#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6f s SER 2 N 0.00 1.33 -0.36 1.61 0.01 -1.26 -4.99 113.70 110.04 1x6f s SER 2 Ca 0.00 0.79 0.06 0.00 1.31 0.00 0.00 55.95 58.11 1x6f s SER 2 Cb 0.00 -1.17 0.45 0.00 0.21 0.00 0.00 66.02 65.51 1x6f s SER 2 CO 0.00 -3.89 1.26 -0.24 0.41 0.00 0.00 173.24 170.78 1x6f n SER 3 N -4.63 5.16 -0.13 2.44 2.88 -1.26 -5.09 113.62 113.00 1x6f n SER 3 Ca 0.11 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.90 1x6f n SER 3 Cb 0.59 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1x6f n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6f n GLY 4 N -0.68 -1.84 3.43 0.46 0.00 -1.26 -5.02 105.19 100.28 1x6f n GLY 4 Ca 0.45 -1.35 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 1x6f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6f s SER 5 N -4.00 -0.52 0.70 1.61 0.01 -1.26 -5.18 113.70 105.06 1x6f s SER 5 Ca 0.00 0.28 -0.06 0.00 1.31 0.00 0.00 55.95 57.48 1x6f s SER 5 Cb 0.00 0.53 0.07 0.00 0.21 0.00 0.00 66.02 66.83 1x6f s SER 5 CO 0.00 -0.74 1.00 -0.44 0.41 0.00 0.00 173.24 173.46 1x6f s SER 6 N -1.94 4.75 0.00 2.44 0.01 -1.26 -5.05 113.70 112.66 1x6f s SER 6 Ca -0.05 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1x6f s SER 6 Cb -0.01 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.27 1x6f s SER 6 CO -0.01 -1.62 0.00 0.61 0.41 0.00 0.00 173.24 172.63 1x6f n GLY 7 N -2.88 2.21 1.46 3.44 0.00 -1.26 -5.13 105.19 103.04 1x6f n GLY 7 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1x6f n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x6f n LEU 8 N 0.00 0.38 -4.82 0.99 4.77 -1.26 -5.12 117.00 111.94 1x6f n LEU 8 Ca 0.00 0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 55.98 1x6f n LEU 8 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1x6f n LEU 8 CO 0.00 -0.70 -0.09 -0.54 -1.33 0.00 0.00 177.39 174.74 1x6f s LYS 9 N -1.70 2.54 -0.59 3.23 1.02 -1.26 -5.09 119.74 117.88 1x6f s LYS 9 Ca 0.00 -1.48 0.04 0.00 0.02 0.00 0.00 55.97 54.55 1x6f s LYS 9 Cb 0.00 -2.33 0.15 0.00 -0.52 0.00 0.00 37.83 35.13 1x6f s LYS 9 CO 0.00 -0.02 0.36 -0.98 -0.92 0.00 0.00 175.35 173.79 1x6f s ARG 10 N -4.00 2.19 -0.52 1.68 1.70 -1.26 -5.05 118.95 113.69 1x6f s ARG 10 Ca 0.43 -2.88 -0.16 0.00 -0.47 0.00 0.00 55.73 52.65 1x6f s ARG 10 Cb -0.03 -3.39 0.10 0.00 -0.57 0.00 0.00 34.95 31.06 1x6f s ARG 10 CO 0.26 -1.17 0.50 -0.51 -1.08 0.00 0.00 175.30 173.29 1x6f s ASP 11 N -0.64 6.18 0.22 -2.89 1.11 -1.26 -5.02 116.67 114.38 1x6f s ASP 11 Ca 0.20 -1.54 -0.13 0.00 0.18 0.00 0.00 52.55 51.26 1x6f s ASP 11 Cb -0.18 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.59 1x6f s ASP 11 CO -0.06 -0.82 0.46 -0.36 1.18 0.00 0.00 175.17 175.57 1x6f s PHE 12 N 1.81 0.26 -0.30 4.23 0.40 -1.26 -5.17 117.98 117.95 1x6f s PHE 12 Ca 0.05 -0.62 -0.17 0.00 -0.60 0.00 0.00 56.93 55.59 1x6f s PHE 12 Cb -0.27 0.20 0.18 0.00 0.51 0.00 0.00 43.02 43.65 1x6f s PHE 12 