#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 5.50 0.03 1.61 0.01 -1.26 -5.06 113.70 114.53 1x6f s SER 2 Ca 0.00 -1.82 -0.01 0.00 1.31 0.00 0.00 55.95 55.43 1x6f s SER 2 Cb 0.00 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.28 1x6f s SER 2 CO 0.00 -0.58 -0.00 -0.44 0.41 0.00 0.00 173.24 172.62 1x6f s SER 3 N 2.19 0.28 0.00 2.44 0.01 -1.26 -5.10 113.70 112.26 1x6f s SER 3 Ca 0.05 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1x6f s SER 3 Cb -0.24 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1x6f s SER 3 CO -0.01 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1x6f n GLY 4 N 1.08 0.42 2.92 3.44 0.00 -1.26 -5.04 105.19 106.75 1x6f n GLY 4 Ca -0.21 -1.28 -0.16 0.00 0.00 0.00 0.00 46.02 44.37 1x6f n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x6f n SER 5 N 0.00 -4.29 -3.89 1.61 2.88 -1.26 -5.02 113.62 103.65 1x6f n SER 5 Ca 0.00 -0.40 -0.29 0.00 -1.33 0.00 0.00 58.87 56.85 1x6f n SER 5 Cb 0.00 -3.74 -0.16 0.00 -0.75 0.00 0.00 64.21 59.56 1x6f n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x6f s SER 6 N -3.43 3.16 0.14 -3.46 0.15 -1.26 -5.13 113.70 103.88 1x6f s SER 6 Ca 0.30 -0.84 0.05 0.00 0.70 0.00 0.00 55.95 56.16 1x6f s SER 6 Cb -0.13 -0.98 -0.04 0.00 -1.71 0.00 0.00 66.02 63.16 1x6f s SER 6 CO 0.52 -0.21 -0.10 -0.83 1.20 0.00 0.00 173.24 173.82 1x6f s GLY 7 N 1.57 1.05 -0.25 9.45 0.00 -1.26 -5.14 107.32 112.74 1x6f s GLY 7 Ca -0.01 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.24 1x6f s GLY 7 CO -0.07 -1.55 0.38 -2.27 0.00 0.00 0.00 173.10 169.59 1x6f s LEU 8 N -3.05 -0.63 -0.17 0.66 2.96 -1.26 -5.13 118.68 112.06 1x6f s LEU 8 Ca 0.15 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1x6f s LEU 8 Cb 0.01 1.07 0.09 0.00 0.50 0.00 0.00 46.19 47.87 1x6f s LEU 8 CO 0.01 -0.31 0.28 -0.54 -1.32 0.00 0.00 176.35 174.47 1x6f s LYS 9 N 2.53 0.21 -0.30 1.98 -0.14 -1.26 -5.11 119.74 117.65 1x6f s LYS 9 Ca 0.12 0.58 -0.10 0.00 -1.36 0.00 0.00 55.97 55.20 1x6f s LYS 9 Cb -0.15 -0.42 0.18 0.00 -1.68 0.00 0.00 37.83 35.77 1x6f s LYS 9 CO -0.19 -0.45 0.96 0.50 -0.76 0.00 0.00 175.35 175.41 1x6f s ARG 10 N 2.43 0.26 0.41 1.68 3.00 -1.26 -5.18 118.95 120.29 1x6f s ARG 10 Ca 0.05 0.43 0.08 0.00 -1.00 0.00 0.00 55.73 55.29 1x6f s ARG 10 Cb -0.14 0.24 -0.01 0.00 0.00 0.00 0.00 34.95 35.04 1x6f s ARG 10 CO -0.11 -0.31 0.41 0.16 0.00 0.00 0.00 175.30 175.46 1x6f s ASP 11 N 2.93 5.20 0.35 -2.12 1.47 -1.26 -5.15 116.67 118.10 1x6f s ASP 11 Ca 0.05 -0.65 0.04 0.00 1.18 0.00 0.00 52.55 53.17 1x6f s ASP 11 Cb -0.10 -0.63 -0.03 0.00 -0.34 0.00 0.00 42.92 41.82 1x6f s ASP 11 CO -0.14 -0.65 0.16 0.72 0.68 0.00 0.00 175.17 175.94 1x6f s PHE 12 N -2.43 1.71 -0.45 2.11 -0.71 -1.26 -5.11 117.98 111.84 1x6f s PHE 12 Ca 0.49 -1.37 -0.27 0.00 -1.04 0.00 0.00 56.93 54.74 1x6f s PHE 12 Cb -0.05 -0.96 0.03 0.00 -1.21 0.00 0.00 