#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 4.78 -0.21 1.61 0.01 -1.26 -5.15 113.70 113.48 1x6f s SER 2 Ca 0.00 -1.06 -0.30 0.00 1.31 0.00 0.00 55.95 55.90 1x6f s SER 2 Cb 0.00 0.08 0.16 0.00 0.21 0.00 0.00 66.02 66.47 1x6f s SER 2 CO 0.00 -0.97 1.18 -0.55 0.41 0.00 0.00 173.24 173.30 1x6f s SER 3 N -4.26 -0.20 -0.11 2.44 0.15 -1.26 -5.16 113.70 105.31 1x6f s SER 3 Ca 0.41 0.19 -0.07 0.00 0.70 0.00 0.00 55.95 57.18 1x6f s SER 3 Cb -0.02 0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 1x6f s SER 3 CO 0.25 -0.20 0.16 -0.83 1.20 0.00 0.00 173.24 173.82 1x6f s GLY 4 N -1.23 2.18 -0.35 9.45 0.00 -1.26 -5.01 107.32 111.10 1x6f s GLY 4 Ca 0.04 -0.62 0.12 0.00 0.00 0.00 0.00 44.72 44.26 1x6f s GLY 4 CO -0.04 -0.36 1.08 -1.14 0.00 0.00 0.00 173.10 172.65 1x6f n SER 5 N 1.91 3.41 -4.90 1.64 3.41 -1.26 -5.08 113.62 112.75 1x6f n SER 5 Ca -0.19 -3.20 -0.28 0.00 -0.26 0.00 0.00 58.87 54.94 1x6f n SER 5 Cb 0.55 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1x6f n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x6f s SER 6 N -3.48 6.28 -0.02 4.04 1.04 -1.26 -4.84 113.70 115.45 1x6f s SER 6 Ca 0.40 0.95 -0.02 0.00 0.48 0.00 0.00 55.95 57.77 1x6f s SER 6 Cb 0.41 -2.26 0.01 0.00 0.10 0.00 0.00 66.02 64.27 1x6f s SER 6 CO -0.06 -0.58 0.03 0.61 0.98 0.00 0.00 173.24 174.23 1x6f n GLY 7 N -2.21 -3.26 2.71 7.32 0.00 -1.26 -5.06 105.19 103.43 1x6f n GLY 7 Ca 0.01 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.09 1.79 -0.30 0.99 2.96 -1.26 -5.10 118.68 117.68 1x6f s LEU 8 Ca -0.04 -1.42 -0.02 0.00 -0.22 0.00 0.00 54.13 52.43 1x6f s LEU 8 Cb 0.00 -0.74 0.05 0.00 0.50 0.00 0.00 46.19 45.99 1x6f s LEU 8 CO 0.10 -0.39 -0.00 -0.54 -1.32 0.00 0.00 176.35 174.19 1x6f s LYS 9 N 1.73 2.51 -0.28 1.98 3.01 -1.26 -5.07 119.74 122.36 1x6f s LYS 9 Ca 0.07 -1.21 0.03 0.00 -1.01 0.00 0.00 55.97 53.85 1x6f s LYS 9 Cb -0.17 -3.18 0.07 0.00 -1.01 0.00 0.00 37.83 33.54 1x6f s LYS 9 CO -0.23 -0.59 -0.05 0.50 0.51 0.00 0.00 175.35 175.48 1x6f s ARG 10 N 1.28 1.90 -0.30 1.68 3.52 -1.26 -5.05 118.95 120.72 1x6f s ARG 10 Ca -0.04 -1.42 -0.01 0.00 -0.13 0.00 0.00 55.73 54.12 1x6f s ARG 10 Cb -0.19 -2.90 0.19 0.00 -1.56 0.00 0.00 34.95 30.49 1x6f s ARG 10 CO -0.01 -0.68 0.70 0.16 -0.81 0.00 0.00 175.30 174.65 1x6f s ASP 11 N 1.11 -1.26 0.15 -2.12 -4.77 -1.26 -5.17 116.67 103.36 1x6f s ASP 11 Ca -0.03 0.48 -0.24 0.00 -3.30 0.00 0.00 52.55 49.46 1x6f s ASP 11 Cb -0.19 1.93 0.08 0.00 -1.09 0.00 0.00 42.92 43.64 1x6f s ASP 11 CO -0.07 -0.23 1.05 0.72 0.70 0.00 0.00 175.17 177.34 1x6f s PHE 12 N 2.87 0.00 -0.18 2.11 -0.71 -1.26 -5.16 117.98 115.66 1x6f s PHE 12 Ca 0.15 -0.34 -0.09 0.00 -1.04 0.00 0.00 56.93 55.61 1x6f s PHE 12 Cb -0.11 0.66 -0.05 0.00 -1.21 0.00 0.00 43.02 42.32 1x6f s PHE 12 CO -0.22 -0.82 0.12 0.42 -1.34 0.00 0.00 175.22 