CO 0.05 -0.94 1.13 -1.50 0.70 0.00 0.00 175.22 174.67 1x6f s ILE 13 N -3.98 -0.28 0.08 0.64 1.10 -1.26 -5.18 121.20 112.32 1x6f s ILE 13 Ca 0.19 0.00 -0.01 0.00 -0.51 0.00 0.00 60.65 60.32 1x6f s ILE 13 Cb -0.00 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.57 1x6f s ILE 13 CO 0.05 0.00 -0.01 -0.63 -2.11 0.00 0.00 174.94 172.24 1x6f s ILE 14 N 2.34 0.25 -0.99 2.00 1.01 -1.26 -4.90 121.20 119.65 1x6f s ILE 14 Ca -0.01 -1.85 -0.02 0.00 0.00 0.00 0.00 60.65 58.77 1x6f s ILE 14 Cb -0.04 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1x6f s ILE 14 CO -0.16 -0.84 0.84 0.18 0.00 0.00 0.00 174.94 174.96 1x6f n LEU 15 N 0.03 -3.47 -2.53 2.97 4.32 -1.26 -4.96 117.00 112.10 1x6f n LEU 15 Ca -0.11 -0.47 -0.10 0.00 -0.02 0.00 0.00 56.01 55.30 1x6f n LEU 15 Cb 0.62 -2.57 0.04 0.00 -1.62 0.00 0.00 43.42 39.89 1x6f n LEU 15 CO 0.29 0.37 0.06 0.61 -1.22 0.00 0.00 177.39 177.49 1x6f n GLY 16 N -1.28 3.51 3.83 -0.72 0.00 -1.26 -5.08 105.19 104.19 1x6f n GLY 16 Ca -0.16 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.10 1x6f n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x6f s ASN 17 N -3.68 -0.11 0.00 1.61 -0.87 -1.26 -5.13 114.94 105.50 1x6f s ASN 17 Ca 0.36 -0.81 0.00 0.00 -1.57 0.00 0.00 52.86 50.85 1x6f s ASN 17 Cb 0.36 0.72 0.00 0.00 -0.02 0.00 0.00 41.25 42.31 1x6f s ASN 17 CO -0.01 -1.38 0.00 0.61 -2.57 0.00 0.00 177.10 173.74 1x6f n GLY 18 N -0.52 1.54 3.57 0.66 0.00 -1.26 -4.99 105.19 104.19 1x6f n GLY 18 Ca -0.06 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 1x6f n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6f s PRO 19 N -0.40 2.53 0.08 1.61 0.04 -1.26 -4.78 135.00 132.82 1x6f s PRO 19 Ca 0.00 -0.69 -0.19 0.00 0.04 0.00 0.00 61.00 60.16 1x6f s PRO 19 Cb 0.00 -5.15 -0.08 0.00 0.04 0.00 0.00 34.50 29.31 1x6f s PRO 19 CO 0.00 -3.64 1.55 0.00 0.04 0.00 0.00 177.00 174.95 1x6f h ARG 20 N 10.58 0.39 -1.28 4.56 -0.00 -2.07 -3.46 114.38 123.10 1x6f h ARG 20 Ca 0.15 -0.11 0.15 0.00 -0.50 0.00 0.00 59.98 59.67 1x6f h ARG 20 Cb 0.97 -0.04 -0.30 0.00 0.00 0.00 0.00 29.97 30.60 1x6f h ARG 20 CO 1.22 0.53 0.69 -0.48 0.00 0.00 0.00 179.97 181.93 1x6f s LEU 21 N -9.59 -0.22 -0.16 3.04 2.34 -1.26 -5.16 118.68 107.67 1x6f s LEU 21 Ca -0.14 0.41 -0.04 0.00 0.06 0.00 0.00 54.13 54.42 1x6f s LEU 21 Cb 0.07 1.40 0.08 0.00 -0.56 0.00 0.00 46.19 47.18 1x6f s LEU 21 CO 0.73 -0.07 0.24 -1.10 -1.06 0.00 0.00 176.35 175.10 1x6f s GLN 22 N 0.31 0.16 0.33 1.48 1.11 -1.26 -5.14 119.66 116.65 1x6f s GLN 22 Ca 0.03 0.52 -0.29 0.00 0.01 0.00 0.00 55.36 55.63 1x6f s GLN 22 Cb -0.05 -0.52 -0.10 0.00 -1.01 0.00 0.00 33.01 31.33 1x6f s GLN 22 CO -0.12 -0.45 1.32 0.54 0.01 0.00 0.00 175.29 176.59 1x6f s ASN 23 N 2.38 6.75 0.29 5.90 4.22 -1.26 -4.97 114.94 128.25 1x6f s ASN 23 Ca 0.04 2.70 -0.29 0.00 -2.14 0.00 0.00 52.86 53.17 1x6f s ASN 23 Cb -0.14 -2.65 -0.10 0.00 1.28 0.00 0.00 41.25 39.65 1x6f s ASN 23 