#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1stu h ILE 2 N 0.00 0.78 -0.71 0.52 1.08 -1.96 -2.60 117.51 114.62 1stu h ILE 2 Ca 0.00 -0.74 0.20 0.00 -0.39 0.00 0.00 64.86 63.93 1stu h ILE 2 Cb 0.00 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1stu h ILE 2 CO 0.00 0.15 0.51 -1.28 -0.69 0.00 0.00 178.15 176.83 1stu h SER 3 N -0.74 0.06 0.44 1.72 0.87 -2.02 -0.32 113.55 113.57 1stu h SER 3 Ca -0.03 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1stu h SER 3 Cb 0.50 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1stu h SER 3 CO 0.06 0.03 -0.21 1.56 -0.53 0.00 0.00 176.83 177.73 1stu h GLN 4 N 0.06 -0.57 0.09 2.24 1.08 -1.94 0.07 115.11 116.14 1stu h GLN 4 Ca 0.34 0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.58 1stu h GLN 4 Cb 1.28 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.83 1stu h GLN 4 CO -0.02 -0.28 -0.12 0.28 -0.95 0.00 0.00 178.83 177.74 1stu h VAL 5 N -0.85 0.00 -0.90 -0.54 2.07 -0.76 0.07 116.25 115.34 1stu h VAL 5 Ca -0.06 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.82 1stu h VAL 5 Cb 0.56 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.19 1stu h VAL 5 CO 0.10 0.00 0.51 1.41 0.02 0.00 0.00 177.57 179.61 1stu n HIS 6 N -3.07 0.88 0.39 1.57 8.25 -0.28 0.03 115.22 122.99 1stu n HIS 6 Ca -0.03 0.89 -0.17 0.00 -0.26 0.00 0.00 57.72 58.15 1stu n HIS 6 Cb 0.11 -1.30 -0.08 0.00 1.12 0.00 0.00 29.99 29.83 1stu n HIS 6 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1stu h GLU 7 N 0.00 -0.98 0.02 -0.41 5.08 0.95 -1.74 114.58 117.50 1stu h GLU 7 Ca 0.71 0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 59.13 1stu h GLU 7 Cb 1.96 0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.44 1stu h GLU 7 CO -0.58 -0.63 -0.01 -0.84 -1.00 0.00 0.00 179.01 175.95 1stu h ILE 8 N -1.19 1.38 -0.64 3.13 -0.00 0.49 -1.30 117.51 119.38 1stu h ILE 8 Ca -0.10 -1.25 0.13 0.00 -0.00 0.00 0.00 64.86 63.63 1stu h ILE 8 Cb 0.80 2.22 -0.12 0.00 -0.00 0.00 0.00 36.82 39.72 1stu h ILE 8 CO 0.17 0.32 -0.13 1.23 -0.00 0.00 0.00 178.15 179.74 1stu h GLY 9 N -0.57 0.50 0.77 0.16 0.00 -0.50 0.38 103.07 103.80 1stu h GLY 9 Ca -0.00 0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.44 1stu h GLY 9 CO 0.00 -0.24 -0.21 -2.22 0.00 0.00 0.00 176.54 173.88 1stu h ILE 10 N 0.02 1.36 0.00 2.60 1.08 -1.34 2.17 117.51 123.39 1stu h ILE 10 Ca 0.31 -1.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 1stu h ILE 10 Cb 0.49 1.93 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1stu h ILE 10 CO -0.64 0.42 0.00 0.29 -0.69 0.00 0.00 178.15 177.53 1stu n LYS 11 N -4.48 0.06 -0.09 2.37 5.02 -0.44 -1.79 118.16 118.81 1stu n LYS 11 Ca -0.06 0.46 0.04 0.00 -2.02 0.00 0.00 58.31 56.72 1stu n LYS 11 Cb 0.41 -1.66 0.06 0.00 -0.02 0.00 0.00 35.03 33.82 1stu n LYS 11 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1stu n ARG 12 N -1.78 1.60 -0.42 1.97 1.74 0.12 -4.95 116.66 114.93 1stu n ARG 12 Ca 0.01 -1.77 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 