#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 1.17 -4.12 1.61 2.88 -1.26 -4.89 113.62 109.01 1x6f n SER 2 Ca 0.00 0.63 -0.11 0.00 -1.33 0.00 0.00 58.87 58.06 1x6f n SER 2 Cb 0.00 -1.00 -0.09 0.00 -0.75 0.00 0.00 64.21 62.37 1x6f n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x6f s SER 3 N 6.23 0.13 0.17 -3.46 0.01 -1.26 -5.18 113.70 110.34 1x6f s SER 3 Ca 1.16 -1.19 0.07 0.00 1.31 0.00 0.00 55.95 57.30 1x6f s SER 3 Cb -1.32 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 1x6f s SER 3 CO 0.62 -0.88 -0.14 -0.83 0.41 0.00 0.00 173.24 172.42 1x6f s GLY 4 N -3.08 1.26 -0.21 3.44 0.00 -1.26 -5.15 107.32 102.31 1x6f s GLY 4 Ca 0.30 -1.52 -0.28 0.00 0.00 0.00 0.00 44.72 43.21 1x6f s GLY 4 CO 0.08 -1.60 1.06 -0.45 0.00 0.00 0.00 173.10 172.18 1x6f s SER 5 N -3.02 -0.35 -0.22 1.64 0.15 -1.26 -5.15 113.70 105.49 1x6f s SER 5 Ca 0.17 0.49 -0.08 0.00 0.70 0.00 0.00 55.95 57.23 1x6f s SER 5 Cb -0.01 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1x6f s SER 5 CO 0.04 -0.25 0.08 -0.55 1.20 0.00 0.00 173.24 173.76 1x6f s SER 6 N -0.67 5.49 0.00 5.45 0.15 -1.26 -4.95 113.70 117.90 1x6f s SER 6 Ca 0.01 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1x6f s SER 6 Cb -0.02 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1x6f s SER 6 CO -0.02 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1x6f n GLY 7 N 4.19 0.31 3.92 9.45 0.00 -1.26 -5.17 105.19 116.63 1x6f n GLY 7 Ca -0.16 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 4.33 -1.20 0.99 2.96 -1.26 -5.00 118.68 119.50 1x6f s LEU 8 Ca 0.00 0.31 -0.21 0.00 -0.22 0.00 0.00 54.13 54.01 1x6f s LEU 8 Cb 0.00 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 1x6f s LEU 8 CO 0.00 0.10 1.89 2.29 -1.32 0.00 0.00 176.35 179.30 1x6f n LYS 9 N -0.06 2.15 -3.71 1.98 2.85 -1.26 -4.87 118.16 115.24 1x6f n LYS 9 Ca -0.05 -2.67 -0.37 0.00 -1.05 0.00 0.00 58.31 54.17 1x6f n LYS 9 Cb 0.52 -3.56 -0.11 0.00 -0.65 0.00 0.00 35.03 31.24 1x6f n LYS 9 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1x6f s ARG 10 N 5.47 2.16 0.35 -1.58 3.00 -1.26 -5.04 118.95 122.04 1x6f s ARG 10 Ca 0.62 -1.84 -0.17 0.00 -1.00 0.00 0.00 55.73 53.33 1x6f s ARG 10 Cb 0.03 -3.69 0.05 0.00 0.00 0.00 0.00 34.95 31.34 1x6f s ARG 10 CO 0.11 -1.11 0.80 -0.51 0.00 0.00 0.00 175.30 174.58 1x6f s ASP 11 N 2.00 -0.05 -0.05 -2.12 1.11 -1.26 -5.18 116.67 111.12 1x6f s ASP 11 Ca 0.08 -1.00 -0.10 0.00 0.18 0.00 0.00 52.55 51.71 1x6f s ASP 11 Cb -0.24 0.80 0.02 0.00 1.07 0.00 0.00 42.92 44.57 1x6f s ASP 11 CO -0.03 -1.57 0.24 0.72 1.18 0.00 0.00 175.17 175.71 1x6f s PHE 12 N -2.61 -0.17 -0.22 4.23 -0.71 -1.26 -5.15 117.98 112.09 1x6f s PHE 12 Ca 0.15 0.37 -0.02 0.00 -1.04 0.00 0.00 56.93 56.40 1x6f s PHE 12 Cb -0.05 0.06 0.01 0.00 -1.21 0.00 0.00 43.02 41.83 1x6f s PHE 12 CO 0.10 -0.23 -0.09 0.96 -1.34 0.00 0.00 175.22 174.61 1x6f s ILE 13 N -0.59 2.80 -0.33 -4.49 -4.36 -1.26 -5.08 121.20 107.90 1x6f s ILE 13 Ca -0.07 -0.83 0.03 0.00 -0.26 0.00 0.00 60.65 59.52 1x6f s ILE 13 Cb -0.04 -2.31 0.09 0.00 1.25 0.00 0.00 42.46 41.45 1x6f s ILE 13 CO 0.02 0.37 0.03 -0.63 0.24 0.00 0.00 174.94 174.96 1x6f s ILE 14 N 1.36 2.36 -0.84 8.37 -1.09 -1.26 -5.06 121.20 125.05 1x6f s ILE 14 Ca 0.03 -2.14 -0.20 0.00 -2.23 0.00 0.00 60.65 56.11 1x6f s ILE 14 Cb -0.15 -2.65 0.10 0.00 -1.58 0.00 0.00 42.46 38.19 1x6f s ILE 14 CO -0.06 -0.46 1.09 -0.76 -1.23 0.00 0.00 174.94 173.51 1x6f s LEU 15 N 0.98 4.69 -0.95 2.97 1.02 -1.26 -4.94 118.68 121.19 1x6f s LEU 15 Ca 0.06 -1.62 -0.02 0.00 0.02 0.00 0.00 54.13 52.56 1x6f s LEU 15 Cb -0.20 -2.42 0.27 0.00 0.02 0.00 0.00 46.19 43.87 1x6f s LEU 15 CO -0.07 -1.23 1.10 0.61 0.02 0.00 0.00 176.35 176.78 1x6f n GLY 16 N 5.55 4.69 3.61 -3.19 0.00 -1.26 -4.98 105.19 109.62 1x6f n GLY 16 Ca 0.15 -2.66 -0.07 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.03 -0.22 0.00 1.61 3.84 -1.26 -5.17 114.94 112.70 1x6f s ASN 17 Ca 0.32 0.26 0.00 0.00 0.21 0.00 0.00 52.86 53.65 1x6f s ASN 17 Cb 0.02 0.21 0.00 0.00 -0.55 0.00 0.00 41.25 40.92 1x6f s ASN 17 CO -0.01 -0.19 0.00 0.61 -2.79 0.00 0.00 177.10 174.72 1x6f n GLY 18 N 0.76 0.07 3.74 1.21 0.00 -1.26 -5.11 105.19 104.59 1x6f n GLY 18 Ca -0.06 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.00 4.39 0.15 1.61 0.04 -1.26 -4.92 135.00 133.01 1x6f s PRO 19 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1x6f s PRO 19 Cb 0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1x6f s PRO 19 CO 0.00 -0.26 0.00 -2.13 0.04 0.00 0.00 177.00 174.65 1x6f n ARG 20 N 2.72 0.00 -1.63 4.56 0.63 -1.26 -5.03 116.66 116.66 1x6f n ARG 20 Ca 0.06 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.54 1x6f n ARG 20 Cb 0.43 -0.32 -0.04 0.00 0.45 0.00 0.00 32.46 32.98 1x6f n ARG 20 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1x6f n LEU 21 N -3.43 3.47 -4.20 6.15 7.99 -1.26 -4.94 117.00 120.79 1x6f n LEU 21 Ca 0.00 0.71 -0.38 0.00 -0.01 0.00 0.00 56.01 56.33 1x6f n LEU 21 Cb 0.00 -1.45 -0.11 0.00 -0.11 0.00 0.00 43.42 41.75 1x6f n LEU 21 CO 0.00 -0.20 -0.15 -1.10 -1.51 0.00 0.00 177.39 174.42 1x6f s GLN 22 N 4.98 2.35 0.68 3.23 -0.21 -1.26 -5.09 119.66 124.34 1x6f s GLN 22 Ca 0.96 -1.59 -0.02 0.00 0.02 0.00 0.00 55.36 54.72 1x6f s GLN 22 Cb -0.55 -3.64 0.09 0.00 1.00 0.00 0.00 33.01 29.90 1x6f s GLN 22 CO 0.45 -0.98 0.95 1.21 -2.12 0.00 0.00 175.29 174.80 1x6f s ASN 23 N 1.95 4.67 -0.44 5.90 3.84 -1.26 -5.07 114.94 124.53 1x6f s ASN 23 Ca 0.04 -0.03 -0.01 0.00 0.21 0.00 0.00 52.86 53.07 1x6f s ASN 23 Cb -0.23 -0.55 0.12 0.00 -0.55 0.00 0.00 41.25 40.04 1x6f s ASN 23 CO -0.01 -1.63 0.22 -0.55 -2.79 0.00 0.00 177.10 172.34 1x6f s SER 24 N -4.60 5.12 0.04 -4.21 