#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 5.87 -0.18 1.61 0.15 -1.26 -4.93 113.70 114.96 1x6f s SER 2 Ca 0.00 1.88 -0.28 0.00 0.70 0.00 0.00 55.95 58.25 1x6f s SER 2 Cb 0.00 -2.52 0.10 0.00 -1.71 0.00 0.00 66.02 61.89 1x6f s SER 2 CO 0.00 -1.64 0.87 -0.55 1.20 0.00 0.00 173.24 173.12 1x6f s SER 3 N 6.52 -0.54 0.00 5.45 0.15 -1.26 -5.16 113.70 118.87 1x6f s SER 3 Ca 0.90 0.80 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1x6f s SER 3 Cb -0.31 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1x6f s SER 3 CO 0.35 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1x6f n GLY 4 N 1.51 2.03 3.12 9.45 0.00 -1.26 -5.00 105.19 115.04 1x6f n GLY 4 Ca -0.14 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.25 -4.70 1.61 2.88 -1.26 -5.01 113.62 102.89 1x6f n SER 5 Ca 0.00 -0.46 -0.32 0.00 -1.33 0.00 0.00 58.87 56.76 1x6f n SER 5 Cb 0.00 -4.21 -0.08 0.00 -0.75 0.00 0.00 64.21 59.17 1x6f n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6f s SER 6 N -3.57 5.17 0.18 -3.46 1.04 -1.26 -5.12 113.70 106.68 1x6f s SER 6 Ca 0.30 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1x6f s SER 6 Cb -0.13 -1.35 -0.00 0.00 0.10 0.00 0.00 66.02 64.64 1x6f s SER 6 CO 0.59 0.25 0.23 0.61 0.98 0.00 0.00 173.24 175.91 1x6f n GLY 7 N 1.18 2.80 2.94 7.32 0.00 -1.26 -5.17 105.19 113.00 1x6f n GLY 7 Ca -0.13 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 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 0.10 0.45 0.99 1.98 -1.26 -5.16 118.68 115.77 1x6f s LEU 8 Ca 0.17 0.44 0.08 0.00 -2.89 0.00 0.00 54.13 51.92 1x6f s LEU 8 Cb -0.00 0.49 0.00 0.00 0.66 0.00 0.00 46.19 47.35 1x6f s LEU 8 CO 0.12 -0.21 0.46 -0.54 -1.89 0.00 0.00 176.35 174.29 1x6f s LYS 9 N 1.93 2.54 -0.11 1.98 1.02 -1.26 -5.13 119.74 120.70 1x6f s LYS 9 Ca -0.02 -1.54 -0.04 0.00 0.02 0.00 0.00 55.97 54.38 1x6f s LYS 9 Cb -0.12 -2.45 0.06 0.00 -0.52 0.00 0.00 37.83 34.80 1x6f s LYS 9 CO -0.07 -0.32 0.23 0.50 -0.92 0.00 0.00 175.35 174.76 1x6f s ARG 10 N -4.24 0.11 -0.37 1.68 3.52 -1.26 -5.12 118.95 113.26 1x6f s ARG 10 Ca 0.49 0.68 -0.05 0.00 -0.13 0.00 0.00 55.73 56.72 1x6f s ARG 10 Cb -0.05 -0.12 0.08 0.00 -1.56 0.00 0.00 34.95 33.30 1x6f s ARG 10 CO 0.29 -0.29 0.15 -0.51 -0.81 0.00 0.00 175.30 174.14 1x6f s ASP 11 N 2.34 5.28 -0.25 -2.12 1.01 -1.26 -5.04 116.67 116.64 1x6f s ASP 11 Ca 0.02 -1.57 -0.03 0.00 0.71 0.00 0.00 52.55 51.68 1x6f s ASP 11 Cb -0.12 -1.85 0.13 0.00 1.01 0.00 0.00 42.92 42.10 1x6f s ASP 11 CO -0.08 -0.44 0.38 -0.36 0.21 0.00 0.00 175.17 174.88 1x6f s PHE 12 N 1.28 -0.84 -0.05 4.23 0.40 -1.26 -4.99 117.98 116.76 1x6f s PHE 12 Ca 0.02 0.82 0.02 0.00 -0.60 0.00 0.00 56.93 57.20 1x6f s PHE 12 Cb -0.22 0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.31 1x6f s PHE 12 CO -0.01 -0.73 0.06 1.51 0.70 0.00 0.00 175.22 176.76 1x6f n ILE 