#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6f n SER 2 N 0.00 -2.36 -3.65 1.61 2.88 -1.26 -4.91 113.62 105.92 1x6f n SER 2 Ca 0.00 -1.07 -0.15 0.00 -1.33 0.00 0.00 58.87 56.32 1x6f n SER 2 Cb 0.00 -2.51 -0.07 0.00 -0.75 0.00 0.00 64.21 60.88 1x6f n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6f s SER 3 N -3.50 0.81 -0.40 -3.46 1.04 -1.26 -5.13 113.70 101.80 1x6f s SER 3 Ca 0.61 -1.48 -0.00 0.00 0.48 0.00 0.00 55.95 55.56 1x6f s SER 3 Cb -0.34 0.54 0.23 0.00 0.10 0.00 0.00 66.02 66.55 1x6f s SER 3 CO 0.95 -1.07 1.02 0.61 0.98 0.00 0.00 173.24 175.73 1x6f n GLY 4 N -0.47 -1.14 3.24 7.32 0.00 -1.26 -5.16 105.19 107.71 1x6f n GLY 4 Ca 0.03 0.81 -0.09 0.00 0.00 0.00 0.00 46.02 46.77 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 0.08 0.18 0.16 1.61 0.01 -1.26 -5.18 113.70 109.30 1x6f s SER 5 Ca 0.27 -0.99 -0.03 0.00 1.31 0.00 0.00 55.95 56.51 1x6f s SER 5 Cb 0.14 0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 1x6f s SER 5 CO -0.12 -0.80 0.12 -0.94 0.41 0.00 0.00 173.24 171.92 1x6f s SER 6 N -2.99 0.21 0.00 2.44 1.04 -1.26 -5.08 113.70 108.07 1x6f s SER 6 Ca 0.18 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1x6f s SER 6 Cb 0.05 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1x6f s SER 6 CO -0.01 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1x6f n GLY 7 N -0.17 -0.66 2.65 7.32 0.00 -1.26 -5.13 105.19 107.95 1x6f n GLY 7 Ca -0.04 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1x6f n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x6f s LEU 8 N 0.00 1.75 -0.30 0.99 2.96 -1.26 -5.07 118.68 117.76 1x6f s LEU 8 Ca 0.00 -1.76 -0.16 0.00 -0.22 0.00 0.00 54.13 52.00 1x6f s LEU 8 Cb 0.00 -0.71 0.18 0.00 0.50 0.00 0.00 46.19 46.16 1x6f s LEU 8 CO 0.00 -0.39 1.11 -0.75 -1.32 0.00 0.00 176.35 175.00 1x6f s LYS 9 N 1.50 0.16 0.29 1.98 2.20 -1.26 -5.18 119.74 119.42 1x6f s LYS 9 Ca 0.12 0.33 0.04 0.00 -0.36 0.00 0.00 55.97 56.10 1x6f s LYS 9 Cb -0.19 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.30 1x6f s LYS 9 CO -0.21 -0.12 0.25 1.03 -0.36 0.00 0.00 175.35 175.94 1x6f s ARG 10 N 2.62 1.60 0.32 4.03 0.52 -1.26 -5.18 118.95 121.60 1x6f s ARG 10 Ca -0.02 -1.89 0.04 0.00 -0.52 0.00 0.00 55.73 53.34 1x6f s ARG 10 Cb -0.07 0.32 -0.06 0.00 0.52 0.00 0.00 34.95 35.66 1x6f s ARG 10 CO -0.13 -0.58 0.06 0.16 0.02 0.00 0.00 175.30 174.83 1x6f s ASP 11 N -3.30 2.29 0.40 0.23 1.47 -1.26 -5.17 116.67 111.32 1x6f s ASP 11 Ca 0.40 -1.38 0.08 0.00 1.18 0.00 0.00 52.55 52.83 1x6f s ASP 11 Cb 0.04 -0.07 -0.05 0.00 -0.34 0.00 0.00 42.92 42.50 1x6f s ASP 11 CO 0.23 -0.61 0.18 0.72 0.68 0.00 0.00 175.17 176.36 1x6f s PHE 12 N -3.33 2.63 -0.09 2.11 -0.71 -1.26 -5.14 117.98 112.19 1x6f s PHE 12 Ca 0.37 -0.54 -0.04 0.00 -1.04 0.00 0.00 56.93 55.68 1x6f s PHE 12 Cb 0.09 -1.90 0.05 0.00 -1.21 0.00 0.00 43.02 40.04 1x6f s PHE 12 CO 0.15 0.20 0.19 0.42 -1.34 0.00 