1stu n ARG 12 Cb 0.08 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1stu n ARG 12 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1stu n ASN 13 N -0.77 0.00 -4.56 0.55 3.02 -0.31 -4.91 115.26 108.28 1stu n ASN 13 Ca 0.07 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 1stu n ASN 13 Cb 0.49 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 1stu n ASN 13 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1stu s MET 14 N -0.19 3.52 0.91 3.52 -1.94 0.72 -4.20 119.30 121.65 1stu s MET 14 Ca 0.00 -0.99 -0.16 0.00 -1.71 0.00 0.00 55.69 52.83 1stu s MET 14 Cb 0.00 -5.21 -0.09 0.00 2.01 0.00 0.00 34.83 31.54 1stu s MET 14 CO 0.00 -2.23 -0.27 2.41 -0.01 0.00 0.00 175.02 174.92 1stu n THR 15 N 6.85 0.18 -3.76 2.05 -1.04 -1.25 -3.54 114.28 113.76 1stu n THR 15 Ca 0.30 -0.40 -0.30 0.00 -2.04 0.00 0.00 64.05 61.61 1stu n THR 15 Cb 0.51 -0.25 -0.13 0.00 -1.82 0.00 0.00 70.33 68.63 1stu n THR 15 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1stu s VAL 16 N -2.10 1.56 -0.62 12.58 1.01 -1.16 -3.21 120.40 128.46 1stu s VAL 16 Ca 0.49 -2.54 -0.06 0.00 0.00 0.00 0.00 61.98 59.87 1stu s VAL 16 Cb -0.23 -2.10 0.16 0.00 0.00 0.00 0.00 36.38 34.20 1stu s VAL 16 CO 0.75 -0.85 0.46 -1.00 0.00 0.00 0.00 175.10 174.46 1stu s HIS 17 N 0.41 3.49 -0.35 5.22 3.76 -0.88 -4.81 115.29 122.14 1stu s HIS 17 Ca 0.16 -2.42 -0.28 0.00 -0.15 0.00 0.00 55.06 52.37 1stu s HIS 17 Cb -0.24 -3.36 0.02 0.00 1.11 0.00 0.00 32.58 30.11 1stu s HIS 17 CO -0.02 -0.91 1.03 -0.06 -0.85 0.00 0.00 174.74 173.93 1stu s PHE 18 N 0.32 3.09 -0.18 1.40 0.08 -1.26 -1.39 117.98 120.05 1stu s PHE 18 Ca 0.14 1.00 -0.05 0.00 0.12 0.00 0.00 56.93 58.14 1stu s PHE 18 Cb -0.20 -3.75 0.09 0.00 -0.57 0.00 0.00 43.02 38.59 1stu s PHE 18 CO -0.04 -0.84 0.34 0.21 -0.10 0.00 0.00 175.22 174.80 1stu s LYS 19 N 3.67 0.26 -0.30 0.44 2.36 -0.18 -4.99 119.74 121.00 1stu s LYS 19 Ca 0.43 0.80 -0.29 0.00 -2.55 0.00 0.00 55.97 54.36 1stu s LYS 19 Cb -0.12 -0.03 0.01 0.00 -1.05 0.00 0.00 37.83 36.65 1stu s LYS 19 CO 0.18 -0.35 1.11 0.08 1.55 0.00 0.00 175.35 177.92 1stu s VAL 20 N 2.52 4.46 -0.43 4.02 1.01 -1.26 -0.91 120.40 129.81 1stu s VAL 20 Ca 0.02 1.70 0.04 0.00 0.00 0.00 0.00 61.98 63.74 1stu s VAL 20 Cb -0.13 -4.34 0.07 0.00 0.00 0.00 0.00 36.38 31.98 1stu s VAL 20 CO -0.12 -0.42 0.87 0.00 0.00 0.00 0.00 175.10 175.43 1stu n LEU 21 N 6.89 1.85 -4.02 3.92 -0.00 -1.09 -4.94 117.00 119.63 1stu n LEU 21 Ca 0.12 -1.51 -0.11 0.00 -0.00 0.00 0.00 56.01 54.52 1stu n LEU 21 Cb 0.47 -0.04 -0.11 0.00 -0.00 0.00 0.00 43.42 43.73 1stu n LEU 21 CO 0.59 0.44 -0.38 -0.60 -0.00 0.00 0.00 177.39 177.44 1stu s ARG 22 N -0.68 0.42 -0.09 1.47 6.06 -1.22 -4.96 118.95 119.95 1stu s ARG 22 Ca 0.07 -0.70 -0.00 0.00 -2.50 0.00 0.00 55.73 52.60 1stu s ARG 22 Cb 0.04 -0.07 0.02 0.00 0.06 0.00 0.00 34.95 35.00 1stu s ARG 22 CO 0.06 -0.01 -0.06 -1.21 -2.50 0.00 0.00 175.30 171.58 1stu s GLU 23 N -1.59 1.27 0.20 5.12 8.01 -1.26 -2.43 118.70 128.03 1stu s GLU 23 Ca -0.13 -0.17 0.01 0.00 0.01 0.00 0.00 54.97 54.69 1stu s GLU 23 Cb -0.09 -1.36 -0.05 0.00 -4.31 0.00 0.00 34.13 28.32 1stu s GLU 23 CO -0.01 -0.23 0.05 -2.00 0.01 0.00 0.00 175.26 173.09 1stu s GLU 24 N 1.59 1.21 0.00 1.61 2.12 -0.69 -4.99 118.70 119.55 1stu s GLU 24 Ca 0.02 -1.62 0.00 0.00 0.36 0.00 0.00 54.97 53.73 1stu s GLU 24 Cb -0.13 -0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.08 1stu s GLU 24 CO -0.06 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 1stu n GLY 25 N -0.31 2.53 0.00 -1.50 0.00 -1.26 -1.63 105.19 103.02 1stu n GLY 25 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1stu n GLY 25 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1stu n PRO 26 N 0.00 0.00 -1.74 1.61 -0.02 -1.26 -4.80 135.00 128.78 1stu n PRO 26 Ca 0.00 0.35 -0.03 0.00 -2.02 0.00 0.00 63.50 61.80 1stu n PRO 26 Cb 0.00 -1.34 0.04 0.00 -0.02 0.00 0.00 33.50 32.17 1stu n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1stu n ALA 27 N -1.54 1.79 -1.86 3.55 0.00 -1.26 -4.96 120.51 116.23 1stu n ALA 27 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 53.44 52.80 1stu n ALA 27 Cb 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 1stu n ALA 27 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1stu n HIS 28 N -0.67 0.00 0.00 0.00 -0.00 -1.26 -5.05 115.22 108.24 1stu n HIS 28 Ca -0.16 -0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.45 1stu n HIS 28 Cb 0.69 0.29 0.00 0.00 -0.00 0.00 0.00 29.99 30.97 1stu n HIS 28 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1stu n MET 29 N 0.00 0.00 -2.52 -1.40 0.00 -1.26 -5.13 117.12 106.81 1stu n MET 29 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.21 1stu n MET 29 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.67 1stu n MET 29 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1stu s LYS 30 N 0.00 4.30 -0.05 2.12 1.02 -1.26 -4.26 119.74 121.61 1stu s LYS 30 Ca 0.00 1.56 -0.01 0.00 0.02 0.00 0.00 55.97 57.54 1stu s LYS 30 Cb 0.00 -3.65 0.03 0.00 -0.52 0.00 0.00 37.83 33.69 1stu s LYS 30 CO 0.00 -0.56 0.02 -0.80 -0.92 0.00 0.00 175.35 173.09 1stu s ASN 31 N 1.55 1.04 0.11 2.83 -0.87 -0.65 0.11 114.94 119.06 1stu s ASN 31 Ca 0.52 -0.01 0.04 0.00 -1.57 0.00 0.00 52.86 51.83 1stu s ASN 31 Cb -0.21 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.25 40.71 1stu s ASN 31 CO 0.15 -0.18 0.08 -0.36 -2.57 0.00 0.00 177.10 174.23 1stu s PHE 32 N 1.69 3.14 -0.62 2.20 0.40 -0.39 -1.70 117.98 122.70 1stu s PHE 32 Ca -0.00 0.03 -0.23 0.00 -0.60 0.00 0.00 56.93 56.13 1stu s PHE 32 Cb -0.13 -1.58 0.06 0.00 0.51 0.00 0.00 43.02 41.89 1stu s PHE 32 CO -0.03 0.52 0.95 0.42 0.70 0.00 0.00 175.22 177.78 1stu s ILE 33 N -1.48 4.35 -0.43 0.64 -1.09 -1.02 0.12 121.20 122.29 1stu s ILE 33 Ca 0.29 -0.14 -0.23 0.00 -2.23 0.00 0.00 60.65 58.34 1stu s ILE 33 Cb -0.11 -4.63 0.02 0.00 -1.58 0.00 0.00 42.46 36.16 1stu s ILE 33 CO 0.22 -1.34 0.76 -0.89 -1.23 0.00 0.00 174.94 172.46 1stu s THR 34 N 4.02 4.70 -0.30 2.92 2.01 0.11 -2.65 115.64 