173.39 1x6f s ILE 13 N -2.50 5.33 0.05 -4.49 -1.09 -1.26 -5.08 121.20 112.15 1x6f s ILE 13 Ca 0.19 0.15 -0.26 0.00 -2.23 0.00 0.00 60.65 58.50 1x6f s ILE 13 Cb -0.02 -3.40 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 1x6f s ILE 13 CO 0.03 0.49 0.81 -0.63 -1.23 0.00 0.00 174.94 174.41 1x6f s ILE 14 N 0.01 4.72 0.76 2.92 1.09 -1.26 -5.06 121.20 124.38 1x6f s ILE 14 Ca 0.09 1.72 -0.09 0.00 -1.10 0.00 0.00 60.65 61.27 1x6f s ILE 14 Cb -0.11 -4.16 0.08 0.00 -1.06 0.00 0.00 42.46 37.20 1x6f s ILE 14 CO -0.00 0.34 1.09 -1.48 -0.10 0.00 0.00 174.94 174.79 1x6f s LEU 15 N 0.07 2.69 0.22 2.97 2.34 -1.26 -4.97 118.68 120.75 1x6f s LEU 15 Ca 0.41 0.56 -0.14 0.00 0.06 0.00 0.00 54.13 55.01 1x6f s LEU 15 Cb -0.21 -3.11 0.26 0.00 -0.56 0.00 0.00 46.19 42.57 1x6f s LEU 15 CO 0.24 -1.78 1.60 1.23 -1.06 0.00 0.00 176.35 176.58 1x6f h GLY 16 N -0.83 0.35 -3.48 -3.48 0.00 -2.07 -3.42 103.07 90.14 1x6f h GLY 16 Ca -0.45 0.31 -0.54 0.00 0.00 0.00 0.00 47.33 46.65 1x6f h GLY 16 CO 0.61 -0.26 -1.23 0.70 0.00 0.00 0.00 176.54 176.36 1x6f n ASN 17 N -5.48 -3.93 0.00 0.19 4.13 -1.26 -4.83 115.26 104.08 1x6f n ASN 17 Ca 0.09 0.50 0.00 0.00 1.68 0.00 0.00 54.58 56.85 1x6f n ASN 17 Cb 0.38 -0.77 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 1x6f n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x6f n GLY 18 N 2.54 0.93 3.58 7.41 0.00 -1.26 -4.98 105.19 113.40 1x6f n GLY 18 Ca 0.05 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.78 2.49 -0.07 1.61 0.04 -1.26 -4.87 135.00 131.17 1x6f s PRO 19 Ca 0.00 -1.05 -0.05 0.00 0.04 0.00 0.00 61.00 59.94 1x6f s PRO 19 Cb 0.00 -5.22 0.03 0.00 0.04 0.00 0.00 34.50 29.35 1x6f s PRO 19 CO 0.00 -3.92 0.18 0.50 0.04 0.00 0.00 177.00 173.80 1x6f s ARG 20 N 6.55 0.17 0.36 4.56 6.06 -1.26 -5.14 118.95 130.26 1x6f s ARG 20 Ca 0.69 0.32 -0.28 0.00 -2.50 0.00 0.00 55.73 53.95 1x6f s ARG 20 Cb -0.02 -0.01 -0.11 0.00 0.06 0.00 0.00 34.95 34.88 1x6f s ARG 20 CO 0.11 -0.08 1.47 -0.51 -2.50 0.00 0.00 175.30 173.79 1x6f s LEU 21 N 0.56 4.34 -1.02 -0.88 2.01 -1.26 -4.95 118.68 117.48 1x6f s LEU 21 Ca -0.04 2.98 -0.08 0.00 0.01 0.00 0.00 54.13 57.00 1x6f s LEU 21 Cb -0.05 -3.66 0.26 0.00 0.01 0.00 0.00 46.19 42.74 1x6f s LEU 21 CO -0.03 -0.82 0.99 -1.10 1.01 0.00 0.00 176.35 176.40 1x6f s GLN 22 N -1.87 3.90 -0.28 1.70 -0.21 -1.26 -4.97 119.66 116.67 1x6f s GLN 22 Ca 0.53 -3.14 -0.24 0.00 0.02 0.00 0.00 55.36 52.54 1x6f s GLN 22 Cb -0.45 -4.39 0.10 0.00 1.00 0.00 0.00 33.01 29.27 1x6f s GLN 22 CO 0.60 -1.25 0.89 0.54 -2.12 0.00 0.00 175.29 173.95 1x6f s ASN 23 N 1.07 -0.60 -0.02 5.90 6.03 -1.26 -5.17 114.94 120.90 1x6f s ASN 23 Ca 0.28 1.11 0.05 0.00 -1.03 0.00 0.00 52.86 53.28 1x6f s ASN 23 Cb -0.10 1.15 -0.01 0.00 -3.03 0.00 0.00 41.25 39.26 1x6f s ASN 23 CO -0.09 -0.19 -0.18 -0.55 -2.03 0.00 0.00 177.10 