#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 0.57 0.23 1.61 0.01 -1.26 -5.15 113.70 109.71 1x6f s SER 2 Ca 0.00 -0.09 -0.15 0.00 1.31 0.00 0.00 55.95 57.02 1x6f s SER 2 Cb 0.00 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.17 1x6f s SER 2 CO 0.00 0.06 0.52 -0.94 0.41 0.00 0.00 173.24 173.29 1x6f s SER 3 N -0.10 -0.16 0.00 2.44 1.04 -1.26 -5.17 113.70 110.49 1x6f s SER 3 Ca 0.02 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1x6f s SER 3 Cb -0.02 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1x6f s SER 3 CO -0.00 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.70 1x6f n GLY 4 N -0.37 0.60 3.16 7.32 0.00 -1.26 -5.14 105.19 109.50 1x6f n GLY 4 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1x6f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6f s SER 5 N -1.00 0.08 0.31 1.61 0.01 -1.26 -5.18 113.70 108.28 1x6f s SER 5 Ca 0.00 -0.44 0.10 0.00 1.31 0.00 0.00 55.95 56.92 1x6f s SER 5 Cb 0.00 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 66.45 1x6f s SER 5 CO 0.00 -0.56 -0.10 -0.55 0.41 0.00 0.00 173.24 172.44 1x6f s SER 6 N -2.18 3.88 0.52 2.44 0.15 -1.26 -5.16 113.70 112.10 1x6f s SER 6 Ca -0.04 -1.02 0.01 0.00 0.70 0.00 0.00 55.95 55.59 1x6f s SER 6 Cb -0.00 -0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 63.87 1x6f s SER 6 CO -0.05 -0.10 0.00 -0.83 1.20 0.00 0.00 173.24 173.47 1x6f s GLY 7 N -3.60 3.08 0.65 9.45 0.00 -1.26 -5.16 107.32 110.48 1x6f s GLY 7 Ca 0.32 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.88 1x6f s GLY 7 CO 0.17 -2.21 0.90 1.08 0.00 0.00 0.00 173.10 173.04 1x6f s LEU 8 N -3.90 3.08 0.36 0.66 1.43 -1.26 -5.11 118.68 113.94 1x6f s LEU 8 Ca 0.03 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1x6f s LEU 8 Cb 0.01 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 1x6f s LEU 8 CO 0.01 -1.60 0.55 -0.54 0.23 0.00 0.00 176.35 175.01 1x6f s LYS 9 N -4.97 3.33 0.20 1.70 3.01 -1.26 -5.12 119.74 116.64 1x6f s LYS 9 Ca 0.63 -0.49 -0.11 0.00 -1.01 0.00 0.00 55.97 54.99 1x6f s LYS 9 Cb -0.07 -2.68 -0.00 0.00 -1.01 0.00 0.00 37.83 34.08 1x6f s LYS 9 CO 0.42 0.06 0.39 1.03 0.51 0.00 0.00 175.35 177.76 1x6f s ARG 10 N -4.33 1.33 0.29 1.68 0.52 -1.26 -5.19 118.95 111.99 1x6f s ARG 10 Ca 0.42 -1.16 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 1x6f s ARG 10 Cb -0.10 0.43 -0.05 0.00 0.52 0.00 0.00 34.95 35.75 1x6f s ARG 10 CO 0.35 -0.53 0.09 -0.51 0.02 0.00 0.00 175.30 174.73 1x6f s ASP 11 N -2.98 1.62 0.19 0.23 1.01 -1.26 -5.16 116.67 110.33 1x6f s ASP 11 Ca 0.18 -1.40 0.04 0.00 0.71 0.00 0.00 52.55 52.09 1x6f s ASP 11 Cb 0.01 0.11 -0.03 0.00 1.01 0.00 0.00 42.92 44.02 1x6f s ASP 11 CO 0.03 -0.71 0.27 0.72 0.21 0.00 0.00 175.17 175.69 1x6f s PHE 12 N -3.59 3.36 0.27 4.23 -0.12 -1.26 -5.08 117.98 115.79 1x6f s PHE 12 Ca 0.37 0.02 -0.29 0.00 -0.05 0.00 0.00 56.93 56.97 1x6f s