#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 -0.68 -0.24 1.61 0.01 -1.26 -5.17 113.70 107.97 1x6f s SER 2 Ca 0.00 1.01 -0.28 0.00 1.31 0.00 0.00 55.95 57.99 1x6f s SER 2 Cb 0.00 0.93 0.14 0.00 0.21 0.00 0.00 66.02 67.30 1x6f s SER 2 CO 0.00 -0.44 1.12 -0.55 0.41 0.00 0.00 173.24 173.78 1x6f s SER 3 N -0.51 -0.30 0.00 2.44 0.15 -1.26 -5.12 113.70 109.10 1x6f s SER 3 Ca -0.06 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1x6f s SER 3 Cb -0.02 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1x6f s SER 3 CO 0.06 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1x6f n GLY 4 N 1.32 0.29 3.69 9.45 0.00 -1.26 -5.03 105.19 113.66 1x6f n GLY 4 Ca -0.10 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1x6f n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x6f n SER 5 N 0.00 -1.43 -4.93 1.61 7.64 -1.26 -4.98 113.62 110.27 1x6f n SER 5 Ca 0.00 -0.83 -0.25 0.00 1.01 0.00 0.00 58.87 58.80 1x6f n SER 5 Cb 0.00 -4.05 -0.01 0.00 -1.01 0.00 0.00 64.21 59.14 1x6f n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x6f s SER 6 N -4.31 6.31 0.14 6.43 0.01 -1.26 -5.11 113.70 115.91 1x6f s SER 6 Ca 0.03 0.53 -0.14 0.00 1.31 0.00 0.00 55.95 57.69 1x6f s SER 6 Cb -0.01 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.17 1x6f s SER 6 CO 0.81 -0.31 0.37 -0.83 0.41 0.00 0.00 173.24 173.69 1x6f s GLY 7 N -3.93 -0.03 -0.28 3.44 0.00 -1.26 -5.17 107.32 100.09 1x6f s GLY 7 Ca 0.41 -0.34 -0.26 0.00 0.00 0.00 0.00 44.72 44.53 1x6f s GLY 7 CO 0.36 -0.48 1.27 0.48 0.00 0.00 0.00 173.10 174.73 1x6f s LEU 8 N -2.86 -0.20 -0.29 0.66 -0.00 -1.26 -5.17 118.68 109.56 1x6f s LEU 8 Ca 0.07 0.35 -0.14 0.00 -0.00 0.00 0.00 54.13 54.41 1x6f s LEU 8 Cb 0.02 1.40 0.13 0.00 -0.00 0.00 0.00 46.19 47.74 1x6f s LEU 8 CO -0.08 -0.09 0.81 -1.59 -0.00 0.00 0.00 176.35 175.41 1x6f s LYS 9 N -0.14 0.51 0.30 1.48 0.00 -1.26 -5.18 119.74 115.45 1x6f s LYS 9 Ca 0.06 1.04 0.04 0.00 0.00 0.00 0.00 55.97 57.10 1x6f s LYS 9 Cb -0.04 0.36 -0.03 0.00 0.00 0.00 0.00 37.83 38.12 1x6f s LYS 9 CO -0.10 -0.13 0.28 1.03 0.00 0.00 0.00 175.35 176.42 1x6f s ARG 10 N 2.02 1.66 0.22 1.78 1.81 -1.26 -5.19 118.95 120.00 1x6f s ARG 10 Ca -0.07 -1.89 -0.00 0.00 -1.72 0.00 0.00 55.73 52.05 1x6f s ARG 10 Cb -0.07 0.34 -0.04 0.00 -0.45 0.00 0.00 34.95 34.73 1x6f s ARG 10 CO -0.18 -0.62 0.12 0.16 -0.68 0.00 0.00 175.30 174.10 1x6f s ASP 11 N -3.30 0.54 0.30 0.23 1.47 -1.26 -5.18 116.67 109.46 1x6f s ASP 11 Ca 0.39 -1.39 0.03 0.00 1.18 0.00 0.00 52.55 52.76 1x6f s ASP 11 Cb 0.03 0.30 -0.06 0.00 -0.34 0.00 0.00 42.92 42.85 1x6f s ASP 11 CO 0.23 -0.80 0.07 0.72 0.68 0.00 0.00 175.17 176.08 1x6f s PHE 12 N -4.01 1.79 0.36 2.11 -0.71 -1.26 -5.17 117.98 111.08 1x6f s PHE 12 Ca 0.38 -1.05 0.05 0.00 -1.04 0.00 0.00 56.93 55.27 1x6f s PHE 12 Cb 0.07 -1.12 -0.07 0.00 -1.21 0.00 0.00 43.02 40.69 1x6f