#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 1.40 -0.32 0.52 1.08 -1.95 -2.98 117.51 115.26 1stu h ILE 2 Ca 0.00 -1.52 0.01 0.00 -0.39 0.00 0.00 64.86 62.96 1stu h ILE 2 Cb 0.00 2.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.89 1stu h ILE 2 CO 0.00 0.43 0.21 0.77 -0.69 0.00 0.00 178.15 178.88 1stu h SER 3 N -0.15 0.33 0.43 1.72 4.64 -2.00 -0.70 113.55 117.81 1stu h SER 3 Ca 0.00 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1stu h SER 3 Cb 0.81 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1stu h SER 3 CO 0.05 0.23 -0.21 1.56 -0.87 0.00 0.00 176.83 177.59 1stu h GLN 4 N 0.38 -0.56 0.48 4.77 4.20 -1.98 0.35 115.11 122.76 1stu h GLN 4 Ca 0.12 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1stu h GLN 4 Cb 0.02 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1stu h GLN 4 CO -0.03 -0.26 -0.32 0.28 -0.67 0.00 0.00 178.83 177.83 1stu h VAL 5 N -0.82 0.00 -1.20 -0.54 2.07 -1.33 0.07 116.25 114.49 1stu h VAL 5 Ca -0.06 0.00 0.45 0.00 0.82 0.00 0.00 66.70 67.91 1stu h VAL 5 Cb 0.55 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.17 1stu h VAL 5 CO 0.10 0.00 0.73 1.41 0.02 0.00 0.00 177.57 179.83 1stu n HIS 6 N -4.36 0.86 0.12 1.57 8.25 -0.30 0.39 115.22 121.75 1stu n HIS 6 Ca -0.09 0.87 -0.05 0.00 -0.26 0.00 0.00 57.72 58.19 1stu n HIS 6 Cb 0.32 -1.29 -0.02 0.00 1.12 0.00 0.00 29.99 30.12 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 -0.29 -0.01 -0.41 5.08 0.10 -1.74 114.58 117.31 1stu h GLU 7 Ca 0.85 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 59.23 1stu h GLU 7 Cb 2.55 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.87 1stu h GLU 7 CO -0.57 -0.19 -0.00 -0.84 -1.00 0.00 0.00 179.01 176.41 1stu h ILE 8 N -0.32 1.26 -0.52 3.13 -0.00 -0.09 -1.25 117.51 119.72 1stu h ILE 8 Ca -0.03 -0.79 0.09 0.00 -0.00 0.00 0.00 64.86 64.13 1stu h ILE 8 Cb 0.23 1.77 -0.10 0.00 -0.00 0.00 0.00 36.82 38.72 1stu h ILE 8 CO 0.05 0.21 -0.38 1.23 -0.00 0.00 0.00 178.15 179.26 1stu h GLY 9 N -0.30 -0.31 0.78 0.16 0.00 -0.17 0.45 103.07 103.68 1stu h GLY 9 Ca 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 1stu h GLY 9 CO 0.00 -0.19 -0.08 -2.22 0.00 0.00 0.00 176.54 174.05 1stu h ILE 10 N -0.22 1.31 0.00 2.60 1.08 -1.33 2.22 117.51 123.17 1stu h ILE 10 Ca 0.19 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 1stu h ILE 10 Cb 0.56 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 1stu h ILE 10 CO -0.64 0.34 0.00 0.29 -0.69 0.00 0.00 178.15 177.45 1stu n LYS 11 N -4.61 0.06 -0.00 2.37 5.02 -0.47 -1.72 118.16 118.81 1stu n LYS 11 Ca -0.05 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1stu n LYS 11 Cb 0.31 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1stu n LYS 11 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1stu n ARG 12 N -1.77 2.12 0.00 1.97 0.63 0.15 -4.96 116.66 114.79 1stu n ARG 12 Ca 0.00 -1.22 0.00 0.00 -0.92 0.00 0.00 57.85 55.71 1stu n ARG 12 Cb 0.06 -0.86 0.00 0.00 0.45 0.00 0.00 32.46 32.11 1stu