CO -0.10 -0.55 1.18 -0.94 -2.04 0.00 0.00 177.10 174.65 1x6f s SER 24 N -0.46 7.08 -0.04 3.54 1.04 -1.26 -5.04 113.70 118.56 1x6f s SER 24 Ca 0.49 2.41 0.02 0.00 0.48 0.00 0.00 55.95 59.34 1x6f s SER 24 Cb -0.40 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.06 1x6f s SER 24 CO 0.53 -0.30 -0.07 0.42 0.98 0.00 0.00 173.24 174.81 1x6f s THR 25 N -1.03 3.69 -0.36 2.02 -4.23 -1.26 -4.52 115.64 109.95 1x6f s THR 25 Ca 0.47 -0.57 -0.18 0.00 -1.18 0.00 0.00 61.69 60.23 1x6f s THR 25 Cb -0.35 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1x6f s THR 25 CO 0.44 0.53 0.49 -0.31 -0.54 0.00 0.00 174.62 175.23 1x6f s TYR 26 N -0.87 3.17 -0.76 3.99 1.51 0.11 -4.82 117.35 119.69 1x6f s TYR 26 Ca 0.14 0.06 -0.27 0.00 -1.01 0.00 0.00 57.07 55.99 1x6f s TYR 26 Cb -0.11 -2.91 0.03 0.00 -0.11 0.00 0.00 41.96 38.86 1x6f s TYR 26 CO 0.03 -0.56 1.29 -0.65 -1.11 0.00 0.00 175.55 174.55 1x6f s GLN 27 N 2.33 3.22 0.03 -0.62 -1.52 -1.26 -2.47 119.66 119.36 1x6f s GLN 27 Ca 0.17 -0.30 -0.30 0.00 -1.95 0.00 0.00 55.36 52.97 1x6f s GLN 27 Cb -0.16 -4.26 -0.08 0.00 -0.22 0.00 0.00 33.01 28.30 1x6f s GLN 27 CO 0.13 -2.15 1.73 0.00 -0.25 0.00 0.00 175.29 174.75 1x6f n LYS 29 N 6.52 1.61 -0.01 0.00 0.00 -1.26 -0.01 118.16 125.01 1x6f n LYS 29 Ca 0.17 -0.56 -0.02 0.00 -0.00 0.00 0.00 58.31 57.90 1x6f n LYS 29 Cb 0.41 -1.55 -0.01 0.00 -0.00 0.00 0.00 35.03 33.88 1x6f n LYS 29 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1x6f n HIS 30 N 0.13 0.00 -0.55 5.58 8.25 -1.26 -4.83 115.22 122.54 1x6f n HIS 30 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1x6f n HIS 30 Cb 0.48 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1x6f n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x6f n ASP 32 N -0.05 -5.46 -3.18 0.00 9.92 0.99 -5.01 116.55 113.77 1x6f n ASP 32 Ca 0.00 -0.39 -0.11 0.00 -0.53 0.00 0.00 54.79 53.76 1x6f n ASP 32 Cb 0.14 -4.11 0.06 0.00 -0.64 0.00 0.00 41.12 36.56 1x6f n ASP 32 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1x6f n SER 33 N -2.01 0.60 -3.84 -2.24 7.64 -1.24 -4.77 113.62 107.76 1x6f n SER 33 Ca -0.01 -1.52 -0.21 0.00 1.01 0.00 0.00 58.87 58.14 1x6f n SER 33 Cb 0.56 -0.31 -0.17 0.00 -1.01 0.00 0.00 64.21 63.28 1x6f n SER 33 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1x6f s LYS 34 N -3.70 0.71 0.22 1.43 1.02 -1.25 -2.28 119.74 115.88 1x6f s LYS 34 Ca 0.31 -0.00 0.08 0.00 0.02 0.00 0.00 55.97 56.38 1x6f s LYS 34 Cb -0.02 -0.88 -0.05 0.00 -0.52 0.00 0.00 37.83 36.37 1x6f s LYS 34 CO 0.21 -0.18 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.79 1x6f s LEU 35 N 1.38 2.56 0.05 3.17 1.02 -1.03 -4.84 118.68 120.99 1x6f s LEU 35 Ca -0.04 -1.02 -0.26 0.00 0.02 0.00 0.00 54.13 52.83 1x6f s LEU 35 Cb -0.13 -0.74 -0.17 0.00 0.02 0.00 0.00 46.19 45.16 1x6f s LEU 35 CO -0.03 -0.13 1.54 1.56 0.02 0.00 0.00 176.35 179.31 1x6f h GLN 36 N 2.52 -0.29 -2.50 1.70 4.20 -1.92 0.33 115.11 