0.15 -1.26 -5.08 113.70 103.85 1x6f s SER 24 Ca 0.63 -2.26 0.05 0.00 0.70 0.00 0.00 55.95 55.07 1x6f s SER 24 Cb -0.08 -1.79 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1x6f s SER 24 CO 0.43 -0.47 -0.10 -0.89 1.20 0.00 0.00 173.24 173.41 1x6f s THR 25 N 0.80 3.38 -0.36 6.45 2.01 -1.26 -4.68 115.64 121.97 1x6f s THR 25 Ca 0.11 -0.99 -0.19 0.00 0.31 0.00 0.00 61.69 60.93 1x6f s THR 25 Cb -0.22 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1x6f s THR 25 CO -0.04 0.31 0.54 -0.31 -0.69 0.00 0.00 174.62 174.43 1x6f s TYR 26 N -1.03 3.16 -0.71 4.92 1.51 0.73 -4.87 117.35 121.05 1x6f s TYR 26 Ca 0.18 0.15 -0.24 0.00 -1.01 0.00 0.00 57.07 56.14 1x6f s TYR 26 Cb -0.11 -3.01 0.06 0.00 -0.11 0.00 0.00 41.96 38.79 1x6f s TYR 26 CO 0.09 -0.60 1.11 -1.14 -1.11 0.00 0.00 175.55 173.90 1x6f s GLN 27 N 2.48 3.17 -0.17 -0.62 2.00 -1.26 -0.64 119.66 124.62 1x6f s GLN 27 Ca 0.20 -0.64 -0.36 0.00 -2.00 0.00 0.00 55.36 52.55 1x6f s GLN 27 Cb -0.15 -4.27 -0.13 0.00 0.80 0.00 0.00 33.01 29.26 1x6f s GLN 27 CO 0.14 -1.96 1.87 0.00 -0.50 0.00 0.00 175.29 174.84 1x6f n LYS 29 N 6.44 1.39 -0.08 0.00 -0.00 -1.26 -0.24 118.16 124.41 1x6f n LYS 29 Ca 0.25 -0.37 -0.14 0.00 -0.00 0.00 0.00 58.31 58.05 1x6f n LYS 29 Cb 0.24 -1.39 -0.06 0.00 -0.00 0.00 0.00 35.03 33.82 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 -0.25 5.58 8.25 -1.26 -4.77 115.22 122.73 1x6f n HIS 30 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1x6f n HIS 30 Cb 0.26 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.81 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 -0.25 -4.89 -2.91 0.00 9.92 0.67 -4.99 116.55 114.10 1x6f n ASP 32 Ca 0.00 0.12 -0.13 0.00 -0.53 0.00 0.00 54.79 54.25 1x6f n ASP 32 Cb 0.23 -3.94 0.09 0.00 -0.64 0.00 0.00 41.12 36.86 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 -0.96 0.11 -3.87 -2.24 7.64 -1.21 -4.73 113.62 108.36 1x6f n SER 33 Ca -0.18 -1.25 -0.19 0.00 1.01 0.00 0.00 58.87 58.25 1x6f n SER 33 Cb 0.61 -0.45 -0.16 0.00 -1.01 0.00 0.00 64.21 63.19 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 -4.27 0.68 0.24 1.43 1.02 -1.26 -1.03 119.74 116.55 1x6f s LYS 34 Ca 0.34 -0.06 0.09 0.00 0.02 0.00 0.00 55.97 56.37 1x6f s LYS 34 Cb -0.01 -0.73 -0.05 0.00 -0.52 0.00 0.00 37.83 36.52 1x6f s LYS 34 CO 0.24 -0.09 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.91 1x6f s LEU 35 N 0.92 2.57 0.05 3.17 1.02 0.18 -4.91 118.68 121.68 1x6f s LEU 35 Ca -0.11 -1.04 -0.32 0.00 0.02 0.00 0.00 54.13 52.67 1x6f s LEU 35 Cb -0.14 -0.83 -0.18 0.00 0.02 0.00 0.00 46.19 45.05 1x6f s LEU 35 CO -0.00 -0.11 1.50 -0.61 0.02 0.00 0.00 176.35 177.14 1x6f h GLN 36 N 2.42 -0.92 0.00 1.70 4.15 -1.88 0.21 115.11 120.79 1x6f h GLN 36 Ca -0.39 0.06 -0.24 0.00 0.77 0.00 0.00 58.65 58.85 1x6f h GLN 36 Cb 1.24 0.21 -0.06 0.00 0.21 0.00 0.00 