43.02 40.83 1x6f s PHE 12 CO 0.29 -0.48 0.99 0.96 -1.34 0.00 0.00 175.22 175.64 1x6f s ILE 13 N -3.42 4.41 -0.79 -4.49 -4.36 -1.26 -4.99 121.20 106.30 1x6f s ILE 13 Ca 0.32 0.96 -0.14 0.00 -0.26 0.00 0.00 60.65 61.53 1x6f s ILE 13 Cb 0.04 -4.47 0.20 0.00 1.25 0.00 0.00 42.46 39.48 1x6f s ILE 13 CO 0.18 -0.84 0.74 -0.63 0.24 0.00 0.00 174.94 174.63 1x6f s ILE 14 N 3.92 5.53 0.00 8.37 1.09 -1.26 -4.73 121.20 134.13 1x6f s ILE 14 Ca 0.41 -2.30 0.00 0.00 -1.10 0.00 0.00 60.65 57.65 1x6f s ILE 14 Cb -0.09 -4.46 0.00 0.00 -1.06 0.00 0.00 42.46 36.85 1x6f s ILE 14 CO 0.27 -1.02 0.00 -0.11 -0.10 0.00 0.00 174.94 173.98 1x6f n LEU 15 N 4.23 1.33 -3.38 2.97 0.00 -1.26 -5.08 117.00 115.81 1x6f n LEU 15 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 56.01 55.92 1x6f n LEU 15 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.89 1x6f n LEU 15 CO 0.37 0.20 -0.06 0.61 0.00 0.00 0.00 177.39 178.50 1x6f n GLY 16 N 3.08 -0.92 3.09 -3.96 0.00 -1.26 -4.86 105.19 100.36 1x6f n GLY 16 Ca 0.00 0.84 -0.36 0.00 0.00 0.00 0.00 46.02 46.50 1x6f n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x6f n ASN 17 N -1.38 -4.69 -1.21 1.61 4.13 -1.26 -5.01 115.26 107.45 1x6f n ASN 17 Ca -0.11 0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1x6f n ASN 17 Cb 0.60 -0.82 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 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 3.05 4.62 3.56 7.41 0.00 -1.26 -5.06 105.19 117.50 1x6f n GLY 18 Ca -0.00 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.39 2.56 0.07 1.61 0.04 -1.26 -4.95 135.00 131.68 1x6f s PRO 19 Ca 0.00 -0.22 0.04 0.00 0.04 0.00 0.00 61.00 60.86 1x6f s PRO 19 Cb 0.00 -5.02 -0.04 0.00 0.04 0.00 0.00 34.50 29.49 1x6f s PRO 19 CO 0.00 -3.34 -0.02 1.03 0.04 0.00 0.00 177.00 174.71 1x6f s ARG 20 N 7.02 2.52 0.03 4.56 3.00 -1.26 -5.12 118.95 129.70 1x6f s ARG 20 Ca 0.70 -0.82 -0.05 0.00 0.00 0.00 0.00 55.73 55.56 1x6f s ARG 20 Cb -0.07 -2.52 -0.05 0.00 0.00 0.00 0.00 34.95 32.31 1x6f s ARG 20 CO 0.01 0.55 0.27 -0.51 0.00 0.00 0.00 175.30 175.62 1x6f s LEU 21 N -2.09 4.35 0.16 2.53 1.02 -1.26 -5.11 118.68 118.29 1x6f s LEU 21 Ca 0.23 0.51 -0.03 0.00 0.02 0.00 0.00 54.13 54.86 1x6f s LEU 21 Cb -0.12 -2.80 -0.03 0.00 0.02 0.00 0.00 46.19 43.26 1x6f s LEU 21 CO 0.15 0.21 0.13 -1.10 0.02 0.00 0.00 176.35 175.77 1x6f s GLN 22 N -2.00 1.07 0.20 1.70 -0.21 -1.26 -5.12 119.66 114.03 1x6f s GLN 22 Ca 0.30 -1.44 -0.30 0.00 0.02 0.00 0.00 55.36 53.94 1x6f s GLN 22 Cb -0.13 0.28 -0.16 0.00 1.00 0.00 0.00 33.01 34.00 1x6f s GLN 22 CO 0.19 -0.34 0.83 0.09 -2.12 0.00 0.00 175.29 173.94 1x6f n ASN 23 N -0.17 0.06 -4.62 5.90 5.03 -1.26 -4.79 115.26 115.41 1x6f n ASN 23 Ca -0.04 1.15 -0.46 0.00 0.87 0.00 0.00 54.58 56.10 1x6f n ASN 23 Cb 0.64 -1.09 -0.03 0.00 -1.02 0.00 0.00 39.78 38.28 1x6f n ASN 23 