119.15 1x6f h GLN 36 Ca -0.38 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.50 1x6f h GLN 36 Cb 1.23 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 29.02 1x6f h GLN 36 CO 0.61 -0.09 0.51 0.45 -0.67 0.00 0.00 178.83 179.64 1x6f s SER 37 N -5.05 -0.08 0.21 1.46 0.15 -1.26 -4.50 113.70 104.63 1x6f s SER 37 Ca -0.15 -0.61 -0.16 0.00 0.70 0.00 0.00 55.95 55.74 1x6f s SER 37 Cb 0.04 0.53 0.22 0.00 -1.71 0.00 0.00 66.02 65.10 1x6f s SER 37 CO 0.63 -1.03 1.41 0.41 1.20 0.00 0.00 173.24 175.86 1x6f n THR 38 N -0.58 -0.48 -0.25 6.45 -1.04 -1.26 0.54 114.28 117.65 1x6f n THR 38 Ca -0.05 2.13 0.16 0.00 -2.04 0.00 0.00 64.05 64.25 1x6f n THR 38 Cb 0.60 -2.81 0.31 0.00 -1.82 0.00 0.00 70.33 66.61 1x6f n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x6f n ALA 39 N -3.52 0.54 0.13 2.41 0.00 -1.26 0.20 120.51 119.01 1x6f n ALA 39 Ca 0.09 0.80 -0.21 0.00 0.00 0.00 0.00 53.44 54.12 1x6f n ALA 39 Cb 0.36 -0.66 -0.15 0.00 0.00 0.00 0.00 19.45 19.00 1x6f n ALA 39 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x6f h GLU 40 N 0.00 0.43 -0.37 0.00 4.39 -0.31 -3.28 114.58 115.43 1x6f h GLU 40 Ca 0.53 -0.71 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1x6f h GLU 40 Cb 1.24 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 30.13 1x6f h GLU 40 CO -0.66 1.34 0.19 1.25 -1.16 0.00 0.00 179.01 179.97 1x6f h LEU 41 N 0.12 0.44 -1.44 1.33 5.85 0.30 0.15 115.31 122.06 1x6f h LEU 41 Ca -0.20 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1x6f h LEU 41 Cb 2.07 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.97 1x6f h LEU 41 CO 0.24 0.37 0.14 0.74 -0.34 0.00 0.00 178.44 179.59 1x6f h THR 42 N 0.50 1.15 0.15 1.05 2.02 -0.42 0.23 112.91 117.59 1x6f h THR 42 Ca 0.13 -0.46 -0.36 0.00 0.77 0.00 0.00 66.41 66.50 1x6f h THR 42 Cb 0.03 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1x6f h THR 42 CO -0.02 0.17 -1.88 -1.28 0.37 0.00 0.00 175.52 172.89 1x6f h SER 43 N 0.52 0.48 -0.30 4.18 0.87 -1.43 -3.31 113.55 114.55 1x6f h SER 43 Ca 0.13 -0.94 -0.03 0.00 -1.23 0.00 0.00 61.79 59.72 1x6f h SER 43 Cb 0.11 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1x6f h SER 43 CO -0.01 1.82 0.08 -0.74 -0.53 0.00 0.00 176.83 177.45 1x6f h HIS 44 N 0.05 0.50 -0.80 2.24 6.17 -0.59 -2.96 115.15 119.76 1x6f h HIS 44 Ca -0.39 -0.06 0.09 0.00 0.71 0.00 0.00 60.37 60.72 1x6f h HIS 44 Cb 2.03 -0.14 -0.07 0.00 2.52 0.00 0.00 27.41 31.75 1x6f h HIS 44 CO 0.09 0.53 0.45 -0.07 0.71 0.00 0.00 177.93 179.64 1x6f h LEU 45 N 0.33 0.64 -1.00 0.26 3.38 -0.71 -1.42 115.31 116.79 1x6f h LEU 45 Ca 0.10 0.05 0.31 0.00 0.09 0.00 0.00 57.88 58.43 1x6f h LEU 45 Cb 0.27 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 40.80 1x6f h LEU 45 CO -0.00 0.37 0.55 0.78 0.09 0.00 0.00 178.44 180.23 1x6f h ASN 46 N 0.76 0.50 -0.88 -0.43 2.35 -1.60 0.71 115.58 116.99 1x6f h ASN 46 Ca 0.38 0.19 0.16 0.00 -0.55 0.00 0.00 56.30 56.48 1x6f