PHE 12 Cb 0.08 -1.57 -0.09 0.00 -0.63 0.00 0.00 43.02 40.80 1x6f s PHE 12 CO 0.14 0.50 1.25 -1.50 -0.05 0.00 0.00 175.22 175.56 1x6f s ILE 13 N -1.87 3.11 -0.18 -4.49 2.07 -1.26 -5.00 121.20 113.58 1x6f s ILE 13 Ca 0.33 1.03 -0.18 0.00 -1.41 0.00 0.00 60.65 60.42 1x6f s ILE 13 Cb -0.10 -3.66 -0.03 0.00 0.13 0.00 0.00 42.46 38.80 1x6f s ILE 13 CO 0.27 0.21 0.51 -0.63 -1.91 0.00 0.00 174.94 173.40 1x6f s ILE 14 N -0.66 5.12 0.24 2.00 1.09 -1.26 -5.03 121.20 122.70 1x6f s ILE 14 Ca 0.51 0.96 -0.31 0.00 -1.10 0.00 0.00 60.65 60.71 1x6f s ILE 14 Cb -0.36 -3.84 -0.11 0.00 -1.06 0.00 0.00 42.46 37.08 1x6f s ILE 14 CO 0.44 0.21 1.62 -0.76 -0.10 0.00 0.00 174.94 176.34 1x6f s LEU 15 N 1.44 4.36 0.00 2.97 1.43 -1.26 -5.00 118.68 122.62 1x6f s LEU 15 Ca 0.25 2.85 -0.04 0.00 -1.03 0.00 0.00 54.13 56.16 1x6f s LEU 15 Cb -0.15 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.51 1x6f s LEU 15 CO 0.10 -0.90 0.24 0.61 0.23 0.00 0.00 176.35 176.63 1x6f n GLY 16 N 2.96 -2.08 3.57 -3.19 0.00 -1.26 -4.89 105.19 100.30 1x6f n GLY 16 Ca 0.11 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1x6f n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6f s ASN 17 N -2.07 6.65 0.17 1.61 4.22 -1.26 -4.97 114.94 119.29 1x6f s ASN 17 Ca 0.15 -1.99 -0.32 0.00 -2.14 0.00 0.00 52.86 48.55 1x6f s ASN 17 Cb -0.01 -2.58 -0.16 0.00 1.28 0.00 0.00 41.25 39.78 1x6f s ASN 17 CO 0.11 -1.36 0.96 0.61 -2.04 0.00 0.00 177.10 175.37 1x6f n GLY 18 N 6.05 -0.52 3.55 0.45 0.00 -1.26 -4.79 105.19 108.67 1x6f n GLY 18 Ca 0.42 0.48 -0.36 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.67 2.61 0.03 1.61 0.04 -1.26 -4.85 135.00 132.51 1x6f s PRO 19 Ca 0.71 0.45 -0.24 0.00 0.04 0.00 0.00 61.00 61.97 1x6f s PRO 19 Cb -0.91 -4.51 -0.17 0.00 0.04 0.00 0.00 34.50 28.95 1x6f s PRO 19 CO 0.55 -2.85 1.47 0.00 0.04 0.00 0.00 177.00 176.21 1x6f h ARG 20 N 14.35 0.07 -6.42 4.56 3.08 -2.04 -3.42 114.38 124.56 1x6f h ARG 20 Ca -0.20 -0.02 -0.54 0.00 0.07 0.00 0.00 59.98 59.29 1x6f h ARG 20 Cb 1.14 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1x6f h ARG 20 CO 1.22 0.34 0.58 -0.51 -1.07 0.00 0.00 179.97 180.53 1x6f s LEU 21 N -9.59 4.34 1.11 3.04 1.43 -1.26 -5.03 118.68 112.72 1x6f s LEU 21 Ca -0.15 1.91 -0.18 0.00 -1.03 0.00 0.00 54.13 54.68 1x6f s LEU 21 Cb 0.04 -3.57 0.25 0.00 0.03 0.00 0.00 46.19 42.94 1x6f s LEU 21 CO 0.68 -0.48 1.18 -1.10 0.23 0.00 0.00 176.35 176.87 1x6f s GLN 22 N 1.41 -0.55 -0.30 1.70 1.11 -1.26 -5.01 119.66 116.78 1x6f s GLN 22 Ca 0.57 -0.18 0.09 0.00 0.01 0.00 0.00 55.36 55.85 1x6f s GLN 22 Cb -0.27 -1.69 0.46 0.00 -1.01 0.00 0.00 33.01 30.51 1x6f s GLN 22 CO 0.27 -3.24 1.17 -1.71 0.01 0.00 0.00 175.29 171.79 1x6f n ASN 23 N -4.40 4.45 -4.45 5.90 2.85 -1.26 -4.95 115.26 113.40 1x6f n ASN 23 Ca 0.14 -3.52 -0.40 0.00 -0.11 0.00 0.00 54.58 50.69 1x6f n ASN 23 Cb 0.59 -0.37 -0.07 