s PHE 12 CO 0.12 -0.14 0.04 0.96 -1.34 0.00 0.00 175.22 174.86 1x6f s ILE 13 N -3.49 1.51 -0.05 -4.49 -5.25 -1.26 -5.16 121.20 103.01 1x6f s ILE 13 Ca 0.37 -2.00 -0.15 0.00 -0.99 0.00 0.00 60.65 57.88 1x6f s ILE 13 Cb 0.08 -2.86 0.03 0.00 2.95 0.00 0.00 42.46 42.66 1x6f s ILE 13 CO 0.15 -0.01 0.34 -0.63 -1.79 0.00 0.00 174.94 172.99 1x6f s ILE 14 N -3.07 0.04 0.19 8.37 1.01 -1.26 -5.17 121.20 121.31 1x6f s ILE 14 Ca 0.36 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.78 1x6f s ILE 14 Cb 0.09 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1x6f s ILE 14 CO 0.16 -0.17 -0.18 -0.76 0.00 0.00 0.00 174.94 173.99 1x6f s LEU 15 N -0.87 2.48 0.14 2.97 2.01 -1.26 -5.16 118.68 119.00 1x6f s LEU 15 Ca -0.09 -0.92 -0.14 0.00 0.01 0.00 0.00 54.13 52.99 1x6f s LEU 15 Cb -0.04 -0.86 0.02 0.00 0.01 0.00 0.00 46.19 45.32 1x6f s LEU 15 CO 0.03 -0.04 0.38 -0.83 1.01 0.00 0.00 176.35 176.90 1x6f s GLY 16 N -2.91 -0.05 0.02 -3.19 0.00 -1.26 -5.17 107.32 94.75 1x6f s GLY 16 Ca 0.19 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.61 1x6f s GLY 16 CO 0.08 -0.45 -0.04 -1.31 0.00 0.00 0.00 173.10 171.38 1x6f s ASN 17 N -2.86 0.40 0.02 1.64 -0.87 -1.26 -5.16 114.94 106.85 1x6f s ASN 17 Ca 0.07 -0.34 -0.03 0.00 -1.57 0.00 0.00 52.86 50.99 1x6f s ASN 17 Cb 0.02 0.04 -0.01 0.00 -0.02 0.00 0.00 41.25 41.27 1x6f s ASN 17 CO -0.08 -0.15 0.03 -0.83 -2.57 0.00 0.00 177.10 173.50 1x6f s GLY 18 N -0.97 0.19 0.94 0.66 0.00 -1.26 -5.16 107.32 101.73 1x6f s GLY 18 Ca -0.08 -0.50 -0.12 0.00 0.00 0.00 0.00 44.72 44.01 1x6f s GLY 18 CO -0.00 -0.61 1.09 2.56 0.00 0.00 0.00 173.10 176.14 1x6f s PRO 19 N -1.77 0.91 0.08 2.90 0.04 -1.26 -5.08 135.00 130.82 1x6f s PRO 19 Ca -0.13 0.70 0.01 0.00 0.04 0.00 0.00 61.00 61.62 1x6f s PRO 19 Cb -0.07 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1x6f s PRO 19 CO -0.01 -2.45 -0.06 1.03 0.04 0.00 0.00 177.00 175.55 1x6f s ARG 20 N -4.95 0.74 0.17 4.56 1.81 -1.26 -5.12 118.95 114.90 1x6f s ARG 20 Ca 0.64 -1.22 -0.34 0.00 -1.72 0.00 0.00 55.73 53.09 1x6f s ARG 20 Cb -0.18 -0.12 -0.15 0.00 -0.45 0.00 0.00 34.95 34.05 1x6f s ARG 20 CO 0.57 -0.03 1.37 -0.11 -0.68 0.00 0.00 175.30 176.42 1x6f n LEU 21 N 0.21 2.37 -4.93 2.53 7.94 -1.26 -4.97 117.00 118.90 1x6f n LEU 21 Ca -0.14 1.12 -0.25 0.00 -1.11 0.00 0.00 56.01 55.63 1x6f n LEU 21 Cb 0.60 -1.32 0.03 0.00 0.53 0.00 0.00 43.42 43.26 1x6f n LEU 21 CO 0.28 -0.77 0.49 0.00 -1.11 0.00 0.00 177.39 176.28 1x6f s GLN 22 N 0.13 2.82 0.01 1.96 -2.07 -1.26 -5.10 119.66 116.15 1x6f s GLN 22 Ca 0.76 -0.18 0.07 0.00 -1.82 0.00 0.00 55.36 54.19 1x6f s GLN 22 Cb -0.78 -2.32 -0.03 0.00 -1.09 0.00 0.00 33.01 28.79 1x6f s GLN 22 CO 0.47 -0.70 -0.19 -0.80 -1.32 0.00 0.00 175.29 172.75 1x6f s ASN 23 N -4.33 3.67 -0.16 12.60 -0.87 -1.26 -5.02 114.94 119.57 1x6f s ASN 23 Ca 0.54 -0.40 -0.02 0.00 -1.57 0.00 0.00 52.86 51.41 1x6f s ASN 23 Cb -0.10 -0.59 0.01 0.00 -0.02 0.00 0.00 41.25 40.55 1x6f s ASN 23 CO 0.43 0.29 2.49 -1.54 -2.57 0.00 0.00 177.10 176.20 1x6f n SER 24 N 1.88 5.83 -4.72 -1.22 3.41 -1.26 -4.95 113.62 112.59 1x6f n SER 24 Ca -0.16 -2.74 -0.43 0.00 -0.26 0.00 0.00 58.87 55.28 1x6f n SER 24 Cb 0.52 -1.