27.48 29.08 1x6f h GLN 36 CO 0.62 -0.60 -0.13 0.43 -1.93 0.00 0.00 178.83 177.22 1x6f n SER 37 N -5.48 -1.14 -0.13 -0.69 7.64 -1.26 -4.24 113.62 108.32 1x6f n SER 37 Ca -0.14 -2.61 0.06 0.00 1.01 0.00 0.00 58.87 57.20 1x6f n SER 37 Cb 0.39 2.14 0.38 0.00 -1.01 0.00 0.00 64.21 66.12 1x6f n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x6f h THR 38 N 1.86 1.03 -0.98 0.44 1.03 -1.97 -1.68 112.91 112.64 1x6f h THR 38 Ca -0.23 -0.23 0.19 0.00 -0.01 0.00 0.00 66.41 66.13 1x6f h THR 38 Cb 1.01 0.30 -0.10 0.00 -1.07 0.00 0.00 68.15 68.29 1x6f h THR 38 CO 0.31 0.12 0.61 0.00 -0.01 0.00 0.00 175.52 176.56 1x6f h ALA 39 N 1.65 1.82 0.04 0.00 0.00 -2.01 0.11 119.26 120.87 1x6f h ALA 39 Ca 0.27 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 1x6f h ALA 39 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1x6f h ALA 39 CO -0.08 -0.17 -1.01 0.93 0.00 0.00 0.00 179.25 178.92 1x6f h GLU 40 N 0.68 0.20 -0.51 0.00 5.08 -1.72 -3.29 114.58 115.02 1x6f h GLU 40 Ca 0.55 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1x6f h GLU 40 Cb 0.98 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1x6f h GLU 40 CO -0.32 1.05 0.06 1.25 -1.00 0.00 0.00 179.01 180.05 1x6f h LEU 41 N 0.09 0.83 -1.40 1.33 5.85 -0.65 0.19 115.31 121.54 1x6f h LEU 41 Ca -0.07 -0.27 0.21 0.00 0.84 0.00 0.00 57.88 58.59 1x6f h LEU 41 Cb 1.69 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.42 1x6f h LEU 41 CO 0.16 0.89 0.62 0.74 -0.34 0.00 0.00 178.44 180.51 1x6f h THR 42 N 0.73 0.65 0.05 1.05 2.02 -1.03 0.86 112.91 117.24 1x6f h THR 42 Ca 0.15 -0.16 -0.28 0.00 0.77 0.00 0.00 66.41 66.89 1x6f h THR 42 Cb 0.43 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1x6f h THR 42 CO 0.01 0.08 -1.53 0.28 0.37 0.00 0.00 175.52 174.73 1x6f h SER 43 N 0.46 0.16 -0.28 4.18 0.02 -1.61 -3.36 113.55 113.12 1x6f h SER 43 Ca 0.51 -0.67 0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1x6f h SER 43 Cb 1.20 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.61 1x6f h SER 43 CO -0.23 1.63 -0.25 -0.74 -1.14 0.00 0.00 176.83 176.11 1x6f h HIS 44 N -0.61 -0.65 -0.68 3.45 6.17 -0.14 -1.54 115.15 121.15 1x6f h HIS 44 Ca -0.38 0.04 0.15 0.00 0.71 0.00 0.00 60.37 60.89 1x6f h HIS 44 Cb 1.58 0.33 -0.12 0.00 2.52 0.00 0.00 27.41 31.72 1x6f h HIS 44 CO 0.09 -0.32 -0.00 -0.07 0.71 0.00 0.00 177.93 178.34 1x6f h LEU 45 N -0.23 -0.32 -0.86 0.26 3.38 -1.04 0.35 115.31 116.84 1x6f h LEU 45 Ca 0.15 0.17 0.22 0.00 0.09 0.00 0.00 57.88 58.52 1x6f h LEU 45 Cb 0.47 0.31 -0.15 0.00 0.09 0.00 0.00 40.66 41.38 1x6f h LEU 45 CO -0.42 -0.15 0.14 0.78 0.09 0.00 0.00 178.44 178.88 1x6f h ASN 46 N 0.11 -0.18 -1.19 -0.43 2.35 -1.42 0.60 115.58 115.43 1x6f h ASN 46 Ca 0.36 0.21 0.34 0.00 -0.55 0.00 0.00 56.30 56.67 1x6f h ASN 46 Cb 0.61 0.33 -0.09 0.00 0.05 0.00 0.00 38.32 39.22 1x6f h ASN 46 CO -0.60 -0.20 0.79 0.40 -1.65 0.00 0.00 177.43 176.17 1x6f h ILE 47 N 0.14 0.37 -0.02 2.81 2.04 -0.86 0.28 117.51 122.27 1x6f h ILE 47 Ca 0.52 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 66.30 1x6f h ILE 47 Cb 1.03 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1x6f h ILE 47 CO -0.71 0.04 -0.05 0.45 0.00 0.00 0.00 178.15 177.88 1x6f h HIS 48 N 0.20 0.10 0.33 1.37 3.86 0.14 -2.43 115.15 118.71 1x6f h HIS 48 Ca 0.66 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.81 1x6f h HIS 48 Cb 2.05 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.51 1x6f h HIS 48 CO -0.00 0.65 -0.16 -0.91 0.86 0.00 0.00 177.93 178.37 1x6f h ASN 49 N -0.49 -0.38 -0.90 2.45 2.35 -0.66 0.22 115.58 118.18 1x6f h ASN 49 Ca -0.00 -0.06 0.14 0.00 -0.55 0.00 0.00 56.30 55.83 1x6f h ASN 49 Cb 0.65 0.10 -0.09 0.00 0.05 0.00 0.00 38.32 39.03 1x6f h ASN 49 CO 0.01 -0.17 0.50 1.05 -1.65 0.00 0.00 177.43 177.18 1x6f h GLU 50 N -0.56 0.70 -0.14 0.81 4.11 -0.71 0.19 114.58 118.97 1x6f h GLU 50 Ca -0.05 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 1x6f h GLU 50 Cb 0.42 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1x6f h GLU 50 CO 0.07 0.47 -0.24 0.93 0.07 0.00 0.00 179.01 180.31 1x6f h GLU 51 N 0.73 0.41 -0.24 1.06 4.39 -1.24 -3.27 114.58 116.42 1x6f h GLU 51 Ca 0.48 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.95 1x6f h GLU 51 Cb 0.64 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1x6f h GLU 51 CO -0.34 0.85 0.11 0.35 -1.16 0.00 0.00 179.01 178.82 1x6f h PHE 52 N 0.02 0.21 -0.93 4.33 3.57 0.34 -2.75 116.94 121.73 1x6f h PHE 52 Ca 0.01 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.70 1x6f h PHE 52 Cb 0.82 -0.06 -0.17 0.00 2.79 0.00 0.00 35.95 39.33 1x6f h PHE 52 CO 0.10 0.11 -0.25 0.37 -2.23 0.00 0.00 178.31 176.41 1x6f h GLN 53 N 0.24 -0.01 0.39 1.11 5.75 -0.72 -0.56 115.11 121.32 1x6f h GLN 53 Ca 0.10 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 1x6f h GLN 53 Cb 0.04 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 1x6f h GLN 53 CO -0.08 -0.00 -0.47 -0.22 -2.65 0.00 0.00 178.83 175.41 1x6f h LYS 54 N -0.01 -0.85 -1.88 1.69 1.63 -1.56 -1.22 116.57 114.38 1x6f h LYS 54 Ca 0.43 0.06 0.56 0.00 -0.85 0.00 0.00 60.65 60.84 1x6f h LYS 54 Cb 0.67 0.19 -0.09 0.00 -0.60 0.00 0.00 32.23 32.40 1x6f h LYS 54 CO -0.95 -0.57 1.33 0.54 -3.45 0.00 0.00 179.45 176.35 1x6f n ARG 55 N -5.25 -0.01 -0.18 1.90 5.12 -0.25 0.19 116.66 118.18 1x6f n ARG 55 Ca -0.10 1.11 -0.03 0.00 -1.93 0.00 0.00 57.85 56.89 1x6f n ARG 55 Cb 0.42 -2.49 0.03 0.00 -1.16 0.00 0.00 32.46 29.25 1x6f n ARG 55 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x6f n ALA 56 N -2.85 2.96 -0.21 7.54 0.00 -0.46 -4.41 120.51 123.08 1x6f n ALA 56 Ca 0.44 -0.43 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1x6f n ALA 56 Cb 1.94 -1.07 0.12 