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1x6f n SER 24 N 1.74 1.86 -4.25 6.41 2.88 -1.26 -4.99 113.62 116.00 1x6f n SER 24 Ca 0.15 1.16 -0.14 0.00 -1.33 0.00 0.00 58.87 58.71 1x6f n SER 24 Cb 0.25 -1.32 -0.10 0.00 -0.75 0.00 0.00 64.21 62.29 1x6f n SER 24 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1x6f s THR 25 N -0.45 0.78 -0.19 2.46 -4.23 -1.26 -4.63 115.64 108.13 1x6f s THR 25 Ca 0.66 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 59.15 1x6f s THR 25 Cb -0.73 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 1x6f s THR 25 CO 0.54 -0.50 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.76 1x6f s TYR 26 N -3.58 2.95 -0.52 3.99 1.51 0.13 -4.86 117.35 116.96 1x6f s TYR 26 Ca 0.23 -0.73 -0.21 0.00 -1.01 0.00 0.00 57.07 55.35 1x6f s TYR 26 Cb 0.06 -2.03 0.05 0.00 -0.11 0.00 0.00 41.96 39.92 1x6f s TYR 26 CO 0.04 -0.37 0.75 -0.65 -1.11 0.00 0.00 175.55 174.21 1x6f s GLN 27 N 1.05 3.21 -0.05 -0.62 -1.52 -1.26 -1.69 119.66 118.78 1x6f s GLN 27 Ca 0.01 -0.63 -0.30 0.00 -1.95 0.00 0.00 55.36 52.49 1x6f s GLN 27 Cb -0.15 -4.08 -0.07 0.00 -0.22 0.00 0.00 33.01 28.50 1x6f s GLN 27 CO -0.00 -1.32 1.86 0.00 -0.25 0.00 0.00 175.29 175.57 1x6f n LYS 29 N 7.55 0.90 -0.10 0.00 0.00 -1.26 0.11 118.16 125.36 1x6f n LYS 29 Ca 0.20 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.33 1x6f n LYS 29 Cb 0.42 -1.05 -0.09 0.00 -0.00 0.00 0.00 35.03 34.31 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 -0.43 0.00 0.00 5.58 8.25 -1.26 -4.78 115.22 122.58 1x6f n HIS 30 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1x6f n HIS 30 Cb 0.03 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.36 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 -0.75 -2.61 -3.26 0.00 2.03 0.31 -5.01 116.55 107.26 1x6f n ASP 32 Ca 0.00 -0.15 -0.10 0.00 0.52 0.00 0.00 54.79 55.06 1x6f n ASP 32 Cb 0.00 -1.71 0.05 0.00 -0.72 0.00 0.00 41.12 38.73 1x6f n ASP 32 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1x6f n SER 33 N -0.60 0.77 -3.90 1.67 2.88 -1.24 -4.77 113.62 108.44 1x6f n SER 33 Ca -0.04 -1.61 -0.23 0.00 -1.33 0.00 0.00 58.87 55.66 1x6f n SER 33 Cb 0.53 -0.26 -0.17 0.00 -0.75 0.00 0.00 64.21 63.56 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 -3.48 1.16 0.10 -1.46 1.02 -1.25 -2.33 119.74 113.50 1x6f s LYS 34 Ca 0.30 -0.17 0.09 0.00 0.02 0.00 0.00 55.97 56.21 1x6f s LYS 34 Cb -0.02 -1.19 -0.03 0.00 -0.52 0.00 0.00 37.83 36.07 1x6f s LYS 34 CO 0.19 -0.15 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.74 1x6f s LEU 35 N 1.28 2.29 0.10 3.17 1.02 -0.68 -4.87 118.68 120.98 1x6f s LEU 35 Ca -0.04 -0.68 -0.30 0.00 0.02 0.00 0.00 54.13 53.12 1x6f s LEU 35 Cb -0.14 -0.97 -0.13 0.00 0.02 0.00 0.00 46.19 44.98 1x6f s LEU 35 CO -0.02 0.10 1.62 -0.61 0.02 0.00 0.00 176.35 177.45 1x6f h GLN 36 N 4.12 -0.65 -3.39 1.70 5.75 -1.91 0.38 115.11 121.12 1x6f