#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 -1.15 -4.28 1.61 3.41 -1.26 -4.82 113.62 107.14 1x6f n SER 2 Ca 0.00 -1.15 -0.34 0.00 -0.26 0.00 0.00 58.87 57.12 1x6f n SER 2 Cb 0.00 -1.47 0.11 0.00 -0.26 0.00 0.00 64.21 62.59 1x6f n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x6f n SER 3 N -2.29 -3.00 0.00 4.04 2.88 -1.26 -5.03 113.62 108.97 1x6f n SER 3 Ca 0.02 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1x6f n SER 3 Cb 0.46 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 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 2.13 4.83 3.53 0.46 0.00 -1.26 -5.17 105.19 109.70 1x6f n GLY 4 Ca 0.03 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 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 0.79 -0.65 0.49 1.61 0.01 -1.26 -5.18 113.70 109.51 1x6f s SER 5 Ca 0.00 0.94 0.02 0.00 1.31 0.00 0.00 55.95 58.22 1x6f s SER 5 Cb 0.00 0.87 -0.03 0.00 0.21 0.00 0.00 66.02 67.08 1x6f s SER 5 CO 0.00 -0.45 0.01 -0.94 0.41 0.00 0.00 173.24 172.27 1x6f s SER 6 N -0.56 4.02 0.00 2.44 1.04 -1.26 -5.16 113.70 114.21 1x6f s SER 6 Ca -0.07 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 54.76 1x6f s SER 6 Cb -0.02 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x6f s SER 6 CO 0.06 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1x6f n GLY 7 N -1.19 5.24 3.63 7.32 0.00 -1.26 -5.17 105.19 113.76 1x6f n GLY 7 Ca -0.16 -1.53 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.00 0.17 0.99 1.98 -1.26 -5.18 118.68 114.38 1x6f s LEU 8 Ca 0.00 1.48 -0.04 0.00 -2.89 0.00 0.00 54.13 52.67 1x6f s LEU 8 Cb 0.00 2.29 -0.03 0.00 0.66 0.00 0.00 46.19 49.11 1x6f s LEU 8 CO 0.00 -0.22 0.18 -0.54 -1.89 0.00 0.00 176.35 173.88 1x6f s LYS 9 N 2.22 1.11 0.49 1.98 1.02 -1.26 -5.18 119.74 120.12 1x6f s LYS 9 Ca -0.08 -1.38 0.03 0.00 0.02 0.00 0.00 55.97 54.56 1x6f s LYS 9 Cb -0.08 0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 37.52 1x6f s LYS 9 CO -0.19 -0.37 0.09 -0.98 -0.92 0.00 0.00 175.35 172.97 1x6f s ARG 10 N -4.05 2.17 0.16 1.68 1.70 -1.26 -5.16 118.95 114.19 1x6f s ARG 10 Ca 0.25 -2.24 0.01 0.00 -0.47 0.00 0.00 55.73 53.29 1x6f s ARG 10 Cb 0.05 -1.69 -0.04 0.00 -0.57 0.00 0.00 34.95 32.70 1x6f s ARG 10 CO 0.04 -0.33 0.01 0.16 -1.08 0.00 0.00 175.30 174.10 1x6f s ASP 11 N -3.92 1.07 0.17 -2.89 1.47 -1.26 -5.17 116.67 106.14 1x6f s ASP 11 Ca 0.18 -1.17 0.10 0.00 1.18 0.00 0.00 52.55 52.84 1x6f s ASP 11 Cb 0.03 0.15 -0.04 0.00 -0.34 0.00 0.00 42.92 42.71 1x6f s ASP 11 CO 0.10 -0.59 -0.15 0.72 0.68 0.00 0.00 175.17 175.93 1x6f s PHE 12 N -3.72 2.52 0.31 2.11 -0.71 -1.26 -5.15 117.98 112.09 1x6f s PHE 12 Ca 0.23 -0.27 0.07 0.00 -1.04 0.00 0.00 56.93 55.93 1x6f s PHE 12 Cb 0.06 -1.25 -0.06 0.00 -1.21 0.00 0.00 43.02 40.56 1x6f s PHE 12 CO 0.03 0.49 -0.05 0.96 -1.34 0.00 0.00 175.22 175.31 1x6f s ILE 13 N -1.60 