13 N 5.36 0.00 -4.08 0.64 0.13 -1.26 -5.03 119.36 115.13 1x6f n ILE 13 Ca -0.03 -0.25 -0.34 0.00 -1.10 0.00 0.00 62.75 61.02 1x6f n ILE 13 Cb 0.50 0.73 -0.04 0.00 -0.84 0.00 0.00 39.64 39.99 1x6f n ILE 13 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 1x6f n ILE 14 N -1.30 -1.56 -2.68 9.51 -0.00 -1.26 -4.85 119.36 117.21 1x6f n ILE 14 Ca 0.00 -0.48 -0.41 0.00 -0.00 0.00 0.00 62.75 61.87 1x6f n ILE 14 Cb 0.04 -1.39 -0.05 0.00 -0.00 0.00 0.00 39.64 38.24 1x6f n ILE 14 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 1x6f s LEU 15 N -7.03 4.54 -0.30 1.39 0.05 -1.26 -5.01 118.68 111.06 1x6f s LEU 15 Ca 0.21 1.92 -0.08 0.00 0.05 0.00 0.00 54.13 56.23 1x6f s LEU 15 Cb -0.12 -3.60 0.19 0.00 -2.05 0.00 0.00 46.19 40.61 1x6f s LEU 15 CO 0.87 -0.04 0.96 -0.83 -0.55 0.00 0.00 176.35 176.76 1x6f s GLY 16 N -0.38 -0.99 0.23 -3.48 0.00 -1.26 -5.17 107.32 96.26 1x6f s GLY 16 Ca 0.46 1.91 0.04 0.00 0.00 0.00 0.00 44.72 47.13 1x6f s GLY 16 CO 0.32 4.03 0.36 -1.31 0.00 0.00 0.00 173.10 176.49 1x6f s ASN 17 N 2.93 6.32 0.15 1.64 0.01 -1.26 -5.12 114.94 119.62 1x6f s ASN 17 Ca 0.24 0.10 -0.25 0.00 -0.71 0.00 0.00 52.86 52.25 1x6f s ASN 17 Cb -0.03 -1.88 0.06 0.00 0.41 0.00 0.00 41.25 39.81 1x6f s ASN 17 CO -0.23 -0.06 0.95 -0.83 -1.51 0.00 0.00 177.10 175.41 1x6f s GLY 18 N -3.86 -0.24 0.59 0.66 0.00 -1.26 -5.16 107.32 98.05 1x6f s GLY 18 Ca 0.34 0.16 -0.17 0.00 0.00 0.00 0.00 44.72 45.05 1x6f s GLY 18 CO 0.29 0.02 1.12 2.56 0.00 0.00 0.00 173.10 177.09 1x6f s PRO 19 N -3.30 3.11 -0.24 2.90 0.04 -1.26 -5.04 135.00 131.21 1x6f s PRO 19 Ca 0.12 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1x6f s PRO 19 Cb -0.01 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.60 1x6f s PRO 19 CO 0.02 -1.03 -0.10 0.50 0.04 0.00 0.00 177.00 176.43 1x6f s ARG 20 N -3.65 2.09 -1.43 4.56 3.52 -1.26 -4.74 118.95 118.04 1x6f s ARG 20 Ca 0.70 -1.18 -0.10 0.00 -0.13 0.00 0.00 55.73 55.02 1x6f s ARG 20 Cb -0.22 -2.75 0.05 0.00 -1.56 0.00 0.00 34.95 30.46 1x6f s ARG 20 CO 0.33 -0.55 1.02 1.28 -0.81 0.00 0.00 175.30 176.58 1x6f n LEU 21 N 4.53 -2.99 -0.33 -0.88 4.32 -1.26 -4.84 117.00 115.55 1x6f n LEU 21 Ca -0.14 -0.69 0.23 0.00 -0.02 0.00 0.00 56.01 55.39 1x6f n LEU 21 Cb 0.43 -2.77 0.46 0.00 -1.62 0.00 0.00 43.42 39.92 1x6f n LEU 21 CO 0.20 0.52 1.06 0.06 -1.22 0.00 0.00 177.39 178.02 1x6f h GLN 22 N -2.27 0.23 -4.97 3.23 -0.00 -2.01 -3.41 115.11 105.92 1x6f h GLN 22 Ca -0.58 -0.01 -0.31 0.00 -0.00 0.00 0.00 58.65 57.74 1x6f h GLN 22 Cb 1.37 -0.05 -0.17 0.00 -0.00 0.00 0.00 27.48 28.63 1x6f h GLN 22 CO 0.61 0.15 -0.73 -0.80 -0.00 0.00 0.00 178.83 178.07 1x6f s ASN 23 N -4.87 1.50 0.18 0.06 0.01 -1.26 -5.12 114.94 105.44 1x6f s ASN 23 Ca -0.10 -0.86 -0.31 0.00 -0.71 0.00 0.00 52.86 50.88 1x6f s ASN 23 Cb 0.30 0.01 -0.09 0.00 0.41 0.00 0.00 41.25 41.88 1x6f s