h GLN 36 Ca -0.47 0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 57.99 1x6f h GLN 36 Cb 1.18 0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.84 1x6f h GLN 36 CO 0.40 -0.43 0.10 0.45 -2.65 0.00 0.00 178.83 176.70 1x6f s SER 37 N -4.64 0.24 0.22 -0.69 0.15 -1.26 -4.17 113.70 103.56 1x6f s SER 37 Ca -0.16 -1.18 -0.12 0.00 0.70 0.00 0.00 55.95 55.19 1x6f s SER 37 Cb 0.06 0.76 0.29 0.00 -1.71 0.00 0.00 66.02 65.42 1x6f s SER 37 CO 0.63 -1.50 1.62 0.74 1.20 0.00 0.00 173.24 175.94 1x6f h THR 38 N 2.05 0.33 -1.14 6.45 2.02 -1.99 0.15 112.91 120.79 1x6f h THR 38 Ca -0.29 -0.01 0.41 0.00 0.77 0.00 0.00 66.41 67.29 1x6f h THR 38 Cb 1.25 0.31 -0.13 0.00 -1.74 0.00 0.00 68.15 67.84 1x6f h THR 38 CO 0.38 0.00 0.71 0.00 0.37 0.00 0.00 175.52 176.98 1x6f n ALA 39 N -3.09 1.14 0.11 6.16 0.00 -1.26 0.19 120.51 123.76 1x6f n ALA 39 Ca 0.09 0.80 -0.23 0.00 0.00 0.00 0.00 53.44 54.11 1x6f n ALA 39 Cb 0.37 -0.93 -0.15 0.00 0.00 0.00 0.00 19.45 18.73 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 0.44 -0.63 0.00 3.07 -1.12 -3.34 114.58 112.99 1x6f h GLU 40 Ca 0.77 -0.75 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1x6f h GLU 40 Cb 2.39 0.28 -0.03 0.00 -0.84 0.00 0.00 28.75 30.55 1x6f h GLU 40 CO -0.48 1.35 0.34 1.25 -1.40 0.00 0.00 179.01 180.07 1x6f h LEU 41 N 0.12 0.80 -1.91 1.33 5.85 0.23 0.17 115.31 121.89 1x6f h LEU 41 Ca -0.28 -0.10 0.26 0.00 0.84 0.00 0.00 57.88 58.60 1x6f h LEU 41 Cb 2.12 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.90 1x6f h LEU 41 CO 0.22 0.67 0.64 0.74 -0.34 0.00 0.00 178.44 180.38 1x6f h THR 42 N 0.86 0.56 0.06 1.05 2.02 -0.71 0.25 112.91 117.00 1x6f h THR 42 Ca 0.22 -0.02 -0.37 0.00 0.77 0.00 0.00 66.41 67.01 1x6f h THR 42 Cb 0.06 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 1x6f h THR 42 CO -0.03 0.01 -2.16 -0.24 0.37 0.00 0.00 175.52 173.47 1x6f n SER 43 N -4.31 2.05 -0.01 4.18 2.88 -0.82 -4.07 113.62 113.52 1x6f n SER 43 Ca 0.19 0.10 -0.10 0.00 -1.33 0.00 0.00 58.87 57.73 1x6f n SER 43 Cb 0.93 -0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 63.65 1x6f n SER 43 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1x6f h HIS 44 N -0.09 0.01 -0.75 0.66 6.17 0.28 -2.54 115.15 118.88 1x6f h HIS 44 Ca -0.49 0.01 0.13 0.00 0.71 0.00 0.00 60.37 60.72 1x6f h HIS 44 Cb 1.91 0.01 -0.09 0.00 2.52 0.00 0.00 27.41 31.76 1x6f h HIS 44 CO 0.05 -0.00 0.33 -0.07 0.71 0.00 0.00 177.93 178.95 1x6f h LEU 45 N 0.05 0.35 -1.22 0.26 3.38 -0.76 0.02 115.31 117.39 1x6f h LEU 45 Ca 0.05 0.09 0.26 0.00 0.09 0.00 0.00 57.88 58.38 1x6f h LEU 45 Cb 0.05 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.75 1x6f h LEU 45 CO -0.08 0.16 0.64 0.78 0.09 0.00 0.00 178.44 180.03 1x6f h ASN 46 N 0.50 0.54 -0.72 -0.43 -0.26 -1.60 0.47 115.58 114.08 1x6f h ASN 46 Ca 0.40 0.10 0.20 0.00 -0.56 0.00 0.00 56.30 56.45 1x6f