#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 6.43 -0.43 1.61 0.01 -1.26 -5.07 113.70 114.99 1x6f s SER 2 Ca 0.00 0.54 -0.01 0.00 1.31 0.00 0.00 55.95 57.79 1x6f s SER 2 Cb 0.00 -2.07 0.12 0.00 0.21 0.00 0.00 66.02 64.28 1x6f s SER 2 CO 0.00 -0.08 0.20 -0.44 0.41 0.00 0.00 173.24 173.34 1x6f s SER 3 N -3.03 5.11 0.00 2.44 0.01 -1.26 -5.07 113.70 111.90 1x6f s SER 3 Ca 0.41 -2.21 0.00 0.00 1.31 0.00 0.00 55.95 55.46 1x6f s SER 3 Cb -0.11 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.34 1x6f s SER 3 CO 0.28 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1x6f n GLY 4 N 4.31 4.19 3.83 3.44 0.00 -1.26 -5.18 105.19 114.52 1x6f n GLY 4 Ca 0.01 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.13 1x6f n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6f s SER 5 N -0.90 -0.08 -0.37 1.61 1.04 -1.26 -5.10 113.70 108.65 1x6f s SER 5 Ca 0.00 -0.76 -0.33 0.00 0.48 0.00 0.00 55.95 55.34 1x6f s SER 5 Cb 0.00 0.65 -0.14 0.00 0.10 0.00 0.00 66.02 66.62 1x6f s SER 5 CO 0.00 -1.25 1.50 -1.54 0.98 0.00 0.00 173.24 172.93 1x6f n SER 6 N -1.00 0.63 0.00 7.02 3.41 -1.26 -4.81 113.62 117.62 1x6f n SER 6 Ca -0.06 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1x6f n SER 6 Cb 0.60 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1x6f n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6f n GLY 7 N 4.97 2.55 3.29 5.00 0.00 -1.26 -5.16 105.19 114.58 1x6f n GLY 7 Ca 0.37 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.34 -0.16 0.99 1.98 -1.26 -5.18 118.68 114.71 1x6f s LEU 8 Ca 0.00 0.45 -0.30 0.00 -2.89 0.00 0.00 54.13 51.39 1x6f s LEU 8 Cb 0.00 1.38 0.13 0.00 0.66 0.00 0.00 46.19 48.36 1x6f s LEU 8 CO 0.00 -0.06 0.99 -0.75 -1.89 0.00 0.00 176.35 174.64 1x6f s LYS 9 N 2.29 0.60 0.26 1.98 2.47 -1.26 -5.19 119.74 120.89 1x6f s LYS 9 Ca -0.01 0.15 0.00 0.00 -1.56 0.00 0.00 55.97 54.56 1x6f s LYS 9 Cb -0.04 0.28 -0.00 0.00 -1.46 0.00 0.00 37.83 36.61 1x6f s LYS 9 CO -0.17 -0.18 0.01 0.54 0.16 0.00 0.00 175.35 175.71 1x6f n ARG 10 N 0.76 1.25 -4.55 4.03 3.00 -1.26 -5.17 116.66 114.71 1x6f n ARG 10 Ca -0.10 -1.93 -0.26 0.00 -0.01 0.00 0.00 57.85 55.55 1x6f n ARG 10 Cb 0.58 0.60 -0.09 0.00 0.00 0.00 0.00 32.46 33.55 1x6f n ARG 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x6f s ASP 11 N -2.44 3.02 0.14 0.55 1.01 -1.26 -5.16 116.67 112.52 1x6f s ASP 11 Ca 0.02 -1.57 0.07 0.00 0.71 0.00 0.00 52.55 51.78 1x6f s ASP 11 Cb 0.00 0.28 -0.04 0.00 1.01 0.00 0.00 42.92 44.17 1x6f s ASP 11 CO 0.01 -0.79 -0.06 0.72 0.21 0.00 0.00 175.17 175.26 1x6f s PHE 12 N -3.13 2.78 -0.30 4.23 -0.71 -1.26 -5.11 117.98 114.47 1x6f s PHE 12 Ca 0.24 -0.15 -0.01 0.00 -1.04 0.00 0.00 56.93 55.97 1x6f s PHE 12 Cb 0.05 -1.39 0.10 0.00 -1.21 0.00 0.00 43.02 40.56 1x6f s PHE 12 CO 0.13 0.48 0.10 0.96 -1.34 0.00 0.00 175.22 175.55 1x6f s ILE 