0.00 0.00 0.00 0.00 19.45 20.45 1x6f n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1x6f h LYS 57 N 0.18 0.22 -6.50 0.00 1.79 0.20 -3.41 116.57 109.04 1x6f h LYS 57 Ca 0.09 -0.01 -0.31 0.00 -2.18 0.00 0.00 60.65 58.24 1x6f h LYS 57 Cb 1.26 -0.05 0.17 0.00 -1.58 0.00 0.00 32.23 32.03 1x6f h LYS 57 CO 0.16 0.14 -0.25 0.54 -1.08 0.00 0.00 179.45 178.96 1x6f n ARG 58 N -5.17 -3.33 -1.57 3.15 5.12 -1.26 -4.73 116.66 108.86 1x6f n ARG 58 Ca 0.10 -0.98 -0.49 0.00 -1.93 0.00 0.00 57.85 54.55 1x6f n ARG 58 Cb 0.36 -1.71 -0.06 0.00 -1.16 0.00 0.00 32.46 29.89 1x6f n ARG 58 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1x6f n GLN 59 N -3.65 1.61 -0.64 5.56 -0.06 -1.26 -4.91 117.38 114.02 1x6f n GLN 59 Ca 0.08 0.51 -0.32 0.00 -2.00 0.00 0.00 57.00 55.28 1x6f n GLN 59 Cb 0.48 -2.64 0.19 0.00 -4.06 0.00 0.00 30.24 24.21 1x6f n GLN 59 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1x6f n GLU 60 N 7.59 -1.76 -3.91 3.69 4.71 -1.26 -5.01 120.64 124.68 1x6f n GLU 60 Ca 0.32 -0.50 -0.21 0.00 -0.01 0.00 0.00 57.16 56.76 1x6f n GLU 60 Cb 0.28 -1.75 -0.02 0.00 -1.01 0.00 0.00 31.44 28.94 1x6f n GLU 60 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1x6f s ARG 61 N -3.56 3.30 -0.38 3.49 3.00 -1.26 -5.04 118.95 118.51 1x6f s ARG 61 Ca 0.58 -0.85 0.05 0.00 0.00 0.00 0.00 55.73 55.51 1x6f s ARG 61 Cb -0.13 -2.82 0.45 0.00 0.00 0.00 0.00 34.95 32.44 1x6f s ARG 61 CO 0.66 0.36 1.31 0.54 0.00 0.00 0.00 175.30 178.18 1x6f n ARG 62 N -1.41 3.45 -1.14 3.54 3.00 -1.26 -4.66 116.66 118.18 1x6f n ARG 62 Ca -0.07 -4.08 -0.00 0.00 -0.01 0.00 0.00 57.85 53.68 1x6f n ARG 62 Cb 0.57 -2.28 0.13 0.00 0.00 0.00 0.00 32.46 30.89 1x6f n ARG 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x6f n LYS 63 N -0.70 1.70 0.00 5.56 5.02 -1.26 -4.74 118.16 123.73 1x6f n LYS 63 Ca 0.46 -3.25 0.00 0.00 -2.02 0.00 0.00 58.31 53.50 1x6f n LYS 63 Cb 0.87 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 1x6f n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6f n GLN 64 N -0.74 0.00 -0.49 1.97 10.64 -1.26 -4.80 117.38 122.70 1x6f n GLN 64 Ca 0.21 0.00 0.41 0.00 -1.83 0.00 0.00 57.00 55.78 1x6f n GLN 64 Cb 0.83 -0.43 0.72 0.00 -0.86 0.00 0.00 30.24 30.49 1x6f n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1x6f h LEU 65 N 0.00 0.12 -8.01 2.61 3.38 -1.89 -3.40 115.31 108.12 1x6f h LEU 65 Ca 0.00 0.05 -0.54 0.00 0.09 0.00 0.00 57.88 57.48 1x6f h LEU 65 Cb 0.33 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 1x6f h LEU 65 CO 0.00 -0.05 1.69 0.18 0.09 0.00 0.00 178.44 180.35 1x6f n LEU 66 N -4.30 0.38 -3.81 1.67 4.32 -1.26 -4.87 117.00 109.13 1x6f n LEU 66 Ca 0.36 0.26 -0.13 0.00 -0.02 0.00 0.00 56.01 56.47 1x6f n LEU 66 Cb 1.53 -0.92 -0.14 0.00 -1.62 0.00 0.00 43.42 42.27 1x6f n LEU 66 CO 0.34 -0.73 -0.28 -0.44 -1.22 0.00 0.00 177.39 175.06 