0.00 1.24 0.00 0.00 39.78 41.18 1x6f n ASN 23 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1x6f n SER 24 N -0.67 -1.99 -4.41 1.20 2.88 -1.26 -4.81 113.62 104.54 1x6f n SER 24 Ca 0.39 -1.19 -0.30 0.00 -1.33 0.00 0.00 58.87 56.44 1x6f n SER 24 Cb 0.93 -1.90 0.23 0.00 -0.75 0.00 0.00 64.21 62.72 1x6f n SER 24 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1x6f n THR 25 N -4.18 0.00 -4.19 2.46 -2.24 -1.26 -4.70 114.28 100.17 1x6f n THR 25 Ca 0.07 -0.39 -0.34 0.00 -2.27 0.00 0.00 64.05 61.12 1x6f n THR 25 Cb 0.48 -0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 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 -2.36 2.93 -0.81 4.78 1.51 0.11 -4.88 117.35 118.64 1x6f s TYR 26 Ca 0.65 -0.78 -0.23 0.00 -1.01 0.00 0.00 57.07 55.70 1x6f s TYR 26 Cb -0.21 -2.02 0.07 0.00 -0.11 0.00 0.00 41.96 39.69 1x6f s TYR 26 CO 0.65 -0.39 1.17 -1.14 -1.11 0.00 0.00 175.55 174.73 1x6f s GLN 27 N 1.04 3.33 -0.17 -0.62 -0.44 -1.26 -1.78 119.66 119.76 1x6f s GLN 27 Ca 0.00 -0.96 -0.28 0.00 -2.50 0.00 0.00 55.36 51.62 1x6f s GLN 27 Cb -0.15 -4.59 -0.06 0.00 -1.64 0.00 0.00 33.01 26.57 1x6f s GLN 27 CO -0.00 -1.96 2.18 0.00 0.50 0.00 0.00 175.29 176.00 1x6f n LYS 29 N 8.51 0.98 -0.11 0.00 0.00 -1.26 -0.27 118.16 126.01 1x6f n LYS 29 Ca 0.28 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.35 1x6f n LYS 29 Cb 0.44 -1.20 -0.08 0.00 -0.00 0.00 0.00 35.03 34.19 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 0.01 5.58 8.25 -1.26 -4.73 115.22 122.78 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 0.10 -0.81 0.01 0.00 1.12 0.00 0.00 29.99 30.41 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 -0.20 -5.05 -3.22 0.00 9.92 0.63 -5.01 116.55 113.61 1x6f n ASP 32 Ca 0.00 -0.49 -0.09 0.00 -0.53 0.00 0.00 54.79 53.68 1x6f n ASP 32 Cb 0.14 -4.54 0.02 0.00 -0.64 0.00 0.00 41.12 36.09 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 -2.59 1.03 -3.89 -2.24 2.88 -1.19 -4.86 113.62 102.75 1x6f n SER 33 Ca -0.05 -1.67 -0.18 0.00 -1.33 0.00 0.00 58.87 55.64 1x6f n SER 33 Cb 0.57 -0.15 -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 -3.07 0.62 0.19 -1.46 1.02 -1.26 -1.74 119.74 114.04 1x6f s LYS 34 Ca 0.23 -0.08 0.09 0.00 0.02 0.00 0.00 55.97 56.23 1x6f s LYS 34 Cb -0.02 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.59 1x6f s LYS 34 CO 0.15 -0.04 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.84 1x6f s LEU 35 N 0.69 2.48 0.19 3.17 1.02 -0.74 -4.89 118.68 120.60 1x6f s LEU 35 Ca -0.08 -0.92 -0.10 0.00 0.02 0.00 0.00 54.13 53.05 1x6f s LEU 35 Cb -0.12 -0.86 0.11 0.00 0.02 0.00 0.00 46.19 45.35 1x6f s LEU 35 CO -0.00 -0.04 1.73 0.06 0.02 0.00 0.00 176.35 178.12 1x6f h GLN 36 N 2.96 1.06 -1.77 1.70 3.07 -1.90 0.32 115.11 120.54 1x6f h GLN 36 Ca -0.41 -0.22 0.31 0.00 0.09 0.00 0.00 58.65 58.42 1x6f h GLN 36 Cb 1.22 -0.16 -0.10 0.00 0.08 