1.78 -0.21 -4.49 -4.36 -1.26 -5.14 121.20 105.92 1x6f s ILE 13 Ca 0.22 -2.12 -0.04 0.00 -0.26 0.00 0.00 60.65 58.46 1x6f s ILE 13 Cb -0.09 -2.59 0.09 0.00 1.25 0.00 0.00 42.46 41.13 1x6f s ILE 13 CO 0.13 -0.22 0.22 -0.63 0.24 0.00 0.00 174.94 174.68 1x6f s ILE 14 N -2.91 -0.31 -0.14 8.37 1.01 -1.26 -4.95 121.20 121.00 1x6f s ILE 14 Ca 0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 1x6f s ILE 14 Cb 0.04 -0.70 0.07 0.00 0.01 0.00 0.00 42.46 41.88 1x6f s ILE 14 CO 0.14 -0.24 0.17 -0.76 0.00 0.00 0.00 174.94 174.25 1x6f s LEU 15 N 2.31 -0.02 1.08 2.97 1.02 -1.25 -5.08 118.68 119.72 1x6f s LEU 15 Ca 0.07 -0.02 -0.15 0.00 0.02 0.00 0.00 54.13 54.05 1x6f s LEU 15 Cb -0.16 0.22 0.14 0.00 0.02 0.00 0.00 46.19 46.41 1x6f s LEU 15 CO -0.14 -0.29 0.41 0.61 0.02 0.00 0.00 176.35 176.96 1x6f n GLY 16 N 5.32 -2.11 3.32 -3.19 0.00 -1.26 -4.13 105.19 103.13 1x6f n GLY 16 Ca -0.05 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1x6f n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x6f s ASN 17 N -2.07 -0.25 0.00 1.61 2.47 -1.26 -4.77 114.94 110.67 1x6f s ASN 17 Ca 0.60 -0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.74 1x6f s ASN 17 Cb -0.18 0.44 0.00 0.00 -1.45 0.00 0.00 41.25 40.06 1x6f s ASN 17 CO 0.66 -0.74 0.00 0.61 -3.72 0.00 0.00 177.10 173.91 1x6f n GLY 18 N 0.21 0.87 3.77 1.21 0.00 -1.26 -5.09 105.19 104.90 1x6f n GLY 18 Ca -0.17 0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 3.16 -0.65 1.61 0.04 -1.26 -4.95 135.00 132.94 1x6f s PRO 19 Ca 0.00 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 1x6f s PRO 19 Cb 0.00 -1.99 0.44 0.00 0.04 0.00 0.00 34.50 32.99 1x6f s PRO 19 CO 0.00 -0.99 2.04 0.54 0.04 0.00 0.00 177.00 178.63 1x6f n ARG 20 N -1.70 2.64 -3.78 4.56 3.00 -1.26 -4.91 116.66 115.21 1x6f n ARG 20 Ca 0.11 -3.20 -0.37 0.00 -0.01 0.00 0.00 57.85 54.38 1x6f n ARG 20 Cb 0.51 -2.25 -0.13 0.00 0.00 0.00 0.00 32.46 30.59 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 -3.73 3.61 -0.47 0.55 2.01 -1.26 -4.98 118.68 114.41 1x6f s LEU 21 Ca 0.63 -0.52 0.03 0.00 0.01 0.00 0.00 54.13 54.28 1x6f s LEU 21 Cb 0.49 -1.88 0.44 0.00 0.01 0.00 0.00 46.19 45.26 1x6f s LEU 21 CO -0.02 -0.12 1.52 0.00 1.01 0.00 0.00 176.35 178.74 1x6f n GLN 22 N 4.88 3.23 -2.68 1.70 3.00 -1.26 -5.03 117.38 121.21 1x6f n GLN 22 Ca -0.15 -3.87 -0.26 0.00 -0.01 0.00 0.00 57.00 52.70 1x6f n GLN 22 Cb 0.49 -2.28 0.01 0.00 0.00 0.00 0.00 30.24 28.46 1x6f n GLN 22 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1x6f s ASN 23 N -2.82 6.03 -0.33 1.08 0.01 -1.26 -4.99 114.94 112.67 1x6f s ASN 23 Ca 0.55 0.75 -0.28 0.00 -0.71 0.00 0.00 52.86 53.17 1x6f s ASN 23 Cb 0.44 -1.99 -0.03 0.00 0.41 0.00 0.00 41.25 40.08 1x6f s ASN 23 CO -0.04 -0.70 1.97 -0.44 -1.51 0.00 0.00 177.10 176.38 1x6f s SER 24 N -4.17 5.62 0.17 -1.22 0.01 -1.26 -4.96 113.70 