n ARG 12 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1stu n ASN 13 N -0.36 0.00 -4.57 6.15 5.15 0.69 -4.92 115.26 117.40 1stu n ASN 13 Ca 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 1stu n ASN 13 Cb 0.33 -0.04 -0.04 0.00 -0.53 0.00 0.00 39.78 39.49 1stu n ASN 13 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1stu s MET 14 N 0.00 2.86 0.99 1.20 -1.94 0.72 -4.47 119.30 118.65 1stu s MET 14 Ca 0.00 -0.86 -0.20 0.00 -1.71 0.00 0.00 55.69 52.92 1stu s MET 14 Cb 0.00 -5.21 -0.16 0.00 2.01 0.00 0.00 34.83 31.46 1stu s MET 14 CO 0.00 -3.25 -1.02 2.41 -0.01 0.00 0.00 175.02 173.15 1stu n THR 15 N 7.54 0.00 -3.52 2.05 -1.04 -1.25 -3.60 114.28 114.46 1stu n THR 15 Ca 0.41 -0.34 -0.29 0.00 -2.04 0.00 0.00 64.05 61.79 1stu n THR 15 Cb 0.47 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.86 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 -1.97 0.48 -0.65 12.58 1.01 -1.07 -3.34 120.40 127.44 1stu s VAL 16 Ca 0.38 -2.04 -0.09 0.00 0.00 0.00 0.00 61.98 60.23 1stu s VAL 16 Cb -0.09 -1.35 0.17 0.00 0.00 0.00 0.00 36.38 35.11 1stu s VAL 16 CO 0.77 -1.00 0.53 -1.00 0.00 0.00 0.00 175.10 174.40 1stu s HIS 17 N 0.77 3.53 -0.05 5.22 3.76 -0.81 -4.80 115.29 122.91 1stu s HIS 17 Ca 0.20 -2.15 -0.23 0.00 -0.15 0.00 0.00 55.06 52.72 1stu s HIS 17 Cb -0.20 -3.53 -0.04 0.00 1.11 0.00 0.00 32.58 29.92 1stu s HIS 17 CO -0.02 -0.95 0.69 -0.06 -0.85 0.00 0.00 174.74 173.56 1stu s PHE 18 N 0.50 3.61 -0.22 1.40 0.40 -1.26 -1.27 117.98 121.14 1stu s PHE 18 Ca 0.13 1.26 -0.04 0.00 -0.60 0.00 0.00 56.93 57.68 1stu s PHE 18 Cb -0.19 -2.78 0.11 0.00 0.51 0.00 0.00 43.02 40.68 1stu s PHE 18 CO -0.04 0.14 0.37 0.21 0.70 0.00 0.00 175.22 176.61 1stu s LYS 19 N 0.57 0.31 -0.41 0.44 2.47 0.46 -4.97 119.74 118.61 1stu s LYS 19 Ca 0.37 0.70 -0.29 0.00 -1.56 0.00 0.00 55.97 55.19 1stu s LYS 19 Cb -0.18 -0.21 0.02 0.00 -1.46 0.00 0.00 37.83 36.00 1stu s LYS 19 CO 0.18 -0.49 1.22 0.08 0.16 0.00 0.00 175.35 176.51 1stu s VAL 20 N 2.55 4.16 -0.13 4.02 1.01 -1.26 -0.66 120.40 130.09 1stu s VAL 20 Ca 0.07 1.23 0.18 0.00 0.00 0.00 0.00 61.98 63.46 1stu s VAL 20 Cb -0.14 -4.42 -0.15 0.00 0.00 0.00 0.00 36.38 31.68 1stu s VAL 20 CO -0.14 -0.80 0.77 0.18 0.00 0.00 0.00 175.10 175.11 1stu n LEU 21 N 7.91 0.76 -4.27 3.92 4.77 -0.60 -4.93 117.00 124.56 1stu n LEU 21 Ca 0.13 0.33 -0.16 0.00 -0.03 0.00 0.00 56.01 56.29 1stu n LEU 21 Cb 0.48 0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1stu n LEU 21 CO 0.68 0.14 -0.43 -0.13 -1.33 0.00 0.00 177.39 176.33 1stu s ARG 22 N -2.96 1.11 -0.45 3.23 0.52 -0.99 -4.98 118.95 114.43 1stu s ARG 22 Ca -0.03 -1.43 0.07 0.00 -0.52 0.00 0.00 55.73 53.81 1stu s ARG 22 Cb 0.09 -0.80 0.25 0.00 0.52 0.00 0.00 34.95 35.02 1stu s ARG 22 CO 0.82 0.12 0.80 0.39 0.02 0.00 0.00 175.30 177.45 1stu n GLU 23 N -0.06 0.79 -1.43 3.54 1.02 -1.26 -3.15 120.64 120.08 1stu n GLU 23 Ca -0.11 -2.24 0.11 0.00 -0.02 0.00 0.00 57.16 54.90 1stu n GLU 23 Cb 0.60 