h ASN 46 Cb 0.56 0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.81 1x6f h ASN 46 CO -0.36 0.09 0.51 0.40 -1.06 0.00 0.00 177.43 177.01 1x6f h ILE 47 N 0.46 0.66 0.00 2.81 2.04 -0.97 -1.31 117.51 121.21 1x6f h ILE 47 Ca 0.62 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.45 1x6f h ILE 47 Cb 1.41 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1x6f h ILE 47 CO -0.37 0.01 -0.11 0.45 0.00 0.00 0.00 178.15 178.13 1x6f h HIS 48 N 0.05 0.00 -0.56 1.37 3.86 -0.18 -3.24 115.15 116.46 1x6f h HIS 48 Ca 0.34 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.65 1x6f h HIS 48 Cb 1.30 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.66 1x6f h HIS 48 CO -0.00 0.50 -0.34 -0.91 0.86 0.00 0.00 177.93 178.04 1x6f h ASN 49 N -1.00 -1.17 -0.97 2.45 2.35 -1.20 0.32 115.58 116.37 1x6f h ASN 49 Ca -0.02 0.22 0.17 0.00 -0.55 0.00 0.00 56.30 56.12 1x6f h ASN 49 Cb 0.52 0.57 -0.09 0.00 0.05 0.00 0.00 38.32 39.37 1x6f h ASN 49 CO -0.01 -0.31 0.61 1.05 -1.65 0.00 0.00 177.43 177.12 1x6f h GLU 50 N -0.18 0.71 -0.37 0.81 -0.00 -1.42 -0.68 114.58 113.45 1x6f h GLU 50 Ca 0.22 -0.04 -0.09 0.00 -0.00 0.00 0.00 59.36 59.44 1x6f h GLU 50 Cb 0.55 -0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 29.13 1x6f h GLU 50 CO -0.66 0.47 -0.14 0.93 -0.00 0.00 0.00 179.01 179.62 1x6f h GLU 51 N 0.73 0.74 -0.75 1.06 5.08 -0.49 -3.05 114.58 117.90 1x6f h GLU 51 Ca 0.52 -0.31 0.15 0.00 -1.00 0.00 0.00 59.36 58.72 1x6f h GLU 51 Cb 0.84 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.92 1x6f h GLU 51 CO -0.29 0.91 -0.21 0.35 -1.00 0.00 0.00 179.01 178.78 1x6f h PHE 52 N 0.54 -0.46 -0.29 4.33 3.04 0.63 0.16 116.94 124.88 1x6f h PHE 52 Ca 0.09 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 1x6f h PHE 52 Cb 0.67 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.48 1x6f h PHE 52 CO 0.05 -0.33 0.14 1.96 -2.02 0.00 0.00 178.31 178.11 1x6f h GLN 53 N -0.01 0.41 0.26 1.11 1.08 -1.51 -1.19 115.11 115.26 1x6f h GLN 53 Ca 0.35 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.49 1x6f h GLN 53 Cb 0.56 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1x6f h GLN 53 CO -0.78 0.38 -0.20 -0.22 -0.95 0.00 0.00 178.83 177.06 1x6f h LYS 54 N 0.33 -0.43 -0.18 1.46 3.11 -0.78 -3.19 116.57 116.89 1x6f h LYS 54 Ca 0.10 0.03 0.04 0.00 -2.81 0.00 0.00 60.65 58.01 1x6f h LYS 54 Cb 0.11 0.10 -0.07 0.00 -1.00 0.00 0.00 32.23 31.36 1x6f h LYS 54 CO -0.01 -0.29 -0.51 0.00 -2.81 0.00 0.00 179.45 175.83 1x6f h ARG 55 N -0.44 -0.51 -6.68 1.90 3.08 -0.86 -3.45 114.38 107.42 1x6f h ARG 55 Ca -0.03 0.03 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1x6f h ARG 55 Cb 0.37 0.12 -0.18 0.00 0.08 0.00 0.00 29.97 30.36 1x6f h ARG 55 CO 0.01 -0.34 -0.83 0.00 -1.07 0.00 0.00 179.97 177.74 1x6f n ALA 56 N -3.01 -1.30 -0.08 0.04 0.00 -0.45 -4.83 120.51 110.89 1x6f n ALA 56 