107.90 1x6f s SER 24 Ca 0.49 1.39 0.08 0.00 1.31 0.00 0.00 55.95 59.22 1x6f s SER 24 Cb -0.10 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 1x6f s SER 24 CO 0.43 -1.91 -0.17 0.42 0.41 0.00 0.00 173.24 172.42 1x6f s THR 25 N 7.81 1.79 -0.25 1.44 -4.23 -1.26 -4.67 115.64 116.27 1x6f s THR 25 Ca 0.86 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 1x6f s THR 25 Cb -0.24 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.72 1x6f s THR 25 CO 0.33 -0.38 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.70 1x6f s TYR 26 N -2.26 3.05 -0.77 3.99 1.51 0.13 -4.91 117.35 118.09 1x6f s TYR 26 Ca 0.17 -1.10 -0.20 0.00 -1.01 0.00 0.00 57.07 54.92 1x6f s TYR 26 Cb -0.05 -2.14 0.10 0.00 -0.11 0.00 0.00 41.96 39.76 1x6f s TYR 26 CO 0.07 -0.60 1.01 -1.14 -1.11 0.00 0.00 175.55 173.77 1x6f s GLN 27 N 1.45 3.31 -0.20 -0.62 2.00 -1.26 -0.93 119.66 123.41 1x6f s GLN 27 Ca 0.03 -1.29 -0.36 0.00 -2.00 0.00 0.00 55.36 51.75 1x6f s GLN 27 Cb -0.16 -4.53 -0.12 0.00 0.80 0.00 0.00 33.01 29.00 1x6f s GLN 27 CO -0.02 -1.77 1.92 0.00 -0.50 0.00 0.00 175.29 174.93 1x6f n LYS 29 N 6.73 1.43 0.00 0.00 0.00 -1.26 -0.83 118.16 124.22 1x6f n LYS 29 Ca 0.27 -0.64 0.00 0.00 -0.00 0.00 0.00 58.31 57.94 1x6f n LYS 29 Cb 0.25 -1.37 0.00 0.00 -0.00 0.00 0.00 35.03 33.91 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 0.15 0.00 -0.02 5.58 8.25 -1.26 -4.85 115.22 123.06 1x6f n HIS 30 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1x6f n HIS 30 Cb 0.66 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.78 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 -0.72 -2.57 -3.25 0.00 -0.08 -0.01 -5.05 116.55 104.88 1x6f n ASP 32 Ca 0.00 -0.15 -0.09 0.00 -1.51 0.00 0.00 54.79 53.04 1x6f n ASP 32 Cb 0.01 -1.70 0.02 0.00 2.34 0.00 0.00 41.12 41.79 1x6f n ASP 32 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1x6f n SER 33 N -0.64 1.14 -3.83 1.67 2.88 -1.23 -4.85 113.62 108.76 1x6f n SER 33 Ca -0.04 -1.70 -0.22 0.00 -1.33 0.00 0.00 58.87 55.58 1x6f n SER 33 Cb 0.53 -0.14 -0.17 0.00 -0.75 0.00 0.00 64.21 63.68 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 -3.08 0.79 0.13 -1.46 1.02 -1.25 -1.79 119.74 114.10 1x6f s LYS 34 Ca 0.23 -0.01 0.11 0.00 0.02 0.00 0.00 55.97 56.31 1x6f s LYS 34 Cb -0.02 -0.98 -0.04 0.00 -0.52 0.00 0.00 37.83 36.27 1x6f s LYS 34 CO 0.14 -0.21 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.58 1x6f s LEU 35 N 1.54 2.33 0.07 3.17 1.02 -0.11 -4.88 118.68 121.81 1x6f s LEU 35 Ca -0.01 -0.75 -0.33 0.00 0.02 0.00 0.00 54.13 53.06 1x6f s LEU 35 Cb -0.13 -1.20 -0.17 0.00 0.02 0.00 0.00 46.19 44.71 1x6f s LEU 35 CO -0.04 0.17 1.50 -0.61 0.02 0.00 0.00 176.35 177.40 1x6f h GLN 36 N 3.85 -0.99 -3.55 1.70 4.15 -1.89 0.38 115.11 118.76 1x6f h GLN 36 Ca -0.50 0.07 -0.14 0.00 0.77 0.00 0.00 58.65 58.85 1x6f h GLN 36 Cb 1.17 0.23 -0.04 