#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 4.28 0.23 1.61 1.04 -1.26 -5.10 113.70 114.50 1x6f s SER 2 Ca 0.00 0.72 -0.13 0.00 0.48 0.00 0.00 55.95 57.01 1x6f s SER 2 Cb 0.00 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.97 1x6f s SER 2 CO 0.00 -2.04 0.47 -0.55 0.98 0.00 0.00 173.24 172.10 1x6f s SER 3 N -4.60 -0.10 0.00 7.02 0.15 -1.26 -5.18 113.70 109.72 1x6f s SER 3 Ca 0.64 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1x6f s SER 3 Cb -0.10 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1x6f s SER 3 CO 0.50 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1x6f n GLY 4 N -0.36 0.36 3.69 9.45 0.00 -1.26 -5.19 105.19 111.89 1x6f n GLY 4 Ca -0.03 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.85 1x6f n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6f s SER 5 N 0.00 -0.14 0.14 1.61 0.15 -1.26 -5.19 113.70 109.01 1x6f s SER 5 Ca 0.00 -0.29 -0.00 0.00 0.70 0.00 0.00 55.95 56.36 1x6f s SER 5 Cb 0.00 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.63 1x6f s SER 5 CO 0.00 -0.67 0.04 -0.55 1.20 0.00 0.00 173.24 173.27 1x6f s SER 6 N -2.92 0.53 0.00 5.45 0.15 -1.26 -5.17 113.70 110.48 1x6f s SER 6 Ca 0.13 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.57 1x6f s SER 6 Cb 0.01 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1x6f s SER 6 CO -0.00 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.35 1x6f n GLY 7 N -0.13 1.72 3.31 9.45 0.00 -1.26 -5.19 105.19 113.08 1x6f n GLY 7 Ca -0.06 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 1x6f n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1x6f s LEU 8 N 0.00 1.58 0.19 0.99 -0.00 -1.26 -5.18 118.68 115.01 1x6f s LEU 8 Ca 0.00 -1.52 -0.13 0.00 -0.00 0.00 0.00 54.13 52.48 1x6f s LEU 8 Cb 0.00 0.23 0.01 0.00 -0.00 0.00 0.00 46.19 46.42 1x6f s LEU 8 CO 0.00 -0.87 0.42 -0.54 -0.00 0.00 0.00 176.35 175.36 1x6f s LYS 9 N -3.88 1.33 -0.09 1.48 3.01 -1.26 -5.17 119.74 115.15 1x6f s LYS 9 Ca 0.37 -1.07 -0.07 0.00 -1.01 0.00 0.00 55.97 54.19 1x6f s LYS 9 Cb 0.06 0.45 0.03 0.00 -1.01 0.00 0.00 37.83 37.36 1x6f s LYS 9 CO 0.17 -0.53 0.22 -0.98 0.51 0.00 0.00 175.35 174.73 1x6f s ARG 10 N -3.94 0.23 -0.27 1.68 3.03 -1.26 -5.13 118.95 113.29 1x6f s ARG 10 Ca 0.15 0.36 -0.01 0.00 2.03 0.00 0.00 55.73 58.27 1x6f s ARG 10 Cb 0.01 0.05 0.16 0.00 -1.03 0.00 0.00 34.95 34.14 1x6f s ARG 10 CO 0.01 -0.07 0.47 -0.51 -1.13 0.00 0.00 175.30 174.07 1x6f s ASP 11 N 0.45 -0.39 -0.22 -2.89 1.01 -1.26 -5.15 116.67 108.23 1x6f s ASP 11 Ca -0.03 0.33 -0.23 0.00 0.71 0.00 0.00 52.55 53.33 1x6f s ASP 11 Cb -0.04 1.51 0.06 0.00 1.01 0.00 0.00 42.92 45.47 1x6f s ASP 11 CO -0.02 -0.30 0.65 -0.36 0.21 0.00 0.00 175.17 175.35 1x6f s PHE 12 N 2.67 -0.70 -0.24 4.23 0.40 -1.26 -5.14 117.98 117.94 1x6f s PHE 12 Ca 0.15 1.64 -0.03 0.00 -0.60 0.00 0.00 56.93 58.09 1x6f s PHE 12 Cb -0.14 0.26 0.11 