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 1x6f n ALA 56 Cb 0.37 -3.51 -0.07 0.00 0.00 0.00 0.00 19.45 16.24 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 -4.42 0.39 -0.92 0.00 3.00 -1.26 -5.04 118.16 109.91 1x6f n LYS 57 Ca 0.05 0.09 -0.29 0.00 -0.00 0.00 0.00 58.31 58.15 1x6f n LYS 57 Cb 0.51 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.24 1x6f n LYS 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1x6f n ARG 58 N -2.94 0.00 -0.64 1.64 0.63 -1.26 -4.71 116.66 109.38 1x6f n ARG 58 Ca -0.27 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.61 1x6f n ARG 58 Cb 0.78 -0.72 0.00 0.00 0.45 0.00 0.00 32.46 32.98 1x6f n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x6f n GLN 59 N 1.01 1.27 -3.86 -0.14 10.64 -1.26 -4.80 117.38 120.24 1x6f n GLN 59 Ca 0.07 -0.49 -0.26 0.00 -1.83 0.00 0.00 57.00 54.49 1x6f n GLN 59 Cb 0.31 -1.22 -0.05 0.00 -0.86 0.00 0.00 30.24 28.42 1x6f n GLN 59 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1x6f n GLU 60 N 1.22 -0.80 -4.67 2.61 1.02 -1.26 -4.89 120.64 113.86 1x6f n GLU 60 Ca 0.10 0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.93 1x6f n GLU 60 Cb 0.54 -2.25 -0.16 0.00 -0.02 0.00 0.00 31.44 29.54 1x6f n GLU 60 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1x6f s ARG 61 N -6.35 3.12 -0.63 3.49 3.52 -1.26 -5.08 118.95 115.76 1x6f s ARG 61 Ca 0.10 -0.81 -0.22 0.00 -0.13 0.00 0.00 55.73 54.68 1x6f s ARG 61 Cb -0.06 -2.51 0.07 0.00 -1.56 0.00 0.00 34.95 30.89 1x6f s ARG 61 CO 0.71 0.03 0.92 1.03 -0.81 0.00 0.00 175.30 177.18 1x6f s ARG 62 N 0.75 3.13 0.04 5.12 1.81 -1.26 -4.89 118.95 123.65 1x6f s ARG 62 Ca -0.08 -0.81 -0.19 0.00 -1.72 0.00 0.00 55.73 52.93 1x6f s ARG 62 Cb -0.16 -4.20 -0.15 0.00 -0.45 0.00 0.00 34.95 29.99 1x6f s ARG 62 CO 0.00 -1.71 1.30 -0.22 -0.68 0.00 0.00 175.30 174.00 1x6f h LYS 63 N 9.46 0.42 -6.90 3.54 1.63 -2.02 -3.44 116.57 119.26 1x6f h LYS 63 Ca -0.28 -0.26 -0.47 0.00 -0.85 0.00 0.00 60.65 58.79 1x6f h LYS 63 Cb 1.07 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 1x6f h LYS 63 CO 1.15 0.85 0.22 -1.14 -3.45 0.00 0.00 179.45 177.08 1x6f s GLN 64 N -4.09 4.13 0.09 1.90 0.74 -1.26 -5.08 119.66 116.09 1x6f s GLN 64 Ca -0.14 0.91 0.05 0.00 0.05 0.00 0.00 55.36 56.23 1x6f s GLN 64 Cb 0.05 -2.32 -0.04 0.00 1.10 0.00 0.00 33.01 31.81 1x6f s GLN 64 CO 0.78 0.07 0.01 -0.48 -0.55 0.00 0.00 175.29 175.11 1x6f s LEU 65 N -3.05 3.50 -0.10 3.68 2.34 -1.26 -5.11 118.68 118.67 1x6f s LEU 65 Ca 0.58 -0.16 -0.03 0.00 0.06 0.00 0.00 54.13 54.58 1x6f s LEU 65 Cb -0.10 -2.23 0.05 0.00 -0.56 0.00 0.00 46.19 43.35 1x6f s LEU 65 CO 0.15 0.18 0.09 -0.76 -1.06 0.00 0.00 176.35 174.95 1x6f s LEU 66 N -2.31 0.19 -0.06 1.48 1.43 -1.26 -5.14 118.68 113.01 1x6f s LEU 66 Ca 0.26 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1x6f s LEU 66 Cb -0.12 -0.12 -0.00 0.00 0.03 