ASN 23 CO 0.78 -0.29 1.40 -0.94 -1.51 0.00 0.00 177.10 176.55 1x6f s SER 24 N -2.61 6.77 -0.08 -1.22 1.04 -1.26 -5.02 113.70 111.31 1x6f s SER 24 Ca 0.08 2.48 0.05 0.00 0.48 0.00 0.00 55.95 59.04 1x6f s SER 24 Cb -0.01 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 1x6f s SER 24 CO -0.00 -0.65 -0.24 0.42 0.98 0.00 0.00 173.24 173.74 1x6f s THR 25 N 0.51 2.05 -0.36 2.02 -4.23 -1.26 -4.63 115.64 109.75 1x6f s THR 25 Ca 0.62 -1.04 -0.22 0.00 -1.18 0.00 0.00 61.69 59.87 1x6f s THR 25 Cb -0.39 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 71.70 1x6f s THR 25 CO 0.36 0.56 0.73 -0.31 -0.54 0.00 0.00 174.62 175.42 1x6f s TYR 26 N 0.13 3.13 -0.59 3.99 1.51 0.80 -4.89 117.35 121.44 1x6f s TYR 26 Ca -0.13 0.49 -0.24 0.00 -1.01 0.00 0.00 57.07 56.18 1x6f s TYR 26 Cb -0.16 -3.29 0.05 0.00 -0.11 0.00 0.00 41.96 38.44 1x6f s TYR 26 CO 0.07 -0.68 0.99 -1.14 -1.11 0.00 0.00 175.55 173.67 1x6f s GLN 27 N 2.94 3.29 -0.36 -0.62 -0.44 -1.26 -1.03 119.66 122.18 1x6f s GLN 27 Ca 0.29 -0.34 -0.28 0.00 -2.50 0.00 0.00 55.36 52.53 1x6f s GLN 27 Cb -0.14 -4.09 -0.02 0.00 -1.64 0.00 0.00 33.01 27.12 1x6f s GLN 27 CO 0.16 -1.61 1.85 0.00 0.50 0.00 0.00 175.29 176.19 1x6f n LYS 29 N 8.54 0.97 -0.13 0.00 -0.00 -1.26 0.09 118.16 126.37 1x6f n LYS 29 Ca 0.23 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.33 1x6f n LYS 29 Cb 0.47 -1.14 -0.11 0.00 -0.00 0.00 0.00 35.03 34.26 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 -0.35 0.00 -0.35 5.58 8.25 -1.26 -4.69 115.22 122.39 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 0.07 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.21 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 -0.15 -4.96 -3.34 0.00 8.00 0.11 -5.02 116.55 111.19 1x6f n ASP 32 Ca 0.00 -0.44 -0.10 0.00 0.71 0.00 0.00 54.79 54.96 1x6f n ASP 32 Cb 0.21 -4.11 0.02 0.00 -0.02 0.00 0.00 41.12 37.21 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 -2.18 1.25 -3.89 -2.24 2.88 -1.13 -4.87 113.62 103.44 1x6f n SER 33 Ca -0.03 -1.76 -0.18 0.00 -1.33 0.00 0.00 58.87 55.56 1x6f n SER 33 Cb 0.56 -0.14 -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 -3.15 0.64 0.19 -1.46 1.02 -1.26 -1.37 119.74 114.34 1x6f s LYS 34 Ca 0.23 -0.08 0.08 0.00 0.02 0.00 0.00 55.97 56.22 1x6f s LYS 34 Cb -0.02 -0.68 -0.04 0.00 -0.52 0.00 0.00 37.83 36.57 1x6f s LYS 34 CO 0.15 -0.05 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.86 1x6f s LEU 35 N 0.73 2.52 0.03 3.17 1.02 -0.20 -4.94 118.68 121.01 1x6f s LEU 35 Ca -0.09 -0.96 -0.26 0.00 0.02 0.00 0.00 54.13 52.84 1x6f s LEU 35 Cb -0.12 -0.73 -0.17 0.00 0.02 0.00 0.00 46.19 45.19 1x6f s LEU 35 CO -0.00 -0.12 1.40 1.56 0.02 0.00 0.00 176.35 179.21 1x6f h GLN 36 N 2.80 -0.31 -2.85 1.70 4.20 -1.88 0.23 115.11 119.00 1x6f h GLN 36 Ca -0.39 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.40 