126.45 1stu s THR 34 Ca 0.25 0.49 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1stu s THR 34 Cb -0.15 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.10 1stu s THR 34 CO 0.13 -0.63 1.06 0.00 -0.69 0.00 0.00 174.62 174.49 1stu s ALA 35 N 3.17 3.53 -0.30 7.40 0.00 -0.08 0.59 121.76 136.07 1stu s ALA 35 Ca 0.29 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 1stu s ALA 35 Cb -0.13 -3.64 0.03 0.00 0.00 0.00 0.00 23.12 19.38 1stu s ALA 35 CO 0.21 -1.40 0.03 0.00 0.00 0.00 0.00 175.76 174.60 1stu s ILE 37 N 1.38 3.91 -0.07 0.00 -1.16 -0.48 -1.04 121.20 123.74 1stu s ILE 37 Ca -0.01 1.73 0.01 0.00 -0.51 0.00 0.00 60.65 61.87 1stu s ILE 37 Cb -0.18 -4.10 0.02 0.00 0.61 0.00 0.00 42.46 38.81 1stu s ILE 37 CO 0.00 0.33 -0.07 0.54 -2.81 0.00 0.00 174.94 172.93 1stu s VAL 38 N -0.53 0.85 0.00 4.00 0.11 -0.51 -2.06 120.40 122.26 1stu s VAL 38 Ca 0.47 -0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1stu s VAL 38 Cb -0.28 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 1stu s VAL 38 CO 0.35 0.31 0.00 0.61 -3.33 0.00 0.00 175.10 173.04 1stu n GLY 39 N 4.32 3.86 0.50 6.54 0.00 -1.23 -1.19 105.19 117.99 1stu n GLY 39 Ca -0.19 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.03 1stu n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1stu n SER 40 N 6.99 2.34 -4.63 1.61 3.41 -1.26 -4.19 113.62 117.89 1stu n SER 40 Ca 0.00 -1.70 -0.24 0.00 -0.26 0.00 0.00 58.87 56.67 1stu n SER 40 Cb 0.00 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 1stu n SER 40 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1stu s ILE 41 N -0.93 3.05 -0.07 -1.33 1.09 -0.34 -5.12 121.20 117.56 1stu s ILE 41 Ca 0.17 -1.96 -0.04 0.00 -1.10 0.00 0.00 60.65 57.72 1stu s ILE 41 Cb 0.10 -2.78 -0.04 0.00 -1.06 0.00 0.00 42.46 38.68 1stu s ILE 41 CO 0.14 -0.31 0.09 -0.69 -0.10 0.00 0.00 174.94 174.08 1stu s VAL 42 N -2.41 5.00 -0.39 2.92 1.01 -1.26 -1.42 120.40 123.84 1stu s VAL 42 Ca 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1stu s VAL 42 Cb -0.04 -3.21 0.13 0.00 0.00 0.00 0.00 36.38 33.26 1stu s VAL 42 CO 0.20 0.52 0.20 -0.89 0.00 0.00 0.00 175.10 175.12 1stu s THR 43 N -1.07 1.00 0.00 3.92 2.01 -0.20 -4.89 115.64 116.41 1stu s THR 43 Ca 0.18 -2.11 0.00 0.00 0.31 0.00 0.00 61.69 60.07 1stu s THR 43 Cb -0.12 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.67 1stu s THR 43 CO 0.08 -0.87 0.00 -0.62 -0.69 0.00 0.00 174.62 172.52 1stu n GLU 44 N 3.94 0.43 -3.70 4.92 4.71 -1.26 -1.43 120.64 128.25 1stu n GLU 44 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.11 1stu n GLU 44 Cb 0.37 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.80 1stu n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1stu n GLY 45 N 5.00 1.45 2.30 0.62 0.00 0.20 -4.74 105.19 110.02 1stu n GLY 45 Ca 0.00 -1.38 -0.25 0.00 0.00 0.00 0.00 46.02 44.39 1stu n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1stu n GLU 46 N -0.52 1.19 -4.31 1.61 1.02 -1.25 0.08 120.64 118.46 1stu n GLU 46 Ca -0.05 -3.65 -0.16 0.00 -0.02 0.00 0.00 57.16 53.27 1stu n GLU 46 Cb 0.56 -1.57 -0.10 0.00 -0.02 0.00 0.00 31.44 30.30 1stu n GLU 46 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1stu s GLY 47 N -1.42 1.75 0.00 0.62 0.00 0.32 -4.31 107.32 104.27 1stu s GLY 47 Ca 0.36 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1stu s GLY 47 CO -0.09 -1.58 0.00 -2.01 0.00 0.00 0.00 173.10 169.42 1stu n ASN 48 N -0.50 0.00 -0.30 1.64 5.15 -1.26 -1.26 115.26 118.73 1stu n ASN 48 Ca 0.00 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.05 1stu n ASN 48 Cb 0.66 0.00 0.17 0.00 -0.53 0.00 0.00 39.78 40.08 1stu n ASN 48 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1stu h GLY 49 N 0.00 0.85 -6.15 8.20 0.00 0.48 -3.13 103.07 103.32 1stu h GLY 49 Ca 0.00 0.20 -0.58 0.00 0.00 0.00 0.00 47.33 46.95 1stu h GLY 49 CO 0.00 -0.36 -0.96 0.28 0.00 0.00 0.00 176.54 175.50 1stu n LYS 50 N -5.47 1.04 -3.89 4.80 4.01 -1.26 -4.83 118.16 112.56 1stu n LYS 50 Ca 0.16 -3.56 -0.25 0.00 -0.51 0.00 0.00 58.31 54.15 1stu n LYS 50 Cb 0.53 -1.54 -0.00 0.00 -0.51 0.00 0.00 35.03 33.51 1stu n LYS 50 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1stu n LYS 51 N 1.55 -3.88 -0.01 1.97 4.01 -1.18 -4.85 118.16 115.77 1stu n LYS 51 Ca 0.24 0.48 -0.01 0.00 -0.51 0.00 0.00 58.31 58.51 1stu n LYS 51 Cb 0.49 -4.80 -0.02 0.00 -0.51 0.00 0.00 35.03 30.19 1stu n LYS 51 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 1stu n VAL 52 N -4.38 0.14 -0.18 -0.18 3.14 -1.26 -4.73 118.33 110.89 1stu n VAL 52 Ca -0.27 -0.11 -0.05 0.00 -2.96 0.00 0.00 64.34 60.95 1stu n VAL 52 Cb 0.67 -0.56 -0.04 0.00 -1.06 0.00 0.00 33.84 32.84 1stu n VAL 52 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1stu n SER 53 N -1.97 -0.44 -0.21 6.55 3.41 -1.22 0.21 113.62 119.95 1stu n SER 53 Ca -0.04 1.02 -0.02 0.00 -0.26 0.00 0.00 58.87 59.57 1stu n SER 53 Cb 0.46 -0.23 0.05 0.00 -0.26 0.00 0.00 64.21 64.22 1stu n SER 53 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1stu h LYS 54 N 0.00 -0.05 0.00 4.33 1.79 -1.86 -0.23 116.57 120.55 1stu h LYS 54 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1stu h LYS 54 Cb 0.17 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1stu h LYS 54 CO -0.39 -0.03 0.00 1.63 -1.08 0.00 0.00 179.45 179.58 1stu n LYS 55 N -5.44 0.00 -0.07 3.15 5.02 0.57 -1.54 118.16 119.85 1stu n LYS 55 Ca 0.07 0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.40 1stu n LYS 55 Cb 0.34 -0.94 -0.02 0.00 -0.02 0.00 0.00 35.03 34.39 1stu n LYS 55 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1stu n ARG 56 N -0.49 -0.07 -0.17 1.97 3.00 0.88 0.23 116.66 122.00 1stu n ARG 56 Ca 0.00 0.55 -0.07 0.00 -0.00 0.00 0.00 57.85 58.33 1stu n ARG 56 Cb 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 32.46 31.63 1stu n ARG 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1stu h ALA 57 N -0.22 -0.18 0.38 5.13 0.00 -1.10 -0.91 119.26 122.36 1stu h ALA 57 Ca 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1stu h ALA 57 Cb 0.07 