0.00 0.51 0.00 0.00 43.02 43.75 1x6f s PHE 12 CO -0.20 -0.38 0.23 0.96 0.70 0.00 0.00 175.22 176.53 1x6f s ILE 13 N 0.13 -0.32 -0.21 0.64 -4.36 -1.26 -5.12 121.20 110.70 1x6f s ILE 13 Ca -0.02 -0.28 0.01 0.00 -0.26 0.00 0.00 60.65 60.11 1x6f s ILE 13 Cb -0.04 -0.79 0.04 0.00 1.25 0.00 0.00 42.46 42.92 1x6f s ILE 13 CO 0.02 -0.33 -0.14 -0.63 0.24 0.00 0.00 174.94 174.11 1x6f s ILE 14 N 2.32 1.92 -0.20 8.37 1.01 -1.26 -5.11 121.20 128.25 1x6f s ILE 14 Ca 0.08 -1.14 -0.06 0.00 0.00 0.00 0.00 60.65 59.53 1x6f s ILE 14 Cb -0.15 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1x6f s ILE 14 CO -0.20 0.25 0.03 -0.22 0.00 0.00 0.00 174.94 174.80 1x6f s LEU 15 N 1.29 3.50 0.00 2.97 1.98 -1.26 -5.10 118.68 122.05 1x6f s LEU 15 Ca -0.01 -0.09 0.00 0.00 -2.89 0.00 0.00 54.13 51.14 1x6f s LEU 15 Cb -0.16 -1.89 0.00 0.00 0.66 0.00 0.00 46.19 44.80 1x6f s LEU 15 CO -0.09 0.10 0.00 0.61 -1.89 0.00 0.00 176.35 175.08 1x6f n GLY 16 N 4.00 -0.85 3.71 7.98 0.00 -1.26 -5.08 105.19 113.69 1x6f n GLY 16 Ca -0.17 -1.34 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.37 4.44 0.12 1.61 -0.87 -1.26 -5.15 114.94 112.45 1x6f s ASN 17 Ca 0.00 -0.98 0.00 0.00 -1.57 0.00 0.00 52.86 50.31 1x6f s ASN 17 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.25 40.67 1x6f s ASN 17 CO 0.00 -0.41 0.00 0.61 -2.57 0.00 0.00 177.10 174.73 1x6f n GLY 18 N -1.15 1.15 0.08 0.66 0.00 -1.26 -5.04 105.19 99.64 1x6f n GLY 18 Ca -0.02 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 1x6f n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6f h PRO 19 N 0.00 -0.07 -4.47 1.61 0.13 -2.09 -3.48 132.00 123.63 1x6f h PRO 19 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.87 1x6f h PRO 19 Cb 0.00 0.02 0.11 0.00 0.13 0.00 0.00 31.00 31.25 1x6f h PRO 19 CO 0.00 0.39 -0.50 -2.13 -0.23 0.00 0.00 178.00 175.53 1x6f n ARG 20 N -4.90 -5.32 -4.08 0.86 0.63 -1.26 -5.03 116.66 97.56 1x6f n ARG 20 Ca -0.08 0.59 -0.25 0.00 -0.92 0.00 0.00 57.85 57.18 1x6f n ARG 20 Cb 0.25 -4.89 -0.06 0.00 0.45 0.00 0.00 32.46 28.22 1x6f n ARG 20 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1x6f s LEU 21 N -5.33 2.98 -0.03 6.15 1.02 -1.26 -5.15 118.68 117.06 1x6f s LEU 21 Ca 0.28 -1.14 -0.01 0.00 0.02 0.00 0.00 54.13 53.28 1x6f s LEU 21 Cb -0.12 -1.38 0.02 0.00 0.02 0.00 0.00 46.19 44.73 1x6f s LEU 21 CO 0.51 -0.70 0.05 -1.58 0.02 0.00 0.00 176.35 174.66 1x6f s GLN 22 N -4.00 0.03 0.27 1.70 0.74 -1.26 -5.16 119.66 111.98 1x6f s GLN 22 Ca 0.37 0.15 -0.01 0.00 0.05 0.00 0.00 55.36 55.92 1x6f s GLN 22 Cb 0.02 -0.10 -0.02 0.00 1.10 0.00 0.00 33.01 34.01 1x6f s GLN 22 CO 0.21 -0.09 0.31 -0.80 -0.55 0.00 0.00 175.29 174.37 1x6f s ASN 23 N 0.56 0.67 -0.62 6.67 -0.87 -1.26 -5.06 114.94 115.03 1x6f s ASN 23 Ca -0.04 -1.43 -0.00 0.00 -1.57 0.00 0.00 52.86 49.81 1x6f s ASN 23 Cb -0.06 0.53 0.44 0.00 -0.02 0.00 0.00 41.25 42.13 1x6f s