13 N -1.49 0.71 -0.20 -4.49 -4.36 -1.26 -5.09 121.20 105.03 1x6f s ILE 13 Ca 0.25 -1.25 -0.04 0.00 -0.26 0.00 0.00 60.65 59.34 1x6f s ILE 13 Cb -0.10 -1.53 0.10 0.00 1.25 0.00 0.00 42.46 42.18 1x6f s ILE 13 CO 0.16 -0.66 0.30 -0.63 0.24 0.00 0.00 174.94 174.36 1x6f s ILE 14 N 1.71 -0.48 0.37 8.37 1.09 -1.26 -5.16 121.20 125.85 1x6f s ILE 14 Ca 0.09 0.04 0.07 0.00 -1.10 0.00 0.00 60.65 59.75 1x6f s ILE 14 Cb -0.17 -0.66 -0.07 0.00 -1.06 0.00 0.00 42.46 40.50 1x6f s ILE 14 CO -0.26 -0.06 -0.01 -0.76 -0.10 0.00 0.00 174.94 173.74 1x6f s LEU 15 N 2.45 2.72 0.00 2.97 1.02 -1.26 -5.11 118.68 121.48 1x6f s LEU 15 Ca 0.06 -1.32 0.00 0.00 0.02 0.00 0.00 54.13 52.89 1x6f s LEU 15 Cb -0.14 -0.83 0.00 0.00 0.02 0.00 0.00 46.19 45.23 1x6f s LEU 15 CO -0.12 -0.41 0.00 0.61 0.02 0.00 0.00 176.35 176.45 1x6f n GLY 16 N -0.86 0.36 3.39 -3.19 0.00 -1.26 -5.03 105.19 98.60 1x6f n GLY 16 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.46 -5.98 -4.41 1.61 4.13 -1.26 -4.98 115.26 103.92 1x6f n ASN 17 Ca 0.00 -0.49 -0.40 0.00 1.68 0.00 0.00 54.58 55.37 1x6f n ASN 17 Cb 0.00 -4.60 -0.11 0.00 -1.54 0.00 0.00 39.78 33.53 1x6f n ASN 17 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1x6f s GLY 18 N -3.29 1.91 0.20 7.41 0.00 -1.26 -5.07 107.32 107.23 1x6f s GLY 18 Ca 0.53 -1.58 -0.30 0.00 0.00 0.00 0.00 44.72 43.37 1x6f s GLY 18 CO 0.66 0.79 1.30 2.56 0.00 0.00 0.00 173.10 178.41 1x6f s PRO 19 N 1.59 4.40 -0.24 2.90 0.04 -1.26 -4.92 135.00 137.51 1x6f s PRO 19 Ca 0.03 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 1x6f s PRO 19 Cb -0.18 -3.19 0.11 0.00 0.04 0.00 0.00 34.50 31.27 1x6f s PRO 19 CO 0.07 -0.23 2.24 0.54 0.04 0.00 0.00 177.00 179.65 1x6f n ARG 20 N 2.53 1.72 -3.89 4.56 3.00 -1.26 -4.77 116.66 118.55 1x6f n ARG 20 Ca 0.06 -1.28 -0.34 0.00 -0.01 0.00 0.00 57.85 56.28 1x6f n ARG 20 Cb 0.43 -1.58 -0.13 0.00 0.00 0.00 0.00 32.46 31.18 1x6f n ARG 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x6f s LEU 21 N -1.32 4.99 -0.80 0.55 1.43 -1.26 -5.04 118.68 117.23 1x6f s LEU 21 Ca 0.31 -2.17 -0.06 0.00 -1.03 0.00 0.00 54.13 51.17 1x6f s LEU 21 Cb 0.21 -1.73 0.20 0.00 0.03 0.00 0.00 46.19 44.91 1x6f s LEU 21 CO -0.03 -0.45 0.68 -1.58 0.23 0.00 0.00 176.35 175.20 1x6f s GLN 22 N 0.91 3.18 1.17 1.70 2.00 -1.26 -5.07 119.66 122.29 1x6f s GLN 22 Ca 0.10 -2.79 -0.17 0.00 -2.00 0.00 0.00 55.36 50.50 1x6f s GLN 22 Cb -0.21 -4.05 0.21 0.00 0.80 0.00 0.00 33.01 29.76 1x6f s GLN 22 CO -0.06 -1.23 0.41 0.09 -0.50 0.00 0.00 175.29 174.00 1x6f n ASN 23 N 3.21 -2.88 0.11 6.67 4.13 -1.26 -4.93 115.26 120.31 1x6f n ASN 23 Ca 0.15 -0.37 -0.18 0.00 1.68 0.00 0.00 54.58 55.85 1x6f n ASN 23 Cb 0.40 -0.94 -0.14 0.00 -1.54 0.00 0.00 39.78 37.55 1x6f n ASN 23 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1x6f h SER 24 N -2.68 0.51 -0.72 6.41 0.87 -1.96 -3.47 113.55 112.51 1x6f h SER 24 Ca -0.43 -0.56 -0.55 0.00 -1.23 0.00 0.00 61.79 59.01 1x6f h SER 24 Cb 1.17 -0.17 0.04 0.00 -0.44 0.00 0.00 62.40 63.00 1x6f h SER 24 CO 0.30 1.44 -0.01 0.35 -0.53 0.00 0.00 176.83 178.38 1x6f n THR 25 N -3.56 0.19 -2.90 2.23 -2.24 -1.26 -4.83 114.28 101.91 1x6f n THR 25 Ca -0.11 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1x6f n THR 25 Cb 1.04 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 1x6f n THR 25 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1x6f s TYR 26 N -0.10 3.18 -0.46 4.78 1.51 0.62 -4.83 117.35 122.06 1x6f s TYR 26 Ca 0.63 0.82 -0.23 0.00 -1.01 0.00 0.00 57.07 57.28 1x6f s TYR 26 Cb -0.88 -3.33 0.03 0.00 -0.11 0.00 0.00 41.96 37.67 1x6f s TYR 26 CO 0.41 -0.63 0.77 -0.65 -1.11 0.00 0.00 175.55 174.34 1x6f s GLN 27 N 3.09 3.38 0.93 -0.62 -1.52 -1.26 -1.77 119.66 121.89 1x6f s GLN 27 Ca 0.34 -0.17 -0.11 0.00 -1.95 0.00 0.00 55.36 53.47 1x6f s GLN 27 Cb -0.14 -3.95 0.15 0.00 -0.22 0.00 0.00 33.01 28.85 1x6f s GLN 27 CO 0.14 -1.13 1.12 0.00 -0.25 0.00 0.00 175.29 175.16 1x6f n LYS 29 N -4.21 0.55 -0.12 0.00 2.85 -1.26 -3.39 118.16 112.58 1x6f n LYS 29 Ca 0.10 -0.65 -0.16 0.00 -1.05 0.00 0.00 58.31 56.55 1x6f n LYS 29 Cb 0.53 -1.02 -0.13 0.00 -0.65 0.00 0.00 35.03 33.75 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 0.05 0.08 -0.07 5.58 8.25 -1.26 -4.68 115.22 123.16 1x6f n HIS 30 Ca 0.02 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1x6f n HIS 30 Cb 0.10 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.20 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 -0.50 -5.22 -3.13 0.00 9.92 -1.22 -5.02 116.55 111.38 1x6f n ASP 32 Ca 0.00 -0.35 -0.13 0.00 -0.53 0.00 0.00 54.79 53.79 1x6f n ASP 32 Cb 0.02 -3.90 0.08 0.00 -0.64 0.00 0.00 41.12 36.68 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 -1.76 0.41 -4.00 -2.24 7.64 -1.26 -4.73 113.62 107.67 1x6f n SER 33 Ca -0.02 -1.43 -0.25 0.00 1.01 0.00 0.00 58.87 58.18 1x6f n SER 33 Cb 0.56 -0.40 -0.17 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 -4.05 1.67 0.22 1.43 1.02 -1.26 -2.29 119.74 116.48 1x6f s LYS 34 Ca 0.35 -0.38 0.08 0.00 0.02 0.00 0.00 55.97 56.04 1x6f s LYS 34 Cb -0.01 -1.44 -0.05 0.00 -0.52 0.00 0.00 37.83 35.81 1x6f s LYS 34 CO 0.24 -0.03 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.99 1x6f s LEU 35 N 0.85 2.56 0.03 3.17 1.02 -0.73 -4.92 118.68 120.66 1x6f s LEU 35 Ca -0.11 -1.03 -0.25 0.00 0.02 0.00 0.00 54.13 52.75 1x6f s LEU 35 Cb -0.15 -0.72 -0.14 0.00 0.02 0.00 0.00 46.19 45.20 1x6f s LEU 35 CO 0.01 -0.16 1.21 1.56 0.02 0.00 0.00 176.35 178.99 1x6f h GLN 36 N 2.51 -0.88 -4.52 1.70 4.20 -1.93 0.18 115.11 116.36 1x6f h GLN 36 Ca -0.38 0.06 -0.35 0.00 0.06 0.00 0.00 58.65 58.04 1x6f h GLN 36 Cb 1.23 0.20 -0.11 0.00 0.30 0.00 0.00 27.48 29.09 1x6f h GLN 36 