174.07 1x6f s SER 24 N 0.48 2.07 -0.15 3.54 0.15 -1.26 -5.13 113.70 113.40 1x6f s SER 24 Ca 0.00 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.32 1x6f s SER 24 Cb -0.05 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 63.99 1x6f s SER 24 CO -0.05 0.21 -0.11 0.42 1.20 0.00 0.00 173.24 174.91 1x6f s THR 25 N -0.38 3.16 -0.30 6.45 -4.23 -1.26 -4.51 115.64 114.58 1x6f s THR 25 Ca 0.06 -0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 59.67 1x6f s THR 25 Cb -0.07 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.42 1x6f s THR 25 CO -0.00 0.50 1.14 -0.31 -0.54 0.00 0.00 174.62 175.41 1x6f s TYR 26 N 0.60 3.03 -0.61 3.99 1.51 0.17 -4.79 117.35 121.26 1x6f s TYR 26 Ca -0.06 1.12 -0.22 0.00 -1.01 0.00 0.00 57.07 56.90 1x6f s TYR 26 Cb -0.15 -3.71 0.07 0.00 -0.11 0.00 0.00 41.96 38.05 1x6f s TYR 26 CO 0.03 -1.03 0.89 -0.65 -1.11 0.00 0.00 175.55 173.67 1x6f s GLN 27 N 3.74 3.16 0.89 -0.62 -1.52 -1.26 -1.29 119.66 122.75 1x6f s GLN 27 Ca 0.48 -0.76 -0.13 0.00 -1.95 0.00 0.00 55.36 53.01 1x6f s GLN 27 Cb -0.14 -4.17 0.06 0.00 -0.22 0.00 0.00 33.01 28.53 1x6f s GLN 27 CO 0.17 -1.63 0.71 0.00 -0.25 0.00 0.00 175.29 174.28 1x6f n LYS 29 N -2.34 1.75 -0.09 0.00 2.85 -1.26 -3.34 118.16 115.73 1x6f n LYS 29 Ca 0.09 -1.47 -0.12 0.00 -1.05 0.00 0.00 58.31 55.76 1x6f n LYS 29 Cb 0.52 -1.15 -0.09 0.00 -0.65 0.00 0.00 35.03 33.66 1x6f n LYS 29 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1x6f n HIS 30 N 0.23 0.00 -0.10 5.58 8.25 -1.26 -4.74 115.22 123.17 1x6f n HIS 30 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1x6f n HIS 30 Cb 0.28 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 -0.46 -3.18 -3.05 0.00 9.92 -1.21 -5.02 116.55 113.54 1x6f n ASP 32 Ca 0.00 -0.44 -0.10 0.00 -0.53 0.00 0.00 54.79 53.72 1x6f n ASP 32 Cb 0.03 -3.95 0.05 0.00 -0.64 0.00 0.00 41.12 36.61 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 -2.35 0.55 -3.75 -2.24 2.88 -1.26 -4.78 113.62 102.67 1x6f n SER 33 Ca -0.14 -1.47 -0.28 0.00 -1.33 0.00 0.00 58.87 55.65 1x6f n SER 33 Cb 0.60 -0.27 -0.16 0.00 -0.75 0.00 0.00 64.21 63.62 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 -3.53 0.74 0.25 -1.46 1.02 -1.26 -2.52 119.74 112.99 1x6f s LYS 34 Ca 0.28 -0.61 0.07 0.00 0.02 0.00 0.00 55.97 55.73 1x6f s LYS 34 Cb -0.02 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 1x6f s LYS 34 CO 0.18 -0.72 0.19 -0.51 -0.92 0.00 0.00 175.35 173.58 1x6f s LEU 35 N 1.78 3.80 0.01 3.17 1.02 -0.41 -4.87 118.68 123.18 1x6f s LEU 35 Ca 0.01 -0.26 -0.25 0.00 0.02 0.00 0.00 54.13 53.65 1x6f s LEU 35 Cb -0.17 -2.33 -0.14 0.00 0.02 0.00 0.00 46.19 43.56 1x6f s LEU 35 CO -0.12 -0.04 1.05 1.56 0.02 0.00 0.00 176.35 178.82 1x6f h GLN 36 N 1.50 -0.83 -3.65 1.70 7.50 -1.89 0.48 115.11 119.92 1x6f h GLN 36 Ca -0.48 0.06 -0.13 0.00 0.50 0.00 0.00 58.65 