0.82 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1stu h ALA 57 CO -0.15 -0.74 -0.18 0.00 0.00 0.00 0.00 179.25 178.17 1stu h ALA 58 N 0.79 -0.51 -1.01 0.00 0.00 0.85 -0.28 119.26 119.09 1stu h ALA 58 Ca 0.20 -0.13 0.24 0.00 0.00 0.00 0.00 54.91 55.22 1stu h ALA 58 Cb 0.56 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1stu h ALA 58 CO -0.64 -0.76 0.63 0.93 0.00 0.00 0.00 179.25 179.42 1stu h GLU 59 N -0.57 0.51 -0.69 0.00 4.39 -0.78 1.09 114.58 118.53 1stu h GLU 59 Ca -0.05 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 1stu h GLU 59 Cb 0.43 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1stu h GLU 59 CO 0.09 0.33 0.26 -0.22 -1.16 0.00 0.00 179.01 178.31 1stu h LYS 60 N 0.52 1.05 0.00 2.33 1.63 -0.44 0.18 116.57 121.84 1stu h LYS 60 Ca 0.60 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1stu h LYS 60 Cb 1.29 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1stu h LYS 60 CO -0.36 0.89 0.00 -0.12 -3.45 0.00 0.00 179.45 176.41 1stu n MET 61 N -4.35 0.00 -0.23 1.90 1.56 0.35 -0.56 117.12 115.80 1stu n MET 61 Ca 0.05 0.35 0.03 0.00 -0.27 0.00 0.00 57.70 57.86 1stu n MET 61 Cb 0.19 -1.13 0.13 0.00 2.15 0.00 0.00 33.22 34.56 1stu n MET 61 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1stu h LEU 62 N 0.00 -0.24 -1.17 -0.89 3.38 -0.93 0.67 115.31 116.13 1stu h LEU 62 Ca 0.00 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1stu h LEU 62 Cb 0.00 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1stu h LEU 62 CO 0.00 -0.12 0.46 0.58 0.09 0.00 0.00 178.44 179.45 1stu h VAL 63 N 0.14 1.21 0.65 1.22 2.07 -1.06 -1.50 116.25 118.99 1stu h VAL 63 Ca 0.37 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1stu h VAL 63 Cb 0.62 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1stu h VAL 63 CO -0.56 0.22 -0.40 -0.33 0.02 0.00 0.00 177.57 176.51 1stu h GLU 64 N 1.05 -0.96 -0.60 1.57 4.39 0.28 -2.67 114.58 117.65 1stu h GLU 64 Ca 0.28 0.07 0.01 0.00 0.34 0.00 0.00 59.36 60.05 1stu h GLU 64 Cb -0.05 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1stu h GLU 64 CO -0.05 -0.64 0.40 1.37 -1.16 0.00 0.00 179.01 178.93 1stu h LEU 65 N -0.99 0.68 -1.86 1.33 -0.00 -1.01 -1.19 115.31 112.26 1stu h LEU 65 Ca -0.08 -0.02 0.17 0.00 -0.00 0.00 0.00 57.88 57.95 1stu h LEU 65 Cb 0.81 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 1stu h LEU 65 CO 0.08 0.49 0.59 1.56 -0.00 0.00 0.00 178.44 181.16 1stu h GLN 66 N 0.80 0.00 0.25 0.17 7.50 -0.92 -0.44 115.11 122.47 1stu h GLN 66 Ca 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.37 1stu h GLN 66 Cb -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 1stu h GLN 66 CO -0.05 0.00 -0.18 -0.22 -1.50 0.00 0.00 178.83 176.88 1stu h LYS 67 N 0.00 -0.42 0.00 1.46 3.11 -1.16 -3.51 116.57 116.05 1stu h LYS 67 Ca 0.28 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 1stu h LYS 67 Cb 1.46 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.79 1stu h LYS 67 CO -0.00 -0.28 0.00 1.28 -2.81 0.00 0.00 179.45 177.64