ASN 23 CO -0.02 -1.06 1.89 -1.20 -2.57 0.00 0.00 177.10 174.14 1x6f n SER 24 N -0.88 7.20 -4.88 -1.22 7.64 -1.26 -5.00 113.62 115.21 1x6f n SER 24 Ca 0.02 -3.79 -0.30 0.00 1.01 0.00 0.00 58.87 55.82 1x6f n SER 24 Cb 0.63 -0.88 0.02 0.00 -1.01 0.00 0.00 64.21 62.98 1x6f n SER 24 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x6f s THR 25 N -4.84 4.22 -0.21 0.44 2.01 -1.26 -4.96 115.64 111.05 1x6f s THR 25 Ca 0.61 0.57 -0.21 0.00 0.31 0.00 0.00 61.69 62.97 1x6f s THR 25 Cb 0.48 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 1x6f s THR 25 CO -0.05 -0.87 0.64 -0.31 -0.69 0.00 0.00 174.62 173.34 1x6f s TYR 26 N -3.16 3.36 -0.21 4.92 1.51 0.12 -4.90 117.35 118.98 1x6f s TYR 26 Ca 0.55 0.92 -0.12 0.00 -1.01 0.00 0.00 57.07 57.41 1x6f s TYR 26 Cb -0.11 -2.81 -0.05 0.00 -0.11 0.00 0.00 41.96 38.88 1x6f s TYR 26 CO 0.51 -0.20 0.21 -0.65 -1.11 0.00 0.00 175.55 174.31 1x6f s GLN 27 N 2.02 4.16 0.63 -0.62 -1.52 -1.26 -0.45 119.66 122.62 1x6f s GLN 27 Ca 0.29 -0.12 -0.08 0.00 -1.95 0.00 0.00 55.36 53.50 1x6f s GLN 27 Cb -0.16 -3.48 0.01 0.00 -0.22 0.00 0.00 33.01 29.16 1x6f s GLN 27 CO 0.10 0.15 0.98 0.00 -0.25 0.00 0.00 175.29 176.27 1x6f n LYS 29 N -2.75 5.26 0.01 0.00 2.85 -1.26 -3.23 118.16 119.04 1x6f n LYS 29 Ca 0.05 -0.01 -0.19 0.00 -1.05 0.00 0.00 58.31 57.11 1x6f n LYS 29 Cb 0.57 -0.75 -0.14 0.00 -0.65 0.00 0.00 35.03 34.06 1x6f n LYS 29 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x6f h HIS 30 N 0.01 0.42 0.00 5.58 3.86 -2.00 -3.41 115.15 119.60 1x6f h HIS 30 Ca 0.00 -0.30 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1x6f h HIS 30 Cb 0.12 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1x6f h HIS 30 CO 0.00 1.64 -0.01 0.00 0.86 0.00 0.00 177.93 180.42 1x6f n ASP 32 N -0.57 -4.63 -2.41 0.00 8.00 -1.20 -5.00 116.55 110.74 1x6f n ASP 32 Ca 0.00 -0.41 -0.04 0.00 0.71 0.00 0.00 54.79 55.04 1x6f n ASP 32 Cb 0.00 -3.88 0.02 0.00 -0.02 0.00 0.00 41.12 37.24 1x6f n ASP 32 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1x6f n SER 33 N -2.00 0.18 -3.86 -2.24 2.88 -1.26 -4.71 113.62 102.61 1x6f n SER 33 Ca -0.04 -1.17 -0.29 0.00 -1.33 0.00 0.00 58.87 56.05 1x6f n SER 33 Cb 0.56 -0.13 -0.16 0.00 -0.75 0.00 0.00 64.21 63.73 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 -3.03 1.24 -0.06 -1.46 1.02 -1.26 -2.48 119.74 113.72 1x6f s LYS 34 Ca 0.12 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.49 1x6f s LYS 34 Cb -0.01 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1x6f s LYS 34 CO 0.08 -0.55 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.38 1x6f s LEU 35 N 1.63 3.14 0.15 3.17 1.02 0.41 -4.90 118.68 123.29 1x6f s LEU 35 Ca -0.02 -0.04 -0.27 0.00 0.02 0.00 0.00 54.13 53.82 1x6f s LEU 35 Cb -0.17 -1.69 -0.01 0.00 0.02 0.00 0.00 46.19 44.35 1x6f s LEU 35 CO -0.07 0.36 1.57 -0.61 0.02 0.00 0.00 176.35 177.62 1x6f h GLN 36 N 