CO 0.62 -0.59 -0.38 -1.54 -0.67 0.00 0.00 178.83 176.27 1x6f s SER 37 N -3.86 1.12 0.28 1.46 1.04 -1.26 -4.14 113.70 108.33 1x6f s SER 37 Ca -0.13 -1.57 0.01 0.00 0.48 0.00 0.00 55.95 54.73 1x6f s SER 37 Cb 0.01 0.57 0.58 0.00 0.10 0.00 0.00 66.02 67.28 1x6f s SER 37 CO 0.40 -1.12 1.80 0.00 0.98 0.00 0.00 173.24 175.30 1x6f h THR 38 N 2.20 0.81 -1.00 2.02 1.03 -1.93 -0.73 112.91 115.31 1x6f h THR 38 Ca -0.28 -0.28 0.27 0.00 -0.01 0.00 0.00 66.41 66.11 1x6f h THR 38 Cb 1.24 -0.08 -0.13 0.00 -1.07 0.00 0.00 68.15 68.11 1x6f h THR 38 CO 0.39 0.15 0.58 0.00 -0.01 0.00 0.00 175.52 176.63 1x6f h ALA 39 N 1.56 1.84 -0.09 0.00 0.00 -2.00 0.41 119.26 120.98 1x6f h ALA 39 Ca 0.50 0.15 -0.19 0.00 0.00 0.00 0.00 54.91 55.37 1x6f h ALA 39 Cb 0.62 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1x6f h ALA 39 CO -0.32 -0.38 -0.75 0.93 0.00 0.00 0.00 179.25 178.73 1x6f h GLU 40 N 0.48 0.48 -0.58 0.00 5.08 -1.54 -3.23 114.58 115.27 1x6f h GLU 40 Ca 0.68 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1x6f h GLU 40 Cb 1.38 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1x6f h GLU 40 CO -0.53 1.03 0.17 1.25 -1.00 0.00 0.00 179.01 179.93 1x6f h LEU 41 N 0.32 0.85 -1.35 1.33 5.85 -0.09 0.11 115.31 122.34 1x6f h LEU 41 Ca -0.04 -0.21 0.22 0.00 0.84 0.00 0.00 57.88 58.69 1x6f h LEU 41 Cb 1.33 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.06 1x6f h LEU 41 CO 0.13 0.84 0.63 0.74 -0.34 0.00 0.00 178.44 180.44 1x6f h THR 42 N 0.81 0.64 0.08 1.05 2.02 -0.99 0.95 112.91 117.48 1x6f h THR 42 Ca 0.18 -0.17 -0.29 0.00 0.77 0.00 0.00 66.41 66.91 1x6f h THR 42 Cb 0.30 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1x6f h THR 42 CO -0.00 0.09 -1.53 0.28 0.37 0.00 0.00 175.52 174.72 1x6f h SER 43 N 0.49 0.28 -0.70 4.18 0.02 -1.56 -3.33 113.55 112.94 1x6f h SER 43 Ca 0.53 -0.79 0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1x6f h SER 43 Cb 1.21 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.57 1x6f h SER 43 CO -0.26 1.65 0.26 -0.74 -1.14 0.00 0.00 176.83 176.60 1x6f h HIS 44 N -0.40 0.44 0.04 3.45 6.17 -0.13 -1.96 115.15 122.75 1x6f h HIS 44 Ca -0.35 0.03 0.02 0.00 0.71 0.00 0.00 60.37 60.78 1x6f h HIS 44 Cb 1.70 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 31.52 1x6f h HIS 44 CO 0.10 0.06 -0.13 -0.07 0.71 0.00 0.00 177.93 178.61 1x6f h LEU 45 N 0.41 -0.37 -0.95 0.26 3.38 -1.00 -2.32 115.31 114.72 1x6f h LEU 45 Ca 0.37 0.05 0.35 0.00 0.09 0.00 0.00 57.88 58.74 1x6f h LEU 45 Cb 0.53 0.15 -0.17 0.00 0.09 0.00 0.00 40.66 41.26 1x6f h LEU 45 CO -0.38 -0.19 0.34 0.59 0.09 0.00 0.00 178.44 178.89 1x6f n ASN 46 N -5.26 0.18 -0.05 -0.43 3.02 -0.74 0.34 115.26 112.31 1x6f n ASN 46 Ca -0.06 1.60 -0.09 0.00 -0.03 0.00 0.00 54.58 56.00 1x6f n ASN 46 Cb 0.18 -0.71 -0.02 0.00 -0.61 0.00 0.00 39.78 38.62 1x6f n ASN 46 