 -1.56 -2.32 132.00 136.55 3ck6 h PRO 206 Ca 0.08 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 3ck6 h PRO 206 Cb 0.91 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 3ck6 h PRO 206 CO 0.59 0.43 0.20 0.45 -0.23 0.00 0.00 178.00 179.44 3ck6 h HIS 207 N 0.22 0.92 -0.65 1.56 3.86 -1.95 -2.18 115.15 116.93 3ck6 h HIS 207 Ca 0.08 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 3ck6 h HIS 207 Cb 0.21 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 3ck6 h HIS 207 CO -0.00 0.76 0.22 1.96 0.86 0.00 0.00 177.93 181.72 3ck6 h GLN 208 N 0.81 0.99 -0.24 2.45 7.50 -1.93 -1.41 115.11 123.29 3ck6 h GLN 208 Ca 0.19 -0.20 -0.10 0.00 0.50 0.00 0.00 58.65 59.03 3ck6 h GLN 208 Cb 0.26 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 3ck6 h GLN 208 CO -0.01 0.86 -0.30 1.88 -1.50 0.00 0.00 178.83 179.76 3ck6 h TYR 209 N 0.93 0.54 -0.64 2.96 -1.99 -1.31 -1.90 116.97 115.56 3ck6 h TYR 209 Ca 0.21 -0.13 -0.04 0.00 2.00 0.00 0.00 58.73 60.77 3ck6 h TYR 209 Cb 0.27 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.84 3ck6 h TYR 209 CO 0.02 0.72 0.23 0.00 -0.00 0.00 0.00 178.16 179.13 3ck6 h ARG 210 N 0.41 0.95 -0.68 4.88 2.47 -1.01 -0.67 114.38 120.72 3ck6 h ARG 210 Ca 0.05 -0.17 -0.05 0.00 -1.26 0.00 0.00 59.98 58.56 3ck6 h ARG 210 Cb 0.73 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 3ck6 h ARG 210 CO 0.06 0.79 0.22 0.74 0.56 0.00 0.00 179.97 182.34 3ck6 h PHE 211 N 0.93 1.09 -0.64 3.04 0.04 -0.98 -1.20 116.94 119.22 3ck6 h PHE 211 Ca 0.21 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 3ck6 h PHE 211 Cb 0.22 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 3ck6 h PHE 211 CO 0.02 0.87 0.39 0.00 -0.60 0.00 0.00 178.31 178.99 3ck6 h ALA 212 N 1.10 0.81 -0.62 2.45 0.00 -0.96 -0.74 119.26 121.30 3ck6 h ALA 212 Ca 0.22 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3ck6 h ALA 212 Cb 0.28 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ck6 h ALA 212 CO -0.01 0.29 0.16 1.25 0.00 0.00 0.00 179.25 180.94 3ck6 h HIS 213 N 0.87 1.02 -0.75 0.00 -0.00 -0.97 -2.14 115.15 113.19 3ck6 h HIS 213 Ca 0.23 -0.12 0.05 0.00 -0.00 0.00 0.00 60.37 60.53 3ck6 h HIS 213 Cb -0.03 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.04 3ck6 h HIS 213 CO -0.02 0.86 0.45 -0.97 -0.00 0.00 0.00 177.93 178.25 3ck6 h ASN 214 N 0.90 0.71 -0.34 3.26 -1.24 -0.76 -1.31 115.58 116.80 3ck6 h ASN 214 Ca 0.20 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.20 3ck6 h ASN 214 Cb 0.34 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 3ck6 h ASN 214 CO -0.00 0.47 0.13 0.78 -1.29 0.00 0.00 177.43 177.52 3ck6 h ASN 215 N 0.85 0.47 -0.18 1.15 2.35 -0.91 -1.01 115.58 118.30 3ck6 h ASN 215 Ca 0.32 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3ck6 h ASN 215 Cb 0.12 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3ck6 h ASN 215 CO -0.15 0.52 -0.03 -0.29 -1.65 0.00 0.00 177.43 175.82 3ck6 h ILE 216 N 0.39 1.19 -0.36 2.81 6.09 -1.17 -0.10 117.51 126.37 3ck6 h ILE 216 Ca 0.11 -0.79 -0.05 0.00 -1.37 0.00 0.00 64.86 62.76 3ck6 h ILE 216 Cb 0.20 1.00 -0.01 0.00 0.47 0.00 0.00 36.82 38.47 3ck6 h ILE 216 CO -0.01 0.27 0.03 0.74 -3.07 0.00 0.00 178.15 176.11 3ck6 h THR 217 N 0.45 1.25 -0.48 2.19 2.02 -1.03 -2.17 112.91 115.15 3ck6 h THR 217 Ca 0.10 -0.92 0.02 0.00 0.77 0.00 0.00 66.41 66.38 3ck6 h THR 217 Cb 0.34 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3ck6 h THR 217 CO 0.01 0.31 0.30 -0.09 0.37 0.00 0.00 175.52 176.42 3ck6 h ARG 218 N 0.44 0.58 -0.52 6.66 2.43 -0.81 -1.07 114.38 122.09 3ck6 h ARG 218 Ca 0.11 