0.00 175.22 174.85 1x6f s ILE 13 N -2.56 -0.14 -0.24 -4.49 -1.09 -1.26 -5.12 121.20 106.29 1x6f s ILE 13 Ca 0.41 0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 59.02 1x6f s ILE 13 Cb 0.02 -0.31 0.08 0.00 -1.58 0.00 0.00 42.46 40.67 1x6f s ILE 13 CO 0.23 0.09 0.08 -0.63 -1.23 0.00 0.00 174.94 173.48 1x6f s ILE 14 N 1.60 0.41 -0.29 2.92 -1.09 -1.26 -5.11 121.20 118.38 1x6f s ILE 14 Ca -0.05 -0.77 -0.24 0.00 -2.23 0.00 0.00 60.65 57.35 1x6f s ILE 14 Cb -0.11 -1.13 0.15 0.00 -1.58 0.00 0.00 42.46 39.78 1x6f s ILE 14 CO -0.07 -0.46 1.16 -0.22 -1.23 0.00 0.00 174.94 174.12 1x6f s LEU 15 N 1.89 -0.32 0.00 2.97 2.96 -1.26 -5.13 118.68 119.78 1x6f s LEU 15 Ca 0.04 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1x6f s LEU 15 Cb -0.17 1.61 0.00 0.00 0.50 0.00 0.00 46.19 48.14 1x6f s LEU 15 CO -0.19 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.34 1x6f n GLY 16 N 2.13 -0.74 0.08 7.98 0.00 -1.26 -5.11 105.19 108.26 1x6f n GLY 16 Ca -0.12 0.60 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 1x6f n GLY 16 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x6f n ASN 17 N 0.00 0.48 -1.60 1.61 6.94 -1.26 -5.12 115.26 116.31 1x6f n ASN 17 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 1x6f n ASN 17 Cb 0.00 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 36.88 1x6f n ASN 17 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x6f n GLY 18 N 1.60 -4.26 0.00 4.83 0.00 -1.26 -4.43 105.19 101.68 1x6f n GLY 18 Ca -0.03 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.24 1x6f n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6f n PRO 19 N -2.14 0.49 -0.71 1.61 -0.04 -1.26 -4.85 135.00 128.10 1x6f n PRO 19 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1x6f n PRO 19 Cb 0.35 -1.38 0.11 0.00 -0.04 0.00 0.00 33.50 32.54 1x6f n PRO 19 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x6f n ARG 20 N -0.88 -1.25 -3.97 0.54 3.00 -1.26 -5.03 116.66 107.82 1x6f n ARG 20 Ca 0.09 -0.36 -0.09 0.00 -0.01 0.00 0.00 57.85 57.47 1x6f n ARG 20 Cb 0.04 -1.36 -0.11 0.00 0.00 0.00 0.00 32.46 31.03 1x6f n ARG 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x6f s LEU 21 N 2.65 2.20 0.50 0.55 1.02 -1.26 -5.14 118.68 119.20 1x6f s LEU 21 Ca 0.37 -0.44 -0.23 0.00 0.02 0.00 0.00 54.13 53.86 1x6f s LEU 21 Cb -0.03 0.10 -0.06 0.00 0.02 0.00 0.00 46.19 46.22 1x6f s LEU 21 CO 0.47 -0.27 1.31 -1.10 0.02 0.00 0.00 176.35 176.78 1x6f s GLN 22 N -1.30 3.42 -0.21 1.70 1.11 -1.26 -5.02 119.66 118.10 1x6f s GLN 22 Ca -0.14 2.12 -0.04 0.00 0.01 0.00 0.00 55.36 57.30 1x6f s GLN 22 Cb -0.09 -2.37 0.08 0.00 -1.01 0.00 0.00 33.01 29.62 1x6f s GLN 22 CO -0.01 -0.93 0.15 -0.80 0.01 0.00 0.00 175.29 173.71 1x6f s ASN 23 N -1.01 2.33 -1.63 5.90 0.02 -1.26 -4.89 114.94 114.39 1x6f s ASN 23 Ca 0.67 -0.68 -0.14 0.00 -1.02 0.00 0.00 52.86 51.69 1x6f s ASN 23 Cb -0.37 -0.06 0.14 0.00 0.02 0.00 0.00 41.25 40.98 1x6f s ASN 23 CO 0.45 -0.37 0.35 -1.20 0.02 0.00 0.00 177.10 176.35 1x6f n SER 24 N 5.28 -0.74 -4.92 -1.22 7.64 -1.26 -4.89 113.62 113.51 1x6f n SER 24 Ca -0.06 -1.17 -0.27 0.00 1.01 0.00 0.00 58.87 58.38 1x6f n SER 24 Cb 0.47 -1.