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1x6f h ILE 47 N 0.00 0.33 0.00 2.41 2.04 -1.37 0.60 117.51 121.52 1x6f h ILE 47 Ca 0.73 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.59 1x6f h ILE 47 Cb 1.81 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1x6f h ILE 47 CO -0.79 0.00 0.00 1.41 0.00 0.00 0.00 178.15 178.77 1x6f n HIS 48 N -5.39 0.00 -0.17 1.37 8.25 0.15 -0.34 115.22 119.09 1x6f n HIS 48 Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1x6f n HIS 48 Cb 0.31 -0.44 0.04 0.00 1.12 0.00 0.00 29.99 31.02 1x6f n HIS 48 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 1x6f h ASN 49 N 0.00 -0.49 -0.92 0.41 7.08 -1.55 0.28 115.58 120.39 1x6f h ASN 49 Ca 0.00 0.16 0.23 0.00 -3.08 0.00 0.00 56.30 53.60 1x6f h ASN 49 Cb 0.00 0.32 -0.12 0.00 -2.08 0.00 0.00 38.32 36.44 1x6f h ASN 49 CO 0.00 -0.17 0.43 -0.33 -2.08 0.00 0.00 177.43 175.28 1x6f h GLU 50 N -0.00 0.42 -0.65 4.14 5.08 -0.08 0.20 114.58 123.69 1x6f h GLU 50 Ca 0.25 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1x6f h GLU 50 Cb 0.38 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1x6f h GLU 50 CO -0.53 0.28 0.24 0.93 -1.00 0.00 0.00 179.01 178.93 1x6f h GLU 51 N 0.43 0.98 -0.67 2.33 5.08 0.15 -2.86 114.58 120.02 1x6f h GLU 51 Ca 0.58 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.82 1x6f h GLU 51 Cb 1.10 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 1x6f h GLU 51 CO -0.52 0.83 0.37 0.35 -1.00 0.00 0.00 179.01 179.04 1x6f h PHE 52 N 0.92 0.67 -0.98 4.33 3.04 -0.18 -2.48 116.94 122.26 1x6f h PHE 52 Ca 0.21 0.03 0.20 0.00 3.98 0.00 0.00 57.97 62.39 1x6f h PHE 52 Cb 0.23 -0.20 -0.19 0.00 2.56 0.00 0.00 35.95 38.35 1x6f h PHE 52 CO 0.01 0.31 -0.22 1.96 -2.02 0.00 0.00 178.31 178.36 1x6f h GLN 53 N 0.67 0.00 -0.82 1.11 1.08 -1.16 0.51 115.11 116.50 1x6f h GLN 53 Ca 0.30 -0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.69 1x6f h GLN 53 Cb 0.21 -0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.49 1x6f h GLN 53 CO -0.19 0.00 -0.06 0.87 -0.95 0.00 0.00 178.83 178.50 1x6f h LYS 54 N 0.00 0.05 0.15 1.46 1.57 -1.55 -2.21 116.57 116.05 1x6f h LYS 54 Ca 0.48 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.25 1x6f h LYS 54 Cb 0.76 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1x6f h LYS 54 CO -1.00 0.03 -0.07 -0.09 -0.57 0.00 0.00 179.45 177.75 1x6f h ARG 55 N 0.05 -0.20 -6.33 3.15 2.43 -0.21 -3.48 114.38 109.80 1x6f h ARG 55 Ca 0.44 0.01 -0.48 0.00 -0.81 0.00 0.00 59.98 59.15 1x6f h ARG 55 Cb 0.78 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 1x6f h ARG 55 CO -0.78 0.19 -0.77 0.00 -1.51 0.00 0.00 179.97 177.10 1x6f n ALA 56 N -2.63 -1.34 -3.43 2.80 0.00 -0.08 -1.78 120.51 114.05 1x6f n ALA 56 Ca -0.07 0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 1x6f n ALA 56 Cb 0.24 -4.22 0.08 0.00 0.00 0.00 