#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6f n SER 2 N 0.00 3.38 -3.83 1.61 7.64 -1.26 -4.97 113.62 116.20 1x6f n SER 2 Ca 0.00 1.02 -0.09 0.00 1.01 0.00 0.00 58.87 60.81 1x6f n SER 2 Cb 0.00 -1.42 -0.07 0.00 -1.01 0.00 0.00 64.21 61.71 1x6f n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x6f s SER 3 N 2.45 0.05 -0.27 6.43 1.04 -1.26 -5.08 113.70 117.06 1x6f s SER 3 Ca 0.85 -0.53 -0.08 0.00 0.48 0.00 0.00 55.95 56.67 1x6f s SER 3 Cb -0.65 0.34 -0.14 0.00 0.10 0.00 0.00 66.02 65.67 1x6f s SER 3 CO 0.43 -0.70 -0.30 0.61 0.98 0.00 0.00 173.24 174.26 1x6f n GLY 4 N 0.11 -0.42 3.83 7.32 0.00 -1.26 -5.01 105.19 109.77 1x6f n GLY 4 Ca -0.16 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1x6f n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x6f n SER 5 N -3.85 -4.22 -4.26 1.61 7.64 -1.26 -4.96 113.62 104.32 1x6f n SER 5 Ca -0.51 -0.76 -0.36 0.00 1.01 0.00 0.00 58.87 58.25 1x6f n SER 5 Cb 0.93 -4.06 -0.13 0.00 -1.01 0.00 0.00 64.21 59.94 1x6f n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x6f s SER 6 N -3.54 4.79 0.44 6.43 0.15 -1.26 -5.10 113.70 115.62 1x6f s SER 6 Ca 0.52 -0.89 -0.00 0.00 0.70 0.00 0.00 55.95 56.28 1x6f s SER 6 Cb -0.25 -1.77 0.02 0.00 -1.71 0.00 0.00 66.02 62.30 1x6f s SER 6 CO 0.81 -0.19 0.11 0.61 1.20 0.00 0.00 173.24 175.78 1x6f n GLY 7 N 4.75 0.67 3.59 9.45 0.00 -1.26 -5.05 105.19 117.33 1x6f n GLY 7 Ca -0.15 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 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 4.18 -0.12 0.99 1.98 -1.26 -5.04 118.68 119.41 1x6f s LEU 8 Ca 0.07 0.24 -0.29 0.00 -2.89 0.00 0.00 54.13 51.26 1x6f s LEU 8 Cb -0.00 -2.60 -0.02 0.00 0.66 0.00 0.00 46.19 44.22 1x6f s LEU 8 CO 0.05 -0.36 1.30 -0.54 -1.89 0.00 0.00 176.35 174.90 1x6f s LYS 9 N 2.32 4.25 -0.20 1.98 3.01 -1.26 -5.00 119.74 124.85 1x6f s LYS 9 Ca 0.19 1.73 -0.10 0.00 -1.01 0.00 0.00 55.97 56.78 1x6f s LYS 9 Cb -0.16 -3.73 0.07 0.00 -1.01 0.00 0.00 37.83 33.00 1x6f s LYS 9 CO 0.11 -0.66 0.47 -0.98 0.51 0.00 0.00 175.35 174.80 1x6f s ARG 10 N 3.24 0.45 0.21 1.68 1.04 -1.26 -5.16 118.95 119.15 1x6f s ARG 10 Ca 0.57 0.93 -0.16 0.00 -1.04 0.00 0.00 55.73 56.03 1x6f s ARG 10 Cb -0.24 0.08 -0.08 0.00 -2.04 0.00 0.00 34.95 32.67 1x6f s ARG 10 CO 0.18 -0.17 0.65 -0.51 -0.04 0.00 0.00 175.30 175.41 1x6f s ASP 11 N 1.64 6.90 -0.50 -2.89 1.01 -1.26 -4.93 116.67 116.64 1x6f s ASP 11 Ca -0.09 1.24 -0.44 0.00 0.71 0.00 0.00 52.55 53.98 1x6f s ASP 11 Cb -0.08 -2.35 -0.19 0.00 1.01 0.00 0.00 42.92 41.31 1x6f s ASP 11 CO -0.14 0.02 2.10 2.22 0.21 0.00 0.00 175.17 179.57 1x6f n PHE 12 N 0.54 1.19 -3.34 4.23 -1.74 -1.26 -4.88 117.46 112.19 1x6f n PHE 12 Ca -0.02 0.79 -0.38 0.00 -0.56 0.00 0.00 57.45 57.27 1x6f n PHE 12 Cb 0.52 -2.27 -0.06 0.00 1.52 0.00 0.00 39.48 39.18 1x6f n PHE 12 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1x6f