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.26 1x6f n SER 24 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x6f n THR 25 N 1.29 1.21 -2.63 6.66 -2.24 -1.26 -4.82 114.28 112.49 1x6f n THR 25 Ca 0.26 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 1x6f n THR 25 Cb 0.62 -1.76 -0.02 0.00 -2.10 0.00 0.00 70.33 67.07 1x6f n THR 25 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1x6f s TYR 26 N -0.26 3.30 -0.84 4.78 1.51 0.15 -4.77 117.35 121.22 1x6f s TYR 26 Ca 0.63 1.42 -0.19 0.00 -1.01 0.00 0.00 57.07 57.93 1x6f s TYR 26 Cb -0.55 -3.29 0.13 0.00 -0.11 0.00 0.00 41.96 38.13 1x6f s TYR 26 CO 0.52 -0.63 1.02 -1.14 -1.11 0.00 0.00 175.55 174.22 1x6f s GLN 27 N 2.99 3.47 -0.26 -0.62 2.00 -1.26 -0.97 119.66 125.01 1x6f s GLN 27 Ca 0.47 -1.65 -0.41 0.00 -2.00 0.00 0.00 55.36 51.76 1x6f s GLN 27 Cb -0.17 -4.70 -0.17 0.00 0.80 0.00 0.00 33.01 28.77 1x6f s GLN 27 CO 0.10 -1.71 1.62 0.00 -0.50 0.00 0.00 175.29 174.81 1x6f n LYS 29 N 4.49 1.58 -0.05 0.00 0.00 -1.26 -0.07 118.16 122.85 1x6f n LYS 29 Ca 0.26 -0.55 -0.09 0.00 -0.00 0.00 0.00 58.31 57.93 1x6f n LYS 29 Cb 0.09 -1.45 -0.05 0.00 -0.00 0.00 0.00 35.03 33.62 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 0.04 0.00 -0.26 5.58 8.25 -1.26 -4.79 115.22 122.78 1x6f n HIS 30 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1x6f n HIS 30 Cb 0.32 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 -5.05 -3.37 0.00 8.00 0.90 -5.01 116.55 111.98 1x6f n ASP 32 Ca 0.00 -0.16 -0.18 0.00 0.71 0.00 0.00 54.79 55.16 1x6f n ASP 32 Cb 0.10 -3.98 0.12 0.00 -0.02 0.00 0.00 41.12 37.34 1x6f n ASP 32 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1x6f n SER 33 N -1.44 0.30 -3.90 -2.24 7.64 -1.23 -4.75 113.62 108.01 1x6f n SER 33 Ca -0.12 -1.44 -0.23 0.00 1.01 0.00 0.00 58.87 58.09 1x6f n SER 33 Cb 0.61 -0.60 -0.17 0.00 -1.01 0.00 0.00 64.21 63.05 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 -4.69 1.16 0.25 1.43 1.02 -1.25 -1.89 119.74 115.77 1x6f s LYS 34 Ca 0.48 -0.17 0.09 0.00 0.02 0.00 0.00 55.97 56.39 1x6f s LYS 34 Cb -0.02 -1.19 -0.05 0.00 -0.52 0.00 0.00 37.83 36.05 1x6f s LYS 34 CO 0.33 -0.15 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.95 1x6f s LEU 35 N 1.28 2.57 -0.03 3.17 1.02 -0.14 -4.90 118.68 121.66 1x6f s LEU 35 Ca -0.04 -1.06 -0.23 0.00 0.02 0.00 0.00 54.13 52.81 1x6f s LEU 35 Cb -0.14 -0.83 -0.17 0.00 0.02 0.00 0.00 46.19 45.07 1x6f s LEU 35 CO -0.02 -0.13 1.06 1.56 0.02 0.00 0.00 176.35 178.84 1x6f h GLN 36 N 2.38 -0.22 -2.99 1.70 