0.00 19.45 15.55 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 -4.64 -5.31 -0.06 0.00 0.00 -1.26 -4.87 118.16 102.02 1x6f n LYS 57 Ca 0.02 0.82 0.13 0.00 0.00 0.00 0.00 58.31 59.28 1x6f n LYS 57 Cb 0.53 -5.74 0.54 0.00 0.00 0.00 0.00 35.03 30.36 1x6f n LYS 57 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 1x6f h ARG 58 N -1.71 0.31 -0.45 1.64 0.11 -1.72 -3.40 114.38 109.16 1x6f h ARG 58 Ca -0.60 -0.02 0.20 0.00 0.10 0.00 0.00 59.98 59.66 1x6f h ARG 58 Cb 1.34 -0.07 -0.20 0.00 1.11 0.00 0.00 29.97 32.14 1x6f h ARG 58 CO 0.49 0.21 0.00 -1.14 0.10 0.00 0.00 179.97 179.63 1x6f s GLN 59 N -5.31 0.26 -0.06 0.08 0.74 -1.26 -5.17 119.66 108.94 1x6f s GLN 59 Ca -0.07 0.38 -0.07 0.00 0.05 0.00 0.00 55.36 55.65 1x6f s GLN 59 Cb 0.20 0.20 0.02 0.00 1.10 0.00 0.00 33.01 34.53 1x6f s GLN 59 CO 0.74 -0.35 0.19 -2.00 -0.55 0.00 0.00 175.29 173.33 1x6f s GLU 60 N 2.93 0.30 -0.43 1.67 2.56 -1.26 -5.13 118.70 119.34 1x6f s GLU 60 Ca 0.10 0.13 -0.13 0.00 0.00 0.00 0.00 54.97 55.07 1x6f s GLU 60 Cb -0.09 0.14 0.06 0.00 2.00 0.00 0.00 34.13 36.24 1x6f s GLU 60 CO -0.17 -0.05 0.31 -0.98 -0.56 0.00 0.00 175.26 173.81 1x6f s ARG 61 N -0.25 2.83 -0.04 4.30 1.70 -1.26 -5.04 118.95 121.20 1x6f s ARG 61 Ca -0.03 -1.31 -0.30 0.00 -0.47 0.00 0.00 55.73 53.61 1x6f s ARG 61 Cb -0.03 -3.93 0.07 0.00 -0.57 0.00 0.00 34.95 30.49 1x6f s ARG 61 CO 0.01 -0.92 0.69 -0.98 -1.08 0.00 0.00 175.30 173.02 1x6f s ARG 62 N 1.56 1.05 0.19 3.89 1.04 -1.26 -5.18 118.95 120.24 1x6f s ARG 62 Ca 0.03 0.20 0.07 0.00 -1.04 0.00 0.00 55.73 54.99 1x6f s ARG 62 Cb -0.22 0.50 -0.04 0.00 -2.04 0.00 0.00 34.95 33.14 1x6f s ARG 62 CO 0.05 -0.34 0.03 0.15 -0.04 0.00 0.00 175.30 175.15 1x6f s LYS 63 N -1.38 2.48 0.01 3.89 -0.14 -1.26 -5.05 119.74 118.29 1x6f s LYS 63 Ca -0.10 -1.12 -0.25 0.00 -1.36 0.00 0.00 55.97 53.15 1x6f s LYS 63 Cb -0.00 -2.38 -0.17 0.00 -1.68 0.00 0.00 37.83 33.60 1x6f s LYS 63 CO 0.08 0.44 1.31 -0.56 -0.76 0.00 0.00 175.35 175.86 1x6f h GLN 64 N 2.48 -0.32 -3.28 1.68 3.07 -2.02 -3.48 115.11 113.24 1x6f h GLN 64 Ca -0.47 0.02 -0.07 0.00 0.09 0.00 0.00 58.65 58.23 1x6f h GLN 64 Cb 1.21 0.07 -0.03 0.00 0.08 0.00 0.00 27.48 28.82 1x6f h GLN 64 CO 0.59 -0.01 0.15 -0.51 0.09 0.00 0.00 178.83 179.14 1x6f s LEU 65 N -9.56 0.22 -0.89 0.06 1.43 -1.26 -5.10 118.68 103.57 1x6f s LEU 65 Ca -0.14 -1.15 -0.02 0.00 -1.03 0.00 0.00 54.13 51.78 1x6f s LEU 65 Cb 0.03 2.48 0.22 0.00 0.03 0.00 0.00 46.19 48.95 1x6f s LEU 65 CO 0.58 -1.54 0.78 -0.22 0.23 0.00 0.00 176.35 176.18 1x6f s LEU 66 N -3.09 5.60 -0.03 1.79 1.98 -1.26 -5.02 118.68 118.66 1x6f s LEU 66 Ca 0.19 -3.66 -0.25 0.00 -2.89 0.00 0.00 54.13 47.52 1x6f s LEU 66 Cb -0.04 -1.93 0.05 0.00 0.66 0.00 0.00 46.19 44.94 1x6f s LEU 66 CO 0.13 -0.20 0.55 -0.44 -1.89 0.00 0.00 176.35 174.49 1x6f s SER 67 N 0.03 -0.49 -0.68 