s ILE 13 N 5.81 4.82 -0.62 1.97 1.01 -1.26 -5.03 121.20 127.91 1x6f s ILE 13 Ca 1.19 1.06 -0.25 0.00 0.00 0.00 0.00 60.65 62.64 1x6f s ILE 13 Cb -1.49 -3.83 0.04 0.00 0.01 0.00 0.00 42.46 37.19 1x6f s ILE 13 CO 0.66 0.50 1.07 -0.63 0.00 0.00 0.00 174.94 176.54 1x6f s ILE 14 N -1.18 4.16 -0.01 2.92 1.01 -1.26 -4.99 121.20 121.84 1x6f s ILE 14 Ca 0.30 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.27 1x6f s ILE 14 Cb -0.18 -4.69 0.01 0.00 0.01 0.00 0.00 42.46 37.61 1x6f s ILE 14 CO 0.18 -1.39 0.00 -1.48 0.00 0.00 0.00 174.94 172.25 1x6f s LEU 15 N 4.56 1.58 0.00 2.97 2.34 -1.26 -4.95 118.68 123.92 1x6f s LEU 15 Ca 0.32 -0.00 0.00 0.00 0.06 0.00 0.00 54.13 54.51 1x6f s LEU 15 Cb -0.11 -0.09 0.00 0.00 -0.56 0.00 0.00 46.19 45.42 1x6f s LEU 15 CO 0.18 -0.05 0.00 0.61 -1.06 0.00 0.00 176.35 176.03 1x6f n GLY 16 N 3.57 0.76 2.98 -3.48 0.00 -1.26 -5.13 105.19 102.63 1x6f n GLY 16 Ca -0.19 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1x6f n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x6f s ASN 17 N -1.42 1.83 -0.21 1.61 2.47 -1.26 -5.12 114.94 112.84 1x6f s ASN 17 Ca 0.00 -0.29 -0.28 0.00 0.42 0.00 0.00 52.86 52.72 1x6f s ASN 17 Cb 0.00 -0.80 0.00 0.00 -1.45 0.00 0.00 41.25 39.00 1x6f s ASN 17 CO 0.00 -0.02 0.96 -0.83 -3.72 0.00 0.00 177.10 173.49 1x6f s GLY 18 N 0.99 1.85 0.43 1.21 0.00 -1.26 -5.04 107.32 105.49 1x6f s GLY 18 Ca -0.09 0.11 -0.07 0.00 0.00 0.00 0.00 44.72 44.67 1x6f s GLY 18 CO -0.00 1.99 0.38 -1.55 0.00 0.00 0.00 173.10 173.92 1x6f n PRO 19 N 5.93 -1.77 -2.47 2.90 -0.04 -1.26 -4.67 135.00 133.62 1x6f n PRO 19 Ca 0.09 -0.61 -0.07 0.00 -0.04 0.00 0.00 63.50 62.87 1x6f n PRO 19 Cb 0.47 -0.57 0.04 0.00 -0.04 0.00 0.00 33.50 33.40 1x6f n PRO 19 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x6f n ARG 20 N -2.68 -2.00 -3.49 0.54 0.00 -1.26 -5.02 116.66 102.74 1x6f n ARG 20 Ca 0.05 0.39 -0.27 0.00 -0.00 0.00 0.00 57.85 58.02 1x6f n ARG 20 Cb 0.20 -3.74 -0.10 0.00 0.00 0.00 0.00 32.46 28.83 1x6f n ARG 20 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1x6f n LEU 21 N -2.34 0.97 -4.69 6.15 -0.00 -1.26 -5.10 117.00 110.73 1x6f n LEU 21 Ca -0.08 -4.76 -0.42 0.00 -0.00 0.00 0.00 56.01 50.75 1x6f n LEU 21 Cb 0.57 0.10 -0.03 0.00 -0.00 0.00 0.00 43.42 44.06 1x6f n LEU 21 CO 0.27 1.89 0.77 -1.10 -0.00 0.00 0.00 177.39 179.22 1x6f s GLN 22 N -0.82 4.45 -0.46 1.47 1.11 -1.26 -5.00 119.66 119.15 1x6f s GLN 22 Ca 0.32 1.41 0.03 0.00 0.01 0.00 0.00 55.36 57.13 1x6f s GLN 22 Cb 0.05 -3.52 0.16 0.00 -1.01 0.00 0.00 33.01 28.69 1x6f s GLN 22 CO -0.16 -0.26 0.33 1.21 0.01 0.00 0.00 175.29 176.43 1x6f s ASN 23 N 1.09 2.67 -0.07 5.90 2.47 -1.26 -4.95 114.94 120.79 1x6f s ASN 23 Ca 0.49 -3.02 -0.16 0.00 0.42 0.00 0.00 52.86 50.60 1x6f s ASN 23 Cb -0.19 -0.76 -0.29 0.00 -1.45 0.00 0.00 41.25 38.55 1x6f s ASN 23 CO 