0.00 0.00 27.48 28.52 1x6f h GLN 36 CO 0.54 0.90 0.80 0.45 0.09 0.00 0.00 178.83 181.62 1x6f s SER 37 N -6.29 -0.04 0.25 0.06 0.15 -1.26 -4.14 113.70 102.42 1x6f s SER 37 Ca -0.12 -0.22 -0.11 0.00 0.70 0.00 0.00 55.95 56.19 1x6f s SER 37 Cb 0.14 0.21 0.36 0.00 -1.71 0.00 0.00 66.02 65.03 1x6f s SER 37 CO 0.83 -0.40 1.57 0.74 1.20 0.00 0.00 173.24 177.18 1x6f h THR 38 N 2.00 0.08 -0.79 6.45 2.02 -1.93 0.36 112.91 121.10 1x6f h THR 38 Ca -0.28 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.23 1x6f h THR 38 Cb 1.20 0.08 -0.14 0.00 -1.74 0.00 0.00 68.15 67.55 1x6f h THR 38 CO 0.30 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.59 1x6f n ALA 39 N -3.47 0.79 0.08 6.16 0.00 -1.26 0.23 120.51 123.03 1x6f n ALA 39 Ca 0.13 0.80 -0.18 0.00 0.00 0.00 0.00 53.44 54.19 1x6f n ALA 39 Cb 0.44 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.96 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 0.30 -0.42 0.00 5.08 -0.70 -3.35 114.58 115.50 1x6f h GLU 40 Ca 0.66 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1x6f h GLU 40 Cb 1.74 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 31.16 1x6f h GLU 40 CO -0.61 1.19 0.23 1.25 -1.00 0.00 0.00 179.01 180.07 1x6f h LEU 41 N 0.08 0.53 -1.28 1.33 5.85 0.32 0.31 115.31 122.45 1x6f h LEU 41 Ca -0.24 -0.09 0.26 0.00 0.84 0.00 0.00 57.88 58.65 1x6f h LEU 41 Cb 2.04 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 42.83 1x6f h LEU 41 CO 0.18 0.47 0.65 0.74 -0.34 0.00 0.00 178.44 180.14 1x6f h THR 42 N 0.54 0.52 0.09 1.05 2.02 -0.61 0.31 112.91 116.84 1x6f h THR 42 Ca 0.15 -0.15 -0.34 0.00 0.77 0.00 0.00 66.41 66.84 1x6f h THR 42 Cb 0.06 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 1x6f h THR 42 CO -0.02 0.08 -1.88 -1.28 0.37 0.00 0.00 175.52 172.79 1x6f h SER 43 N 0.44 0.31 0.76 4.18 0.87 -1.59 -3.32 113.55 115.20 1x6f h SER 43 Ca 0.61 -0.67 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 1x6f h SER 43 Cb 1.45 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 63.32 1x6f h SER 43 CO -0.34 1.60 -0.37 -0.74 -0.53 0.00 0.00 176.83 176.46 1x6f h HIS 44 N 0.05 -0.95 -0.77 2.24 6.17 0.11 -3.12 115.15 118.89 1x6f h HIS 44 Ca -0.37 -0.02 0.17 0.00 0.71 0.00 0.00 60.37 60.86 1x6f h HIS 44 Cb 2.03 0.31 -0.14 0.00 2.52 0.00 0.00 27.41 32.14 1x6f h HIS 44 CO 0.06 -0.59 -0.02 -0.07 0.71 0.00 0.00 177.93 178.02 1x6f h LEU 45 N -1.09 -0.39 -1.00 0.26 3.38 -0.68 0.15 115.31 115.94 1x6f h LEU 45 Ca -0.10 0.20 0.36 0.00 0.09 0.00 0.00 57.88 58.43 1x6f h LEU 45 Cb 0.79 0.37 -0.18 0.00 0.09 0.00 0.00 40.66 41.72 1x6f h LEU 45 CO 0.17 -0.20 0.34 0.78 0.09 0.00 0.00 178.44 179.63 1x6f h ASN 46 N 0.09 0.02 -0.49 -0.43 2.35 -1.64 0.63 115.58 116.10 1x6f h ASN 46 Ca 0.42 0.27 0.09 0.00 -0.55 0.00 0.00 56.30 56.53 1x6f h ASN 46 Cb 0.73 0.35 -0.08 0.00 0.05 0.00 0.00 38.32 39.37 1x6f h ASN 46 CO -0.69 -0.40 0.01 