0.00 0.00 46.19 45.98 1x6f s LEU 66 CO 0.19 -0.29 -0.21 -0.55 0.23 0.00 0.00 176.35 175.71 1x6f s SER 67 N 2.18 2.66 -0.29 2.29 0.15 -1.26 -5.12 113.70 114.31 1x6f s SER 67 Ca 0.04 -0.45 -0.21 0.00 0.70 0.00 0.00 55.95 56.03 1x6f s SER 67 Cb -0.14 -0.89 0.14 0.00 -1.71 0.00 0.00 66.02 63.42 1x6f s SER 67 CO -0.06 0.18 1.06 -1.59 1.20 0.00 0.00 173.24 174.02 1x6f s LYS 68 N 0.10 0.38 -0.29 5.44 -2.85 -1.26 -5.17 119.74 116.08 1x6f s LYS 68 Ca -0.08 0.55 -0.20 0.00 -1.00 0.00 0.00 55.97 55.24 1x6f s LYS 68 Cb -0.14 0.14 0.18 0.00 -2.06 0.00 0.00 37.83 35.94 1x6f s LYS 68 CO 0.04 -0.06 1.20 1.14 0.10 0.00 0.00 175.35 177.77 1x6f s GLN 69 N 0.74 0.20 -0.29 1.78 0.00 -1.26 -5.17 119.66 115.65 1x6f s GLN 69 Ca -0.02 0.30 -0.16 0.00 -0.00 0.00 0.00 55.36 55.47 1x6f s GLN 69 Cb -0.04 0.06 0.18 0.00 0.00 0.00 0.00 33.01 33.21 1x6f s GLN 69 CO -0.11 -0.03 1.14 0.21 0.00 0.00 0.00 175.29 176.49 1x6f s LYS 70 N 0.75 0.19 -0.24 9.60 2.47 -1.26 -5.17 119.74 126.08 1x6f s LYS 70 Ca -0.03 0.32 -0.11 0.00 -1.56 0.00 0.00 55.97 54.60 1x6f s LYS 70 Cb -0.04 0.04 0.09 0.00 -1.46 0.00 0.00 37.83 36.46 1x6f s LYS 70 CO -0.12 -0.04 0.55 1.52 0.16 0.00 0.00 175.35 177.42 1x6f s TYR 71 N 1.17 -0.97 -0.14 4.03 1.13 -1.26 -5.16 117.35 116.15 1x6f s TYR 71 Ca -0.08 1.85 -0.34 0.00 -1.41 0.00 0.00 57.07 57.09 1x6f s TYR 71 Cb -0.03 0.52 0.13 0.00 -1.10 0.00 0.00 41.96 41.48 1x6f s TYR 71 CO -0.12 -0.51 1.17 0.00 -2.51 0.00 0.00 175.55 173.58 1x6f s ALA 72 N 2.18 -2.05 -0.21 9.51 0.00 -1.26 -5.19 121.76 124.74 1x6f s ALA 72 Ca -0.07 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.99 1x6f s ALA 72 Cb -0.09 0.03 0.13 0.00 0.00 0.00 0.00 23.12 23.18 1x6f s ALA 72 CO -0.16 -0.68 1.01 0.34 0.00 0.00 0.00 175.76 176.27 1x6f s ASP 73 N -2.34 -0.40 0.00 0.00 -1.08 -1.26 -5.15 116.67 106.44 1x6f s ASP 73 Ca 0.10 0.60 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 1x6f s ASP 73 Cb -0.00 0.54 0.00 0.00 -1.46 0.00 0.00 42.92 42.00 1x6f s ASP 73 CO -0.05 -0.26 0.00 0.61 0.52 0.00 0.00 175.17 175.99 1x6f n GLY 74 N 1.37 -0.70 0.82 2.66 0.00 -1.26 -5.10 105.19 102.99 1x6f n GLY 74 Ca -0.11 0.84 -0.01 0.00 0.00 0.00 0.00 46.02 46.73 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 2.49 -3.52 4.61 0.00 -1.26 -5.12 120.51 117.71 1x6f n ALA 75 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1x6f n ALA 75 Cb 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.88 -0.66 0.15 0.00 0.08 -1.26 -5.08 117.98 109.33 1x6f s PHE 76 Ca -0.05 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.33 1x6f s PHE 76 Cb 0.01 0.33 0.00 0.00 -0.57 0.00 0.00 43.02 42.78 1x6f s PHE 76 CO 0.07 -0.50 0.00 0.00 -0.10 0.00 0.00 175.22 174.69 1x6f n ALA 77 N 1.61 3.00 -3.68 5.36 0.00 -1.26 -5.16 120.51 120.38 1x6f n ALA 77 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.28 1x6f n ALA 77 Cb 