0.00 0.21 0.00 0.00 27.48 29.05 1x6f h GLN 36 CO 0.40 -0.66 0.04 0.45 -1.93 0.00 0.00 178.83 177.12 1x6f s SER 37 N -4.01 0.41 0.22 -0.69 0.15 -1.26 -4.27 113.70 104.25 1x6f s SER 37 Ca -0.17 -1.27 -0.18 0.00 0.70 0.00 0.00 55.95 55.04 1x6f s SER 37 Cb 0.03 0.75 0.22 0.00 -1.71 0.00 0.00 66.02 65.31 1x6f s SER 37 CO 0.54 -1.47 1.57 0.74 1.20 0.00 0.00 173.24 175.82 1x6f h THR 38 N 2.06 0.09 -0.91 6.45 2.02 -1.98 0.33 112.91 120.97 1x6f h THR 38 Ca -0.30 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.22 1x6f h THR 38 Cb 1.25 0.09 -0.11 0.00 -1.74 0.00 0.00 68.15 67.63 1x6f h THR 38 CO 0.39 0.00 0.55 0.00 0.37 0.00 0.00 175.52 176.83 1x6f n ALA 39 N -3.34 0.91 0.07 6.16 0.00 -1.26 0.24 120.51 123.29 1x6f n ALA 39 Ca 0.08 0.68 -0.21 0.00 0.00 0.00 0.00 53.44 53.99 1x6f n ALA 39 Cb 0.39 -0.77 -0.15 0.00 0.00 0.00 0.00 19.45 18.92 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 0.36 -0.40 0.00 4.39 -0.76 -3.34 114.58 114.83 1x6f h GLU 40 Ca 0.64 -0.62 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1x6f h GLU 40 Cb 1.92 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 30.78 1x6f h GLU 40 CO -0.43 1.27 0.17 1.25 -1.16 0.00 0.00 179.01 180.11 1x6f h LEU 41 N 0.10 0.50 -1.54 1.33 5.85 0.35 0.15 115.31 122.05 1x6f h LEU 41 Ca -0.32 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1x6f h LEU 41 Cb 2.08 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.96 1x6f h LEU 41 CO 0.17 0.45 0.24 0.74 -0.34 0.00 0.00 178.44 179.70 1x6f h THR 42 N 0.56 1.12 0.13 1.05 2.02 -0.55 0.26 112.91 117.51 1x6f h THR 42 Ca 0.14 -0.27 -0.36 0.00 0.77 0.00 0.00 66.41 66.69 1x6f h THR 42 Cb 0.10 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1x6f h THR 42 CO -0.02 0.13 -1.93 0.28 0.37 0.00 0.00 175.52 174.35 1x6f h SER 43 N 0.55 0.43 -0.22 4.18 0.02 -1.49 -3.27 113.55 113.74 1x6f h SER 43 Ca 0.15 -0.89 -0.02 0.00 -0.84 0.00 0.00 61.79 60.19 1x6f h SER 43 Cb -0.01 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1x6f h SER 43 CO -0.03 1.79 0.05 -0.74 -1.14 0.00 0.00 176.83 176.77 1x6f h HIS 44 N 0.07 0.37 -0.93 3.45 6.17 -0.53 -2.98 115.15 120.77 1x6f h HIS 44 Ca -0.40 -0.04 0.03 0.00 0.71 0.00 0.00 60.37 60.66 1x6f h HIS 44 Cb 2.05 -0.11 -0.05 0.00 2.52 0.00 0.00 27.41 31.82 1x6f h HIS 44 CO 0.08 0.46 0.61 -0.07 0.71 0.00 0.00 177.93 179.72 1x6f h LEU 45 N 0.18 1.02 -1.28 0.26 3.38 -0.66 -2.01 115.31 116.20 1x6f h LEU 45 Ca 0.07 -0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.34 1x6f h LEU 45 Cb 0.28 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 40.67 1x6f h LEU 45 CO 0.00 0.71 0.69 0.78 0.09 0.00 0.00 178.44 180.71 1x6f h ASN 46 N 1.20 0.43 -0.38 -0.43 2.35 -1.57 0.80 115.58 117.97 1x6f h ASN 46 Ca 0.36 0.12 0.02 0.00 -0.55 0.00 0.00 56.30 56.25 1x6f h ASN 46 Cb -0.04 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1x6f