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 3ck6 h ARG 218 Cb 0.41 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 3ck6 h ARG 218 CO 0.01 0.38 0.19 0.82 -1.51 0.00 0.00 179.97 179.87 3ck6 h ILE 219 N 0.59 0.82 -0.64 1.20 2.04 -0.84 0.11 117.51 120.79 3ck6 h ILE 219 Ca 0.19 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3ck6 h ILE 219 Cb -0.01 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 3ck6 h ILE 219 CO -0.07 0.07 0.34 0.78 0.00 0.00 0.00 178.15 179.27 3ck6 h ASN 220 N 0.37 0.81 -0.16 1.72 2.35 -0.89 -1.34 115.58 118.44 3ck6 h ASN 220 Ca 0.25 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 3ck6 h ASN 220 Cb 0.27 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3ck6 h ASN 220 CO -0.25 0.68 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.74 3ck6 h GLU 221 N 0.88 0.54 -0.38 0.81 5.08 -0.65 -1.90 114.58 118.96 3ck6 h GLU 221 Ca 0.23 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 3ck6 h GLU 221 Cb 0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3ck6 h GLU 221 CO -0.03 0.68 -0.07 1.15 -1.00 0.00 0.00 179.01 179.74 3ck6 h THR 222 N 0.50 1.27 -0.43 1.13 2.02 -0.49 -1.52 112.91 115.40 3ck6 h THR 222 Ca 0.09 -1.13 0.04 0.00 0.77 0.00 0.00 66.41 66.18 3ck6 h THR 222 Cb 0.55 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 3ck6 h THR 222 CO 0.03 0.38 0.20 0.40 0.37 0.00 0.00 175.52 176.91 3ck6 h ILE 223 N 0.53 0.95 -0.64 3.11 2.04 -1.01 -0.04 117.51 122.45 3ck6 h ILE 223 Ca 0.10 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.86 3ck6 h ILE 223 Cb 0.57 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3ck6 h ILE 223 CO 0.03 0.08 0.37 -0.33 0.00 0.00 0.00 178.15 178.30 3ck6 h GLU 224 N 0.41 0.68 -0.42 2.37 4.39 -1.26 0.04 114.58 120.80 3ck6 h GLU 224 Ca 0.19 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 3ck6 h GLU 224 Cb 0.11 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3ck6 h GLU 224 CO -0.14 0.45 0.20 0.35 -1.16 0.00 0.00 179.01 178.71 3ck6 h PHE 225 N 0.70 0.60 -0.71 4.33 3.57 -0.90 -1.57 116.94 122.96 3ck6 h PHE 225 Ca 0.28 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 3ck6 h PHE 225 Cb 0.12 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3ck6 h PHE 225 CO -0.07 0.50 0.30 1.88 -2.23 0.00 0.00 178.31 178.69 3ck6 h TYR 226 N 0.53 1.05 -0.67 0.41 0.05 -0.58 -0.11 116.97 117.66 3ck6 h TYR 226 Ca 0.14 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 3ck6 h TYR 226 Cb 0.12 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 3ck6 h TYR 226 CO -0.01 0.79 0.28 -0.07 -1.05 0.00 0.00 178.16 178.09 3ck6 h LEU 227 N 1.02 0.89 -0.77 3.88 3.38 -0.83 -1.50 115.31 121.38 3ck6 h LEU 227 Ca 0.24 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3ck6 h LEU 227 Cb 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3ck6 h LEU 227 CO -0.02 0.79 0.31 1.23 0.09 0.00 0.00 178.44 180.84 3ck6 h GLY 228 N 1.04 1.24 1.03 0.83 0.00 -0.35 -2.04 103.07 104.83 3ck6 h GLY 228 Ca 0.23 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 3ck6 h GLY 228 CO -0.02 0.63 0.27 0.83 0.00 0.00 0.00 176.54 178.25 3ck6 h GLU 229 N 1.12 1.09 -0.20 4.80 5.08 -0.55 -1.04 114.58 124.87 3ck6 h GLU 229 Ca 0.26 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ck6 h GLU 229 Cb 0.