0.20 -0.19 0.68 0.28 -3.72 0.00 0.00 177.10 174.35 1x6f h SER 24 N 5.97 0.49 -1.31 -4.21 0.02 -1.94 -3.47 113.55 109.10 1x6f h SER 24 Ca 0.17 -0.90 -0.56 0.00 -0.84 0.00 0.00 61.79 59.66 1x6f h SER 24 Cb 0.89 -0.16 0.13 0.00 0.14 0.00 0.00 62.40 63.40 1x6f h SER 24 CO 0.44 1.63 -0.73 0.35 -1.14 0.00 0.00 176.83 177.38 1x6f n THR 25 N -3.86 0.90 -3.30 -2.27 -2.24 -1.26 -4.90 114.28 97.35 1x6f n THR 25 Ca -0.22 -0.44 -0.39 0.00 -2.27 0.00 0.00 64.05 60.73 1x6f n THR 25 Cb 0.95 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.31 3.80 -0.43 4.78 1.51 0.78 -4.85 117.35 121.63 1x6f s TYR 26 Ca 0.53 1.24 -0.09 0.00 -1.01 0.00 0.00 57.07 57.74 1x6f s TYR 26 Cb -0.64 -2.47 0.08 0.00 -0.11 0.00 0.00 41.96 38.83 1x6f s TYR 26 CO 0.54 0.59 0.27 -0.65 -1.11 0.00 0.00 175.55 175.19 1x6f s GLN 27 N -1.10 2.58 0.09 -0.62 -1.52 -1.26 -1.43 119.66 116.41 1x6f s GLN 27 Ca 0.28 -1.51 -0.31 0.00 -1.95 0.00 0.00 55.36 51.88 1x6f s GLN 27 Cb -0.19 -3.80 -0.10 0.00 -0.22 0.00 0.00 33.01 28.69 1x6f s GLN 27 CO 0.18 -0.99 1.88 0.00 -0.25 0.00 0.00 175.29 176.11 1x6f n LYS 29 N 6.21 1.52 0.00 0.00 -0.00 -1.26 -1.27 118.16 123.36 1x6f n LYS 29 Ca 0.19 -1.12 0.00 0.00 -0.00 0.00 0.00 58.31 57.38 1x6f n LYS 29 Cb 0.38 -1.44 0.00 0.00 -0.00 0.00 0.00 35.03 33.97 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 0.29 0.00 -0.30 5.58 8.25 -1.26 -4.89 115.22 122.89 1x6f n HIS 30 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1x6f n HIS 30 Cb 0.73 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.89 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 -0.13 -2.73 -3.37 0.00 9.92 -0.40 -5.03 116.55 114.81 1x6f n ASP 32 Ca 0.00 -0.47 -0.10 0.00 -0.53 0.00 0.00 54.79 53.69 1x6f n ASP 32 Cb 0.07 -4.06 0.04 0.00 -0.64 0.00 0.00 41.12 36.54 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 -2.51 0.91 -3.86 -2.24 2.88 -1.25 -4.84 113.62 102.71 1x6f n SER 33 Ca -0.18 -1.69 -0.21 0.00 -1.33 0.00 0.00 58.87 55.47 1x6f n SER 33 Cb 0.61 -0.24 -0.17 0.00 -0.75 0.00 0.00 64.21 63.67 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 -3.41 0.75 0.15 -1.46 1.02 -1.25 -2.61 119.74 112.93 1x6f s LYS 34 Ca 0.30 -0.05 0.09 0.00 0.02 0.00 0.00 55.97 56.34 1x6f s LYS 34 Cb -0.02 -0.86 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 1x6f s LYS 34 CO 0.20 -0.14 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.77 1x6f s LEU 35 N 1.18 2.39 0.07 3.17 1.02 -0.51 -4.91 118.68 121.09 1x6f s LEU 35 Ca -0.07 -0.80 -0.33 0.00 0.02 0.00 0.00 54.13 52.94 1x6f s LEU 35 Cb -0.14 -0.94 -0.19 0.00 0.02 0.00 0.00 46.19 44.94 1x6f s LEU 35 CO -0.01 0.04 1.60 -0.61 0.02 0.00 0.00 176.35 177.39 1x6f h GLN 36 N 3.53 -0.93 -3.67 1.70 5.75 -1.95 0.22 115.11 119.77 1x6f h GLN 36 Ca -0.45 0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.00 1x6f h GLN 36 Cb 1.20 0.21 -0.07 0.00 1.07 