0.40 -1.65 0.00 0.00 177.43 175.10 1x6f h ILE 47 N 0.01 0.63 -0.32 2.81 2.04 -0.72 -1.42 117.51 120.53 1x6f h ILE 47 Ca 0.75 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.62 1x6f h ILE 47 Cb 1.84 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 1x6f h ILE 47 CO -0.83 0.02 0.01 0.45 0.00 0.00 0.00 178.15 177.81 1x6f h HIS 48 N 0.13 0.01 0.45 1.37 3.86 0.18 -1.96 115.15 119.18 1x6f h HIS 48 Ca 0.25 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 1x6f h HIS 48 Cb 0.37 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1x6f h HIS 48 CO -0.30 -0.04 -0.41 -0.91 0.86 0.00 0.00 177.93 177.13 1x6f h ASN 49 N 0.11 -1.10 -0.85 2.45 2.35 -1.15 -2.21 115.58 115.17 1x6f h ASN 49 Ca 0.15 0.08 0.18 0.00 -0.55 0.00 0.00 56.30 56.17 1x6f h ASN 49 Cb 0.20 0.36 -0.16 0.00 0.05 0.00 0.00 38.32 38.77 1x6f h ASN 49 CO -0.25 -0.55 -0.15 -0.33 -1.65 0.00 0.00 177.43 174.50 1x6f h GLU 50 N -0.84 0.02 -0.74 0.81 4.39 -1.16 0.45 114.58 117.51 1x6f h GLU 50 Ca -0.06 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.75 1x6f h GLU 50 Cb 0.72 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.28 1x6f h GLU 50 CO -0.03 0.01 0.35 0.93 -1.16 0.00 0.00 179.01 179.11 1x6f h GLU 51 N 0.02 0.54 -0.40 2.33 5.08 -1.04 -1.76 114.58 119.35 1x6f h GLU 51 Ca 0.43 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.83 1x6f h GLU 51 Cb 0.71 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1x6f h GLU 51 CO -0.85 0.36 0.00 0.35 -1.00 0.00 0.00 179.01 177.87 1x6f h PHE 52 N 0.56 -0.02 -0.75 4.33 3.57 0.51 -2.19 116.94 122.94 1x6f h PHE 52 Ca 0.38 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.99 1x6f h PHE 52 Cb 0.47 0.07 -0.11 0.00 2.79 0.00 0.00 35.95 39.17 1x6f h PHE 52 CO -0.12 -0.08 -0.55 0.37 -2.23 0.00 0.00 178.31 175.70 1x6f h GLN 53 N 0.11 -0.16 -0.19 1.11 -0.00 -0.98 -0.10 115.11 114.90 1x6f h GLN 53 Ca 0.20 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.89 1x6f h GLN 53 Cb 0.28 0.04 -0.04 0.00 0.00 0.00 0.00 27.48 27.76 1x6f h GLN 53 CO -0.33 -0.10 -0.05 0.87 0.00 0.00 0.00 178.83 179.22 1x6f h LYS 54 N -0.16 -0.01 -0.95 1.69 1.79 -1.48 -2.07 116.57 115.38 1x6f h LYS 54 Ca 0.15 0.00 0.30 0.00 -2.18 0.00 0.00 60.65 58.91 1x6f h LYS 54 Cb 0.51 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.00 1x6f h LYS 54 CO -0.80 -0.01 0.36 0.00 -1.08 0.00 0.00 179.45 177.93 1x6f h ARG 55 N -0.01 0.18 -1.29 3.15 3.08 -0.44 0.16 114.38 119.21 1x6f h ARG 55 Ca 0.09 -0.01 0.40 0.00 0.07 0.00 0.00 59.98 60.53 1x6f h ARG 55 Cb 0.15 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 1x6f h ARG 55 CO -0.20 0.12 0.90 0.00 -1.07 0.00 0.00 179.97 179.72 1x6f n ALA 56 N -2.57 1.25 -2.75 0.04 0.00 -0.64 -2.26 120.51 113.59 1x6f n ALA 56 Ca 0.27 0.55 -0.43 0.00 0.00 0.00 0.00 53.44 53.83 1x6f n ALA 56 Cb 0.88 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1x6f