1x6f h GLN 36 Cb 1.22 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.04 1x6f h GLN 36 CO 0.58 -0.04 0.33 -1.12 -0.67 0.00 0.00 178.83 177.91 1x6f s SER 37 N -5.11 -0.12 0.26 1.46 0.01 -1.26 -4.29 113.70 104.65 1x6f s SER 37 Ca -0.15 -0.79 -0.10 0.00 1.31 0.00 0.00 55.95 56.22 1x6f s SER 37 Cb 0.03 0.71 0.39 0.00 0.21 0.00 0.00 66.02 67.37 1x6f s SER 37 CO 0.60 -1.37 1.57 0.74 0.41 0.00 0.00 173.24 175.19 1x6f h THR 38 N 2.00 0.07 -1.03 1.44 2.02 -1.98 0.49 112.91 115.92 1x6f h THR 38 Ca -0.26 0.00 0.39 0.00 0.77 0.00 0.00 66.41 67.32 1x6f h THR 38 Cb 1.24 0.07 -0.14 0.00 -1.74 0.00 0.00 68.15 67.58 1x6f h THR 38 CO 0.31 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.82 1x6f n ALA 39 N -3.50 1.04 0.10 6.16 0.00 -1.26 0.15 120.51 123.20 1x6f n ALA 39 Ca 0.14 0.84 -0.24 0.00 0.00 0.00 0.00 53.44 54.18 1x6f n ALA 39 Cb 0.46 -0.91 -0.15 0.00 0.00 0.00 0.00 19.45 18.84 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 0.45 0.04 0.00 5.08 -0.43 -3.36 114.58 116.36 1x6f h GLU 40 Ca 0.76 -0.77 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1x6f h GLU 40 Cb 2.22 0.29 -0.00 0.00 0.50 0.00 0.00 28.75 31.75 1x6f h GLU 40 CO -0.55 1.37 -0.03 1.25 -1.00 0.00 0.00 179.01 180.04 1x6f h LEU 41 N 0.12 -0.09 -1.26 1.33 5.85 0.18 0.19 115.31 121.63 1x6f h LEU 41 Ca -0.32 0.01 0.35 0.00 0.84 0.00 0.00 57.88 58.76 1x6f h LEU 41 Cb 2.12 0.03 -0.13 0.00 0.37 0.00 0.00 40.66 43.06 1x6f h LEU 41 CO 0.21 -0.05 0.70 0.74 -0.34 0.00 0.00 178.44 179.70 1x6f h THR 42 N -0.08 0.29 0.08 1.05 2.02 -0.65 0.48 112.91 116.09 1x6f h THR 42 Ca -0.00 -0.08 -0.23 0.00 0.77 0.00 0.00 66.41 66.87 1x6f h THR 42 Cb 0.07 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1x6f h THR 42 CO -0.00 0.04 -1.17 -1.28 0.37 0.00 0.00 175.52 173.48 1x6f h SER 43 N 0.24 0.27 0.72 4.18 0.87 -1.57 -3.32 113.55 114.95 1x6f h SER 43 Ca 0.73 -0.82 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 1x6f h SER 43 Cb 1.99 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.85 1x6f h SER 43 CO -0.45 1.51 -0.45 -0.74 -0.53 0.00 0.00 176.83 176.16 1x6f h HIS 44 N -0.51 -1.21 -0.94 2.24 6.17 0.12 -2.89 115.15 118.13 1x6f h HIS 44 Ca -0.26 -0.01 0.20 0.00 0.71 0.00 0.00 60.37 61.01 1x6f h HIS 44 Cb 1.58 0.43 -0.18 0.00 2.52 0.00 0.00 27.41 31.76 1x6f h HIS 44 CO 0.14 -0.67 -0.19 -0.07 0.71 0.00 0.00 177.93 177.86 1x6f h LEU 45 N -1.10 -0.80 -0.97 0.26 3.38 -0.34 0.41 115.31 116.15 1x6f h LEU 45 Ca -0.10 0.28 0.28 0.00 0.09 0.00 0.00 57.88 58.43 1x6f h LEU 45 Cb 0.88 0.56 -0.18 0.00 0.09 0.00 0.00 40.66 42.01 1x6f h LEU 45 CO 0.09 -0.31 0.08 0.78 0.09 0.00 0.00 178.44 179.17 1x6f h ASN 46 N 0.01 -0.38 -0.83 -0.43 2.35 -1.60 0.59 115.58 115.28 1x6f h ASN 46 Ca 0.47 0.27 0.21 0.00 -0.55 0.00 0.00 56.30 56.70 1x6f h ASN 46 Cb 0.77 0.45 -0.13 0.00 0.05 0.00 0.00 38.32 