0.00 0.00 27.48 29.89 1x6f h GLN 36 CO 0.46 -0.62 -0.06 -1.12 -2.65 0.00 0.00 178.83 174.84 1x6f s SER 37 N -4.35 0.25 0.23 -0.69 0.01 -1.26 -4.30 113.70 103.59 1x6f s SER 37 Ca -0.18 -1.14 -0.12 0.00 1.31 0.00 0.00 55.95 55.82 1x6f s SER 37 Cb 0.03 0.66 0.29 0.00 0.21 0.00 0.00 66.02 67.22 1x6f s SER 37 CO 0.61 -1.30 1.61 0.74 0.41 0.00 0.00 173.24 175.31 1x6f h THR 38 N 2.15 0.28 -1.07 1.44 2.02 -1.96 0.18 112.91 115.95 1x6f h THR 38 Ca -0.28 -0.00 0.40 0.00 0.77 0.00 0.00 66.41 67.30 1x6f h THR 38 Cb 1.25 0.28 -0.14 0.00 -1.74 0.00 0.00 68.15 67.80 1x6f h THR 38 CO 0.37 0.00 0.65 0.00 0.37 0.00 0.00 175.52 176.91 1x6f n ALA 39 N -3.19 1.08 0.10 6.16 0.00 -1.26 0.24 120.51 123.63 1x6f n ALA 39 Ca 0.10 0.81 -0.19 0.00 0.00 0.00 0.00 53.44 54.16 1x6f n ALA 39 Cb 0.37 -0.91 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 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 0.34 -0.63 0.00 3.07 -1.05 -3.32 114.58 112.98 1x6f h GLU 40 Ca 0.76 -0.57 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 1x6f h GLU 40 Cb 2.27 0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 30.37 1x6f h GLU 40 CO -0.51 1.25 0.08 1.25 -1.40 0.00 0.00 179.01 179.68 1x6f h LEU 41 N 0.09 1.02 -1.79 1.33 5.85 0.33 0.24 115.31 122.37 1x6f h LEU 41 Ca -0.20 -0.25 0.14 0.00 0.84 0.00 0.00 57.88 58.41 1x6f h LEU 41 Cb 2.04 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 1x6f h LEU 41 CO 0.21 1.02 0.43 0.74 -0.34 0.00 0.00 178.44 180.50 1x6f h THR 42 N 0.99 0.78 0.07 1.05 2.02 -0.62 0.22 112.91 117.40 1x6f h THR 42 Ca 0.19 -0.07 -0.37 0.00 0.77 0.00 0.00 66.41 66.93 1x6f h THR 42 Cb 0.46 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1x6f h THR 42 CO 0.02 0.04 -2.17 -1.20 0.37 0.00 0.00 175.52 172.57 1x6f n SER 43 N -4.43 2.05 -0.14 4.18 7.64 -0.98 -4.03 113.62 117.92 1x6f n SER 43 Ca 0.11 0.09 -0.07 0.00 1.01 0.00 0.00 58.87 60.01 1x6f n SER 43 Cb 0.55 -0.69 0.01 0.00 -1.01 0.00 0.00 64.21 63.07 1x6f n SER 43 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1x6f h HIS 44 N -0.04 0.50 -0.61 1.43 6.17 -0.09 -2.61 115.15 119.90 1x6f h HIS 44 Ca -0.49 0.01 0.07 0.00 0.71 0.00 0.00 60.37 60.67 1x6f h HIS 44 Cb 1.93 -0.16 -0.06 0.00 2.52 0.00 0.00 27.41 31.64 1x6f h HIS 44 CO 0.05 0.30 0.30 -0.07 0.71 0.00 0.00 177.93 179.22 1x6f h LEU 45 N 0.54 0.40 -1.06 0.26 3.38 -0.79 -1.54 115.31 116.50 1x6f h LEU 45 Ca 0.17 0.05 0.32 0.00 0.09 0.00 0.00 57.88 58.50 1x6f h LEU 45 Cb -0.01 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.57 1x6f h LEU 45 CO -0.06 0.25 0.60 0.78 0.09 0.00 0.00 178.44 180.10 1x6f h ASN 46 N 0.55 0.52 -0.93 -0.43 2.35 -1.60 0.64 115.58 116.68 1x6f h ASN 46 Ca 0.29 0.17 0.20 0.00 -0.55 0.00 0.00 56.30 56.41 1x6f h ASN 46 Cb 0.25 0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.66 1x6f h ASN 46 CO -0.22 -0.09 0.60 0.40 -1.65 