n ALA 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x6f n LYS 57 N -3.71 3.44 -0.06 0.00 4.76 0.55 -4.75 118.16 118.38 1x6f n LYS 57 Ca 0.32 -3.73 -0.07 0.00 -2.87 0.00 0.00 58.31 51.95 1x6f n LYS 57 Cb 1.37 -3.02 -0.06 0.00 -1.84 0.00 0.00 35.03 31.47 1x6f n LYS 57 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 1x6f h ARG 58 N 6.73 0.00 -6.90 1.97 0.11 -1.73 -3.47 114.38 111.09 1x6f h ARG 58 Ca 0.35 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.85 1x6f h ARG 58 Cb 0.80 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 31.57 1x6f h ARG 58 CO 1.37 0.46 -0.85 1.04 0.10 0.00 0.00 179.97 182.08 1x6f n GLN 59 N -4.68 -0.79 -2.58 0.08 1.13 -1.26 -4.90 117.38 104.38 1x6f n GLN 59 Ca -0.06 0.12 -0.23 0.00 -1.94 0.00 0.00 57.00 54.88 1x6f n GLN 59 Cb 0.25 -4.06 0.10 0.00 0.11 0.00 0.00 30.24 26.64 1x6f n GLN 59 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1x6f s GLU 60 N -6.84 1.80 0.13 -1.09 0.41 -1.26 -4.97 118.70 106.87 1x6f s GLU 60 Ca 0.56 -1.04 -0.20 0.00 -0.41 0.00 0.00 54.97 53.88 1x6f s GLU 60 Cb -0.33 -2.34 0.01 0.00 -1.78 0.00 0.00 34.13 29.69 1x6f s GLU 60 CO 0.94 -1.35 1.11 -2.13 -0.49 0.00 0.00 175.26 173.34 1x6f n ARG 61 N -2.78 -0.28 0.04 1.61 0.63 -1.26 -4.47 116.66 110.16 1x6f n ARG 61 Ca 0.14 1.09 0.00 0.00 -0.92 0.00 0.00 57.85 58.16 1x6f n ARG 61 Cb 0.60 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.91 1x6f n ARG 61 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1x6f n ARG 62 N -4.94 0.00 -3.61 -0.14 0.63 -1.26 -5.01 116.66 102.33 1x6f n ARG 62 Ca 0.03 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.73 1x6f n ARG 62 Cb 0.21 -0.06 -0.06 0.00 0.45 0.00 0.00 32.46 33.00 1x6f n ARG 62 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1x6f n LYS 63 N -2.86 -0.91 -4.26 -0.14 3.00 -1.26 -4.88 118.16 106.86 1x6f n LYS 63 Ca 0.00 0.07 -0.20 0.00 -0.00 0.00 0.00 58.31 58.18 1x6f n LYS 63 Cb 0.00 -2.60 -0.11 0.00 0.00 0.00 0.00 35.03 32.31 1x6f n LYS 63 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1x6f s GLN 64 N -5.56 1.07 -0.12 1.64 -1.52 -1.26 -4.96 119.66 108.95 1x6f s GLN 64 Ca 0.20 -1.22 -0.08 0.00 -1.95 0.00 0.00 55.36 52.31 1x6f s GLN 64 Cb -0.12 -1.07 0.04 0.00 -0.22 0.00 0.00 33.01 31.64 1x6f s GLN 64 CO 0.66 0.22 0.29 -0.48 -0.25 0.00 0.00 175.29 175.73 1x6f s LEU 65 N -2.30 0.52 0.17 2.90 0.05 -1.26 -5.17 118.68 113.60 1x6f s LEU 65 Ca 0.08 0.61 0.07 0.00 0.05 0.00 0.00 54.13 54.95 1x6f s LEU 65 Cb -0.07 0.95 -0.04 0.00 -2.05 0.00 0.00 46.19 44.98 1x6f s LEU 65 CO 0.04 -0.14 -0.15 -0.76 -0.55 0.00 0.00 176.35 174.78 1x6f s LEU 66 N 0.83 2.49 1.09 1.48 1.43 -1.26 -5.15 118.68 119.59 1x6f s LEU 66 Ca -0.06 -0.93 -0.13 0.00 -1.03 0.00 0.00 54.13 51.99 1x6f s LEU 66 Cb -0.07 -0.67 0.24 0.00 0.03 0.00 0.00 46.19 45.73 1x6f s LEU 66 CO -0.06 -0.14 1.06 -0.44 0.23 0.00 0.00 176.35 177.01 