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.17 1x6f n SER 24 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1x6f s THR 25 N -3.53 5.14 -0.34 0.44 -4.23 -1.26 -4.68 115.64 107.19 1x6f s THR 25 Ca 0.49 -0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 60.63 1x6f s THR 25 Cb -0.29 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 69.82 1x6f s THR 25 CO 0.94 -0.26 0.16 -0.31 -0.54 0.00 0.00 174.62 174.61 1x6f s TYR 26 N -1.98 3.21 -0.94 3.99 1.51 0.10 -4.89 117.35 118.35 1x6f s TYR 26 Ca 0.40 -0.86 -0.19 0.00 -1.01 0.00 0.00 57.07 55.40 1x6f s TYR 26 Cb -0.11 -2.37 0.12 0.00 -0.11 0.00 0.00 41.96 39.49 1x6f s TYR 26 CO 0.30 -0.57 1.18 -1.14 -1.11 0.00 0.00 175.55 174.21 1x6f s GLN 27 N 1.55 3.60 0.54 -0.62 2.00 -1.25 -1.55 119.66 123.92 1x6f s GLN 27 Ca 0.03 -1.65 -0.19 0.00 -2.00 0.00 0.00 55.36 51.55 1x6f s GLN 27 Cb -0.18 -4.99 -0.10 0.00 0.80 0.00 0.00 33.01 28.55 1x6f s GLN 27 CO 0.06 -1.84 0.51 0.00 -0.50 0.00 0.00 175.29 173.51 1x6f n LYS 29 N 0.13 2.09 0.00 0.00 0.00 -1.26 -3.08 118.16 116.04 1x6f n LYS 29 Ca 0.11 -3.16 0.00 0.00 -0.00 0.00 0.00 58.31 55.27 1x6f n LYS 29 Cb 0.46 -2.00 0.00 0.00 -0.00 0.00 0.00 35.03 33.49 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 -1.12 0.00 -0.26 5.58 8.25 -1.26 -4.88 115.22 121.54 1x6f n HIS 30 Ca 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 1x6f n HIS 30 Cb 1.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.39 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 -0.22 -3.27 -3.45 0.00 9.92 -1.18 -5.03 116.55 113.32 1x6f n ASP 32 Ca 0.00 -0.45 -0.11 0.00 -0.53 0.00 0.00 54.79 53.70 1x6f n ASP 32 Cb 0.06 -4.01 0.05 0.00 -0.64 0.00 0.00 41.12 36.59 1x6f n ASP 32 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1x6f n SER 33 N -2.37 0.90 -3.71 -2.24 2.88 -1.26 -4.83 113.62 102.98 1x6f n SER 33 Ca -0.14 -1.70 -0.27 0.00 -1.33 0.00 0.00 58.87 55.43 1x6f n SER 33 Cb 0.60 -0.29 -0.16 0.00 -0.75 0.00 0.00 64.21 63.60 1x6f n SER 33 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1x6f s LYS 34 N -3.64 0.55 0.25 -1.46 1.02 -1.24 -2.44 119.74 112.78 1x6f s LYS 34 Ca 0.34 -0.38 0.08 0.00 0.02 0.00 0.00 55.97 56.02 1x6f s LYS 34 Cb -0.02 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 1x6f s LYS 34 CO 0.22 -0.66 0.13 -0.51 -0.92 0.00 0.00 175.35 173.61 1x6f s LEU 35 N 1.90 3.62 0.02 3.17 1.02 -0.60 -4.81 118.68 123.00 1x6f s LEU 35 Ca -0.00 -0.37 -0.27 0.00 0.02 0.00 0.00 54.13 53.51 1x6f s LEU 35 Cb -0.17 -2.15 -0.16 0.00 0.02 0.00 0.00 46.19 43.73 1x6f s LEU 35 CO -0.09 -0.02 1.20 1.56 0.02 0.00 0.00 176.35 179.02 1x6f h GLN 36 N 1.63 -0.72 -3.51 1.70 4.20 -1.90 0.30 115.11 116.80 1x6f h GLN 36 Ca -0.47 0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.16 1x6f h GLN 36 Cb 1.24 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 29.15 1x6f h GLN 36 CO 0.61 -0.42 0.06 -1.12 -0.67 0.00 0.00 178.83 177.29 1x6f s SER 37 N -4.68 0.37 0.20 1.46 0.01 -1.26 -4.46 113.70 105.33 1x6f s SER 37 Ca -0.14 -1.26 -0.18 0.00 1.31 0.00 0.00 55.95 55.68 1x6f s SER 37 Cb 0.02 0.75 0.16 0.00 0.21 0.00 0.00 66.02 67.17 1x6f s SER 37 CO 0.48 -1.48 1.60 0.74 0.41 0.00 0.00 173.24 174.99 1x6f h THR 38 N 2.06 0.22 -0.84 1.44 2.02 -1.98 0.11 112.91 115.94 1x6f h THR 38 Ca -0.30 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.21 1x6f h THR 38 Cb 1.25 0.22 -0.12 0.00 -1.74 0.00 0.00 68.15 67.75 1x6f h THR 38 CO 0.39 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.77 1x6f n ALA 39 N -3.14 0.85 0.08 6.16 0.00 -1.26 0.24 120.51 123.44 1x6f n ALA 39 Ca 0.05 0.72 -0.21 0.00 0.00 0.00 0.00 53.44 54.00 1x6f n ALA 39 Cb 0.35 -0.77 -0.15 0.00 0.00 0.00 0.00 19.45 18.89 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 0.37 -0.19 0.00 4.39 -1.21 -3.36 114.58 114.58 1x6f h GLU 40 Ca 0.64 -0.64 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x6f h GLU 40 Cb 1.82 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 30.70 1x6f h GLU 40 CO -0.49 1.28 0.11 1.25 -1.16 0.00 0.00 179.01 179.99 1x6f h LEU 41 N 0.10 0.24 -1.17 1.33 5.85 0.35 0.20 115.31 122.21 1x6f h LEU 41 Ca -0.29 -0.07 0.30 0.00 0.84 0.00 0.00 57.88 58.66 1x6f h LEU 41 Cb 2.09 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.93 1x6f h LEU 41 CO 0.19 0.24 0.65 0.74 -0.34 0.00 0.00 178.44 179.91 1x6f h THR 42 N 0.22 0.40 0.00 1.05 2.02 -0.63 0.20 112.91 116.16 1x6f h THR 42 Ca 0.07 -0.13 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 1x6f h THR 42 Cb 0.05 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 1x6f h THR 42 CO -0.01 0.07 -0.67 -1.28 0.37 0.00 0.00 175.52 173.99 1x6f h SER 43 N 0.38 0.00 -0.71 4.18 0.87 -1.60 -3.31 113.55 113.37 1x6f h SER 43 Ca 0.68 -0.66 0.16 0.00 -1.23 0.00 0.00 61.79 60.74 1x6f h SER 43 Cb 1.64 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.48 1x6f h SER 43 CO -0.46 1.22 0.02 -0.74 -0.53 0.00 0.00 176.83 176.35 1x6f h HIS 44 N -1.00 -0.01 0.14 2.24 6.17 0.18 -1.41 115.15 121.45 1x6f h HIS 44 Ca -0.18 0.05 0.02 0.00 0.71 0.00 0.00 60.37 60.97 1x6f h HIS 44 Cb 1.10 0.12 -0.04 0.00 2.52 0.00 0.00 27.41 31.10 1x6f h HIS 44 CO 0.15 -0.20 -0.32 -0.07 0.71 0.00 0.00 177.93 178.20 1x6f h LEU 45 N 0.12 -0.91 -0.89 0.26 3.38 -0.80 -1.82 115.31 114.66 1x6f h LEU 45 Ca 0.38 0.10 0.37 0.00 0.09 0.00 0.00 57.88 58.82 1x6f h LEU 45 Cb 0.66 0.34 -0.16 0.00 0.09 0.00 0.00 40.66 41.59 1x6f h LEU 45 CO -0.60 -0.41 0.47 0.59 0.09 0.00 0.00 178.44 178.57 1x6f n ASN 46 N -5.42 0.30 -0.20 -0.43 3.02 -0.54 0.15 115.26 112.14 1x6f n ASN 46 Ca -0.07 1.47 0.00 0.00 -0.03 