5.22 -0.31 -2.93 1.70 5.75 -1.96 0.34 115.11 122.91 1x6f h GLN 36 Ca -0.49 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.04 1x6f h GLN 36 Cb 1.17 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1x6f h GLN 36 CO 0.52 -0.21 0.33 0.45 -2.65 0.00 0.00 178.83 177.27 1x6f s SER 37 N -5.06 0.02 0.21 -0.69 0.15 -1.26 -4.16 113.70 102.91 1x6f s SER 37 Ca -0.15 -1.10 -0.18 0.00 0.70 0.00 0.00 55.95 55.22 1x6f s SER 37 Cb 0.12 0.80 0.21 0.00 -1.71 0.00 0.00 66.02 65.44 1x6f s SER 37 CO 0.65 -1.60 1.57 0.74 1.20 0.00 0.00 173.24 175.80 1x6f h THR 38 N 2.00 0.09 -0.94 6.45 2.02 -1.98 0.29 112.91 120.84 1x6f h THR 38 Ca -0.32 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.18 1x6f h THR 38 Cb 1.24 0.09 -0.09 0.00 -1.74 0.00 0.00 68.15 67.66 1x6f h THR 38 CO 0.41 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.91 1x6f n ALA 39 N -3.32 0.93 -0.01 6.16 0.00 -1.26 0.20 120.51 123.21 1x6f n ALA 39 Ca 0.08 0.57 -0.22 0.00 0.00 0.00 0.00 53.44 53.87 1x6f n ALA 39 Cb 0.38 -0.71 -0.14 0.00 0.00 0.00 0.00 19.45 18.99 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 0.22 -0.70 0.00 5.08 -0.85 -3.37 114.58 114.97 1x6f h GLU 40 Ca 0.59 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1x6f h GLU 40 Cb 1.92 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 31.26 1x6f h GLU 40 CO -0.29 1.18 0.40 1.25 -1.00 0.00 0.00 179.01 180.55 1x6f h LEU 41 N -0.18 0.59 -1.24 1.33 5.85 0.28 0.24 115.31 122.18 1x6f h LEU 41 Ca -0.39 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.52 1x6f h LEU 41 Cb 1.87 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.73 1x6f h LEU 41 CO 0.03 0.38 0.60 0.74 -0.34 0.00 0.00 178.44 179.85 1x6f h THR 42 N 0.73 0.78 0.09 1.05 2.02 -0.72 0.36 112.91 117.21 1x6f h THR 42 Ca 0.31 -0.23 -0.19 0.00 0.77 0.00 0.00 66.41 67.07 1x6f h THR 42 Cb 0.18 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1x6f h THR 42 CO -0.18 0.12 -0.94 -1.28 0.37 0.00 0.00 175.52 173.62 1x6f h SER 43 N 0.68 0.28 0.62 4.18 0.87 -1.43 -3.30 113.55 115.45 1x6f h SER 43 Ca 0.49 -0.87 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 1x6f h SER 43 Cb 0.85 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1x6f h SER 43 CO -0.25 1.41 -0.41 -0.74 -0.53 0.00 0.00 176.83 176.31 1x6f h HIS 44 N -0.55 -1.09 -0.83 2.24 6.17 -0.05 -2.88 115.15 118.16 1x6f h HIS 44 Ca -0.20 -0.01 0.16 0.00 0.71 0.00 0.00 60.37 61.03 1x6f h HIS 44 Cb 1.52 0.40 -0.16 0.00 2.52 0.00 0.00 27.41 31.69 1x6f h HIS 44 CO 0.17 -0.61 -0.23 -0.07 0.71 0.00 0.00 177.93 177.90 1x6f h LEU 45 N -0.98 -0.85 -0.94 0.26 3.38 -0.48 0.33 115.31 116.02 1x6f h LEU 45 Ca -0.08 0.25 0.28 0.00 0.09 0.00 0.00 57.88 58.43 1x6f h LEU 45 Cb 0.81 0.54 -0.16 0.00 0.09 0.00 0.00 40.66 41.93 1x6f h LEU 45 CO 0.06 -0.28 0.20 0.78 0.09 0.00 0.00 178.44 179.29 1x6f h ASN 46 N -0.01 -0.13 -0.98 -0.43 2.35 -1.58 0.91 115.58 