58.59 1x6f h GLN 36 Cb 1.24 0.19 -0.06 0.00 0.05 0.00 0.00 27.48 28.90 1x6f h GLN 36 CO 0.61 -0.54 -0.03 -1.12 -1.50 0.00 0.00 178.83 176.25 1x6f s SER 37 N -4.57 0.35 0.21 1.46 0.01 -1.26 -4.21 113.70 105.69 1x6f s SER 37 Ca -0.13 -1.21 -0.19 0.00 1.31 0.00 0.00 55.95 55.73 1x6f s SER 37 Cb 0.01 0.69 0.19 0.00 0.21 0.00 0.00 66.02 67.13 1x6f s SER 37 CO 0.41 -1.36 1.57 0.74 0.41 0.00 0.00 173.24 175.01 1x6f h THR 38 N 2.12 0.10 -0.98 1.44 2.02 -1.97 0.33 112.91 115.97 1x6f h THR 38 Ca -0.28 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.26 1x6f h THR 38 Cb 1.25 0.10 -0.13 0.00 -1.74 0.00 0.00 68.15 67.63 1x6f h THR 38 CO 0.38 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.86 1x6f n ALA 39 N -3.29 0.99 0.14 6.16 0.00 -1.26 0.24 120.51 123.49 1x6f n ALA 39 Ca 0.07 0.76 -0.23 0.00 0.00 0.00 0.00 53.44 54.04 1x6f n ALA 39 Cb 0.38 -0.84 -0.16 0.00 0.00 0.00 0.00 19.45 18.83 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 0.49 -0.79 0.00 4.39 -0.76 -3.32 114.58 114.59 1x6f h GLU 40 Ca 0.70 -0.83 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 1x6f h GLU 40 Cb 2.09 0.31 -0.03 0.00 -0.10 0.00 0.00 28.75 31.02 1x6f h GLU 40 CO -0.48 1.40 0.29 1.25 -1.16 0.00 0.00 179.01 180.31 1x6f h LEU 41 N 0.13 1.10 -1.57 1.33 5.85 0.34 0.44 115.31 122.94 1x6f h LEU 41 Ca -0.24 -0.18 0.17 0.00 0.84 0.00 0.00 57.88 58.46 1x6f h LEU 41 Cb 2.14 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.83 1x6f h LEU 41 CO 0.26 0.99 0.54 0.74 -0.34 0.00 0.00 178.44 180.63 1x6f h THR 42 N 1.15 0.75 0.10 1.05 2.02 -0.67 0.17 112.91 117.49 1x6f h THR 42 Ca 0.26 -0.14 -0.34 0.00 0.77 0.00 0.00 66.41 66.96 1x6f h THR 42 Cb 0.25 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1x6f h THR 42 CO -0.02 0.07 -1.89 -1.28 0.37 0.00 0.00 175.52 172.77 1x6f h SER 43 N 0.40 0.32 0.47 4.18 0.87 -1.56 -3.31 113.55 114.91 1x6f h SER 43 Ca 0.40 -0.70 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 1x6f h SER 43 Cb 0.97 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1x6f h SER 43 CO -0.13 1.62 -0.22 -0.74 -0.53 0.00 0.00 176.83 176.83 1x6f h HIS 44 N 0.06 -0.58 -0.98 2.24 6.17 -0.06 -2.85 115.15 119.14 1x6f h HIS 44 Ca -0.38 -0.01 0.16 0.00 0.71 0.00 0.00 60.37 60.85 1x6f h HIS 44 Cb 2.03 0.19 -0.10 0.00 2.52 0.00 0.00 27.41 32.06 1x6f h HIS 44 CO 0.06 -0.33 0.60 -0.07 0.71 0.00 0.00 177.93 178.90 1x6f h LEU 45 N -0.70 0.80 -1.42 0.26 3.38 -0.89 0.62 115.31 117.37 1x6f h LEU 45 Ca -0.06 0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.19 1x6f h LEU 45 Cb 0.52 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 1x6f h LEU 45 CO 0.11 0.35 0.61 0.78 0.09 0.00 0.00 178.44 180.37 1x6f h ASN 46 N 0.83 0.47 0.28 -0.43 2.35 -1.59 0.49 115.58 117.98 1x6f h ASN 46 Ca 0.54 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 56.31 