h ASN 46 Cb 0.35 0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.79 1x6f h ASN 46 CO -0.25 -0.12 0.57 0.40 -1.65 0.00 0.00 177.43 176.39 1x6f h ILE 47 N 0.34 0.80 -0.14 2.81 2.04 -1.33 0.16 117.51 122.19 1x6f h ILE 47 Ca 0.72 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 66.28 1x6f h ILE 47 Cb 1.60 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1x6f h ILE 47 CO -0.60 0.11 -0.26 0.45 0.00 0.00 0.00 178.15 177.85 1x6f h HIS 48 N 0.60 0.53 -0.12 1.37 3.86 0.32 -2.17 115.15 119.53 1x6f h HIS 48 Ca 0.44 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1x6f h HIS 48 Cb 0.82 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 1x6f h HIS 48 CO -0.00 0.88 0.05 -0.91 0.86 0.00 0.00 177.93 178.81 1x6f h ASN 49 N 0.02 0.17 -0.91 2.45 2.35 -1.00 0.31 115.58 118.97 1x6f h ASN 49 Ca 0.01 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1x6f h ASN 49 Cb 0.85 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.13 1x6f h ASN 49 CO 0.06 0.27 0.60 1.05 -1.65 0.00 0.00 177.43 177.76 1x6f h GLU 50 N 0.05 1.18 -0.13 0.81 4.11 -0.80 -2.55 114.58 117.25 1x6f h GLU 50 Ca 0.04 -0.07 -0.21 0.00 0.07 0.00 0.00 59.36 59.19 1x6f h GLU 50 Cb 0.15 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.15 1x6f h GLU 50 CO -0.00 0.78 -0.74 0.93 0.07 0.00 0.00 179.01 180.05 1x6f h GLU 51 N 1.21 0.73 -0.80 1.06 4.39 -1.15 -3.25 114.58 116.78 1x6f h GLU 51 Ca 0.34 -0.61 0.19 0.00 0.34 0.00 0.00 59.36 59.62 1x6f h GLU 51 Cb -0.10 0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 28.57 1x6f h GLU 51 CO -0.08 1.22 0.21 0.35 -1.16 0.00 0.00 179.01 179.55 1x6f h PHE 52 N 0.43 0.33 -0.96 4.33 3.04 0.04 -0.71 116.94 123.44 1x6f h PHE 52 Ca -0.06 0.05 0.18 0.00 3.98 0.00 0.00 57.97 62.12 1x6f h PHE 52 Cb 1.37 -0.02 -0.18 0.00 2.56 0.00 0.00 35.95 39.69 1x6f h PHE 52 CO 0.10 -0.11 -0.27 1.96 -2.02 0.00 0.00 178.31 177.96 1x6f h GLN 53 N 0.27 -0.00 -0.27 1.11 1.08 -1.54 0.33 115.11 116.08 1x6f h GLN 53 Ca 0.47 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.52 1x6f h GLN 53 Cb 0.85 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1x6f h GLN 53 CO -0.55 -0.00 -0.40 -0.22 -0.95 0.00 0.00 178.83 176.70 1x6f h LYS 54 N -0.00 0.75 -1.49 1.46 1.63 -1.33 -3.10 116.57 114.49 1x6f h LYS 54 Ca 0.43 -0.45 0.46 0.00 -0.85 0.00 0.00 60.65 60.25 1x6f h LYS 54 Cb 0.68 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 32.24 1x6f h LYS 54 CO -0.98 1.07 1.01 -0.09 -3.45 0.00 0.00 179.45 177.01 1x6f h ARG 55 N 0.49 0.06 -5.54 1.90 2.43 0.20 -3.28 114.38 110.64 1x6f h ARG 55 Ca 0.03 -0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.89 1x6f h ARG 55 Cb 1.00 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 1x6f h ARG 55 CO 0.09 0.04 0.90 0.00 -1.51 0.00 0.00 179.97 179.49 1x6f s ALA 56 N -5.14 1.69 0.50 2.80 0.00 -0.95 -4.93 121.76 115.72 1x6f s ALA 56 Ca -0.07 -1.89 -0.21 0.00 0.00 0.00 0.00 51.96 49.79 1x6f s