115.70 1x6f h ASN 46 Ca 0.38 0.24 0.20 0.00 -0.55 0.00 0.00 56.30 56.58 1x6f h ASN 46 Cb 0.60 0.35 -0.09 0.00 0.05 0.00 0.00 38.32 39.24 1x6f h ASN 46 CO -0.85 -0.28 0.62 0.40 -1.65 0.00 0.00 177.43 175.66 1x6f h ILE 47 N 0.10 0.68 0.10 2.81 2.04 -0.34 0.21 117.51 123.12 1x6f h ILE 47 Ca 0.62 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 66.26 1x6f h ILE 47 Cb 1.35 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1x6f h ILE 47 CO -0.78 0.11 -0.05 0.45 0.00 0.00 0.00 178.15 177.88 1x6f h HIS 48 N 0.62 -0.13 -0.22 1.37 3.86 0.79 -3.10 115.15 118.34 1x6f h HIS 48 Ca 0.55 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.81 1x6f h HIS 48 Cb 1.05 0.04 -0.06 0.00 1.06 0.00 0.00 27.41 29.50 1x6f h HIS 48 CO -0.00 0.38 -0.15 -0.91 0.86 0.00 0.00 177.93 178.11 1x6f h ASN 49 N -0.83 -0.48 -0.97 2.45 2.35 -0.76 -0.69 115.58 116.66 1x6f h ASN 49 Ca -0.01 0.10 0.21 0.00 -0.55 0.00 0.00 56.30 56.05 1x6f h ASN 49 Cb 0.57 0.25 -0.08 0.00 0.05 0.00 0.00 38.32 39.10 1x6f h ASN 49 CO 0.02 -0.19 0.62 1.05 -1.65 0.00 0.00 177.43 177.29 1x6f h GLU 50 N -0.14 0.49 -0.44 0.81 4.11 -0.72 0.62 114.58 119.31 1x6f h GLU 50 Ca 0.12 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.43 1x6f h GLU 50 Cb 0.33 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1x6f h GLU 50 CO -0.30 0.32 -0.10 0.93 0.07 0.00 0.00 179.01 179.93 1x6f h GLU 51 N 0.50 0.84 -0.21 1.06 4.39 -1.06 -2.60 114.58 117.50 1x6f h GLU 51 Ca 0.53 -0.32 0.05 0.00 0.34 0.00 0.00 59.36 59.96 1x6f h GLU 51 Cb 1.18 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.73 1x6f h GLU 51 CO -0.26 0.95 -0.08 0.35 -1.16 0.00 0.00 179.01 178.82 1x6f h PHE 52 N 0.67 -0.17 0.31 4.33 3.57 -0.22 -2.82 116.94 122.60 1x6f h PHE 52 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1x6f h PHE 52 Cb 0.63 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1x6f h PHE 52 CO 0.05 -0.12 -0.20 1.96 -2.23 0.00 0.00 178.31 177.76 1x6f h GLN 53 N -0.04 -0.48 -0.73 1.11 1.08 -1.43 -1.72 115.11 112.90 1x6f h GLN 53 Ca 0.11 0.03 0.30 0.00 -1.45 0.00 0.00 58.65 57.64 1x6f h GLN 53 Cb 0.20 0.11 -0.13 0.00 -0.05 0.00 0.00 27.48 27.61 1x6f h GLN 53 CO -0.24 -0.32 0.36 1.63 -0.95 0.00 0.00 178.83 179.31 1x6f n LYS 54 N -5.33 -0.04 -0.07 1.46 5.02 -0.98 0.31 118.16 118.52 1x6f n LYS 54 Ca -0.10 1.01 -0.12 0.00 -2.02 0.00 0.00 58.31 57.08 1x6f n LYS 54 Cb 0.24 -1.80 -0.10 0.00 -0.02 0.00 0.00 35.03 33.36 1x6f n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6f h ARG 55 N 0.00 0.00 -6.57 1.97 3.08 -1.40 -3.48 114.38 107.98 1x6f h ARG 55 Ca 0.60 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 60.13 1x6f h ARG 55 Cb 1.58 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.49 1x6f h ARG 55 CO -0.57 0.75 -0.81 0.00 -1.07 0.00 0.00 179.97 178.28 1x6f n ALA 56 N -2.84 -1.29 -0.04 0.04 0.00 0.15 -4.84 120.51 111.69 1x6f n ALA 56 Ca -0.12 