0.00 0.00 54.58 55.95 1x6f n ASN 46 Cb 0.33 -0.71 0.11 0.00 -0.61 0.00 0.00 39.78 38.89 1x6f n ASN 46 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1x6f h ILE 47 N 0.00 0.72 -0.44 2.41 2.04 -1.24 -1.75 117.51 119.25 1x6f h ILE 47 Ca 0.75 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 66.57 1x6f h ILE 47 Cb 1.97 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 1x6f h ILE 47 CO -0.69 0.06 0.02 0.45 0.00 0.00 0.00 178.15 178.00 1x6f h HIS 48 N 0.35 0.02 -0.23 1.37 3.86 0.13 0.28 115.15 120.92 1x6f h HIS 48 Ca 0.31 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.61 1x6f h HIS 48 Cb 0.41 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.87 1x6f h HIS 48 CO -0.19 -0.07 -0.33 -0.91 0.86 0.00 0.00 177.93 177.29 1x6f h ASN 49 N 0.14 -1.05 -0.28 2.45 2.35 -1.30 0.42 115.58 118.32 1x6f h ASN 49 Ca 0.22 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 1x6f h ASN 49 Cb 0.31 0.46 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1x6f h ASN 49 CO -0.35 -0.35 0.18 -0.33 -1.65 0.00 0.00 177.43 174.94 1x6f h GLU 50 N -0.35 0.37 -0.38 0.81 3.07 -1.21 -0.45 114.58 116.45 1x6f h GLU 50 Ca 0.12 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.98 1x6f h GLU 50 Cb 0.54 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1x6f h GLU 50 CO -0.42 0.26 0.25 0.93 -1.40 0.00 0.00 179.01 178.63 1x6f h GLU 51 N 0.37 0.42 -0.11 2.33 4.39 -0.22 -2.21 114.58 119.56 1x6f h GLU 51 Ca 0.10 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.58 1x6f h GLU 51 Cb -0.03 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1x6f h GLU 51 CO -0.02 0.28 -0.69 0.35 -1.16 0.00 0.00 179.01 177.77 1x6f h PHE 52 N 0.44 0.90 -0.57 4.33 3.57 0.47 0.15 116.94 126.22 1x6f h PHE 52 Ca 0.15 -0.41 0.11 0.00 3.53 0.00 0.00 57.97 61.35 1x6f h PHE 52 Cb 0.06 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 38.57 1x6f h PHE 52 CO -0.00 1.23 0.02 0.37 -2.23 0.00 0.00 178.31 177.70 1x6f h GLN 53 N 0.32 0.13 0.00 1.11 4.15 -0.47 0.51 115.11 120.87 1x6f h GLN 53 Ca -0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1x6f h GLN 53 Cb 1.33 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.99 1x6f h GLN 53 CO 0.14 0.09 -0.05 -0.22 -1.93 0.00 0.00 178.83 176.86 1x6f h LYS 54 N 0.14 0.00 -1.06 1.69 3.11 -1.57 -3.32 116.57 115.57 1x6f h LYS 54 Ca 0.29 0.00 0.28 0.00 -2.81 0.00 0.00 60.65 58.42 1x6f h LYS 54 Cb 0.46 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.62 1x6f h LYS 54 CO -0.47 0.60 0.71 -0.09 -2.81 0.00 0.00 179.45 177.40 1x6f h ARG 55 N -1.00 0.22 -5.15 1.90 9.65 -0.83 -3.33 114.38 115.85 1x6f h ARG 55 Ca -0.01 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 1x6f h ARG 55 Cb 0.62 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1x6f h ARG 55 CO -0.01 0.15 0.24 0.00 2.80 0.00 0.00 179.97 183.15 1x6f n ALA 56 N -2.59 0.52 -2.93 2.80 0.00 0.18 -4.87 120.51 113.62 1x6f n ALA 56 