ALA 56 Cb 0.28 -4.63 -0.09 0.00 0.00 0.00 0.00 23.12 18.68 1x6f s ALA 56 CO 0.84 -5.15 0.89 1.63 0.00 0.00 0.00 175.76 173.97 1x6f n LYS 57 N 8.49 1.04 0.00 0.00 4.01 -1.24 -4.93 118.16 125.53 1x6f n LYS 57 Ca 0.43 0.38 0.00 0.00 -0.51 0.00 0.00 58.31 58.62 1x6f n LYS 57 Cb 0.47 -1.99 0.00 0.00 -0.51 0.00 0.00 35.03 33.00 1x6f n LYS 57 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1x6f n ARG 58 N -0.19 0.00 -3.99 1.97 5.12 -1.26 -5.11 116.66 113.20 1x6f n ARG 58 Ca 0.11 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.76 1x6f n ARG 58 Cb 0.43 -0.62 -0.02 0.00 -1.16 0.00 0.00 32.46 31.08 1x6f n ARG 58 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1x6f s GLN 59 N -1.79 2.26 0.84 5.56 -2.07 -1.26 -5.13 119.66 118.07 1x6f s GLN 59 Ca 0.00 -2.04 -0.12 0.00 -1.82 0.00 0.00 55.36 51.38 1x6f s GLN 59 Cb 0.00 -2.03 0.10 0.00 -1.09 0.00 0.00 33.01 29.98 1x6f s GLN 59 CO 0.00 -0.55 1.11 -1.21 -1.32 0.00 0.00 175.29 173.32 1x6f s GLU 60 N -4.21 1.72 0.04 9.60 2.02 -1.26 -5.09 118.70 121.52 1x6f s GLU 60 Ca 0.31 0.57 -0.08 0.00 0.02 0.00 0.00 54.97 55.80 1x6f s GLU 60 Cb -0.01 -1.88 -0.00 0.00 0.10 0.00 0.00 34.13 32.33 1x6f s GLU 60 CO 0.19 -1.86 0.15 0.50 0.02 0.00 0.00 175.26 174.26 1x6f s ARG 61 N -5.16 0.65 0.15 1.61 3.52 -1.26 -5.17 118.95 113.29 1x6f s ARG 61 Ca 0.62 -0.69 0.08 0.00 -0.13 0.00 0.00 55.73 55.60 1x6f s ARG 61 Cb -0.15 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 1x6f s ARG 61 CO 0.54 -0.18 -0.09 0.50 -0.81 0.00 0.00 175.30 175.26 1x6f s ARG 62 N -2.62 2.10 0.29 5.12 3.52 -1.26 -5.14 118.95 120.95 1x6f s ARG 62 Ca -0.05 -1.15 0.02 0.00 -0.13 0.00 0.00 55.73 54.42 1x6f s ARG 62 Cb -0.01 -2.23 -0.05 0.00 -1.56 0.00 0.00 34.95 31.10 1x6f s ARG 62 CO -0.04 0.47 0.11 -1.59 -0.81 0.00 0.00 175.30 173.43 1x6f s LYS 63 N -2.56 1.51 1.44 5.12 0.00 -1.26 -5.16 119.74 118.83 1x6f s LYS 63 Ca 0.23 -1.84 -0.24 0.00 0.00 0.00 0.00 55.97 54.13 1x6f s LYS 63 Cb -0.10 -0.31 0.37 0.00 0.00 0.00 0.00 37.83 37.79 1x6f s LYS 63 CO 0.15 -0.33 0.83 1.04 0.00 0.00 0.00 175.35 177.04 1x6f n GLN 64 N -0.54 -4.68 0.01 1.78 1.13 -1.26 -5.03 117.38 108.79 1x6f n GLN 64 Ca -0.00 -1.40 -0.02 0.00 -1.94 0.00 0.00 57.00 53.63 1x6f n GLN 64 Cb 0.66 -1.86 -0.01 0.00 0.11 0.00 0.00 30.24 29.14 1x6f n GLN 64 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1x6f n LEU 65 N 0.00 1.32 -4.32 1.08 4.32 -1.26 -5.04 117.00 113.10 1x6f n LEU 65 Ca 0.13 0.19 -0.48 0.00 -0.02 0.00 0.00 56.01 55.83 1x6f n LEU 65 Cb 0.58 -0.45 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 1x6f n LEU 65 CO 0.38 -0.62 0.04 0.00 -1.22 0.00 0.00 177.39 175.97 1x6f n LEU 66 N -3.74 -1.12 -3.82 2.23 -0.00 -1.26 -4.96 117.00 104.34 1x6f n LEU 66 Ca -0.04 1.11 -0.08 0.00 -0.00 0.00 0.00 56.01 57.00 1x6f n LEU 66 Cb 0.14 -0.93 0.02 0.00 -0.00 0.00 0.00 43.42 42.65 1x6f n LEU 66 CO 0.06 -2.84 0.52 -0.44 -0.00 0.00 0.00 177.39 174.69 