39.46 1x6f h ASN 46 CO -0.95 -0.34 0.18 0.40 -1.65 0.00 0.00 177.43 175.07 1x6f h ILE 47 N 0.02 0.37 0.60 2.81 2.04 -0.20 -1.13 117.51 122.01 1x6f h ILE 47 Ca 0.61 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 66.37 1x6f h ILE 47 Cb 1.28 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1x6f h ILE 47 CO -0.88 0.04 -0.29 0.45 0.00 0.00 0.00 178.15 177.47 1x6f h HIS 48 N 0.21 -0.74 -0.88 1.37 3.86 0.10 -1.96 115.15 117.11 1x6f h HIS 48 Ca 0.50 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.80 1x6f h HIS 48 Cb 0.95 0.25 -0.13 0.00 1.06 0.00 0.00 27.41 29.53 1x6f h HIS 48 CO -0.29 -0.46 -0.49 -0.91 0.86 0.00 0.00 177.93 176.65 1x6f h ASN 49 N -0.82 -1.76 -0.47 2.45 4.21 -1.09 0.42 115.58 118.53 1x6f h ASN 49 Ca -0.08 0.30 0.06 0.00 1.21 0.00 0.00 56.30 57.79 1x6f h ASN 49 Cb 0.62 0.82 -0.05 0.00 -1.12 0.00 0.00 38.32 38.59 1x6f h ASN 49 CO 0.13 -0.28 0.18 -0.33 -1.29 0.00 0.00 177.43 175.85 1x6f h GLU 50 N -0.07 0.36 -0.80 0.81 4.39 -1.38 -1.46 114.58 116.42 1x6f h GLU 50 Ca 0.22 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.94 1x6f h GLU 50 Cb 0.52 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 1x6f h GLU 50 CO -0.89 0.24 0.53 0.93 -1.16 0.00 0.00 179.01 178.66 1x6f h GLU 51 N 0.37 0.97 0.01 2.33 4.39 0.22 -0.73 114.58 122.13 1x6f h GLU 51 Ca 0.22 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1x6f h GLU 51 Cb 0.20 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1x6f h GLU 51 CO -0.21 0.64 -0.00 0.35 -1.16 0.00 0.00 179.01 178.63 1x6f h PHE 52 N 1.00 -0.01 0.06 4.33 3.57 0.71 0.16 116.94 126.76 1x6f h PHE 52 Ca 0.32 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 1x6f h PHE 52 Cb 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1x6f h PHE 52 CO -0.00 0.04 -0.03 1.96 -2.23 0.00 0.00 178.31 178.04 1x6f h GLN 53 N -0.05 -0.08 -0.73 1.11 4.20 -1.01 0.92 115.11 119.46 1x6f h GLN 53 Ca -0.00 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1x6f h GLN 53 Cb 0.05 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 1x6f h GLN 53 CO 0.00 0.10 0.43 0.87 -0.67 0.00 0.00 178.83 179.56 1x6f h LYS 54 N -0.26 0.78 0.62 1.46 1.79 -1.09 -3.10 116.57 116.77 1x6f h LYS 54 Ca -0.01 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1x6f h LYS 54 Cb 0.22 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1x6f h LYS 54 CO 0.01 0.52 -0.30 -0.09 -1.08 0.00 0.00 179.45 178.52 1x6f h ARG 55 N 0.80 -0.80 -7.09 3.15 9.65 -0.54 -3.46 114.38 116.10 1x6f h ARG 55 Ca 0.32 0.05 -0.61 0.00 -1.10 0.00 0.00 59.98 58.64 1x6f h ARG 55 Cb 0.14 0.18 -0.32 0.00 -1.39 0.00 0.00 29.97 28.59 1x6f h ARG 55 CO -0.16 -0.53 -0.91 0.00 2.80 0.00 0.00 179.97 181.17 1x6f n ALA 56 N -2.64 -1.39 -1.49 2.80 0.00 0.31 -4.80 120.51 113.28 1x6f n ALA 56 Ca -0.10 -0.22 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 1x6f n