Ca 0.24 -2.39 -0.16 0.00 0.00 0.00 0.00 53.44 51.13 1x6f n ALA 56 Cb 0.99 -3.38 0.05 0.00 0.00 0.00 0.00 19.45 17.10 1x6f n ALA 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x6f n LYS 57 N 8.16 0.63 -0.73 0.00 4.76 -1.25 -4.96 118.16 124.76 1x6f n LYS 57 Ca 0.42 -2.01 -0.06 0.00 -2.87 0.00 0.00 58.31 53.79 1x6f n LYS 57 Cb 0.47 -0.21 -0.09 0.00 -1.84 0.00 0.00 35.03 33.36 1x6f n LYS 57 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1x6f n ARG 58 N -1.90 1.46 -0.85 1.97 1.85 -1.26 -4.94 116.66 112.99 1x6f n ARG 58 Ca 0.11 -0.51 -0.36 0.00 -1.00 0.00 0.00 57.85 56.09 1x6f n ARG 58 Cb 0.39 -1.54 0.10 0.00 -1.05 0.00 0.00 32.46 30.36 1x6f n ARG 58 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1x6f n GLN 59 N 2.06 -0.72 -0.03 2.89 1.13 -1.26 -4.99 117.38 116.45 1x6f n GLN 59 Ca 0.22 -0.20 -0.05 0.00 -1.94 0.00 0.00 57.00 55.03 1x6f n GLN 59 Cb 0.69 -1.34 -0.02 0.00 0.11 0.00 0.00 30.24 29.69 1x6f n GLN 59 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1x6f n GLU 60 N 0.34 0.30 -3.02 -1.09 -0.58 -1.26 -4.97 120.64 110.37 1x6f n GLU 60 Ca -0.01 0.12 -0.41 0.00 -0.42 0.00 0.00 57.16 56.44 1x6f n GLU 60 Cb 0.68 -1.01 -0.05 0.00 -0.57 0.00 0.00 31.44 30.49 1x6f n GLU 60 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1x6f s ARG 61 N -2.45 4.16 -0.31 3.49 0.52 -1.26 -5.02 118.95 118.08 1x6f s ARG 61 Ca -0.16 0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 55.76 1x6f s ARG 61 Cb 0.02 -3.63 0.10 0.00 0.52 0.00 0.00 34.95 31.96 1x6f s ARG 61 CO 0.24 -0.42 0.11 1.03 0.02 0.00 0.00 175.30 176.28 1x6f s ARG 62 N 2.53 0.60 0.21 3.54 1.81 -1.26 -5.12 118.95 121.27 1x6f s ARG 62 Ca 0.30 -0.98 -0.09 0.00 -1.72 0.00 0.00 55.73 53.25 1x6f s ARG 62 Cb -0.16 -1.79 -0.01 0.00 -0.45 0.00 0.00 34.95 32.54 1x6f s ARG 62 CO 0.08 -1.00 0.33 0.15 -0.68 0.00 0.00 175.30 174.18 1x6f s LYS 63 N 1.69 1.35 -0.11 3.54 1.02 -1.26 -5.17 119.74 120.79 1x6f s LYS 63 Ca 0.10 -1.33 -0.07 0.00 0.02 0.00 0.00 55.97 54.69 1x6f s LYS 63 Cb -0.17 0.39 0.04 0.00 -0.52 0.00 0.00 37.83 37.57 1x6f s LYS 63 CO -0.27 -0.52 0.26 1.14 -0.92 0.00 0.00 175.35 175.05 1x6f s GLN 64 N -4.04 0.26 0.89 1.68 -2.07 -1.26 -5.16 119.66 109.96 1x6f s GLN 64 Ca 0.25 0.48 -0.11 0.00 -1.82 0.00 0.00 55.36 54.16 1x6f s GLN 64 Cb 0.02 -0.00 0.13 0.00 -1.09 0.00 0.00 33.01 32.07 1x6f s GLN 64 CO 0.07 -0.11 1.09 -0.48 -1.32 0.00 0.00 175.29 174.55 1x6f s LEU 65 N 0.79 2.40 0.30 2.60 2.34 -1.26 -5.06 118.68 120.81 1x6f s LEU 65 Ca -0.05 1.67 0.07 0.00 0.06 0.00 0.00 54.13 55.87 1x6f s LEU 65 Cb -0.07 -4.10 -0.03 0.00 -0.56 0.00 0.00 46.19 41.43 1x6f s LEU 65 CO -0.05 -2.69 0.25 -0.76 -1.06 0.00 0.00 176.35 172.04 1x6f s LEU 66 N -6.29 3.68 -0.54 1.48 1.43 -1.26 -5.09 118.68 112.09 1x6f s LEU 66 Ca 0.64 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1x6f s LEU 66 Cb -0.19 -2.26 0.15 0.00 0.03 0.00 0.00 46.19 43.92 1x6f s