0.00 0.00 177.43 176.47 1x6f h ILE 47 N 0.35 0.70 0.03 2.81 2.04 -1.29 0.14 117.51 122.28 1x6f h ILE 47 Ca 0.72 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 66.40 1x6f h ILE 47 Cb 1.67 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1x6f h ILE 47 CO -0.55 0.09 -0.01 0.45 0.00 0.00 0.00 178.15 178.13 1x6f h HIS 48 N 0.51 -0.04 0.14 1.37 3.86 0.17 -3.19 115.15 117.98 1x6f h HIS 48 Ca 0.49 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.72 1x6f h HIS 48 Cb 1.08 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.53 1x6f h HIS 48 CO -0.00 0.65 -0.30 -0.91 0.86 0.00 0.00 177.93 178.23 1x6f h ASN 49 N -0.81 -0.85 -1.05 2.45 2.35 -1.08 -1.52 115.58 115.07 1x6f h ASN 49 Ca -0.00 0.10 0.30 0.00 -0.55 0.00 0.00 56.30 56.14 1x6f h ASN 49 Cb 0.71 0.32 -0.13 0.00 0.05 0.00 0.00 38.32 39.27 1x6f h ASN 49 CO 0.01 -0.39 0.63 1.05 -1.65 0.00 0.00 177.43 177.08 1x6f h GLU 50 N -0.53 0.38 -0.40 0.81 4.11 -0.89 0.33 114.58 118.39 1x6f h GLU 50 Ca 0.02 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1x6f h GLU 50 Cb 0.55 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1x6f h GLU 50 CO -0.16 0.25 -0.12 0.93 0.07 0.00 0.00 179.01 179.98 1x6f h GLU 51 N 0.39 0.78 -0.42 1.06 5.08 -1.29 -2.52 114.58 117.66 1x6f h GLU 51 Ca 0.69 -0.31 0.09 0.00 -1.00 0.00 0.00 59.36 58.82 1x6f h GLU 51 Cb 1.61 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.73 1x6f h GLU 51 CO -0.47 0.92 -0.21 0.35 -1.00 0.00 0.00 179.01 178.60 1x6f h PHE 52 N 0.59 -0.55 -0.32 4.33 3.57 0.44 0.28 116.94 125.28 1x6f h PHE 52 Ca 0.10 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1x6f h PHE 52 Cb 0.65 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1x6f h PHE 52 CO 0.05 -0.30 0.12 1.96 -2.23 0.00 0.00 178.31 177.92 1x6f h GLN 53 N -0.13 0.49 0.48 1.11 4.20 -1.48 -3.14 115.11 116.63 1x6f h GLN 53 Ca 0.20 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1x6f h GLN 53 Cb 0.45 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1x6f h GLN 53 CO -0.51 0.50 -0.36 -0.22 -0.67 0.00 0.00 178.83 177.58 1x6f h LYS 54 N 0.37 -0.77 -0.71 1.46 1.63 -0.85 -2.93 116.57 114.77 1x6f h LYS 54 Ca 0.11 0.05 0.12 0.00 -0.85 0.00 0.00 60.65 60.08 1x6f h LYS 54 Cb 0.21 0.18 -0.12 0.00 -0.60 0.00 0.00 32.23 31.89 1x6f h LYS 54 CO -0.01 -0.52 -0.26 -2.13 -3.45 0.00 0.00 179.45 173.09 1x6f n ARG 55 N -4.59 -0.14 -2.29 1.90 0.63 0.90 -2.32 116.66 110.75 1x6f n ARG 55 Ca -0.10 1.10 -0.40 0.00 -0.92 0.00 0.00 57.85 57.53 1x6f n ARG 55 Cb 0.35 -1.63 -0.02 0.00 0.45 0.00 0.00 32.46 31.61 1x6f n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x6f n ALA 56 N -3.65 3.41 -3.47 5.13 0.00 -1.11 -4.86 120.51 115.97 1x6f n ALA 56 Ca 0.08 -3.64 -0.15 0.00 0.00 0.00 0.00 53.44 49.73 1x6f n ALA 56 Cb 0.30 -3.57 -0.08 0.00 0.00 0.00 0.00 19.45 16.10 1x6f n ALA 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1x6f