1.08 -1.91 0.42 115.11 115.57 1x6f h GLN 36 Ca -0.39 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 56.85 1x6f h GLN 36 Cb 1.24 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.69 1x6f h GLN 36 CO 0.63 0.20 0.26 0.45 -0.95 0.00 0.00 178.83 179.41 1x6f s SER 37 N -5.41 -0.12 0.24 1.46 0.15 -1.26 -4.38 113.70 104.37 1x6f s SER 37 Ca -0.14 -0.88 -0.16 0.00 0.70 0.00 0.00 55.95 55.47 1x6f s SER 37 Cb 0.01 0.79 0.27 0.00 -1.71 0.00 0.00 66.02 65.38 1x6f s SER 37 CO 0.54 -1.52 1.56 0.74 1.20 0.00 0.00 173.24 175.76 1x6f h THR 38 N 2.00 0.01 -0.90 6.45 2.02 -1.96 0.55 112.91 121.07 1x6f h THR 38 Ca -0.26 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.27 1x6f h THR 38 Cb 1.25 0.01 -0.13 0.00 -1.74 0.00 0.00 68.15 67.54 1x6f h THR 38 CO 0.32 0.00 0.52 0.00 0.37 0.00 0.00 175.52 176.73 1x6f n ALA 39 N -3.48 0.91 0.13 6.16 0.00 -1.26 0.20 120.51 123.17 1x6f n ALA 39 Ca 0.11 0.78 -0.24 0.00 0.00 0.00 0.00 53.44 54.09 1x6f n ALA 39 Cb 0.42 -0.83 -0.16 0.00 0.00 0.00 0.00 19.45 18.88 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 0.50 -0.13 0.00 4.39 -0.32 -3.34 114.58 115.68 1x6f h GLU 40 Ca 0.69 -0.85 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1x6f h GLU 40 Cb 1.96 0.32 -0.01 0.00 -0.10 0.00 0.00 28.75 30.92 1x6f h GLU 40 CO -0.54 1.41 0.08 1.25 -1.16 0.00 0.00 179.01 180.04 1x6f h LEU 41 N 0.06 0.13 -1.64 1.33 5.85 0.26 0.29 115.31 121.60 1x6f h LEU 41 Ca -0.25 -0.00 0.31 0.00 0.84 0.00 0.00 57.88 58.78 1x6f h LEU 41 Cb 2.09 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 43.01 1x6f h LEU 41 CO 0.25 0.10 0.76 0.74 -0.34 0.00 0.00 178.44 179.95 1x6f h THR 42 N 0.17 0.44 0.08 1.05 2.02 -0.79 0.49 112.91 116.37 1x6f h THR 42 Ca 0.05 -0.07 -0.34 0.00 0.77 0.00 0.00 66.41 66.82 1x6f h THR 42 Cb -0.01 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1x6f h THR 42 CO -0.02 0.04 -1.90 -1.20 0.37 0.00 0.00 175.52 172.80 1x6f n SER 43 N -4.44 1.65 0.34 4.18 7.64 -0.81 -4.03 113.62 118.15 1x6f n SER 43 Ca 0.26 0.28 -0.14 0.00 1.01 0.00 0.00 58.87 60.28 1x6f n SER 43 Cb 1.08 -0.55 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 1x6f n SER 43 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1x6f h HIS 44 N 0.04 -0.84 -0.97 1.43 6.17 0.19 -3.19 115.15 117.99 1x6f h HIS 44 Ca -0.38 -0.02 0.30 0.00 0.71 0.00 0.00 60.37 60.99 1x6f h HIS 44 Cb 2.03 0.28 -0.18 0.00 2.52 0.00 0.00 27.41 32.06 1x6f h HIS 44 CO 0.05 -0.52 0.20 -0.07 0.71 0.00 0.00 177.93 178.29 1x6f h LEU 45 N -1.23 -0.19 -0.97 0.26 3.38 -0.35 0.65 115.31 116.87 1x6f h LEU 45 Ca -0.09 0.26 0.31 0.00 0.09 0.00 0.00 57.88 58.45 1x6f h LEU 45 Cb 0.69 0.39 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 1x6f h LEU 45 CO 0.15 -0.34 0.44 0.78 0.09 0.00 0.00 178.44 179.56 1x6f h ASN 46 N 0.05 0.28 -0.99 -0.43 -0.26 -1.69 0.70 115.58 113.24 1x6f h ASN 46 Ca 