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1x6f n ALA 56 Cb 0.41 -3.84 -0.03 0.00 0.00 0.00 0.00 19.45 15.99 1x6f n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1x6f n LYS 57 N -4.50 0.23 -0.31 0.00 3.00 -1.26 -4.68 118.16 110.64 1x6f n LYS 57 Ca 0.05 0.10 0.15 0.00 -0.00 0.00 0.00 58.31 58.61 1x6f n LYS 57 Cb 0.51 -0.90 0.31 0.00 0.00 0.00 0.00 35.03 34.96 1x6f n LYS 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1x6f h ARG 58 N -0.41 0.16 -4.57 1.64 2.43 -1.92 -3.34 114.38 108.38 1x6f h ARG 58 Ca -0.18 -0.01 -0.61 0.00 -0.81 0.00 0.00 59.98 58.37 1x6f h ARG 58 Cb 0.92 -0.04 -0.37 0.00 -0.42 0.00 0.00 29.97 30.06 1x6f h ARG 58 CO -0.11 0.11 -0.81 -0.65 -1.51 0.00 0.00 179.97 177.00 1x6f s GLN 59 N -5.91 2.03 -0.17 0.20 -1.52 -1.26 -5.01 119.66 108.02 1x6f s GLN 59 Ca -0.12 -0.81 -0.14 0.00 -1.95 0.00 0.00 55.36 52.34 1x6f s GLN 59 Cb 0.27 -2.38 -0.06 0.00 -0.22 0.00 0.00 33.01 30.62 1x6f s GLN 59 CO 0.77 -0.41 -0.23 0.39 -0.25 0.00 0.00 175.29 175.55 1x6f n GLU 60 N 4.70 0.50 -3.52 2.91 1.02 -1.26 -4.85 120.64 120.13 1x6f n GLU 60 Ca -0.15 0.39 -0.35 0.00 -0.02 0.00 0.00 57.16 57.03 1x6f n GLU 60 Cb 0.47 -1.58 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 1x6f n GLU 60 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1x6f s ARG 61 N -2.53 3.82 -0.04 3.49 1.70 -1.26 -5.09 118.95 119.04 1x6f s ARG 61 Ca -0.22 0.27 -0.23 0.00 -0.47 0.00 0.00 55.73 55.08 1x6f s ARG 61 Cb 0.04 -3.02 0.05 0.00 -0.57 0.00 0.00 34.95 31.44 1x6f s ARG 61 CO 0.34 0.57 0.51 0.50 -1.08 0.00 0.00 175.30 176.13 1x6f s ARG 62 N -1.78 0.86 -0.30 3.89 3.52 -1.26 -5.16 118.95 118.72 1x6f s ARG 62 Ca 0.32 0.09 -0.10 0.00 -0.13 0.00 0.00 55.73 55.91 1x6f s ARG 62 Cb -0.15 0.40 0.15 0.00 -1.56 0.00 0.00 34.95 33.80 1x6f s ARG 62 CO 0.17 -0.25 0.78 0.21 -0.81 0.00 0.00 175.30 175.41 1x6f s LYS 63 N -1.15 0.46 -0.25 5.12 2.20 -1.26 -5.14 119.74 119.71 1x6f s LYS 63 Ca -0.11 1.07 -0.02 0.00 -0.36 0.00 0.00 55.97 56.55 1x6f s LYS 63 Cb -0.03 0.64 0.14 0.00 -1.51 0.00 0.00 37.83 37.07 1x6f s LYS 63 CO 0.07 -0.24 0.37 -0.65 -0.36 0.00 0.00 175.35 174.54 1x6f s GLN 64 N 2.75 0.35 -0.08 4.03 -1.52 -1.26 -5.15 119.66 118.79 1x6f s GLN 64 Ca -0.00 0.38 0.02 0.00 -1.95 0.00 0.00 55.36 53.81 1x6f s GLN 64 Cb -0.10 -0.51 -0.02 0.00 -0.22 0.00 0.00 33.01 32.16 1x6f s GLN 64 CO -0.18 -0.75 -0.13 -1.17 -0.25 0.00 0.00 175.29 172.81 1x6f s LEU 65 N 2.52 2.81 -0.44 2.90 2.96 -1.26 -5.09 118.68 123.07 1x6f s LEU 65 Ca 0.11 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1x6f s LEU 65 Cb -0.15 -1.60 0.12 0.00 0.50 0.00 0.00 46.19 45.06 1x6f s LEU 65 CO -0.20 0.29 0.17 -0.76 -1.32 0.00 0.00 176.35 174.53 1x6f s LEU 66 N -0.40 4.52 0.81 -0.68 1.43 -1.26 -5.10 118.68 117.99 1x6f s LEU 66 Ca 0.05 -2.64 -0.13 0.00 -1.03 0.00 0.00 54.13 50.38 1x6f s LEU 66 Cb -0.12 -1.64 0.09 0.00 0.03 0.00 