1x6f s SER 67 N 8.54 -0.06 0.32 -1.43 0.01 -1.26 -5.16 113.70 114.65 1x6f s SER 67 Ca 1.33 0.17 0.01 0.00 1.31 0.00 0.00 55.95 58.77 1x6f s SER 67 Cb -1.29 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 65.05 1x6f s SER 67 CO 0.52 -0.07 0.36 -0.54 0.41 0.00 0.00 173.24 173.91 1x6f s LYS 68 N 0.48 1.75 -0.01 12.44 -0.14 -1.26 -5.18 119.74 127.81 1x6f s LYS 68 Ca -0.04 -1.81 -0.27 0.00 -1.36 0.00 0.00 55.97 52.48 1x6f s LYS 68 Cb -0.05 0.38 0.06 0.00 -1.68 0.00 0.00 37.83 36.54 1x6f s LYS 68 CO -0.02 -0.68 0.61 1.14 -0.76 0.00 0.00 175.35 175.65 1x6f s GLN 69 N -3.39 1.04 0.03 1.68 -2.07 -1.26 -5.18 119.66 110.52 1x6f s GLN 69 Ca 0.35 0.08 -0.15 0.00 -1.82 0.00 0.00 55.36 53.82 1x6f s GLN 69 Cb 0.02 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.44 1x6f s GLN 69 CO 0.21 -0.34 0.32 0.21 -1.32 0.00 0.00 175.29 174.37 1x6f s LYS 70 N -1.63 0.81 0.27 9.60 2.47 -1.26 -5.18 119.74 124.82 1x6f s LYS 70 Ca -0.09 -0.43 -0.02 0.00 -1.56 0.00 0.00 55.97 53.87 1x6f s LYS 70 Cb -0.01 0.35 -0.02 0.00 -1.46 0.00 0.00 37.83 36.69 1x6f s LYS 70 CO 0.06 -0.26 0.31 1.52 0.16 0.00 0.00 175.35 177.13 1x6f s TYR 71 N -2.36 1.12 -0.07 4.03 1.13 -1.26 -5.18 117.35 114.76 1x6f s TYR 71 Ca -0.06 -1.30 -0.21 0.00 -1.41 0.00 0.00 57.07 54.09 1x6f s TYR 71 Cb -0.01 -0.34 0.05 0.00 -1.10 0.00 0.00 41.96 40.55 1x6f s TYR 71 CO -0.02 -0.87 0.49 0.00 -2.51 0.00 0.00 175.55 172.64 1x6f s ALA 72 N -3.73 -1.24 0.16 9.51 0.00 -1.26 -5.18 121.76 120.03 1x6f s ALA 72 Ca 0.34 0.95 -0.24 0.00 0.00 0.00 0.00 51.96 53.02 1x6f s ALA 72 Cb 0.03 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.01 1x6f s ALA 72 CO 0.17 -0.29 0.73 -0.51 0.00 0.00 0.00 175.76 175.86 1x6f s ASP 73 N -0.85 -0.40 0.00 0.00 1.11 -1.26 -5.18 116.67 110.09 1x6f s ASP 73 Ca -0.09 -0.20 0.00 0.00 0.18 0.00 0.00 52.55 52.44 1x6f s ASP 73 Cb -0.03 0.57 0.00 0.00 1.07 0.00 0.00 42.92 44.53 1x6f s ASP 73 CO 0.05 -0.98 0.00 0.61 1.18 0.00 0.00 175.17 176.03 1x6f n GLY 74 N -0.38 0.80 3.31 0.21 0.00 -1.26 -5.14 105.19 102.73 1x6f n GLY 74 Ca -0.11 -1.87 -0.17 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.01 1.76 0.57 4.61 0.00 -1.26 -5.16 121.76 121.26 1x6f s ALA 75 Ca 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 51.96 50.26 1x6f s ALA 75 Cb 0.00 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.38 1x6f s ALA 75 CO 0.00 -0.14 0.84 0.12 0.00 0.00 0.00 175.76 176.58 1x6f s PHE 76 N -3.29 3.08 -0.12 0.00 5.36 -1.26 -5.09 117.98 116.65 1x6f s PHE 76 Ca 0.24 0.34 -0.02 0.00 -0.96 0.00 0.00 56.93 56.52 1x6f s PHE 76 Cb 0.04 -2.74 -0.03 0.00 -0.34 0.00 0.00 43.02 39.95 1x6f s PHE 76 CO 0.06 -0.85 -0.04 0.00 -1.46 0.00 0.00 175.22 172.93 1x6f s ALA 77 N -2.89 3.06 0.00 11.12 0.00 -1.26 -4.97 121.76 126.82 1x6f s ALA 77 Ca 0.55 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1x6f