0.65 0.21 0.22 0.00 -0.56 0.00 0.00 56.30 56.83 1x6f h ASN 46 Cb 1.47 0.22 -0.09 0.00 -1.06 0.00 0.00 38.32 38.85 1x6f h ASN 46 CO -0.84 -0.20 0.63 0.40 -1.06 0.00 0.00 177.43 176.36 1x6f h ILE 47 N 0.22 0.62 0.23 2.81 2.04 0.22 -0.31 117.51 123.35 1x6f h ILE 47 Ca 0.69 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 66.36 1x6f h ILE 47 Cb 1.57 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1x6f h ILE 47 CO -0.67 0.10 -0.11 0.45 0.00 0.00 0.00 178.15 177.92 1x6f h HIS 48 N 0.53 -0.28 -0.80 1.37 3.86 0.30 -2.87 115.15 117.27 1x6f h HIS 48 Ca 0.56 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.94 1x6f h HIS 48 Cb 1.21 0.09 -0.15 0.00 1.06 0.00 0.00 27.41 29.63 1x6f h HIS 48 CO -0.00 -0.07 -0.10 -0.91 0.86 0.00 0.00 177.93 177.71 1x6f h ASN 49 N -1.04 -0.56 -0.55 2.45 2.35 -1.12 0.72 115.58 117.83 1x6f h ASN 49 Ca -0.03 0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1x6f h ASN 49 Cb 0.34 0.43 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 1x6f h ASN 49 CO 0.05 -0.24 0.30 1.05 -1.65 0.00 0.00 177.43 176.94 1x6f h GLU 50 N 0.04 0.78 -0.26 0.81 4.11 -1.18 -2.53 114.58 116.36 1x6f h GLU 50 Ca 0.41 -0.08 -0.20 0.00 0.07 0.00 0.00 59.36 59.57 1x6f h GLU 50 Cb 0.70 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1x6f h GLU 50 CO -0.77 0.59 -0.61 0.93 0.07 0.00 0.00 179.01 179.22 1x6f h GLU 51 N 0.79 0.87 -0.85 1.06 3.07 0.47 -3.20 114.58 116.79 1x6f h GLU 51 Ca 0.20 -0.59 0.21 0.00 -0.50 0.00 0.00 59.36 58.69 1x6f h GLU 51 Cb 0.04 0.08 -0.13 0.00 -0.84 0.00 0.00 28.75 27.90 1x6f h GLU 51 CO -0.03 1.22 0.25 0.35 -1.40 0.00 0.00 179.01 179.40 1x6f h PHE 52 N 0.65 0.39 0.48 4.33 3.57 0.05 -1.04 116.94 125.38 1x6f h PHE 52 Ca -0.00 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1x6f h PHE 52 Cb 1.22 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1x6f h PHE 52 CO 0.08 -0.15 -0.31 1.96 -2.23 0.00 0.00 178.31 177.67 1x6f h GLN 53 N 0.26 -0.73 -0.89 1.11 4.20 -1.54 -2.68 115.11 114.83 1x6f h GLN 53 Ca 0.52 0.05 0.25 0.00 0.06 0.00 0.00 58.65 59.52 1x6f h GLN 53 Cb 1.00 0.17 -0.15 0.00 0.30 0.00 0.00 27.48 28.80 1x6f h GLN 53 CO -0.59 -0.49 0.22 -0.22 -0.67 0.00 0.00 178.83 177.08 1x6f h LYS 54 N -0.76 0.17 -0.95 1.46 1.63 -1.28 -0.48 116.57 116.37 1x6f h LYS 54 Ca -0.05 -0.01 0.14 0.00 -0.85 0.00 0.00 60.65 59.88 1x6f h LYS 54 Cb 0.62 -0.04 -0.15 0.00 -0.60 0.00 0.00 32.23 32.07 1x6f h LYS 54 CO 0.05 0.11 -0.39 -2.13 -3.45 0.00 0.00 179.45 173.64 1x6f n ARG 55 N -5.26 -0.24 -0.25 1.90 3.00 -0.93 0.50 116.66 115.38 1x6f n ARG 55 Ca 0.22 1.46 0.18 0.00 -0.00 0.00 0.00 57.85 59.70 1x6f n ARG 55 Cb 0.71 -2.16 0.33 0.00 0.00 0.00 0.00 32.46 31.35 1x6f n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x6f n ALA 56 N -3.48 0.58 -1.12 5.13 0.00 -0.19 -4.54 120.51 116.89 1x6f n ALA 56 Ca 0.09 0.79 -0.41 0.00 0.00 0.00 