LEU 66 CO 0.57 -0.23 0.33 -0.55 0.23 0.00 0.00 176.35 176.70 1x6f s SER 67 N -3.94 3.98 0.39 2.29 0.15 -1.26 -5.10 113.70 110.22 1x6f s SER 67 Ca 0.38 -3.16 -0.22 0.00 0.70 0.00 0.00 55.95 53.65 1x6f s SER 67 Cb -0.07 -1.33 -0.14 0.00 -1.71 0.00 0.00 66.02 62.77 1x6f s SER 67 CO 0.26 -0.19 0.32 0.29 1.20 0.00 0.00 173.24 175.12 1x6f n LYS 68 N 2.87 0.25 -3.72 5.44 5.02 -1.26 -4.99 118.16 121.77 1x6f n LYS 68 Ca 0.13 0.09 -0.12 0.00 -2.02 0.00 0.00 58.31 56.39 1x6f n LYS 68 Cb 0.35 -1.22 -0.12 0.00 -0.02 0.00 0.00 35.03 34.02 1x6f n LYS 68 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x6f s GLN 69 N -1.25 0.25 0.43 1.97 0.74 -1.26 -5.17 119.66 115.37 1x6f s GLN 69 Ca 0.61 0.61 0.08 0.00 0.05 0.00 0.00 55.36 56.71 1x6f s GLN 69 Cb -0.65 -0.09 -0.01 0.00 1.10 0.00 0.00 33.01 33.36 1x6f s GLN 69 CO 0.60 -0.17 0.42 0.15 -0.55 0.00 0.00 175.29 175.74 1x6f s LYS 70 N 1.37 2.53 0.14 1.67 -0.14 -1.26 -5.14 119.74 118.91 1x6f s LYS 70 Ca -0.09 -1.54 -0.24 0.00 -1.36 0.00 0.00 55.97 52.74 1x6f s LYS 70 Cb -0.10 -2.41 0.07 0.00 -1.68 0.00 0.00 37.83 33.71 1x6f s LYS 70 CO -0.10 -0.26 0.72 1.52 -0.76 0.00 0.00 175.35 176.48 1x6f s TYR 71 N -2.49 -0.39 0.07 3.18 1.13 -1.26 -4.99 117.35 112.60 1x6f s TYR 71 Ca 0.48 0.15 0.02 0.00 -1.41 0.00 0.00 57.07 56.32 1x6f s TYR 71 Cb -0.04 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 1x6f s TYR 71 CO 0.28 -0.84 0.12 0.00 -2.51 0.00 0.00 175.55 172.60 1x6f s ALA 72 N -3.58 3.69 -0.25 9.51 0.00 -1.26 -5.04 121.76 124.83 1x6f s ALA 72 Ca 0.05 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 50.88 1x6f s ALA 72 Cb -0.02 -1.55 -0.15 0.00 0.00 0.00 0.00 23.12 21.40 1x6f s ALA 72 CO -0.07 0.77 -0.11 -0.40 0.00 0.00 0.00 175.76 175.95 1x6f n ASP 73 N 0.43 1.92 -1.91 0.00 5.75 -1.26 -4.82 116.55 116.65 1x6f n ASP 73 Ca -0.08 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 1x6f n ASP 73 Cb 0.51 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1x6f n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x6f n GLY 74 N 1.33 -5.17 0.50 6.12 0.00 -1.26 -4.67 105.19 102.03 1x6f n GLY 74 Ca -0.45 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 1x6f n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6f h ALA 75 N 3.56 -1.20 -2.47 4.61 0.00 -1.99 -3.42 119.26 118.36 1x6f h ALA 75 Ca 0.00 -0.23 -0.53 0.00 0.00 0.00 0.00 54.91 54.14 1x6f h ALA 75 Cb 0.00 0.60 0.02 0.00 0.00 0.00 0.00 17.79 18.41 1x6f h ALA 75 CO 0.00 -1.19 0.95 0.12 0.00 0.00 0.00 179.25 179.12 1x6f s PHE 76 N -5.95 2.61 -0.95 0.00 2.19 -1.26 -4.80 117.98 109.82 1x6f s PHE 76 Ca -0.19 0.46 -0.32 0.00 0.33 0.00 0.00 56.93 57.21 1x6f s PHE 76 Cb 0.03 -3.91 -0.22 0.00 -1.31 0.00 0.00 43.02 37.62 1x6f s PHE 76 CO 0.61 -3.55 2.65 0.00 1.83 0.00 0.00 175.22 176.76 1x6f n ALA 77 N 5.25 0.29 -3.58 11.12 0.00 -1.26 -4.81 120.51 127.52 1x6f n ALA 77 Ca 0.15 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 