h ASN 46 CO -0.11 -0.01 0.26 0.40 -1.65 0.00 0.00 177.43 176.32 1x6f h ILE 47 N 0.33 1.05 0.03 2.81 2.04 -1.41 -2.12 117.51 120.25 1x6f h ILE 47 Ca 0.67 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 66.38 1x6f h ILE 47 Cb 1.75 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1x6f h ILE 47 CO -0.39 0.08 -0.02 0.45 0.00 0.00 0.00 178.15 178.27 1x6f h HIS 48 N 0.45 -0.04 -0.95 1.37 3.86 0.48 -3.10 115.15 117.22 1x6f h HIS 48 Ca 0.15 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.49 1x6f h HIS 48 Cb 0.05 0.01 -0.14 0.00 1.06 0.00 0.00 27.41 28.39 1x6f h HIS 48 CO -0.00 -0.03 -0.41 0.09 0.86 0.00 0.00 177.93 178.44 1x6f n ASN 49 N -3.66 -0.70 -0.35 2.45 3.02 -0.85 0.14 115.26 115.30 1x6f n ASN 49 Ca -0.01 1.67 0.07 0.00 -0.03 0.00 0.00 54.58 56.28 1x6f n ASN 49 Cb 0.02 -0.34 0.25 0.00 -0.61 0.00 0.00 39.78 39.09 1x6f n ASN 49 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1x6f h GLU 50 N 0.00 0.96 -0.32 3.52 4.11 -1.55 0.34 114.58 121.65 1x6f h GLU 50 Ca 0.29 -0.06 -0.08 0.00 0.07 0.00 0.00 59.36 59.58 1x6f h GLU 50 Cb 0.53 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1x6f h GLU 50 CO -0.93 0.64 -0.11 0.93 0.07 0.00 0.00 179.01 179.60 1x6f h GLU 51 N 0.99 0.65 -0.29 1.06 4.39 0.13 0.16 114.58 121.67 1x6f h GLU 51 Ca 0.48 -0.26 -0.12 0.00 0.34 0.00 0.00 59.36 59.80 1x6f h GLU 51 Cb 0.45 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1x6f h GLU 51 CO -0.24 0.84 -0.30 0.35 -1.16 0.00 0.00 179.01 178.50 1x6f h PHE 52 N 0.42 0.69 -0.20 4.33 3.57 0.46 -2.16 116.94 124.05 1x6f h PHE 52 Ca 0.08 -0.17 -0.17 0.00 3.53 0.00 0.00 57.97 61.24 1x6f h PHE 52 Cb 0.62 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1x6f h PHE 52 CO 0.05 0.83 -0.53 0.37 -2.23 0.00 0.00 178.31 176.81 1x6f h GLN 53 N 0.51 0.70 0.43 1.11 4.15 -0.27 0.39 115.11 122.14 1x6f h GLN 53 Ca 0.06 -0.50 -0.02 0.00 0.77 0.00 0.00 58.65 58.97 1x6f h GLN 53 Cb 0.78 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.55 1x6f h GLN 53 CO 0.06 1.12 -0.21 -0.22 -1.93 0.00 0.00 178.83 177.65 1x6f h LYS 54 N 0.41 -0.56 0.08 1.69 3.64 -0.89 -3.29 116.57 117.66 1x6f h LYS 54 Ca -0.01 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1x6f h LYS 54 Cb 1.15 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1x6f h LYS 54 CO 0.11 -0.33 -0.04 -0.09 -2.27 0.00 0.00 179.45 176.83 1x6f h ARG 55 N -0.65 -0.11 -5.10 1.90 2.43 -1.47 -3.47 114.38 107.91 1x6f h ARG 55 Ca -0.06 0.01 -0.41 0.00 -0.81 0.00 0.00 59.98 58.71 1x6f h ARG 55 Cb 0.48 0.02 0.05 0.00 -0.42 0.00 0.00 29.97 30.11 1x6f h ARG 55 CO 0.10 0.42 -0.63 0.00 -1.51 0.00 0.00 179.97 178.34 1x6f n ALA 56 N -2.48 -1.10 -1.77 2.80 0.00 0.14 -4.95 120.51 113.15 1x6f n ALA 56 Ca -0.08 0.29 -0.38 0.00 0.00 0.00 0.00 53.44 53.26 1x6f n ALA 56 Cb 0.29 -4.23 -0.04 0.00 0.00 0.00 0.00 19.45 15.46 1x6f