0.00 53.44 53.90 1x6f n ALA 56 Cb 0.37 -0.68 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 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 -4.87 0.00 -4.50 0.00 4.76 0.18 -4.96 118.16 108.77 1x6f n LYS 57 Ca 0.23 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.44 1x6f n LYS 57 Cb 0.78 -0.95 -0.11 0.00 -1.84 0.00 0.00 35.03 32.91 1x6f n LYS 57 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1x6f s ARG 58 N -0.43 1.74 -0.29 1.97 1.70 -1.26 -5.12 118.95 117.26 1x6f s ARG 58 Ca 0.59 -1.96 -0.16 0.00 -0.47 0.00 0.00 55.73 53.73 1x6f s ARG 58 Cb -0.84 -1.15 0.15 0.00 -0.57 0.00 0.00 34.95 32.55 1x6f s ARG 58 CO 0.44 -0.12 0.99 -1.14 -1.08 0.00 0.00 175.30 174.39 1x6f s GLN 59 N -3.82 0.33 -0.87 3.89 0.74 -1.26 -5.08 119.66 113.59 1x6f s GLN 59 Ca 0.35 0.66 0.01 0.00 0.05 0.00 0.00 55.36 56.43 1x6f s GLN 59 Cb 0.09 0.20 0.28 0.00 1.10 0.00 0.00 33.01 34.68 1x6f s GLN 59 CO 0.16 -0.08 1.15 -0.85 -0.55 0.00 0.00 175.29 175.12 1x6f n GLU 60 N 4.11 3.60 -3.75 1.67 0.28 -1.26 -4.94 120.64 120.35 1x6f n GLU 60 Ca -0.15 -4.62 -0.30 0.00 -0.16 0.00 0.00 57.16 51.93 1x6f n GLU 60 Cb 0.56 -2.39 -0.14 0.00 1.43 0.00 0.00 31.44 30.90 1x6f n GLU 60 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1x6f s ARG 61 N -2.70 1.21 -0.18 3.44 0.52 -1.26 -5.10 118.95 114.88 1x6f s ARG 61 Ca 0.35 -1.82 -0.08 0.00 -0.52 0.00 0.00 55.73 53.67 1x6f s ARG 61 Cb 0.10 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 1x6f s ARG 61 CO 0.05 -1.10 0.07 1.03 0.02 0.00 0.00 175.30 175.36 1x6f s ARG 62 N 0.64 3.99 0.04 3.54 1.81 -1.26 -5.10 118.95 122.61 1x6f s ARG 62 Ca 0.15 -0.33 0.04 0.00 -1.72 0.00 0.00 55.73 53.87 1x6f s ARG 62 Cb -0.23 -3.23 -0.02 0.00 -0.45 0.00 0.00 34.95 31.02 1x6f s ARG 62 CO -0.06 0.28 -0.11 0.21 -0.68 0.00 0.00 175.30 174.94 1x6f s LYS 63 N 0.35 0.76 1.34 3.54 2.36 -1.26 -5.15 119.74 121.68 1x6f s LYS 63 Ca 0.03 -0.71 -0.19 0.00 -2.55 0.00 0.00 55.97 52.55 1x6f s LYS 63 Cb -0.12 -0.70 0.33 0.00 -1.05 0.00 0.00 37.83 36.29 1x6f s LYS 63 CO -0.00 0.17 0.86 1.04 1.55 0.00 0.00 175.35 178.96 1x6f n GLN 64 N 1.85 -3.76 -4.57 4.03 1.13 -1.26 -5.05 117.38 109.75 1x6f n GLN 64 Ca -0.19 -1.10 -0.27 0.00 -1.94 0.00 0.00 57.00 53.50 1x6f n GLN 64 Cb 0.55 -1.98 -0.11 0.00 0.11 0.00 0.00 30.24 28.82 1x6f n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1x6f s LEU 65 N -6.98 2.84 0.02 1.08 1.43 -1.26 -5.16 118.68 110.65 1x6f s LEU 65 Ca 0.66 -1.