ALA 56 Cb 0.33 -2.34 0.07 0.00 0.00 0.00 0.00 19.45 17.51 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 -4.22 2.82 -1.65 0.00 3.00 -1.26 -5.02 118.16 111.83 1x6f n LYS 57 Ca 0.02 -3.44 -0.53 0.00 -0.00 0.00 0.00 58.31 54.36 1x6f n LYS 57 Cb 0.51 -2.29 -0.06 0.00 0.00 0.00 0.00 35.03 33.19 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 -0.85 1.33 -1.91 1.64 0.63 -1.26 -4.93 116.66 111.32 1x6f n ARG 58 Ca 0.59 0.48 -0.31 0.00 -0.92 0.00 0.00 57.85 57.70 1x6f n ARG 58 Cb 0.65 -2.17 0.01 0.00 0.45 0.00 0.00 32.46 31.40 1x6f n ARG 58 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1x6f s GLN 59 N 1.86 3.53 -1.01 -0.14 1.11 -1.26 -4.95 119.66 118.80 1x6f s GLN 59 Ca 0.89 0.84 -0.23 0.00 0.01 0.00 0.00 55.36 56.87 1x6f s GLN 59 Cb -0.94 -2.07 0.00 0.00 -1.01 0.00 0.00 33.01 28.99 1x6f s GLN 59 CO 0.53 -0.62 1.71 -2.00 0.01 0.00 0.00 175.29 174.91 1x6f s GLU 60 N -4.94 3.13 0.12 2.91 2.12 -1.26 -4.95 118.70 115.83 1x6f s GLU 60 Ca 0.56 -0.88 0.05 0.00 0.36 0.00 0.00 54.97 55.06 1x6f s GLU 60 Cb -0.12 -5.25 -0.04 0.00 0.26 0.00 0.00 34.13 28.98 1x6f s GLU 60 CO 0.50 -2.81 0.05 0.50 -0.54 0.00 0.00 175.26 172.96 1x6f s ARG 61 N 5.82 2.68 0.07 4.30 6.06 -1.26 -5.05 118.95 131.57 1x6f s ARG 61 Ca 0.58 -0.86 -0.36 0.00 -2.50 0.00 0.00 55.73 52.58 1x6f s ARG 61 Cb -0.02 -2.57 -0.19 0.00 0.06 0.00 0.00 34.95 32.23 1x6f s ARG 61 CO -0.03 0.52 0.97 0.54 -2.50 0.00 0.00 175.30 174.80 1x6f n ARG 62 N 0.19 0.21 -0.47 5.12 1.74 -1.26 -4.89 116.66 117.31 1x6f n ARG 62 Ca -0.09 0.08 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 1x6f n ARG 62 Cb 0.53 -1.47 0.26 0.00 -1.02 0.00 0.00 32.46 30.76 1x6f n ARG 62 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1x6f n LYS 63 N 1.48 -2.65 -3.50 5.56 2.85 -1.26 -4.97 118.16 115.66 1x6f n LYS 63 Ca 0.19 -0.75 -0.38 0.00 -1.05 0.00 0.00 58.31 56.32 1x6f n LYS 63 Cb 0.15 -2.09 -0.09 0.00 -0.65 0.00 0.00 35.03 32.34 1x6f n LYS 63 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1x6f s GLN 64 N -4.29 4.05 0.58 -1.58 -0.21 -1.26 -5.06 119.66 111.90 1x6f s GLN 64 Ca 0.67 -0.08 -0.20 0.00 0.02 0.00 0.00 55.36 55.77 1x6f s GLN 64 Cb -0.24 -3.60 -0.03 0.00 1.00 0.00 0.00 33.01 30.14 1x6f s GLN 64 CO 0.66 -0.11 1.34 -0.48 -2.12 0.00 0.00 175.29 174.58 1x6f s LEU 65 N 1.55 3.75 0.36 2.90 2.34 -1.26 -5.01 118.68 123.30 1x6f s LEU 65 Ca 0.12 2.72 -0.17 0.00 0.06 0.00 0.00 54.13 56.87 1x6f s LEU 65 Cb -0.15 -4.40 0.06 0.00 -0.56 0.00 0.00 46.19 41.14 1x6f s LEU 65 CO 0.08 -1.73 0.82 -1.48 -1.06 0.00 0.00 176.35 172.98 1x6f s LEU 66 N -3.83 -0.01 0.30 1.48 0.05 -1.26 -5.14 118.68 110.28 1x6f s LEU 66 Ca 0.76 -1.07 -0.17 0.00 0.05 0.00 0.00 54.13 53.70 1x6f s LEU 66 Cb -0.40 2.75 -0.12 0.00 -2.05 0.00 0.00 46.19 46.37 1x6f s LEU 66 CO 0.45 -1.59 0.09 -0.24 -0.55 0.00 0.00 176.35 174.51 1x6f n SER 