1x6f s SER 67 N -2.95 1.75 0.00 2.29 0.01 -1.26 -5.03 113.70 108.51 1x6f s SER 67 Ca 0.17 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.73 1x6f s SER 67 Cb -0.03 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1x6f s SER 67 CO 0.06 -3.69 0.00 0.29 0.41 0.00 0.00 173.24 170.30 1x6f n LYS 68 N -4.56 0.00 -3.83 12.44 4.01 -1.26 -5.05 118.16 119.92 1x6f n LYS 68 Ca 0.04 0.20 -0.12 0.00 -0.51 0.00 0.00 58.31 57.92 1x6f n LYS 68 Cb 0.56 -0.64 -0.11 0.00 -0.51 0.00 0.00 35.03 34.33 1x6f n LYS 68 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1x6f s GLN 69 N -0.75 0.39 -0.29 1.97 -0.21 -1.26 -5.04 119.66 114.47 1x6f s GLN 69 Ca 0.00 -0.06 -0.01 0.00 0.02 0.00 0.00 55.36 55.32 1x6f s GLN 69 Cb 0.00 0.17 0.21 0.00 1.00 0.00 0.00 33.01 34.39 1x6f s GLN 69 CO 0.00 -0.08 1.97 1.63 -2.12 0.00 0.00 175.29 176.68 1x6f n LYS 70 N 2.13 1.74 -3.80 2.91 5.02 -1.26 -4.87 118.16 120.03 1x6f n LYS 70 Ca -0.18 -1.46 -0.03 0.00 -2.02 0.00 0.00 58.31 54.62 1x6f n LYS 70 Cb 0.57 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1x6f n LYS 70 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1x6f s TYR 71 N -1.69 -0.03 -0.13 2.13 5.04 -1.26 -5.17 117.35 116.23 1x6f s TYR 71 Ca 0.29 -0.32 -0.06 0.00 -2.44 0.00 0.00 57.07 54.53 1x6f s TYR 71 Cb 0.23 0.67 0.06 0.00 0.35 0.00 0.00 41.96 43.27 1x6f s TYR 71 CO 0.00 -0.89 0.30 0.00 -1.34 0.00 0.00 175.55 173.62 1x6f s ALA 72 N -2.77 -0.70 -0.13 3.97 0.00 -1.26 -5.05 121.76 115.82 1x6f s ALA 72 Ca 0.16 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 1x6f s ALA 72 Cb -0.02 -0.86 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 1x6f s ALA 72 CO 0.04 -0.38 -0.16 -3.47 0.00 0.00 0.00 175.76 171.79 1x6f n ASP 73 N 4.65 1.12 0.00 0.00 2.03 -1.26 -5.14 116.55 117.94 1x6f n ASP 73 Ca -0.18 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1x6f n ASP 73 Cb 0.52 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1x6f n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6f n GLY 74 N 2.28 -0.85 3.64 0.27 0.00 -1.26 -5.13 105.19 104.14 1x6f n GLY 74 Ca -0.25 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.70 -2.18 0.85 4.61 0.00 -1.26 -5.18 121.76 117.89 1x6f s ALA 75 Ca 0.00 1.83 -0.10 0.00 0.00 0.00 0.00 51.96 53.69 1x6f s ALA 75 Cb 0.00 -1.67 0.15 0.00 0.00 0.00 0.00 23.12 21.60 1x6f s ALA 75 CO 0.00 -0.19 1.17 0.12 0.00 0.00 0.00 175.76 176.86 1x6f s PHE 76 N 0.31 1.81 -0.10 0.00 5.36 -1.26 -5.11 117.98 119.00 1x6f s PHE 76 Ca 0.03 0.16 -0.05 0.00 -0.96 0.00 0.00 56.93 56.11 1x6f s PHE 76 Cb -0.05 -3.62 0.05 0.00 -0.34 0.00 0.00 43.02 39.06 1x6f s PHE 76 CO -0.12 -2.16 0.22 0.00 -1.46 0.00 0.00 175.22 171.71 1x6f s ALA 77 N -3.56 -0.48 0.62 11.12 0.00 -1.26 -5.16 121.76 123.04 1x6f s ALA 77 Ca 0.69 0.91 -0.05 0.00 0.00 0.00 0.00 51.96 53.51 1x6f s ALA 77 Cb -0.05 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.43 