3.68 0.01 -1.26 -5.05 113.70 109.94 1x6f s SER 67 Ca 0.27 0.46 -0.02 0.00 1.31 0.00 0.00 55.95 57.97 1x6f s SER 67 Cb -0.08 0.47 0.42 0.00 0.21 0.00 0.00 66.02 67.03 1x6f s SER 67 CO -0.12 -0.58 2.05 0.29 0.41 0.00 0.00 173.24 175.29 1x6f n LYS 68 N 0.95 2.65 -0.48 12.44 4.01 -1.26 -5.01 118.16 131.46 1x6f n LYS 68 Ca -0.20 -3.23 -0.26 0.00 -0.51 0.00 0.00 58.31 54.11 1x6f n LYS 68 Cb 0.57 -2.25 0.21 0.00 -0.51 0.00 0.00 35.03 33.05 1x6f n LYS 68 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1x6f n GLN 69 N -0.78 -2.79 -4.16 1.97 -0.00 -1.26 -5.05 117.38 105.31 1x6f n GLN 69 Ca 0.60 -0.82 -0.10 0.00 -0.00 0.00 0.00 57.00 56.68 1x6f n GLN 69 Cb 0.59 -1.74 -0.10 0.00 -0.00 0.00 0.00 30.24 28.99 1x6f n GLN 69 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1x6f s LYS 70 N -3.97 0.80 0.13 2.61 -0.14 -1.26 -5.15 119.74 112.76 1x6f s LYS 70 Ca 0.54 -1.31 -0.17 0.00 -1.36 0.00 0.00 55.97 53.67 1x6f s LYS 70 Cb -0.12 -0.14 -0.07 0.00 -1.68 0.00 0.00 37.83 35.82 1x6f s LYS 70 CO 0.53 -0.03 0.58 0.71 -0.76 0.00 0.00 175.35 176.38 1x6f s TYR 71 N -3.65 3.68 -0.25 3.18 1.51 -1.26 -5.07 117.35 115.50 1x6f s TYR 71 Ca 0.11 1.19 -0.27 0.00 -1.01 0.00 0.00 57.07 57.08 1x6f s TYR 71 Cb 0.06 -2.45 0.15 0.00 -0.11 0.00 0.00 41.96 39.60 1x6f s TYR 71 CO -0.06 0.47 1.15 0.00 -1.11 0.00 0.00 175.55 176.00 1x6f s ALA 72 N -1.35 -2.03 0.06 3.71 0.00 -1.26 -5.19 121.76 115.70 1x6f s ALA 72 Ca 0.35 1.75 -0.27 0.00 0.00 0.00 0.00 51.96 53.80 1x6f s ALA 72 Cb -0.17 -1.29 0.09 0.00 0.00 0.00 0.00 23.12 21.75 1x6f s ALA 72 CO 0.19 -0.23 0.78 0.34 0.00 0.00 0.00 175.76 176.84 1x6f s ASP 73 N -0.40 -0.44 0.19 0.00 -1.08 -1.26 -5.19 116.67 108.48 1x6f s ASP 73 Ca 0.03 0.01 -0.14 0.00 -0.52 0.00 0.00 52.55 51.93 1x6f s ASP 73 Cb -0.03 0.47 0.01 0.00 -1.46 0.00 0.00 42.92 41.91 1x6f s ASP 73 CO -0.06 -0.75 0.44 -0.83 0.52 0.00 0.00 175.17 174.49 1x6f s GLY 74 N -2.57 0.16 0.06 2.66 0.00 -1.26 -5.18 107.32 101.19 1x6f s GLY 74 Ca 0.03 -0.51 -0.27 0.00 0.00 0.00 0.00 44.72 43.97 1x6f s GLY 74 CO -0.10 -0.49 1.17 0.00 0.00 0.00 0.00 173.10 173.67 1x6f s ALA 75 N -3.92 -2.03 0.09 3.20 0.00 -1.26 -5.19 121.76 112.65 1x6f s ALA 75 Ca 0.13 0.21 -0.27 0.00 0.00 0.00 0.00 51.96 52.03 1x6f s ALA 75 Cb 0.01 0.62 0.08 0.00 0.00 0.00 0.00 23.12 23.83 1x6f s ALA 75 CO -0.01 -1.08 1.05 0.12 0.00 0.00 0.00 175.76 175.85 1x6f s PHE 76 N -2.44 -0.12 0.10 0.00 5.36 -1.26 -5.19 117.98 114.43 1x6f s PHE 76 Ca 0.19 -0.12 -0.14 0.00 -0.96 0.00 0.00 56.93 55.90 1x6f s PHE 76 Cb 0.01 0.60 0.02 0.00 -0.34 0.00 0.00 43.02 43.32 1x6f s PHE 76 CO 0.00 -0.64 0.33 0.00 -1.46 0.00 0.00 175.22 173.45 1x6f s ALA 77 N -3.01 -0.71 0.33 11.12 0.00 -1.26 -5.18 121.76 123.04 1x6f s ALA 77 Ca 0.12 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 51.96 1x6f s ALA 77 Cb 