1x6f h ASN 46 Cb 0.72 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 1x6f h ASN 46 CO -0.34 0.18 -0.13 0.40 -1.65 0.00 0.00 177.43 175.89 1x6f h ILE 47 N 0.47 0.73 0.00 2.81 2.04 -0.82 -2.88 117.51 119.86 1x6f h ILE 47 Ca 0.50 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1x6f h ILE 47 Cb 1.16 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1x6f h ILE 47 CO -0.22 0.13 0.00 1.41 0.00 0.00 0.00 178.15 179.47 1x6f n HIS 48 N -3.86 0.00 -0.25 1.37 8.25 0.17 -3.81 115.22 117.09 1x6f n HIS 48 Ca -0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 1x6f n HIS 48 Cb 0.23 -0.38 -0.06 0.00 1.12 0.00 0.00 29.99 30.90 1x6f n HIS 48 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1x6f n ASN 49 N -1.65 -0.64 -0.24 0.41 0.23 -1.09 0.84 115.26 113.13 1x6f n ASN 49 Ca 0.00 1.30 0.14 0.00 -0.53 0.00 0.00 54.58 55.48 1x6f n ASN 49 Cb 0.00 -0.25 0.27 0.00 -2.08 0.00 0.00 39.78 37.72 1x6f n ASN 49 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1x6f n GLU 50 N -4.44 -0.05 -0.04 -3.83 0.28 -1.09 0.17 120.64 111.65 1x6f n GLU 50 Ca 0.01 1.02 -0.13 0.00 -0.16 0.00 0.00 57.16 57.90 1x6f n GLU 50 Cb 0.16 -1.68 -0.09 0.00 1.43 0.00 0.00 31.44 31.26 1x6f n GLU 50 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1x6f h GLU 51 N 0.00 0.19 -0.76 3.44 4.39 0.34 -2.08 114.58 120.11 1x6f h GLU 51 Ca 0.47 -0.11 0.16 0.00 0.34 0.00 0.00 59.36 60.22 1x6f h GLU 51 Cb 1.08 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.63 1x6f h GLU 51 CO -0.62 0.66 0.25 0.35 -1.16 0.00 0.00 179.01 178.49 1x6f h PHE 52 N -0.26 0.40 -0.20 4.33 3.04 0.24 0.99 116.94 125.48 1x6f h PHE 52 Ca 0.01 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.92 1x6f h PHE 52 Cb 0.64 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.08 1x6f h PHE 52 CO 0.10 -0.03 -0.16 1.96 -2.02 0.00 0.00 178.31 178.16 1x6f h GLN 53 N 0.35 0.47 -0.01 1.11 4.20 -1.15 0.61 115.11 120.68 1x6f h GLN 53 Ca 0.43 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.94 1x6f h GLN 53 Cb 0.72 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 1x6f h GLN 53 CO -0.47 0.80 -0.19 0.87 -0.67 0.00 0.00 178.83 179.16 1x6f h LYS 54 N 0.15 -0.29 0.21 1.46 1.79 -0.48 -3.08 116.57 116.32 1x6f h LYS 54 Ca 0.04 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1x6f h LYS 54 Cb 0.69 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1x6f h LYS 54 CO 0.04 -0.20 -0.10 -0.09 -1.08 0.00 0.00 179.45 178.03 1x6f h ARG 55 N -0.30 -0.27 -7.08 3.15 9.65 -0.90 -3.46 114.38 115.16 1x6f h ARG 55 Ca 0.06 0.02 -0.61 0.00 -1.10 0.00 0.00 59.98 58.35 1x6f h ARG 55 Cb 0.38 0.06 -0.31 0.00 -1.39 0.00 0.00 29.97 28.72 1x6f h ARG 55 CO -0.19 0.07 -0.91 0.00 2.80 0.00 0.00 179.97 181.74 1x6f n ALA 56 N -2.43 -1.42 -1.20 2.80 0.00 0.20 -4.62 120.51 113.85 1x6f n ALA 56 Ca -0.09 -0.22 -0.50 0.00 0.00 