1x6f s SER 67 N -0.89 -0.04 0.38 1.45 0.01 -1.26 -5.19 113.70 108.16 1x6f s SER 67 Ca 0.65 -1.05 0.04 0.00 1.31 0.00 0.00 55.95 56.90 1x6f s SER 67 Cb -0.94 0.83 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 1x6f s SER 67 CO 0.55 -1.63 0.11 -0.54 0.41 0.00 0.00 173.24 172.14 1x6f s LYS 68 N -2.60 1.85 0.15 12.44 1.02 -1.26 -5.18 119.74 126.16 1x6f s LYS 68 Ca 0.15 -2.10 -0.08 0.00 0.02 0.00 0.00 55.97 53.95 1x6f s LYS 68 Cb -0.05 -0.64 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 1x6f s LYS 68 CO 0.11 -0.41 0.25 -1.14 -0.92 0.00 0.00 175.35 173.23 1x6f s GLN 69 N -3.76 1.08 0.35 1.68 2.00 -1.26 -5.18 119.66 114.56 1x6f s GLN 69 Ca 0.27 -1.15 0.04 0.00 -2.00 0.00 0.00 55.36 52.51 1x6f s GLN 69 Cb 0.04 0.36 -0.05 0.00 0.80 0.00 0.00 33.01 34.16 1x6f s GLN 69 CO 0.15 -0.38 0.08 -1.59 -0.50 0.00 0.00 175.29 173.05 1x6f s LYS 70 N -3.95 1.74 0.39 1.67 -2.85 -1.26 -5.17 119.74 110.31 1x6f s LYS 70 Ca 0.15 -2.00 0.04 0.00 -1.00 0.00 0.00 55.97 53.16 1x6f s LYS 70 Cb 0.04 -0.79 -0.03 0.00 -2.06 0.00 0.00 37.83 34.99 1x6f s LYS 70 CO -0.02 -0.28 0.15 0.71 0.10 0.00 0.00 175.35 176.00 1x6f s TYR 71 N -3.28 1.77 0.37 1.78 1.51 -1.26 -5.18 117.35 113.07 1x6f s TYR 71 Ca 0.32 -1.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.09 1x6f s TYR 71 Cb 0.07 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.79 1x6f s TYR 71 CO 0.15 -0.37 0.13 0.00 -1.11 0.00 0.00 175.55 174.35 1x6f s ALA 72 N -3.26 2.58 0.38 3.71 0.00 -1.26 -5.18 121.76 118.74 1x6f s ALA 72 Ca 0.26 -1.50 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 1x6f s ALA 72 Cb 0.03 0.87 0.05 0.00 0.00 0.00 0.00 23.12 24.07 1x6f s ALA 72 CO 0.16 -0.39 0.77 0.16 0.00 0.00 0.00 175.76 176.46 1x6f s ASP 73 N -3.53 0.07 0.00 0.00 -4.77 -1.26 -5.19 116.67 101.99 1x6f s ASP 73 Ca 0.29 -1.17 0.00 0.00 -3.30 0.00 0.00 52.55 48.37 1x6f s ASP 73 Cb 0.04 0.84 0.00 0.00 -1.09 0.00 0.00 42.92 42.71 1x6f s ASP 73 CO 0.16 -1.67 0.00 0.61 0.70 0.00 0.00 175.17 174.97 1x6f n GLY 74 N -0.53 1.45 3.83 2.12 0.00 -1.26 -5.19 105.19 105.61 1x6f n GLY 74 Ca -0.08 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.19 1x6f n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6f s ALA 75 N -2.00 -1.14 0.23 4.61 0.00 -1.26 -5.19 121.76 117.01 1x6f s ALA 75 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 51.96 51.32 1x6f s ALA 75 Cb 0.00 0.75 0.04 0.00 0.00 0.00 0.00 23.12 23.90 1x6f s ALA 75 CO 0.00 -1.02 0.82 -0.06 0.00 0.00 0.00 175.76 175.49 1x6f s PHE 76 N -3.06 -0.16 0.27 0.00 0.08 -1.26 -5.19 117.98 108.66 1x6f s PHE 76 Ca 0.14 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 56.97 1x6f s PHE 76 Cb -0.05 0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 43.05 1x6f s PHE 76 CO 0.08 -1.09 0.20 0.00 -0.10 0.00 0.00 175.22 174.31 1x6f s ALA 77 N -3.63 1.55 0.09 5.36 0.00 -1.26 -5.18 121.76 118.68 1x6f s ALA 77 Ca 0.12 -1.88 -0.26 0.00 0.00 