0.00 46.19 44.55 1x6f s LEU 66 CO 0.02 -0.30 1.21 -1.54 0.23 0.00 0.00 176.35 175.97 1x6f n SER 67 N 3.61 1.03 -4.38 2.29 3.41 -1.26 -5.04 113.62 113.28 1x6f n SER 67 Ca 0.05 0.58 -0.24 0.00 -0.26 0.00 0.00 58.87 59.00 1x6f n SER 67 Cb 0.36 -1.51 -0.11 0.00 -0.26 0.00 0.00 64.21 62.69 1x6f n SER 67 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1x6f s LYS 68 N -4.13 1.41 0.12 4.33 -2.85 -1.26 -5.15 119.74 112.22 1x6f s LYS 68 Ca 0.73 -1.50 -0.01 0.00 -1.00 0.00 0.00 55.97 54.19 1x6f s LYS 68 Cb -0.29 -1.56 -0.04 0.00 -2.06 0.00 0.00 37.83 33.88 1x6f s LYS 68 CO 0.51 0.32 0.30 -1.14 0.10 0.00 0.00 175.35 175.43 1x6f s GLN 69 N -2.88 3.50 -0.04 1.78 0.74 -1.26 -5.10 119.66 116.40 1x6f s GLN 69 Ca 0.20 -0.36 -0.29 0.00 0.05 0.00 0.00 55.36 54.95 1x6f s GLN 69 Cb -0.06 -2.94 0.11 0.00 1.10 0.00 0.00 33.01 31.21 1x6f s GLN 69 CO 0.09 0.52 0.93 -1.59 -0.55 0.00 0.00 175.29 174.68 1x6f s LYS 70 N -2.82 0.75 0.06 1.67 0.00 -1.26 -5.19 119.74 112.96 1x6f s LYS 70 Ca 0.37 -0.24 -0.10 0.00 0.00 0.00 0.00 55.97 56.00 1x6f s LYS 70 Cb -0.12 0.35 0.01 0.00 0.00 0.00 0.00 37.83 38.06 1x6f s LYS 70 CO 0.27 -0.32 0.22 1.52 0.00 0.00 0.00 175.35 177.04 1x6f s TYR 71 N -2.87 0.04 0.06 1.78 1.13 -1.26 -5.18 117.35 111.05 1x6f s TYR 71 Ca 0.05 -0.32 -0.04 0.00 -1.41 0.00 0.00 57.07 55.35 1x6f s TYR 71 Cb -0.01 -0.00 -0.02 0.00 -1.10 0.00 0.00 41.96 40.82 1x6f s TYR 71 CO -0.08 -0.49 0.06 0.00 -2.51 0.00 0.00 175.55 172.54 1x6f s ALA 72 N -3.02 0.16 0.30 9.51 0.00 -1.26 -5.17 121.76 122.28 1x6f s ALA 72 Ca -0.02 -0.89 -0.20 0.00 0.00 0.00 0.00 51.96 50.86 1x6f s ALA 72 Cb 0.01 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.49 1x6f s ALA 72 CO -0.06 -0.40 0.75 -0.51 0.00 0.00 0.00 175.76 175.53 1x6f s ASP 73 N -2.73 -0.19 0.19 0.00 1.01 -1.26 -5.19 116.67 108.50 1x6f s ASP 73 Ca 0.04 -0.74 0.02 0.00 0.71 0.00 0.00 52.55 52.57 1x6f s ASP 73 Cb 0.05 0.75 -0.01 0.00 1.01 0.00 0.00 42.92 44.72 1x6f s ASP 73 CO -0.09 -1.42 0.06 0.61 0.21 0.00 0.00 175.17 174.54 1x6f n GLY 74 N -0.48 3.75 3.58 0.21 0.00 -1.26 -5.18 105.19 105.81 1x6f n GLY 74 Ca -0.05 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.48 0.25 0.31 4.61 0.00 -1.26 -5.19 121.76 118.00 1x6f s ALA 75 Ca 0.08 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1x6f s ALA 75 Cb 0.00 1.03 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 1x6f s ALA 75 CO 0.06 -0.85 0.15 -0.06 0.00 0.00 0.00 175.76 175.06 1x6f s PHE 76 N -3.07 1.62 0.09 0.00 0.08 -1.26 -5.18 117.98 110.27 1x6f s PHE 76 Ca 0.26 -1.34 -0.11 0.00 0.12 0.00 0.00 56.93 55.85 1x6f s PHE 76 Cb -0.01 -0.90 0.01 0.00 -0.57 0.00 0.00 43.02 41.55 1x6f s PHE 76 CO 0.16 -0.48 0.26 0.00 -0.10 0.00 0.00 175.22 175.06 1x6f s ALA 77 N -3.57 -0.47 0.18 5.36 0.00 -1.26 -5.18 121.76 116.81 1x6f s ALA 77 Ca 0.35 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.70 