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 1x6f s ALA 77 CO -0.00 -0.56 0.17 0.16 0.00 0.00 0.00 175.76 175.53 1x6f s ASP 78 N -2.64 1.79 0.00 0.00 -4.77 -1.26 -5.18 116.67 104.61 1x6f s ASP 78 Ca 0.02 -1.60 -0.28 0.00 -3.30 0.00 0.00 52.55 47.38 1x6f s ASP 78 Cb 0.02 0.42 0.10 0.00 -1.09 0.00 0.00 42.92 42.37 1x6f s ASP 78 CO -0.10 -0.91 0.86 0.12 0.70 0.00 0.00 175.17 175.84 1x6f s PHE 79 N -3.51 -0.37 -0.01 2.11 5.36 -1.26 -5.19 117.98 115.11 1x6f s PHE 79 Ca 0.34 0.27 -0.29 0.00 -0.96 0.00 0.00 56.93 56.29 1x6f s PHE 79 Cb 0.04 0.53 0.08 0.00 -0.34 0.00 0.00 43.02 43.33 1x6f s PHE 79 CO 0.18 -0.56 0.70 0.21 -1.46 0.00 0.00 175.22 174.29 1x6f s LYS 80 N -3.03 1.05 -0.10 10.12 2.47 -1.26 -5.08 119.74 123.92 1x6f s LYS 80 Ca 0.04 0.05 -0.04 0.00 -1.56 0.00 0.00 55.97 54.46 1x6f s LYS 80 Cb -0.01 0.49 -0.05 0.00 -1.46 0.00 0.00 37.83 36.81 1x6f s LYS 80 CO -0.08 -0.37 -0.12 0.00 0.16 0.00 0.00 175.35 174.94 1x6f n GLN 81 N 0.53 0.22 -3.82 4.03 -0.00 -1.26 -4.99 117.38 112.09 1x6f n GLN 81 Ca -0.17 0.08 -0.31 0.00 -0.00 0.00 0.00 57.00 56.60 1x6f n GLN 81 Cb 0.59 -0.94 -0.06 0.00 -0.00 0.00 0.00 30.24 29.83 1x6f n GLN 81 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1x6f n GLU 82 N -3.27 -0.81 -3.54 2.61 2.13 -1.26 -4.87 120.64 111.63 1x6f n GLU 82 Ca -0.19 0.10 -0.22 0.00 0.66 0.00 0.00 57.16 57.51 1x6f n GLU 82 Cb 0.65 -3.41 -0.01 0.00 0.27 0.00 0.00 31.44 28.95 1x6f n GLU 82 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1x6f s SER 83 N -2.95 4.97 -0.10 4.31 1.04 -1.26 -5.15 113.70 114.56 1x6f s SER 83 Ca 0.52 -0.89 -0.23 0.00 0.48 0.00 0.00 55.95 55.83 1x6f s SER 83 Cb -0.30 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 65.74 1x6f s SER 83 CO 0.77 -0.91 0.54 -0.83 0.98 0.00 0.00 173.24 173.79 1x6f s GLY 84 N -4.28 -0.41 1.06 7.32 0.00 -1.26 -5.17 107.32 104.57 1x6f s GLY 84 Ca 0.47 1.15 -0.18 0.00 0.00 0.00 0.00 44.72 46.16 1x6f s GLY 84 CO 0.28 0.88 0.94 -1.55 0.00 0.00 0.00 173.10 173.65 1x6f n PRO 85 N 1.69 -2.86 -4.04 2.90 -0.04 -1.26 -5.10 135.00 126.29 1x6f n PRO 85 Ca -0.18 -1.50 -0.12 0.00 -0.04 0.00 0.00 63.50 61.66 1x6f n PRO 85 Cb 0.56 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 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 -4.03 0.52 0.22 3.54 0.01 -1.26 -5.18 113.70 107.53 1x6f s SER 86 Ca 0.61 -1.30 0.06 0.00 1.31 0.00 0.00 55.95 56.63 1x6f s SER 86 Cb -0.06 0.65 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 1x6f s SER 86 CO 0.47 -1.28 0.21 -0.55 0.41 0.00 0.00 173.24 172.50 1x6f s SER 87 N -3.16 5.69 0.00 2.44 0.15 -1.26 -5.39 113.70 112.18 1x6f s SER 87 Ca 0.27 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1x6f s SER 87 Cb -0.01 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 1x6f s SER 87 CO 0.16 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.20