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1x6f s LEU 65 Cb -0.17 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 1x6f s LEU 65 CO 0.59 -0.37 0.04 -1.48 0.23 0.00 0.00 176.35 175.37 1x6f s LEU 66 N -3.68 1.97 -0.12 1.79 2.34 -1.26 -5.17 118.68 114.55 1x6f s LEU 66 Ca 0.34 -0.41 -0.30 0.00 0.06 0.00 0.00 54.13 53.82 1x6f s LEU 66 Cb 0.07 0.35 0.11 0.00 -0.56 0.00 0.00 46.19 46.17 1x6f s LEU 66 CO 0.18 -0.35 0.93 -0.44 -1.06 0.00 0.00 176.35 175.61 1x6f s SER 67 N -1.53 -0.41 -0.29 1.48 0.01 -1.26 -5.18 113.70 106.51 1x6f s SER 67 Ca -0.14 0.39 -0.24 0.00 1.31 0.00 0.00 55.95 57.27 1x6f s SER 67 Cb -0.08 0.35 0.16 0.00 0.21 0.00 0.00 66.02 66.66 1x6f s SER 67 CO -0.01 -0.43 1.23 -0.75 0.41 0.00 0.00 173.24 173.70 1x6f s LYS 68 N -1.43 0.28 0.11 12.44 2.47 -1.26 -5.19 119.74 127.17 1x6f s LYS 68 Ca -0.02 0.34 -0.20 0.00 -1.56 0.00 0.00 55.97 54.53 1x6f s LYS 68 Cb -0.00 0.13 0.05 0.00 -1.46 0.00 0.00 37.83 36.55 1x6f s LYS 68 CO 0.01 -0.03 0.50 -0.65 0.16 0.00 0.00 175.35 175.33 1x6f s GLN 69 N 0.19 1.12 0.27 4.03 -0.21 -1.26 -5.19 119.66 118.61 1x6f s GLN 69 Ca 0.04 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 54.96 1x6f s GLN 69 Cb -0.05 0.51 -0.04 0.00 1.00 0.00 0.00 33.01 34.43 1x6f s GLN 69 CO -0.11 -0.45 0.20 -1.59 -2.12 0.00 0.00 175.29 171.23 1x6f s LYS 70 N -3.39 1.48 0.27 2.91 -2.85 -1.26 -5.18 119.74 111.71 1x6f s LYS 70 Ca -0.00 -1.83 -0.10 0.00 -1.00 0.00 0.00 55.97 53.04 1x6f s LYS 70 Cb 0.00 0.30 -0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1x6f s LYS 70 CO -0.09 -0.52 0.47 0.71 0.10 0.00 0.00 175.35 176.01 1x6f s TYR 71 N -3.80 0.53 0.21 1.78 1.51 -1.26 -5.19 117.35 111.14 1x6f s TYR 71 Ca 0.40 -0.87 -0.10 0.00 -1.01 0.00 0.00 57.07 55.48 1x6f s TYR 71 Cb 0.05 0.12 -0.01 0.00 -0.11 0.00 0.00 41.96 42.01 1x6f s TYR 71 CO 0.20 -1.02 0.37 0.00 -1.11 0.00 0.00 175.55 173.99 1x6f s ALA 72 N -3.78 -0.00 -0.11 3.71 0.00 -1.26 -5.18 121.76 115.13 1x6f s ALA 72 Ca 0.25 -0.97 -0.33 0.00 0.00 0.00 0.00 51.96 50.91 1x6f s ALA 72 Cb -0.00 1.05 0.13 0.00 0.00 0.00 0.00 23.12 24.29 1x6f s ALA 72 CO 0.11 -0.75 1.18 0.34 0.00 0.00 0.00 175.76 176.63 1x6f s ASP 73 N -3.02 -0.15 0.00 0.00 2.15 -1.26 -5.17 116.67 109.22 1x6f s ASP 73 Ca 0.23 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.15 1x6f s ASP 73 Cb 0.02 0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.83 1x6f s ASP 73 CO 0.06 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 1x6f n GLY 74 N -0.22 3.30 3.64 2.66 0.00 -1.26 -5.19 105.19 108.12 1x6f n GLY 74 Ca -0.03 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -1.48 -0.04 4.61 0.00 -1.26 -5.19 121.76 118.41 1x6f s ALA 75 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 1x6f s ALA 75 Cb 0.00 0.80 0.11 0.00 0.00 0.00 0.00 23.12 24.04 1x6f s ALA 75 CO 0.00 -0.90 1.11 0.12 0.00 0.00 0.00 175.76 176.10 1x6f s PHE 76 N -3.71 -0.15 0.03 0.00 2.19 -1.26 -5.19 117.98 109.88 1x6f s PHE 76 Ca 0.06 0.02 -0.28 0.00 0.33 0.00 0.00 56.93 57.06 1x6f s PHE 76 Cb -0.03 0.55 0.10 0.00 -1.31 0.00 0.00 43.02 42.33 1x6f s PHE 76 CO -0.03 -0.42 1.23 0.00 1.83 0.00 0.00 175.22 177.83 1x6f s ALA 77 N -2.74 -2.17 0.19 11.12 0.00 -1.26 -5.19 121.76 121.71 1x6f s ALA 77 Ca 0.10 0.30 -0.22 0.00 0.00 