0.56 0.16 -0.00 0.00 0.00 0.00 0.00 19.45 20.17 1x6f n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6f s ASP 78 N -5.39 -0.05 -0.11 0.00 1.01 -1.26 -5.19 116.67 105.68 1x6f s ASP 78 Ca 0.00 -0.18 -0.30 0.00 0.71 0.00 0.00 52.55 52.79 1x6f s ASP 78 Cb 0.00 0.19 0.08 0.00 1.01 0.00 0.00 42.92 44.19 1x6f s ASP 78 CO 0.00 -0.35 0.72 0.72 0.21 0.00 0.00 175.17 176.47 1x6f s PHE 79 N -2.42 -0.66 0.15 4.23 -0.71 -1.26 -5.18 117.98 112.14 1x6f s PHE 79 Ca 0.16 1.27 0.11 0.00 -1.04 0.00 0.00 56.93 57.43 1x6f s PHE 79 Cb 0.04 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1x6f s PHE 79 CO -0.03 -0.53 -0.25 0.21 -1.34 0.00 0.00 175.22 173.28 1x6f s LYS 80 N -0.81 1.49 0.29 1.99 2.47 -1.26 -5.15 119.74 118.75 1x6f s LYS 80 Ca -0.08 -1.39 0.04 0.00 -1.56 0.00 0.00 55.97 52.99 1x6f s LYS 80 Cb -0.01 -1.91 -0.03 0.00 -1.46 0.00 0.00 37.83 34.42 1x6f s LYS 80 CO 0.07 0.44 0.22 -0.65 0.16 0.00 0.00 175.35 175.59 1x6f s GLN 81 N -2.28 1.57 0.30 4.03 1.11 -1.26 -5.17 119.66 117.96 1x6f s GLN 81 Ca 0.17 -1.89 -0.01 0.00 0.01 0.00 0.00 55.36 53.64 1x6f s GLN 81 Cb -0.09 0.27 -0.04 0.00 -1.01 0.00 0.00 33.01 32.14 1x6f s GLN 81 CO 0.08 -0.55 0.51 -1.21 0.01 0.00 0.00 175.29 174.13 1x6f s GLU 82 N -3.70 3.53 0.26 2.91 8.01 -1.26 -5.11 118.70 123.33 1x6f s GLU 82 Ca 0.40 -0.26 0.08 0.00 0.01 0.00 0.00 54.97 55.20 1x6f s GLU 82 Cb 0.04 -2.70 -0.04 0.00 -4.31 0.00 0.00 34.13 27.12 1x6f s GLU 82 CO 0.22 0.22 0.08 -1.54 0.01 0.00 0.00 175.26 174.25 1x6f s SER 83 N -3.64 4.96 0.05 -0.19 1.04 -1.26 -5.14 113.70 109.52 1x6f s SER 83 Ca 0.40 -0.48 -0.11 0.00 0.48 0.00 0.00 55.95 56.25 1x6f s SER 83 Cb -0.10 -1.08 0.01 0.00 0.10 0.00 0.00 66.02 64.95 1x6f s SER 83 CO 0.33 -0.02 0.23 -0.83 0.98 0.00 0.00 173.24 173.93 1x6f s GLY 84 N -3.75 -0.01 -0.28 7.32 0.00 -1.26 -5.12 107.32 104.22 1x6f s GLY 84 Ca 0.32 -0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.53 1x6f s GLY 84 CO 0.22 -0.41 1.65 2.56 0.00 0.00 0.00 173.10 177.11 1x6f s PRO 85 N -2.72 3.63 -0.59 2.90 0.04 -1.26 -4.96 135.00 132.04 1x6f s PRO 85 Ca -0.04 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.55 1x6f s PRO 85 Cb -0.00 -4.08 0.15 0.00 0.04 0.00 0.00 34.50 30.60 1x6f s PRO 85 CO -0.05 -1.50 0.37 -1.12 0.04 0.00 0.00 177.00 174.74 1x6f s SER 86 N 4.76 4.38 0.18 6.66 0.01 -1.26 -5.06 113.70 123.37 1x6f s SER 86 Ca 0.73 -3.36 -0.17 0.00 1.31 0.00 0.00 55.95 54.45 1x6f s SER 86 Cb -0.23 -1.54 0.03 0.00 0.21 0.00 0.00 66.02 64.49 1x6f s SER 86 CO 0.31 -0.17 0.50 -0.55 0.41 0.00 0.00 173.24 173.74 1x6f s SER 87 N -0.75 -0.26 0.00 2.44 0.15 -1.26 -5.35 113.70 108.67 1x6f s SER 87 Ca 0.21 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1x6f s SER 87 Cb -0.15 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1x6f s SER 87 CO -0.08 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 173.95