n ALA 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1x6f s LYS 57 N -5.98 4.42 -0.04 0.00 2.47 -1.26 -4.93 119.74 114.42 1x6f s LYS 57 Ca 0.42 1.60 -0.39 0.00 -1.56 0.00 0.00 55.97 56.04 1x6f s LYS 57 Cb -0.19 -2.85 -0.17 0.00 -1.46 0.00 0.00 37.83 33.15 1x6f s LYS 57 CO 0.52 0.07 1.39 0.54 0.16 0.00 0.00 175.35 178.03 1x6f n ARG 58 N 0.55 0.87 -1.74 4.03 1.74 -1.26 -4.94 116.66 115.90 1x6f n ARG 58 Ca 0.02 0.31 -0.30 0.00 -0.77 0.00 0.00 57.85 57.11 1x6f n ARG 58 Cb 0.48 -1.93 0.21 0.00 -1.02 0.00 0.00 32.46 30.20 1x6f n ARG 58 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1x6f s GLN 59 N 1.17 0.04 -0.72 5.56 0.00 -1.26 -4.49 119.66 119.95 1x6f s GLN 59 Ca 0.90 -0.40 -0.03 0.00 -0.00 0.00 0.00 55.36 55.83 1x6f s GLN 59 Cb -1.07 -1.77 0.00 0.00 0.00 0.00 0.00 33.01 30.17 1x6f s GLN 59 CO 0.55 -2.82 0.62 -1.91 0.00 0.00 0.00 175.29 171.72 1x6f n GLU 60 N -4.05 -4.12 -2.71 9.60 2.13 -1.26 -5.03 120.64 115.20 1x6f n GLU 60 Ca 0.16 0.47 -0.27 0.00 0.66 0.00 0.00 57.16 58.18 1x6f n GLU 60 Cb 0.59 -4.40 -0.00 0.00 0.27 0.00 0.00 31.44 27.91 1x6f n GLU 60 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1x6f s ARG 61 N -5.27 3.50 -1.07 5.31 6.06 -1.26 -4.94 118.95 121.28 1x6f s ARG 61 Ca 0.17 0.12 -0.25 0.00 -2.50 0.00 0.00 55.73 53.27 1x6f s ARG 61 Cb -0.08 -2.41 -0.15 0.00 0.06 0.00 0.00 34.95 32.38 1x6f s ARG 61 CO 0.41 -0.19 2.07 1.03 -2.50 0.00 0.00 175.30 176.12 1x6f s ARG 62 N -4.70 1.79 -0.27 5.12 1.81 -1.26 -4.77 118.95 116.66 1x6f s ARG 62 Ca 0.47 -0.56 -0.03 0.00 -1.72 0.00 0.00 55.73 53.89 1x6f s ARG 62 Cb -0.10 -5.05 0.15 0.00 -0.45 0.00 0.00 34.95 29.50 1x6f s ARG 62 CO 0.44 -4.69 0.50 0.21 -0.68 0.00 0.00 175.30 171.08 1x6f s LYS 63 N 7.71 0.46 -0.06 3.54 2.20 -1.26 -5.15 119.74 127.18 1x6f s LYS 63 Ca 0.77 0.87 -0.03 0.00 -0.36 0.00 0.00 55.97 57.23 1x6f s LYS 63 Cb -0.05 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.47 1x6f s LYS 63 CO 0.14 -0.55 0.13 -0.65 -0.36 0.00 0.00 175.35 174.06 1x6f s GLN 64 N 2.71 0.09 -0.26 4.03 -1.52 -1.26 -5.11 119.66 118.35 1x6f s GLN 64 Ca 0.13 0.31 -0.29 0.00 -1.95 0.00 0.00 55.36 53.56 1x6f s GLN 64 Cb -0.15 -0.13 -0.03 0.00 -0.22 0.00 0.00 33.01 32.49 1x6f s GLN 64 CO -0.18 -0.13 1.85 -0.51 -0.25 0.00 0.00 175.29 176.08 1x6f s LEU 65 N 0.90 3.63 -0.30 2.90 2.01 -1.26 -4.92 118.68 121.65 1x6f s LEU 65 Ca -0.07 1.58 -0.07 0.00 0.01 0.00 0.00 54.13 55.58 1x6f s LEU 65 Cb -0.09 -3.52 0.18 0.00 0.01 0.00 0.00 46.19 42.77 1x6f s LEU 65 CO -0.04 -1.62 0.78 -0.22 1.01 0.00 0.00 176.35 176.26 1x6f s LEU 66 N 6.66 -1.00 -0.10 1.79 2.96 -1.26 -5.17 118.68 122.56 1x6f s LEU 66 Ca 0.83 0.71 -0.32 0.00 -0.22 0.00 0.00 54.13 55.13 1x6f s LEU 66 Cb -0.26 1.87 0.12 0.00 0.50 0.00 0.00 46.19 48.42 1x6f s LEU 66 CO 0.34 -0.19 1.11 -0.55 -1.32 0.00 0.00 176.35 175.74 1x6f s SER 67 N 2.87 -0.20 -0.82 3.68 0.15 -1.26 -5.10 113.70 113.02 1x6f s SER 67 Ca 0.10 -0.04 -0.00 0.00 0.70 0.00 0.00 55.95 56.72 1x6f s SER 67 Cb -0.13 0.23 0.20 0.00 -1.71 0.00 0.00 66.02 64.62 1x6f s SER 67 CO -0.17 -0.39 0.67 -0.75 1.20 0.00 0.00 173.24 173.80 1x6f s LYS 68 N -2.67 2.99 -0.51 5.44 2.47 -1.26 -4.99 119.74 121.21 1x6f s LYS 68 Ca 0.09 -3.21 0.04 0.00 -1.56 0.00 0.00 55.97 51.33 1x6f s LYS 68 Cb -0.00 -3.80 0.13 0.00 -1.46 0.00 0.00 37.83 32.70 1x6f s LYS 68 CO -0.05 -1.26 0.25 -1.14 0.16 0.00 0.00 175.35 173.31 1x6f s GLN 69 N -1.23 1.94 -0.77 4.03 2.00 -1.26 -5.02 119.66 119.35 1x6f s GLN 69 Ca 0.26 -2.59 -0.01 0.00 -2.00 0.00 0.00 55.36 51.02 1x6f s GLN 69 Cb -0.08 -3.28 0.19 0.00 0.80 0.00 0.00 33.01 30.64 1x6f s GLN 69 CO -0.12 -1.11 0.62 0.21 -0.50 0.00 0.00 175.29 174.39 1x6f s LYS 70 N -0.24 2.92 -0.07 1.67 2.47 -1.26 -5.03 119.74 120.19 1x6f s LYS 70 Ca 0.17 -3.01 -0.09 0.00 -1.56 0.00 0.00 55.97 51.47 1x6f s LYS 70 Cb -0.26 -3.81 0.02 0.00 -1.46 0.00 0.00 37.83 32.32 1x6f s LYS 70 CO -0.00 -1.23 0.23 0.71 0.16 0.00 0.00 175.35 175.22 1x6f s TYR 71 N -0.89 -0.21 0.16 4.03 2.02 -1.26 -5.00 117.35 116.20 1x6f s TYR 71 Ca 0.23 0.48 -0.24 0.00 -0.37 0.00 0.00 57.07 57.17 1x6f s TYR 71 Cb -0.12 0.07 0.06 0.00 -0.40 0.00 0.00 41.96 41.57 1x6f s TYR 71 CO -0.09 -0.18 0.85 0.00 -1.57 0.00 0.00 175.55 174.56 1x6f s ALA 72 N -0.28 -1.57 0.09 3.71 0.00 -1.26 -5.03 121.76 117.41 1x6f s ALA 72 Ca -0.04 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1x6f s ALA 72 Cb -0.03 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1x6f s ALA 72 CO 0.01 -0.96 -0.07 0.16 0.00 0.00 0.00 175.76 174.90 1x6f s ASP 73 N -2.84 1.14 0.00 0.00 1.47 -1.26 -3.89 116.67 111.30 1x6f s ASP 73 Ca 0.10 -0.88 0.00 0.00 1.18 0.00 0.00 52.55 52.95 1x6f s ASP 73 Cb -0.02 0.07 0.00 0.00 -0.34 0.00 0.00 42.92 42.62 1x6f s ASP 73 CO -0.00 -0.37 0.00 0.61 0.68 0.00 0.00 175.17 176.08 1x6f n GLY 74 N 0.37 -0.92 2.31 2.12 0.00 -1.26 -4.91 105.19 102.90 1x6f n GLY 74 Ca -0.15 0.42 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 1x6f n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6f n ALA 75 N 0.00 -0.55 -2.62 4.61 0.00 -1.26 -5.05 120.51 115.64 1x6f n ALA 75 Ca 0.00 0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.36 1x6f n ALA 75 Cb 0.00 -2.41 -0.07 0.00 0.00 0.00 0.00 19.45 16.97 1x6f n ALA 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1x6f s PHE 76 N -3.13 2.67 -0.18 0.00 0.40 -1.26 -5.14 117.98 111.33 1x6f s PHE 76 Ca 0.21 -0.26 -0.29 0.00 -0.60 0.00 0.00 56.93 56.00 1x6f s PHE 76 Cb -0.09 -1.24 0.13 0.00 0.51 0.00 0.00 43.02 42.32 1x6f s PHE 76 CO 0.29 0.59 1.00 0.00 0.70 0.00 0.00 175.22 177.81 1x6f s ALA 77 N -2.36 -1.94 0.25 5.36 0.00 -1.26 -5.05 121.76 116.77 1x6f s ALA 77 Ca 0.32 1.64 -0.22 0.00 0.00 0.00 0.00 51.96 53.70 1x6f s ALA 