0.00 0.00 53.44 52.63 1x6f n ALA 56 Cb 0.24 -2.28 -0.08 0.00 0.00 0.00 0.00 19.45 17.33 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 -4.24 0.00 -1.08 0.00 0.00 -1.26 -4.61 118.16 106.97 1x6f n LYS 57 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 1x6f n LYS 57 Cb 0.52 -1.15 -0.06 0.00 0.00 0.00 0.00 35.03 34.34 1x6f n LYS 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x6f n ARG 58 N 4.05 0.00 -3.84 1.64 5.12 -1.26 -4.93 116.66 117.44 1x6f n ARG 58 Ca 0.31 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 56.14 1x6f n ARG 58 Cb -0.04 -1.07 -0.03 0.00 -1.16 0.00 0.00 32.46 30.16 1x6f n ARG 58 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1x6f s GLN 59 N -0.02 1.62 -1.25 5.56 0.74 -1.26 -5.08 119.66 119.96 1x6f s GLN 59 Ca 0.65 -0.99 -0.16 0.00 0.05 0.00 0.00 55.36 54.91 1x6f s GLN 59 Cb -0.91 0.56 0.12 0.00 1.10 0.00 0.00 33.01 33.89 1x6f s GLN 59 CO 0.41 -0.72 1.57 -1.83 -0.55 0.00 0.00 175.29 174.18 1x6f s GLU 60 N -3.92 4.04 0.80 1.67 1.03 -1.26 -5.00 118.70 116.06 1x6f s GLU 60 Ca 0.12 -2.31 -0.16 0.00 0.03 0.00 0.00 54.97 52.66 1x6f s GLU 60 Cb -0.03 -5.28 -0.05 0.00 -0.80 0.00 0.00 34.13 27.96 1x6f s GLU 60 CO 0.04 -2.00 0.26 2.89 -1.33 0.00 0.00 175.26 175.12 1x6f n ARG 61 N 6.93 0.09 -1.65 -4.83 0.00 -1.26 -4.76 116.66 111.18 1x6f n ARG 61 Ca 0.42 0.07 -0.51 0.00 -0.00 0.00 0.00 57.85 57.83 1x6f n ARG 61 Cb 0.44 -1.65 -0.06 0.00 -0.00 0.00 0.00 32.46 31.20 1x6f n ARG 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1x6f n ARG 62 N -0.32 1.54 -3.67 2.89 0.00 -1.26 -4.96 116.66 110.88 1x6f n ARG 62 Ca 0.07 0.56 -0.09 0.00 -0.00 0.00 0.00 57.85 58.39 1x6f n ARG 62 Cb 0.51 -2.27 -0.09 0.00 0.00 0.00 0.00 32.46 30.61 1x6f n ARG 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1x6f s LYS 63 N 1.77 0.55 -0.27 -0.14 -2.85 -1.26 -5.11 119.74 112.43 1x6f s LYS 63 Ca 0.87 0.97 -0.28 0.00 -1.00 0.00 0.00 55.97 56.53 1x6f s LYS 63 Cb -0.87 0.08 -0.03 0.00 -2.06 0.00 0.00 37.83 34.94 1x6f s LYS 63 CO 0.49 -0.15 1.95 1.14 0.10 0.00 0.00 175.35 178.89 1x6f s GLN 64 N 1.39 3.31 -0.48 1.78 0.00 -1.26 -4.84 119.66 119.56 1x6f s GLN 64 Ca -0.09 1.71 -0.44 0.00 -0.00 0.00 0.00 55.36 56.55 1x6f s GLN 64 Cb -0.07 -4.25 -0.18 0.00 0.00 0.00 0.00 33.01 28.51 1x6f s GLN 64 CO -0.14 -1.89 2.01 1.28 0.00 0.00 0.00 175.29 176.55 1x6f n LEU 65 N 10.61 1.02 -4.47 2.60 7.99 -1.26 -4.87 117.00 128.63 1x6f n LEU 65 Ca 0.25 0.79 -0.29 0.00 -0.01 0.00 0.00 56.01 56.75 1x6f n LEU 65 Cb 0.46 -0.93 0.24 0.00 -0.11 0.00 0.00 43.42 43.08 1x6f n LEU 65 CO 0.67 -0.77 0.42 0.00 -1.51 0.00 0.00 177.39 176.20 1x6f n LEU 66 N 6.84 -1.21 -4.15 2.23 -0.00 -1.26 -5.04 117.00 114.40 1x6f n LEU 66 Ca 0.48 -0.12 -0.23 0.00 -0.00 0.00 0.00 56.01 56.14 1x6f n LEU 66 Cb -0.02 -1.25 -0.15 0.00 -0.00 0.00 0.00 43.42 42.01 1x6f n LEU 