67 N -1.35 -2.15 -4.75 1.48 2.88 -1.26 -4.81 113.62 103.66 1x6f n SER 67 Ca -0.08 0.65 -0.41 0.00 -1.33 0.00 0.00 58.87 57.71 1x6f n SER 67 Cb 0.60 -0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 63.33 1x6f n SER 67 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1x6f s LYS 68 N -0.78 4.43 -0.29 -1.46 -2.85 -1.26 -5.02 119.74 112.52 1x6f s LYS 68 Ca 0.47 2.02 -0.24 0.00 -1.00 0.00 0.00 55.97 57.22 1x6f s LYS 68 Cb -0.52 -3.18 0.14 0.00 -2.06 0.00 0.00 37.83 32.22 1x6f s LYS 68 CO 0.49 -0.15 1.11 -1.14 0.10 0.00 0.00 175.35 175.76 1x6f s GLN 69 N -0.67 0.40 0.01 1.78 0.74 -1.26 -5.18 119.66 115.48 1x6f s GLN 69 Ca 0.53 0.50 -0.26 0.00 0.05 0.00 0.00 55.36 56.18 1x6f s GLN 69 Cb -0.36 0.19 0.06 0.00 1.10 0.00 0.00 33.01 34.00 1x6f s GLN 69 CO 0.41 -0.05 0.59 -1.59 -0.55 0.00 0.00 175.29 174.10 1x6f s LYS 70 N 0.29 1.05 0.11 1.67 0.00 -1.26 -5.09 119.74 116.51 1x6f s LYS 70 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 55.97 55.98 1x6f s LYS 70 Cb -0.05 0.49 0.00 0.00 0.00 0.00 0.00 37.83 38.27 1x6f s LYS 70 CO -0.09 -0.36 0.00 0.66 0.00 0.00 0.00 175.35 175.56 1x6f n TYR 71 N 0.61 -0.30 -3.79 1.78 4.02 -1.26 -5.16 117.16 113.06 1x6f n TYR 71 Ca -0.19 0.05 0.01 0.00 -0.01 0.00 0.00 57.90 57.76 1x6f n TYR 71 Cb 0.59 0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 1x6f n TYR 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x6f s ALA 72 N -2.00 -2.17 0.19 -0.72 0.00 -1.26 -5.19 121.76 110.61 1x6f s ALA 72 Ca 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 1x6f s ALA 72 Cb 0.00 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1x6f s ALA 72 CO 0.00 -1.09 0.42 0.34 0.00 0.00 0.00 175.76 175.43 1x6f s ASP 73 N -3.32 -0.11 -0.03 0.00 -1.08 -1.26 -5.18 116.67 105.68 1x6f s ASP 73 Ca 0.20 -0.70 -0.31 0.00 -0.52 0.00 0.00 52.55 51.23 1x6f s ASP 73 Cb 0.01 0.52 0.12 0.00 -1.46 0.00 0.00 42.92 42.12 1x6f s ASP 73 CO -0.01 -1.00 1.29 -0.83 0.52 0.00 0.00 175.17 175.14 1x6f s GLY 74 N -2.93 -0.41 0.36 2.66 0.00 -1.26 -5.19 107.32 100.55 1x6f s GLY 74 Ca 0.14 0.76 -0.16 0.00 0.00 0.00 0.00 44.72 45.46 1x6f s GLY 74 CO -0.00 0.15 0.75 0.00 0.00 0.00 0.00 173.10 174.00 1x6f s ALA 75 N -2.40 -0.73 0.23 3.20 0.00 -1.26 -5.19 121.76 115.60 1x6f s ALA 75 Ca 0.14 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 51.17 1x6f s ALA 75 Cb 0.05 0.74 0.04 0.00 0.00 0.00 0.00 23.12 23.95 1x6f s ALA 75 CO -0.04 -0.98 0.66 0.12 0.00 0.00 0.00 175.76 175.52 1x6f s PHE 76 N -2.70 -0.35 -0.08 0.00 5.36 -1.26 -5.19 117.98 113.76 1x6f s PHE 76 Ca 0.16 0.00 -0.32 0.00 -0.96 0.00 0.00 56.93 55.81 1x6f s PHE 76 Cb -0.05 0.64 0.12 0.00 -0.34 0.00 0.00 43.02 43.39 1x6f s PHE 76 CO 0.11 -1.06 1.19 0.00 -1.46 0.00 0.00 175.22 173.99 1x6f s ALA 77 N -3.84 -2.07 -0.09 11.12 0.00 -1.26 -5.19 121.76 120.42 1x6f s ALA 77 Ca 0.06 1.11 -0.32 