s LYS 57 N 4.63 0.78 0.20 0.00 0.00 -0.98 -4.95 119.74 119.42 1x6f s LYS 57 Ca 0.56 0.55 -0.17 0.00 0.00 0.00 0.00 55.97 56.91 1x6f s LYS 57 Cb 0.05 0.37 0.03 0.00 0.00 0.00 0.00 37.83 38.27 1x6f s LYS 57 CO 0.07 -0.16 0.53 0.50 0.00 0.00 0.00 175.35 176.30 1x6f s ARG 58 N -0.27 1.42 -0.77 1.78 6.06 -1.26 -4.97 118.95 120.94 1x6f s ARG 58 Ca -0.04 -0.90 -0.02 0.00 -2.50 0.00 0.00 55.73 52.27 1x6f s ARG 58 Cb -0.03 0.52 0.00 0.00 0.06 0.00 0.00 34.95 35.50 1x6f s ARG 58 CO 0.03 -0.60 0.65 1.04 -2.50 0.00 0.00 175.30 173.92 1x6f n GLN 59 N -0.35 -4.35 -3.15 5.12 1.13 -1.26 -5.02 117.38 109.50 1x6f n GLN 59 Ca -0.09 0.52 0.05 0.00 -1.94 0.00 0.00 57.00 55.54 1x6f n GLN 59 Cb 0.62 -4.59 -0.01 0.00 0.11 0.00 0.00 30.24 26.38 1x6f n GLN 59 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1x6f s GLU 60 N -5.13 0.28 -0.49 -1.09 2.12 -1.26 -5.10 118.70 108.02 1x6f s GLU 60 Ca 0.11 0.39 0.04 0.00 0.36 0.00 0.00 54.97 55.86 1x6f s GLU 60 Cb -0.05 0.20 0.16 0.00 0.26 0.00 0.00 34.13 34.70 1x6f s GLU 60 CO 0.45 -0.41 0.35 -0.98 -0.54 0.00 0.00 175.26 174.13 1x6f s ARG 61 N 2.92 1.35 -0.20 4.30 1.70 -1.26 -5.06 118.95 122.71 1x6f s ARG 61 Ca 0.13 -2.35 -0.04 0.00 -0.47 0.00 0.00 55.73 52.99 1x6f s ARG 61 Cb -0.08 -2.09 0.08 0.00 -0.57 0.00 0.00 34.95 32.29 1x6f s ARG 61 CO -0.19 -1.31 0.18 1.03 -1.08 0.00 0.00 175.30 173.93 1x6f s ARG 62 N -0.21 0.15 0.07 3.89 0.52 -1.26 -5.14 118.95 116.98 1x6f s ARG 62 Ca 0.27 0.08 -0.12 0.00 -0.52 0.00 0.00 55.73 55.44 1x6f s ARG 62 Cb -0.05 -1.40 0.01 0.00 0.52 0.00 0.00 34.95 34.03 1x6f s ARG 62 CO -0.14 -0.68 0.27 0.15 0.02 0.00 0.00 175.30 174.92 1x6f s LYS 63 N 2.26 0.85 0.50 3.54 1.02 -1.26 -5.18 119.74 121.46 1x6f s LYS 63 Ca 0.05 -0.71 0.07 0.00 0.02 0.00 0.00 55.97 55.40 1x6f s LYS 63 Cb -0.16 0.36 0.02 0.00 -0.52 0.00 0.00 37.83 37.53 1x6f s LYS 63 CO -0.12 -0.28 0.43 1.14 -0.92 0.00 0.00 175.35 175.60 1x6f s GLN 64 N -3.21 2.36 0.87 1.68 0.00 -1.26 -5.14 119.66 114.95 1x6f s GLN 64 Ca -0.00 -1.79 -0.11 0.00 -0.00 0.00 0.00 55.36 53.45 1x6f s GLN 64 Cb 0.02 -2.26 0.15 0.00 0.00 0.00 0.00 33.01 30.92 1x6f s GLN 64 CO -0.08 -0.47 1.21 -0.51 0.00 0.00 0.00 175.29 175.44 1x6f s LEU 65 N -4.25 2.75 0.15 2.60 1.43 -1.26 -5.09 118.68 115.00 1x6f s LEU 65 Ca 0.43 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.82 1x6f s LEU 65 Cb -0.03 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1x6f s LEU 65 CO 0.26 -2.33 0.06 -0.76 0.23 0.00 0.00 176.35 173.81 1x6f s LEU 66 N -5.63 3.56 0.46 1.79 1.43 -1.26 -5.13 118.68 113.90 1x6f s LEU 66 Ca 0.69 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 53.65 1x6f s LEU 66 Cb -0.06 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.97 1x6f s LEU 66 CO 0.50 0.10 0.62 -0.94 0.23 0.00 0.00 176.35 176.86 1x6f s SER 67 N -2.85 5.53 0.47 2.29 1.04 -1.26 -5.14 113.70 113.79 1x6f s SER 67 Ca 0.29 -0.49 0.04 0.00 0.48 0.00 0.00 55.95 56.26 1x6f s SER 67 Cb -0.10 -0.47 -0.04 0.00 0.10 0.00 0.00 66.02 65.51 1x6f s SER 67 CO 0.21 -0.89 0.05 -1.59 0.98 0.00 0.00 173.24 171.99 1x6f s LYS 68 N -4.43 2.12 0.24 4.02 0.00 -1.26 -5.17 119.74 115.27 1x6f s LYS 68 Ca 0.56 -2.22 0.01 0.00 0.00 0.00 0.00 55.97 54.32 1x6f s LYS 68 Cb -0.09 -1.65 -0.05 0.00 0.00 0.00 0.00 37.83 36.04 1x6f s LYS 68 CO 0.34 -0.24 0.10 -1.14 0.00 0.00 0.00 175.35 174.41 1x6f s GLN 69 N -3.85 1.35 0.28 1.78 0.74 -1.26 -5.17 119.66 113.53 1x6f s GLN 69 Ca 0.21 -1.72 0.11 0.00 0.05 0.00 0.00 55.36 54.01 1x6f s GLN 69 Cb 0.05 -0.16 -0.05 0.00 1.10 0.00 0.00 33.01 33.95 1x6f s GLN 69 CO 0.11 -0.30 -0.12 0.21 -0.55 0.00 0.00 175.29 174.64 1x6f s LYS 70 N -4.05 1.93 0.29 1.67 2.20 -1.26 -5.15 119.74 115.37 1x6f s LYS 70 Ca 0.37 -1.64 -0.12 0.00 -0.36 0.00 0.00 55.97 54.22 1x6f s LYS 70 Cb 0.08 -1.92 0.01 0.00 -1.51 0.00 0.00 37.83 34.48 1x6f s LYS 70 CO 0.13 0.33 0.55 1.52 -0.36 0.00 0.00 175.35 177.52 1x6f s TYR 71 N -2.44 0.39 0.30 4.03 1.13 -1.26 -5.19 117.35 114.31 1x6f s TYR 71 Ca 0.31 -0.78 0.03 0.00 -1.41 0.00 0.00 57.07 55.22 1x6f s TYR 71 Cb -0.05 0.29 -0.06 0.00 -1.10 0.00 0.00 41.96 41.04 1x6f s TYR 71 CO 0.17 -1.12 0.08 0.00 -2.51 0.00 0.00 175.55 172.17 1x6f s ALA 72 N -3.63 2.13 0.38 9.51 0.00 -1.26 -5.17 121.76 123.72 1x6f s ALA 72 Ca 0.22 -1.93 0.04 0.00 0.00 0.00 0.00 51.96 50.29 1x6f s ALA 72 Cb -0.02 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 1x6f s ALA 72 CO 0.11 -0.38 0.07 0.16 0.00 0.00 0.00 175.76 175.73 1x6f s ASP 73 N -3.42 2.83 0.27 0.00 1.47 -1.26 -5.17 116.67 111.39 1x6f s ASP 73 Ca 0.36 -1.52 -0.05 0.00 1.18 0.00 0.00 52.55 52.53 1x6f s ASP 73 Cb 0.08 0.19 -0.01 0.00 -0.34 0.00 0.00 42.92 42.83 1x6f s ASP 73 CO 0.15 -0.75 0.37 -0.83 0.68 0.00 0.00 175.17 174.79 1x6f s GLY 74 N -3.59 1.23 0.41 2.12 0.00 -1.26 -5.18 107.32 101.04 1x6f s GLY 74 Ca 0.28 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.64 1x6f s GLY 74 CO 0.14 -1.02 0.12 0.00 0.00 0.00 0.00 173.10 172.33 1x6f s ALA 75 N -3.69 2.95 0.28 3.20 0.00 -1.26 -5.18 121.76 118.06 1x6f s ALA 75 Ca 0.31 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 1x6f s ALA 75 Cb 0.02 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1x6f s ALA 75 CO 0.15 -0.32 0.49 -0.59 0.00 0.00 0.00 175.76 175.50 1x6f s PHE 76 N -3.20 0.53 0.27 0.00 -0.12 -1.26 -5.19 117.98 109.01 1x6f s PHE 76 Ca 0.24 -0.88 -0.21 0.00 -0.05 0.00 0.00 56.93 56.02 1x6f s PHE 76 Cb 0.03 0.16 0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1x6f s PHE 76 CO 0.14 -1.07 0.78 0.00 -0.05 0.00 0.00 175.22 175.03 1x6f s ALA 77 N -3.66 -1.24 0.32 1.99 0.00 -1.26 -5.19 121.76 112.72 1x6f s ALA 77 Ca 0.24 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1x6f s ALA 77 Cb -0.01 