1x6f s ALA 77 Cb 0.05 0.51 0.06 0.00 0.00 0.00 0.00 23.12 23.75 1x6f s ALA 77 CO 0.17 -0.53 0.62 0.16 0.00 0.00 0.00 175.76 176.18 1x6f s ASP 78 N -2.72 -0.52 -0.25 0.00 -4.77 -1.26 -5.16 116.67 101.99 1x6f s ASP 78 Ca 0.03 -0.09 -0.04 0.00 -3.30 0.00 0.00 52.55 49.15 1x6f s ASP 78 Cb 0.03 0.62 0.14 0.00 -1.09 0.00 0.00 42.92 42.61 1x6f s ASP 78 CO -0.10 -1.02 0.45 0.12 0.70 0.00 0.00 175.17 175.32 1x6f s PHE 79 N -3.77 -1.03 -0.06 2.11 5.36 -1.26 -5.02 117.98 114.31 1x6f s PHE 79 Ca 0.03 1.28 0.03 0.00 -0.96 0.00 0.00 56.93 57.31 1x6f s PHE 79 Cb -0.02 0.26 -0.06 0.00 -0.34 0.00 0.00 43.02 42.86 1x6f s PHE 79 CO -0.10 -0.70 -0.02 0.36 -1.46 0.00 0.00 175.22 173.31 1x6f n LYS 80 N 5.39 1.86 -1.48 10.12 2.85 -1.26 -5.04 118.16 130.60 1x6f n LYS 80 Ca -0.05 0.02 -0.38 0.00 -1.05 0.00 0.00 58.31 56.85 1x6f n LYS 80 Cb 0.50 -1.15 0.04 0.00 -0.65 0.00 0.00 35.03 33.77 1x6f n LYS 80 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1x6f n GLN 81 N -2.42 0.57 -3.90 -1.58 3.00 -1.26 -5.01 117.38 106.77 1x6f n GLN 81 Ca -0.11 0.22 -0.09 0.00 -0.01 0.00 0.00 57.00 57.02 1x6f n GLN 81 Cb 0.67 -1.73 -0.08 0.00 0.00 0.00 0.00 30.24 29.10 1x6f n GLN 81 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1x6f s GLU 82 N -2.09 0.83 0.28 -1.09 2.02 -1.26 -5.18 118.70 112.20 1x6f s GLU 82 Ca 0.69 -1.02 0.06 0.00 0.02 0.00 0.00 54.97 54.72 1x6f s GLU 82 Cb -0.46 0.32 -0.06 0.00 0.10 0.00 0.00 34.13 34.04 1x6f s GLU 82 CO 0.54 -0.25 -0.04 0.45 0.02 0.00 0.00 175.26 175.97 1x6f s SER 83 N -2.88 2.63 -0.34 -0.19 0.15 -1.26 -5.13 113.70 106.68 1x6f s SER 83 Ca 0.06 -1.21 0.04 0.00 0.70 0.00 0.00 55.95 55.55 1x6f s SER 83 Cb 0.05 -0.14 0.17 0.00 -1.71 0.00 0.00 66.02 64.39 1x6f s SER 83 CO -0.10 -0.38 0.48 -0.83 1.20 0.00 0.00 173.24 173.60 1x6f s GLY 84 N -3.43 -0.69 0.29 9.45 0.00 -1.26 -5.16 107.32 106.52 1x6f s GLY 84 Ca 0.30 0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.98 1x6f s GLY 84 CO 0.12 3.20 0.26 -1.55 0.00 0.00 0.00 173.10 175.12 1x6f n PRO 85 N 4.85 -1.52 -3.83 2.90 -0.04 -1.26 -5.10 135.00 131.00 1x6f n PRO 85 Ca 0.06 -0.41 -0.08 0.00 -0.04 0.00 0.00 63.50 63.04 1x6f n PRO 85 Cb 0.51 -0.38 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 1x6f n PRO 85 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x6f s SER 86 N -2.20 -0.11 -0.14 3.54 0.01 -1.26 -5.19 113.70 108.35 1x6f s SER 86 Ca 0.17 -0.88 -0.31 0.00 1.31 0.00 0.00 55.95 56.23 1x6f s SER 86 Cb -0.02 0.77 0.13 0.00 0.21 0.00 0.00 66.02 67.12 1x6f s SER 86 CO 0.13 -1.49 1.07 -0.55 0.41 0.00 0.00 173.24 172.81 1x6f s SER 87 N -3.02 -0.26 0.00 2.44 0.15 -1.26 -5.38 113.70 106.37 1x6f s SER 87 Ca 0.14 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1x6f s SER 87 Cb -0.05 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1x6f s SER 87 CO 0.09 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.79