1x6f s ALA 77 CO 0.49 -0.27 0.91 0.16 0.00 0.00 0.00 175.76 177.06 1x6f s ASP 78 N 1.45 5.29 -0.04 0.00 -4.77 -1.26 -5.11 116.67 112.23 1x6f s ASP 78 Ca -0.07 0.51 -0.07 0.00 -3.30 0.00 0.00 52.55 49.62 1x6f s ASP 78 Cb -0.11 -1.38 0.01 0.00 -1.09 0.00 0.00 42.92 40.35 1x6f s ASP 78 CO -0.08 -1.24 0.16 0.72 0.70 0.00 0.00 175.17 175.43 1x6f s PHE 79 N -3.03 -0.11 -0.08 2.11 -0.12 -1.26 -5.16 117.98 110.33 1x6f s PHE 79 Ca 0.56 0.24 -0.20 0.00 -0.05 0.00 0.00 56.93 57.48 1x6f s PHE 79 Cb -0.11 0.02 0.04 0.00 -0.63 0.00 0.00 43.02 42.35 1x6f s PHE 79 CO 0.44 -0.17 0.47 0.15 -0.05 0.00 0.00 175.22 176.06 1x6f s LYS 80 N -0.46 0.75 -0.24 1.99 -0.14 -1.26 -5.15 119.74 115.22 1x6f s LYS 80 Ca -0.05 0.22 -0.06 0.00 -1.36 0.00 0.00 55.97 54.71 1x6f s LYS 80 Cb -0.04 0.35 0.12 0.00 -1.68 0.00 0.00 37.83 36.58 1x6f s LYS 80 CO 0.01 -0.19 0.49 -0.65 -0.76 0.00 0.00 175.35 174.25 1x6f s GLN 81 N -0.77 0.41 -0.01 1.68 -0.21 -1.26 -5.04 119.66 114.48 1x6f s GLN 81 Ca -0.08 1.04 -0.00 0.00 0.02 0.00 0.00 55.36 56.34 1x6f s GLN 81 Cb -0.03 0.34 -0.00 0.00 1.00 0.00 0.00 33.01 34.32 1x6f s GLN 81 CO 0.05 -0.35 -0.01 -1.91 -2.12 0.00 0.00 175.29 170.95 1x6f n GLU 82 N 5.40 0.01 -3.42 2.91 2.13 -1.26 -5.04 120.64 121.38 1x6f n GLU 82 Ca -0.08 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.37 1x6f n GLU 82 Cb 0.50 -0.77 -0.06 0.00 0.27 0.00 0.00 31.44 31.38 1x6f n GLU 82 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1x6f s SER 83 N -4.54 6.83 -0.01 4.31 0.15 -1.26 -5.08 113.70 114.09 1x6f s SER 83 Ca -0.01 0.99 -0.01 0.00 0.70 0.00 0.00 55.95 57.62 1x6f s SER 83 Cb 0.00 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1x6f s SER 83 CO 0.01 0.25 0.04 -0.83 1.20 0.00 0.00 173.24 173.91 1x6f s GLY 84 N -0.75 -0.03 1.13 9.45 0.00 -1.26 -5.16 107.32 110.69 1x6f s GLY 84 Ca 0.25 0.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.92 1x6f s GLY 84 CO 0.14 0.10 1.10 2.56 0.00 0.00 0.00 173.10 177.00 1x6f s PRO 85 N 0.03 -0.63 0.25 2.90 0.04 -1.26 -5.09 135.00 131.23 1x6f s PRO 85 Ca -0.00 0.15 -0.13 0.00 0.04 0.00 0.00 61.00 61.05 1x6f s PRO 85 Cb -0.00 -1.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.89 1x6f s PRO 85 CO 0.00 -3.36 0.50 -1.12 0.04 0.00 0.00 177.00 173.05 1x6f s SER 86 N -3.72 -0.09 0.10 6.66 0.01 -1.26 -5.18 113.70 110.22 1x6f s SER 86 Ca 0.69 -0.91 0.04 0.00 1.31 0.00 0.00 55.95 57.07 1x6f s SER 86 Cb -0.13 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 1x6f s SER 86 CO 0.57 -1.16 -0.10 -0.44 0.41 0.00 0.00 173.24 172.51 1x6f s SER 87 N -3.01 1.49 0.00 2.44 0.01 -1.26 -5.38 113.70 107.99 1x6f s SER 87 Ca 0.22 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1x6f s SER 87 Cb -0.01 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1x6f s SER 87 CO 0.09 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.10