s ALA 77 Cb -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1x6f s ALA 77 CO 0.42 0.38 0.00 -3.47 0.00 0.00 0.00 175.76 173.09 1x6f n ASP 78 N 2.92 4.59 -4.55 0.00 2.03 -1.26 -4.95 116.55 115.33 1x6f n ASP 78 Ca -0.18 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.74 1x6f n ASP 78 Cb 0.53 0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 41.42 1x6f n ASP 78 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1x6f s PHE 79 N -1.91 2.17 0.34 -0.67 0.08 -1.26 -4.99 117.98 111.75 1x6f s PHE 79 Ca 0.00 -0.01 -0.05 0.00 0.12 0.00 0.00 56.93 56.99 1x6f s PHE 79 Cb 0.00 -4.48 -0.05 0.00 -0.57 0.00 0.00 43.02 37.92 1x6f s PHE 79 CO 0.00 -2.06 0.62 0.21 -0.10 0.00 0.00 175.22 173.90 1x6f s LYS 80 N 5.94 3.63 -1.03 0.44 2.20 -1.26 -5.02 119.74 124.63 1x6f s LYS 80 Ca 0.47 0.08 -0.17 0.00 -0.36 0.00 0.00 55.97 55.99 1x6f s LYS 80 Cb -0.07 -2.56 0.15 0.00 -1.51 0.00 0.00 37.83 33.84 1x6f s LYS 80 CO 0.08 0.10 1.24 -0.65 -0.36 0.00 0.00 175.35 175.76 1x6f s GLN 81 N -3.85 3.79 0.84 4.03 -0.21 -1.26 -5.01 119.66 117.98 1x6f s GLN 81 Ca 0.45 -2.09 -0.11 0.00 0.02 0.00 0.00 55.36 53.63 1x6f s GLN 81 Cb -0.10 -4.96 0.13 0.00 1.00 0.00 0.00 33.01 29.07 1x6f s GLN 81 CO 0.33 -1.76 1.19 -1.83 -2.12 0.00 0.00 175.29 171.09 1x6f s GLU 82 N 2.22 1.46 0.16 2.91 -1.05 -1.26 -5.08 118.70 118.05 1x6f s GLU 82 Ca 0.36 -0.28 -0.04 0.00 -0.15 0.00 0.00 54.97 54.86 1x6f s GLU 82 Cb -0.04 -1.99 -0.05 0.00 -0.44 0.00 0.00 34.13 31.61 1x6f s GLU 82 CO -0.06 -1.84 0.38 -1.12 0.95 0.00 0.00 175.26 173.57 1x6f s SER 83 N -4.71 6.46 0.00 0.83 0.01 -1.26 -5.07 113.70 109.96 1x6f s SER 83 Ca 0.67 0.53 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1x6f s SER 83 Cb -0.08 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1x6f s SER 83 CO 0.49 0.03 0.16 0.61 0.41 0.00 0.00 173.24 174.94 1x6f n GLY 84 N -0.12 0.04 3.65 3.44 0.00 -1.26 -4.94 105.19 106.00 1x6f n GLY 84 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.71 -0.16 0.12 1.61 0.04 -1.26 -4.96 135.00 129.69 1x6f s PRO 85 Ca 0.00 0.32 -0.28 0.00 0.04 0.00 0.00 61.00 61.08 1x6f s PRO 85 Cb 0.00 -1.69 -0.06 0.00 0.04 0.00 0.00 34.50 32.79 1x6f s PRO 85 CO 0.00 -3.08 1.61 0.77 0.04 0.00 0.00 177.00 176.34 1x6f h SER 86 N -2.14 -1.02 -2.74 6.66 0.02 -2.06 -3.38 113.55 108.88 1x6f h SER 86 Ca -0.52 0.13 -0.56 0.00 -0.84 0.00 0.00 61.79 60.00 1x6f h SER 86 Cb 1.32 0.41 -0.02 0.00 0.14 0.00 0.00 62.40 64.25 1x6f h SER 86 CO 0.51 -0.40 1.09 -0.94 -1.14 0.00 0.00 176.83 175.94 1x6f s SER 87 N -4.82 6.53 0.00 3.07 1.04 -1.26 -5.08 113.70 113.18 1x6f s SER 87 Ca -0.16 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.07 1x6f s SER 87 Cb 0.09 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1x6f s SER 87 CO 0.65 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 174.37