1x6f n ALA 77 Cb 0.41 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.54 1x6f n ALA 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x6f s ASP 78 N 8.79 -0.37 -0.11 0.00 2.15 -1.26 -5.16 116.67 120.71 1x6f s ASP 78 Ca 1.34 0.39 -0.03 0.00 0.43 0.00 0.00 52.55 54.68 1x6f s ASP 78 Cb -1.26 0.30 0.05 0.00 -0.30 0.00 0.00 42.92 41.71 1x6f s ASP 78 CO 0.50 -0.35 0.13 0.12 -0.17 0.00 0.00 175.17 175.40 1x6f s PHE 79 N -1.16 -0.05 0.01 -5.34 5.36 -1.26 -4.73 117.98 110.82 1x6f s PHE 79 Ca -0.02 0.25 0.01 0.00 -0.96 0.00 0.00 56.93 56.22 1x6f s PHE 79 Cb -0.00 -0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 42.23 1x6f s PHE 79 CO 0.01 -0.36 -0.04 0.15 -1.46 0.00 0.00 175.22 173.53 1x6f s LYS 80 N 2.23 0.31 0.20 10.12 1.02 -1.26 -5.05 119.74 127.30 1x6f s LYS 80 Ca 0.04 -0.37 -0.18 0.00 0.02 0.00 0.00 55.97 55.49 1x6f s LYS 80 Cb -0.13 -0.15 0.17 0.00 -0.52 0.00 0.00 37.83 37.19 1x6f s LYS 80 CO -0.07 0.03 1.61 1.96 -0.92 0.00 0.00 175.35 177.96 1x6f h GLN 81 N 5.38 -0.10 -7.11 1.68 1.08 -1.99 -3.42 115.11 110.64 1x6f h GLN 81 Ca -0.30 0.01 -0.62 0.00 -1.45 0.00 0.00 58.65 56.29 1x6f h GLN 81 Cb 1.20 0.02 -0.27 0.00 -0.05 0.00 0.00 27.48 28.38 1x6f h GLN 81 CO 0.46 -0.07 -0.94 -1.91 -0.95 0.00 0.00 178.83 175.42 1x6f n GLU 82 N -5.44 -0.99 -1.22 1.46 0.00 -1.26 -4.63 120.64 108.57 1x6f n GLU 82 Ca 0.05 0.13 -0.48 0.00 0.00 0.00 0.00 57.16 56.86 1x6f n GLU 82 Cb 0.34 -4.09 -0.07 0.00 0.00 0.00 0.00 31.44 27.63 1x6f n GLU 82 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1x6f n SER 83 N -2.72 0.61 -2.98 4.31 3.41 -1.26 -4.89 113.62 110.10 1x6f n SER 83 Ca -0.15 0.86 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1x6f n SER 83 Cb 0.60 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1x6f n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6f n GLY 84 N 2.37 -3.65 3.76 5.00 0.00 -1.26 -4.93 105.19 106.47 1x6f n GLY 84 Ca 0.20 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 1x6f n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6f s PRO 85 N -2.96 4.45 -0.94 1.61 0.04 -1.26 -4.91 135.00 131.02 1x6f s PRO 85 Ca 0.00 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 1x6f s PRO 85 Cb 0.00 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 1x6f s PRO 85 CO 0.00 -0.09 1.97 -1.54 0.04 0.00 0.00 177.00 177.38 1x6f s SER 86 N -0.35 5.03 0.30 6.66 1.04 -1.26 -4.80 113.70 120.32 1x6f s SER 86 Ca 0.50 -0.78 0.10 0.00 0.48 0.00 0.00 55.95 56.25 1x6f s SER 86 Cb -0.37 -2.56 0.91 0.00 0.10 0.00 0.00 66.02 64.11 1x6f s SER 86 CO 0.45 -2.88 1.39 -1.54 0.98 0.00 0.00 173.24 171.64 1x6f n SER 87 N 14.38 0.09 0.00 7.02 3.41 -1.26 -5.35 113.62 131.91 1x6f n SER 87 Ca 0.41 1.48 0.00 0.00 -0.26 0.00 0.00 58.87 60.50 1x6f n SER 87 Cb 0.47 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1x6f n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49