0.00 0.00 51.96 49.94 1x6f s ALA 77 Cb -0.04 1.41 0.08 0.00 0.00 0.00 0.00 23.12 24.58 1x6f s ALA 77 CO 0.05 -0.62 0.72 0.34 0.00 0.00 0.00 175.76 176.26 1x6f s ASP 78 N -3.27 -0.49 0.34 0.00 -1.08 -1.26 -5.19 116.67 105.72 1x6f s ASP 78 Ca 0.40 0.01 0.05 0.00 -0.52 0.00 0.00 52.55 52.49 1x6f s ASP 78 Cb 0.05 0.51 -0.03 0.00 -1.46 0.00 0.00 42.92 41.99 1x6f s ASP 78 CO 0.20 -0.82 0.21 -0.36 0.52 0.00 0.00 175.17 174.92 1x6f s PHE 79 N -3.43 1.70 0.03 -5.34 0.08 -1.26 -5.18 117.98 104.58 1x6f s PHE 79 Ca 0.02 -1.50 -0.04 0.00 0.12 0.00 0.00 56.93 55.54 1x6f s PHE 79 Cb -0.01 -0.85 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1x6f s PHE 79 CO -0.11 -0.65 0.05 0.21 -0.10 0.00 0.00 175.22 174.62 1x6f s LYS 80 N -3.62 0.51 0.38 0.44 2.20 -1.26 -5.18 119.74 113.22 1x6f s LYS 80 Ca 0.35 -0.77 0.04 0.00 -0.36 0.00 0.00 55.97 55.23 1x6f s LYS 80 Cb 0.03 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 1x6f s LYS 80 CO 0.22 -0.11 0.14 -0.65 -0.36 0.00 0.00 175.35 174.58 1x6f s GLN 81 N -2.44 1.83 -0.17 4.03 -0.21 -1.26 -5.17 119.66 116.27 1x6f s GLN 81 Ca -0.07 -2.09 -0.10 0.00 0.02 0.00 0.00 55.36 53.13 1x6f s GLN 81 Cb -0.02 -0.44 0.06 0.00 1.00 0.00 0.00 33.01 33.60 1x6f s GLN 81 CO -0.04 -0.47 0.41 -2.00 -2.12 0.00 0.00 175.29 171.07 1x6f s GLU 82 N -3.72 0.40 -0.03 2.91 2.56 -1.26 -5.16 118.70 114.40 1x6f s GLU 82 Ca 0.29 0.77 -0.30 0.00 0.00 0.00 0.00 54.97 55.72 1x6f s GLU 82 Cb 0.03 -0.00 0.11 0.00 2.00 0.00 0.00 34.13 36.27 1x6f s GLU 82 CO 0.16 -0.15 1.08 -1.12 -0.56 0.00 0.00 175.26 174.67 1x6f s SER 83 N 1.29 -0.20 -0.32 -1.70 0.01 -1.26 -5.14 113.70 106.38 1x6f s SER 83 Ca -0.09 -0.11 -0.11 0.00 1.31 0.00 0.00 55.95 56.96 1x6f s SER 83 Cb -0.08 0.29 0.19 0.00 0.21 0.00 0.00 66.02 66.63 1x6f s SER 83 CO -0.11 -0.49 1.10 -0.83 0.41 0.00 0.00 173.24 173.31 1x6f s GLY 84 N -2.58 -1.65 1.23 3.44 0.00 -1.26 -5.17 107.32 101.33 1x6f s GLY 84 Ca 0.10 1.28 -0.20 0.00 0.00 0.00 0.00 44.72 45.89 1x6f s GLY 84 CO -0.05 4.38 1.11 2.56 0.00 0.00 0.00 173.10 181.10 1x6f s PRO 85 N 1.81 -1.44 0.03 2.90 0.04 -1.26 -5.09 135.00 131.99 1x6f s PRO 85 Ca 0.16 -0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.06 1x6f s PRO 85 Cb 0.06 -1.58 -0.02 0.00 0.04 0.00 0.00 34.50 33.00 1x6f s PRO 85 CO -0.15 -3.84 -0.04 -1.54 0.04 0.00 0.00 177.00 171.47 1x6f s SER 86 N -3.96 0.44 0.10 6.66 1.04 -1.26 -5.16 113.70 111.56 1x6f s SER 86 Ca 0.72 -0.49 -0.26 0.00 0.48 0.00 0.00 55.95 56.40 1x6f s SER 86 Cb -0.08 0.07 0.08 0.00 0.10 0.00 0.00 66.02 66.19 1x6f s SER 86 CO 0.56 -0.25 0.81 -0.55 0.98 0.00 0.00 173.24 174.79 1x6f s SER 87 N -1.42 -0.36 0.00 7.02 0.15 -1.26 -5.39 113.70 112.45 1x6f s SER 87 Ca -0.13 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1x6f s SER 87 Cb -0.09 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1x6f s SER 87 CO -0.00 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.20