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3ck6 h GLU 229 CO -0.02 0.91 0.12 0.28 -1.00 0.00 0.00 179.01 179.30 3ck6 h VAL 230 N 1.04 1.08 -0.78 3.13 2.07 -1.10 -1.02 116.25 120.67 3ck6 h VAL 230 Ca 0.24 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3ck6 h VAL 230 Cb 0.24 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3ck6 h VAL 230 CO -0.02 0.08 0.48 0.00 0.02 0.00 0.00 177.57 178.13 3ck6 h ALA 231 N 1.03 1.06 -0.45 1.67 0.00 -1.19 -0.88 119.26 120.50 3ck6 h ALA 231 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ck6 h ALA 231 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ck6 h ALA 231 CO -0.01 0.21 0.14 1.25 0.00 0.00 0.00 179.25 180.84 3ck6 h LEU 232 N 0.88 0.65 -1.09 0.00 5.85 -0.97 -2.43 115.31 118.21 3ck6 h LEU 232 Ca 0.34 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3ck6 h LEU 232 Cb 0.14 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3ck6 h LEU 232 CO -0.16 0.68 0.18 0.15 -0.34 0.00 0.00 178.44 178.95 3ck6 h PHE 233 N 0.59 0.84 -0.66 1.25 3.57 -0.71 -0.70 116.94 121.11 3ck6 h PHE 233 Ca 0.15 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3ck6 h PHE 233 Cb 0.26 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3ck6 h PHE 233 CO 0.01 0.68 0.41 1.96 -2.23 0.00 0.00 178.31 179.14 3ck6 h GLN 234 N 0.81 0.89 -0.24 1.11 4.20 -0.90 -0.92 115.11 120.07 3ck6 h GLN 234 Ca 0.19 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 3ck6 h GLN 234 Cb 0.23 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3ck6 h GLN 234 CO -0.01 0.63 -0.41 -0.44 -0.67 0.00 0.00 178.83 177.93 3ck6 h ASP 235 N 0.90 0.60 -0.09 1.46 3.45 -1.12 -2.21 116.42 119.41 3ck6 h ASP 235 Ca 0.24 -0.27 -0.02 0.00 0.43 0.00 0.00 57.03 57.41 3ck6 h ASP 235 Cb -0.05 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 3ck6 h ASP 235 CO -0.05 0.94 0.01 -0.08 -1.57 0.00 0.00 179.24 178.50 3ck6 h GLU 236 N 0.46 0.23 -0.15 3.56 4.81 -0.76 0.15 114.58 122.89 3ck6 h GLU 236 Ca 0.04 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3ck6 h GLU 236 Cb 0.91 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3ck6 h GLU 236 CO 0.08 0.25 -0.39 0.82 -0.73 0.00 0.00 179.01 179.04 3ck6 h ILE 237 N 0.23 1.35 -0.52 2.32 2.04 -0.95 -1.67 117.51 120.32 3ck6 h ILE 237 Ca 0.06 -1.67 0.06 0.00 1.00 0.00 0.00 64.86 64.31 3ck6 h ILE 237 Cb 0.14 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 3ck6 h ILE 237 CO 0.00 0.50 0.22 0.11 0.00 0.00 0.00 178.15 178.98 3ck6 h LYS 238 N 0.16 0.41 -0.01 2.37 1.57 -0.89 -1.45 116.57 118.72 3ck6 h LYS 238 Ca -0.01 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3ck6 h LYS 238 Cb 1.01 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3ck6 h LYS 238 CO 0.08 0.27 -0.30 0.45 -0.57 0.00 0.00 179.45 179.39 3ck6 h HIS 239 N 0.42 0.03 0.00 -1.35 3.86 -0.70 -2.84 115.15 114.56 3ck6 h HIS 239 Ca 0.24 -0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.27 3ck6 h HIS 239 Cb 0.22 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 3ck6 h HIS 239 CO -0.14 0.32 -0.83 -0.97 0.86 0.00 0.00 177.93 177.18 3ck6 h ASN 240 N 0.02 0.00 0.37 2.45 -0.73 -0.93 -2.44 115.58 114.33 3ck6 h ASN 240 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3ck6 h ASN 240 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.13 3ck6 h ASN 240 CO 0.04 0.83 0.00 0.54 -0.37 0.00 0.00 177.43 178.47 3ck6 n ARG 241 N -3.41 0.39 -0.04 6.67 3.00 -0.58 -3.92 116.66 118.77 3ck6 n ARG 241 Ca 0.00 0.06 -0.09 0.00 -0.01 0.00 0.00 57.85 57.81 3ck6 n ARG 241 Cb 0.83 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.76 3ck6 n ARG 241 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3ck6 n ASP 242 N -1.24 0.90 0.00 0.55 10.43 -1.21 -5.10 116.55 120.88 3ck6 n ASP 242 Ca 0.12 0.09 0.00 0.00 2.57 0.00 0.00 54.79 57.57 3ck6 n ASP 242 Cb 0.17 -0.23 0.00 0.00 1.84 0.00 0.00 41.12 42.90 3ck6 n ASP 242 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29