0.00 0.00 0.00 0.00 51.96 52.82 1x6f s ALA 77 Cb -0.04 0.16 0.12 0.00 0.00 0.00 0.00 23.12 23.36 1x6f s ALA 77 CO -0.02 -0.80 1.13 0.16 0.00 0.00 0.00 175.76 176.23 1x6f s ASP 78 N -2.55 -0.18 0.47 0.00 -4.77 -1.26 -5.19 116.67 103.20 1x6f s ASP 78 Ca 0.11 -0.05 0.02 0.00 -3.30 0.00 0.00 52.55 49.33 1x6f s ASP 78 Cb 0.01 0.23 -0.02 0.00 -1.09 0.00 0.00 42.92 42.05 1x6f s ASP 78 CO -0.04 -0.39 0.05 0.72 0.70 0.00 0.00 175.17 176.21 1x6f s PHE 79 N -2.65 1.86 -0.01 2.11 -0.71 -1.26 -5.10 117.98 112.21 1x6f s PHE 79 Ca 0.09 -1.07 -0.06 0.00 -1.04 0.00 0.00 56.93 54.85 1x6f s PHE 79 Cb -0.00 -1.45 -0.02 0.00 -1.21 0.00 0.00 43.02 40.34 1x6f s PHE 79 CO -0.05 0.05 -0.13 1.17 -1.34 0.00 0.00 175.22 174.92 1x6f n LYS 80 N -1.13 0.19 -3.88 1.99 0.00 -1.26 -5.15 118.16 108.92 1x6f n LYS 80 Ca -0.14 0.08 0.01 0.00 0.00 0.00 0.00 58.31 58.25 1x6f n LYS 80 Cb 0.66 -0.81 0.02 0.00 0.00 0.00 0.00 35.03 34.90 1x6f n LYS 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x6f n GLN 81 N -3.76 0.34 -4.08 1.64 10.64 -1.26 -5.19 117.38 115.71 1x6f n GLN 81 Ca -0.05 -1.00 -0.08 0.00 -1.83 0.00 0.00 57.00 54.04 1x6f n GLN 81 Cb 0.19 1.49 -0.10 0.00 -0.86 0.00 0.00 30.24 30.96 1x6f n GLN 81 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1x6f s GLU 82 N -2.03 0.58 0.22 2.61 2.12 -1.26 -5.17 118.70 115.77 1x6f s GLU 82 Ca 0.27 -1.07 -0.17 0.00 0.36 0.00 0.00 54.97 54.36 1x6f s GLU 82 Cb -0.01 0.08 0.02 0.00 0.26 0.00 0.00 34.13 34.47 1x6f s GLU 82 CO 0.02 -0.07 0.54 0.45 -0.54 0.00 0.00 175.26 175.66 1x6f s SER 83 N -2.53 -0.21 -0.27 -1.70 0.15 -1.26 -5.17 113.70 102.71 1x6f s SER 83 Ca 0.02 -0.61 -0.07 0.00 0.70 0.00 0.00 55.95 55.98 1x6f s SER 83 Cb 0.02 0.60 0.13 0.00 -1.71 0.00 0.00 66.02 65.07 1x6f s SER 83 CO -0.06 -1.12 0.57 -0.83 1.20 0.00 0.00 173.24 173.00 1x6f s GLY 84 N -2.92 -0.66 1.13 9.45 0.00 -1.26 -5.17 107.32 107.89 1x6f s GLY 84 Ca 0.13 1.98 -0.17 0.00 0.00 0.00 0.00 44.72 46.66 1x6f s GLY 84 CO 0.02 2.94 1.10 2.56 0.00 0.00 0.00 173.10 179.71 1x6f s PRO 85 N 2.80 -0.62 -0.00 2.90 0.04 -1.26 -5.09 135.00 133.77 1x6f s PRO 85 Ca 0.00 0.15 -0.23 0.00 0.04 0.00 0.00 61.00 60.96 1x6f s PRO 85 Cb -0.13 -1.65 0.05 0.00 0.04 0.00 0.00 34.50 32.82 1x6f s PRO 85 CO -0.18 -3.35 0.52 -1.12 0.04 0.00 0.00 177.00 172.91 1x6f s SER 86 N -3.72 -0.45 0.37 6.66 0.01 -1.26 -5.18 113.70 110.13 1x6f s SER 86 Ca 0.69 0.34 -0.12 0.00 1.31 0.00 0.00 55.95 58.16 1x6f s SER 86 Cb -0.13 0.46 0.04 0.00 0.21 0.00 0.00 66.02 66.60 1x6f s SER 86 CO 0.57 -0.62 0.69 -0.44 0.41 0.00 0.00 173.24 173.86 1x6f s SER 87 N -1.55 0.27 0.00 2.44 0.01 -1.26 -5.39 113.70 108.22 1x6f s SER 87 Ca -0.09 -1.23 0.10 0.00 1.31 0.00 0.00 55.95 56.04 1x6f s SER 87 Cb -0.01 0.79 0.08 0.00 0.21 0.00 0.00 66.02 67.09 1x6f s SER 87 CO 0.04 -1.57 0.83 0.61 0.41 0.00 0.00 173.24 173.56