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 1x6f s ALA 77 CO 0.12 -1.03 0.34 0.16 0.00 0.00 0.00 175.76 175.34 1x6f s ASP 78 N -2.96 1.24 0.19 0.00 -4.77 -1.26 -5.19 116.67 103.93 1x6f s ASP 78 Ca 0.12 -1.62 -0.14 0.00 -3.30 0.00 0.00 52.55 47.62 1x6f s ASP 78 Cb -0.05 0.58 0.01 0.00 -1.09 0.00 0.00 42.92 42.37 1x6f s ASP 78 CO 0.07 -1.13 0.43 -0.36 0.70 0.00 0.00 175.17 174.88 1x6f s PHE 79 N -3.37 0.12 0.94 2.11 0.08 -1.26 -5.17 117.98 111.43 1x6f s PHE 79 Ca 0.37 -0.48 -0.12 0.00 0.12 0.00 0.00 56.93 56.82 1x6f s PHE 79 Cb 0.02 0.21 0.15 0.00 -0.57 0.00 0.00 43.02 42.83 1x6f s PHE 79 CO 0.23 -0.86 1.11 0.21 -0.10 0.00 0.00 175.22 175.82 1x6f s LYS 80 N -3.92 0.92 -0.12 0.44 2.20 -1.26 -5.02 119.74 112.98 1x6f s LYS 80 Ca 0.14 0.43 -0.08 0.00 -0.36 0.00 0.00 55.97 56.09 1x6f s LYS 80 Cb 0.01 -1.80 -0.07 0.00 -1.51 0.00 0.00 37.83 34.46 1x6f s LYS 80 CO -0.00 -2.37 0.15 1.96 -0.36 0.00 0.00 175.35 174.72 1x6f h GLN 81 N -1.63 0.00 -5.45 4.03 4.20 -2.09 -3.48 115.11 110.68 1x6f h GLN 81 Ca -0.52 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 57.83 1x6f h GLN 81 Cb 1.32 0.00 0.13 0.00 0.30 0.00 0.00 27.48 29.24 1x6f h GLN 81 CO 0.60 0.25 -0.64 -1.91 -0.67 0.00 0.00 178.83 176.46 1x6f n GLU 82 N -4.71 -7.20 -1.24 1.46 0.00 -1.26 -4.95 120.64 102.74 1x6f n GLU 82 Ca -0.04 0.77 -0.34 0.00 0.00 0.00 0.00 57.16 57.54 1x6f n GLU 82 Cb 0.16 -5.62 0.11 0.00 0.00 0.00 0.00 31.44 26.10 1x6f n GLU 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1x6f s SER 83 N -3.43 3.81 0.00 4.31 0.15 -1.26 -5.00 113.70 112.27 1x6f s SER 83 Ca 0.47 2.40 0.00 0.00 0.70 0.00 0.00 55.95 59.52 1x6f s SER 83 Cb -0.21 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 1x6f s SER 83 CO 0.67 -2.53 0.00 0.61 1.20 0.00 0.00 173.24 173.20 1x6f n GLY 84 N 0.53 -2.08 3.75 9.45 0.00 -1.26 -5.17 105.19 110.41 1x6f n GLY 84 Ca 0.14 1.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.85 1x6f n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6f s PRO 85 N 0.00 1.95 -0.28 1.61 0.04 -1.26 -5.08 135.00 131.98 1x6f s PRO 85 Ca 0.00 1.06 -0.21 0.00 0.04 0.00 0.00 61.00 61.89 1x6f s PRO 85 Cb 0.00 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.76 1x6f s PRO 85 CO 0.00 -1.83 0.81 -1.12 0.04 0.00 0.00 177.00 174.90 1x6f s SER 86 N -3.40 -0.71 -0.07 6.66 0.01 -1.26 -5.17 113.70 109.76 1x6f s SER 86 Ca 0.62 1.26 -0.06 0.00 1.31 0.00 0.00 55.95 59.08 1x6f s SER 86 Cb -0.17 1.29 0.02 0.00 0.21 0.00 0.00 66.02 67.36 1x6f s SER 86 CO 0.56 -0.21 0.18 -0.44 0.41 0.00 0.00 173.24 173.74 1x6f s SER 87 N 0.81 -0.19 0.00 2.44 0.01 -1.26 -5.38 113.70 110.14 1x6f s SER 87 Ca -0.03 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1x6f s SER 87 Cb -0.05 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1x6f s SER 87 CO -0.08 -0.07 0.28 0.61 0.41 0.00 0.00 173.24 174.39