0.00 0.00 51.96 52.14 1x6f s ALA 77 Cb 0.01 0.60 0.06 0.00 0.00 0.00 0.00 23.12 23.78 1x6f s ALA 77 CO -0.04 -1.09 0.62 0.16 0.00 0.00 0.00 175.76 175.41 1x6f s ASP 78 N -3.29 -0.47 0.36 0.00 -4.77 -1.26 -5.19 116.67 102.05 1x6f s ASP 78 Ca 0.20 -0.17 -0.11 0.00 -3.30 0.00 0.00 52.55 49.17 1x6f s ASP 78 Cb 0.02 0.62 0.03 0.00 -1.09 0.00 0.00 42.92 42.50 1x6f s ASP 78 CO -0.01 -1.05 0.65 0.72 0.70 0.00 0.00 175.17 176.18 1x6f s PHE 79 N -3.80 0.47 0.29 2.11 -0.71 -1.26 -5.19 117.98 109.89 1x6f s PHE 79 Ca 0.04 -0.95 0.04 0.00 -1.04 0.00 0.00 56.93 55.02 1x6f s PHE 79 Cb -0.02 0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 1x6f s PHE 79 CO -0.08 -1.37 0.25 0.15 -1.34 0.00 0.00 175.22 172.83 1x6f s LYS 80 N -2.75 1.60 0.52 1.99 -0.14 -1.26 -5.18 119.74 114.52 1x6f s LYS 80 Ca 0.21 -1.88 0.04 0.00 -1.36 0.00 0.00 55.97 52.98 1x6f s LYS 80 Cb -0.03 0.32 0.01 0.00 -1.68 0.00 0.00 37.83 36.45 1x6f s LYS 80 CO 0.14 -0.58 0.24 1.14 -0.76 0.00 0.00 175.35 175.53 1x6f s GLN 81 N -3.64 2.23 0.42 1.68 -2.07 -1.26 -5.16 119.66 111.87 1x6f s GLN 81 Ca 0.39 -2.15 0.04 0.00 -1.82 0.00 0.00 55.36 51.83 1x6f s GLN 81 Cb 0.03 -1.88 -0.05 0.00 -1.09 0.00 0.00 33.01 30.02 1x6f s GLN 81 CO 0.23 -0.49 0.03 -1.83 -1.32 0.00 0.00 175.29 171.91 1x6f s GLU 82 N -4.11 1.96 0.56 9.60 -1.05 -1.26 -5.16 118.70 119.24 1x6f s GLU 82 Ca 0.24 -2.16 0.02 0.00 -0.15 0.00 0.00 54.97 52.93 1x6f s GLU 82 Cb -0.00 -1.35 0.04 0.00 -0.44 0.00 0.00 34.13 32.38 1x6f s GLU 82 CO 0.15 -0.20 0.77 -1.12 0.95 0.00 0.00 175.26 175.81 1x6f s SER 83 N -3.70 5.20 0.09 0.83 0.01 -1.26 -5.08 113.70 109.79 1x6f s SER 83 Ca 0.26 -0.15 -0.20 0.00 1.31 0.00 0.00 55.95 57.17 1x6f s SER 83 Cb 0.07 -0.68 -0.07 0.00 0.21 0.00 0.00 66.02 65.55 1x6f s SER 83 CO 0.13 -1.19 0.61 -0.83 0.41 0.00 0.00 173.24 172.37 1x6f s GLY 84 N -4.47 2.72 1.04 3.44 0.00 -1.26 -5.07 107.32 103.72 1x6f s GLY 84 Ca 0.58 0.10 -0.13 0.00 0.00 0.00 0.00 44.72 45.27 1x6f s GLY 84 CO 0.38 0.54 1.10 2.56 0.00 0.00 0.00 173.10 177.68 1x6f s PRO 85 N -1.14 0.07 0.02 2.90 0.04 -1.26 -5.00 135.00 130.64 1x6f s PRO 85 Ca 0.30 0.40 -0.27 0.00 0.04 0.00 0.00 61.00 61.47 1x6f s PRO 85 Cb -0.20 -1.71 -0.16 0.00 0.04 0.00 0.00 34.50 32.47 1x6f s PRO 85 CO 0.20 -2.94 1.22 1.03 0.04 0.00 0.00 177.00 176.55 1x6f h SER 86 N -2.04 -0.62 -4.78 6.66 0.87 -2.09 -3.47 113.55 108.09 1x6f h SER 86 Ca -0.54 -0.05 -0.29 0.00 -1.23 0.00 0.00 61.79 59.68 1x6f h SER 86 Cb 1.33 0.16 0.12 0.00 -0.44 0.00 0.00 62.40 63.57 1x6f h SER 86 CO 0.54 -0.26 -0.55 -0.24 -0.53 0.00 0.00 176.83 175.79 1x6f n SER 87 N -5.30 -4.11 0.00 6.23 2.88 -1.26 -5.35 113.62 106.70 1x6f n SER 87 Ca -0.11 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 1x6f n SER 87 Cb 0.33 -4.04 0.00 0.00 -0.75 0.00 0.00 64.21 59.75 1x6f n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42