77 Cb -0.06 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.24 1x6f s ALA 77 CO 0.20 -0.29 0.76 0.16 0.00 0.00 0.00 175.76 176.59 1x6f s ASP 78 N -0.84 -0.25 -0.23 0.00 -4.77 -1.26 -5.18 116.67 104.15 1x6f s ASP 78 Ca -0.01 -0.56 -0.27 0.00 -3.30 0.00 0.00 52.55 48.41 1x6f s ASP 78 Cb -0.01 0.68 0.12 0.00 -1.09 0.00 0.00 42.92 42.62 1x6f s ASP 78 CO 0.00 -1.26 1.01 0.12 0.70 0.00 0.00 175.17 175.75 1x6f s PHE 79 N -3.79 -0.43 0.24 2.11 5.36 -1.26 -5.17 117.98 115.04 1x6f s PHE 79 Ca 0.11 0.93 -0.15 0.00 -0.96 0.00 0.00 56.93 56.87 1x6f s PHE 79 Cb -0.05 0.40 -0.08 0.00 -0.34 0.00 0.00 43.02 42.95 1x6f s PHE 79 CO 0.06 -0.28 0.65 0.21 -1.46 0.00 0.00 175.22 174.39 1x6f s LYS 80 N -0.36 4.00 0.00 10.12 2.47 -1.26 -4.99 119.74 129.72 1x6f s LYS 80 Ca 0.01 0.58 0.00 0.00 -1.56 0.00 0.00 55.97 55.00 1x6f s LYS 80 Cb -0.03 -2.69 0.00 0.00 -1.46 0.00 0.00 37.83 33.65 1x6f s LYS 80 CO -0.03 0.32 0.00 0.94 0.16 0.00 0.00 175.35 176.74 1x6f n GLN 81 N 0.19 0.00 -1.04 4.03 -0.06 -1.26 -5.06 117.38 114.18 1x6f n GLN 81 Ca -0.00 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.62 1x6f n GLN 81 Cb 0.52 -0.85 -0.03 0.00 -4.06 0.00 0.00 30.24 25.82 1x6f n GLN 81 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1x6f n GLU 82 N -2.64 0.00 -4.24 3.69 0.28 -1.26 -4.96 120.64 111.52 1x6f n GLU 82 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 1x6f n GLU 82 Cb 0.50 -0.84 -0.08 0.00 1.43 0.00 0.00 31.44 32.45 1x6f n GLU 82 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1x6f s SER 83 N -0.49 1.36 -0.06 -1.84 1.04 -1.26 -5.17 113.70 107.29 1x6f s SER 83 Ca 0.53 -1.66 -0.02 0.00 0.48 0.00 0.00 55.95 55.27 1x6f s SER 83 Cb -0.76 0.56 0.04 0.00 0.10 0.00 0.00 66.02 65.96 1x6f s SER 83 CO 0.41 -1.08 0.10 -0.83 0.98 0.00 0.00 173.24 172.82 1x6f s GLY 84 N -3.32 0.08 1.18 7.32 0.00 -1.26 -5.16 107.32 106.16 1x6f s GLY 84 Ca 0.39 0.45 -0.18 0.00 0.00 0.00 0.00 44.72 45.37 1x6f s GLY 84 CO 0.24 1.23 1.11 2.56 0.00 0.00 0.00 173.10 178.24 1x6f s PRO 85 N 1.73 -1.02 0.31 2.90 0.04 -1.26 -5.09 135.00 132.61 1x6f s PRO 85 Ca -0.02 0.01 0.08 0.00 0.04 0.00 0.00 61.00 61.11 1x6f s PRO 85 Cb -0.12 -1.61 -0.06 0.00 0.04 0.00 0.00 34.50 32.74 1x6f s PRO 85 CO -0.05 -3.59 -0.07 0.45 0.04 0.00 0.00 177.00 173.78 1x6f s SER 86 N -3.83 3.22 0.37 6.66 0.15 -1.26 -5.16 113.70 113.85 1x6f s SER 86 Ca 0.70 -1.20 0.08 0.00 0.70 0.00 0.00 55.95 56.23 1x6f s SER 86 Cb -0.11 -0.25 -0.05 0.00 -1.71 0.00 0.00 66.02 63.90 1x6f s SER 86 CO 0.56 -0.28 0.15 -0.94 1.20 0.00 0.00 173.24 173.93 1x6f s SER 87 N -3.52 4.54 0.00 5.45 1.04 -1.26 -5.38 113.70 114.57 1x6f s SER 87 Ca 0.31 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1x6f s SER 87 Cb 0.03 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1x6f s SER 87 CO 0.14 -0.40 0.50 0.61 0.98 0.00 0.00 173.24 175.07