66 CO 0.87 -3.21 -0.49 -0.94 -0.00 0.00 0.00 177.39 173.62 1x6f s SER 67 N -2.36 1.88 -0.08 1.45 1.04 -1.26 -5.14 113.70 109.22 1x6f s SER 67 Ca 0.67 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.77 1x6f s SER 67 Cb -0.24 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.67 1x6f s SER 67 CO 0.65 0.16 -0.11 -0.75 0.98 0.00 0.00 173.24 174.17 1x6f s LYS 68 N -0.63 2.88 0.04 4.02 2.20 -1.26 -5.12 119.74 121.88 1x6f s LYS 68 Ca 0.05 -0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 55.03 1x6f s LYS 68 Cb -0.07 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 1x6f s LYS 68 CO 0.00 0.51 -0.03 -1.14 -0.36 0.00 0.00 175.35 174.34 1x6f s GLN 69 N -0.43 0.56 0.00 4.03 2.00 -1.26 -5.17 119.66 119.40 1x6f s GLN 69 Ca 0.06 -1.11 0.01 0.00 -2.00 0.00 0.00 55.36 52.32 1x6f s GLN 69 Cb -0.12 0.19 -0.01 0.00 0.80 0.00 0.00 33.01 33.88 1x6f s GLN 69 CO 0.02 -0.10 -0.04 -1.59 -0.50 0.00 0.00 175.29 173.08 1x6f s LYS 70 N -3.48 0.32 -0.22 1.67 -2.85 -1.26 -5.14 119.74 108.79 1x6f s LYS 70 Ca 0.03 -0.21 0.02 0.00 -1.00 0.00 0.00 55.97 54.81 1x6f s LYS 70 Cb 0.05 -0.28 0.04 0.00 -2.06 0.00 0.00 37.83 35.58 1x6f s LYS 70 CO -0.08 0.07 -0.15 0.71 0.10 0.00 0.00 175.35 176.00 1x6f s TYR 71 N -0.25 3.02 0.11 1.78 1.51 -1.26 -5.09 117.35 117.18 1x6f s TYR 71 Ca -0.00 -1.98 -0.35 0.00 -1.01 0.00 0.00 57.07 53.73 1x6f s TYR 71 Cb -0.02 -1.93 -0.15 0.00 -0.11 0.00 0.00 41.96 39.75 1x6f s TYR 71 CO -0.00 -0.84 1.52 0.00 -1.11 0.00 0.00 175.55 175.12 1x6f n ALA 72 N 4.53 0.57 -2.56 3.71 0.00 -1.26 -4.98 120.51 120.52 1x6f n ALA 72 Ca -0.18 0.46 -0.27 0.00 0.00 0.00 0.00 53.44 53.46 1x6f n ALA 72 Cb 0.46 -2.27 -0.09 0.00 0.00 0.00 0.00 19.45 17.55 1x6f n ALA 72 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x6f s ASP 73 N 1.00 4.21 0.00 0.00 -1.08 -1.26 -5.08 116.67 114.45 1x6f s ASP 73 Ca 0.82 -0.59 0.00 0.00 -0.52 0.00 0.00 52.55 52.26 1x6f s ASP 73 Cb -0.77 -0.70 0.00 0.00 -1.46 0.00 0.00 42.92 39.99 1x6f s ASP 73 CO 0.42 0.11 0.00 0.61 0.52 0.00 0.00 175.17 176.83 1x6f n GLY 74 N 0.08 1.37 3.12 2.66 0.00 -1.26 -5.17 105.19 105.98 1x6f n GLY 74 Ca -0.11 0.27 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.00 0.95 0.58 4.61 0.00 -1.26 -5.15 121.76 120.49 1x6f s ALA 75 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 1x6f s ALA 75 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 1x6f s ALA 75 CO 0.00 0.13 1.02 0.12 0.00 0.00 0.00 175.76 177.03 1x6f s PHE 76 N -1.08 3.40 -0.36 0.00 5.36 -1.26 -4.91 117.98 119.13 1x6f s PHE 76 Ca -0.03 1.41 -0.40 0.00 -0.96 0.00 0.00 56.93 56.95 1x6f s PHE 76 Cb -0.09 -2.81 -0.16 0.00 -0.34 0.00 0.00 43.02 39.62 1x6f s PHE 76 CO 0.01 -0.69 1.89 0.00 -1.46 0.00 0.00 175.22 174.98 1x6f n ALA 77 N -2.21 0.03 -2.86 11.12 0.00 -1.26 -4.93 120.51 120.40 1x6f n ALA 77 Ca 0.07 0.27 -0.26 0.00 0.00 0.00 0.00 53.44 53.52 1x6f n ALA 77 Cb 0.54 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 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 4.73 5.86 0.29 0.00 -1.08 -1.26 -5.12 116.67 120.09 1x6f s ASP 78 Ca 1.05 -0.01 -0.20 0.00 -0.52 0.00 0.00 52.55 52.87 1x6f s ASP 78 Cb -1.14 -1.63 0.02 0.00 -1.46 0.00 0.00 42.92 38.71 1x6f s ASP 78 CO 0.64 0.05 0.71 0.72 0.52 0.00 0.00 175.17 177.82 1x6f s PHE 79 N -1.77 -0.10 0.69 -5.34 -0.71 -1.26 -5.16 117.98 104.33 1x6f s PHE 79 Ca 0.32 -0.38 -0.15 0.00 -1.04 0.00 0.00 56.93 55.68 1x6f s PHE 79 Cb -0.10 0.69 0.02 0.00 -1.21 0.00 0.00 43.02 42.42 1x6f s PHE 79 CO 0.26 -1.27 1.17 0.21 -1.34 0.00 0.00 175.22 174.24 1x6f s LYS 80 N -3.69 2.45 0.47 1.99 2.47 -1.26 -5.05 119.74 117.12 1x6f s LYS 80 Ca 0.12 1.61 0.08 0.00 -1.56 0.00 0.00 55.97 56.22 1x6f s LYS 80 Cb -0.06 -1.89 0.02 0.00 -1.46 0.00 0.00 37.83 34.45 1x6f s LYS 80 CO 0.08 -1.57 0.54 -0.65 0.16 0.00 0.00 175.35 173.91 1x6f s GLN 81 N -3.95 2.54 -1.69 4.03 1.11 -1.26 -4.56 119.66 115.88 1x6f s GLN 81 Ca 0.71 -1.53 -0.14 0.00 0.01 0.00 0.00 55.36 54.41 1x6f s GLN 81 Cb -0.26 -2.53 0.14 0.00 -1.01 0.00 0.00 33.01 29.36 1x6f s GLN 81 CO 0.43 -0.43 0.35 -0.85 0.01 0.00 0.00 175.29 174.80 1x6f n GLU 82 N -1.84 -0.81 -0.96 2.91 0.28 -1.26 -4.82 120.64 114.15 1x6f n GLU 82 Ca 0.07 0.12 -0.34 0.00 -0.16 0.00 0.00 57.16 56.85 1x6f n GLU 82 Cb 0.61 -4.11 0.10 0.00 1.43 0.00 0.00 31.44 29.47 1x6f n GLU 82 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1x6f n SER 83 N -2.50 -1.96 -4.51 -1.84 3.41 -1.26 -4.93 113.62 100.02 1x6f n SER 83 Ca -0.05 0.41 -0.29 0.00 -0.26 0.00 0.00 58.87 58.68 1x6f n SER 83 Cb 0.53 -1.19 0.24 0.00 -0.26 0.00 0.00 64.21 63.53 1x6f n SER 83 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x6f s GLY 84 N -1.79 1.58 1.22 5.00 0.00 -1.26 -5.01 107.32 107.05 1x6f s GLY 84 Ca 0.59 0.07 -0.20 0.00 0.00 0.00 0.00 44.72 45.17 1x6f s GLY 84 CO 0.65 0.73 1.08 -1.55 0.00 0.00 0.00 173.10 174.01 1x6f n PRO 85 N -4.85 -3.13 -3.92 2.90 -0.04 -1.26 -5.08 135.00 119.63 1x6f n PRO 85 Ca 0.05 -1.72 -0.22 0.00 -0.04 0.00 0.00 63.50 61.57 1x6f n PRO 85 Cb 0.53 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 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 -4.41 5.07 0.00 3.54 0.01 -1.26 -5.06 113.70 111.59 1x6f s SER 86 Ca 0.70 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1x6f s SER 86 Cb -0.07 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.28 1x6f s SER 86 CO 0.54 -0.33 0.00 -1.54 0.41 0.00 0.00 173.24 172.31 1x6f n SER 87 N -1.29 0.26 0.00 2.44 3.41 -1.26 -5.35 113.62 111.84 1x6f n SER 87 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1x6f n SER 87 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1x6f n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49