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 1stu n GLU 23 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1stu n GLU 24 N 1.41 -3.30 0.00 3.49 0.28 0.94 -4.88 120.64 118.58 1stu n GLU 24 Ca 0.13 2.65 0.00 0.00 -0.16 0.00 0.00 57.16 59.78 1stu n GLU 24 Cb 0.61 -3.66 0.00 0.00 1.43 0.00 0.00 31.44 29.81 1stu n GLU 24 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1stu n GLY 25 N -3.70 -3.09 0.00 -1.84 0.00 -1.26 -4.86 105.19 90.44 1stu n GLY 25 Ca -0.06 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.67 1.61 -0.02 -1.26 -4.85 135.00 126.81 1stu n PRO 26 Ca 0.00 0.40 -0.08 0.00 -2.02 0.00 0.00 63.50 61.80 1stu n PRO 26 Cb 0.00 -1.29 -0.09 0.00 -0.02 0.00 0.00 33.50 32.10 1stu n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1stu s ALA 27 N -2.80 -1.26 0.00 3.55 0.00 -1.26 -5.15 121.76 114.84 1stu s ALA 27 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1stu s ALA 27 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1stu s ALA 27 CO 0.00 -0.55 0.00 -2.39 0.00 0.00 0.00 175.76 172.82 1stu n HIS 28 N 4.87 0.00 -2.14 0.00 1.44 -1.26 -4.99 115.22 113.14 1stu n HIS 28 Ca -0.15 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.21 1stu n HIS 28 Cb 0.52 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.66 1stu n HIS 28 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1stu n MET 29 N 0.00 3.01 0.00 -1.40 2.81 -1.26 -4.85 117.12 115.43 1stu n MET 29 Ca 0.00 -3.90 0.00 0.00 -1.81 0.00 0.00 57.70 51.99 1stu n MET 29 Cb 0.00 -2.26 0.00 0.00 -0.71 0.00 0.00 33.22 30.25 1stu n MET 29 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1stu n LYS 30 N -0.52 3.47 -3.83 0.03 4.76 -1.26 -4.38 118.16 116.44 1stu n LYS 30 Ca 0.48 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.66 1stu n LYS 30 Cb 0.40 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.58 1stu n LYS 30 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1stu s ASN 31 N -1.09 4.66 -0.08 4.39 -0.87 -1.26 0.97 114.94 121.66 1stu s ASN 31 Ca 0.00 -1.21 -0.03 0.00 -1.57 0.00 0.00 52.86 50.05 1stu s ASN 31 Cb 0.00 0.39 0.04 0.00 -0.02 0.00 0.00 41.25 41.66 1stu s ASN 31 CO 0.00 -1.11 0.08 -0.36 -2.57 0.00 0.00 177.10 173.14 1stu s PHE 32 N -2.76 0.08 -0.22 2.20 0.40 -0.19 -0.04 117.98 117.44 1stu s PHE 32 Ca 0.36 0.13 -0.19 0.00 -0.60 0.00 0.00 56.93 56.63 1stu s PHE 32 Cb -0.02 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.96 1stu s PHE 32 CO 0.22 -0.28 0.57 0.42 0.70 0.00 0.00 175.22 176.85 1stu s ILE 33 N 2.17 5.05 -0.25 0.64 -1.09 -1.19 0.45 121.20 126.99 1stu s ILE 33 Ca 0.04 1.04 0.02 0.00 -2.23 0.00 0.00 60.65 59.51 1stu s ILE 33 Cb -0.13 -3.88 0.06 0.00 -1.58 0.00 0.00 42.46 36.93 1stu s ILE 33 CO -0.05 0.11 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.81 1stu s THR 34 N 2.03 1.77 -0.21 2.92 2.01 0.29 -1.56 115.64 122.89 1stu s THR 34 Ca 0.25 -1.39 -0.29 0.00 0.31 0.00 0.00 61.69 60.57 1stu s THR 34 Cb -0.16 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 1stu s THR 34 CO 0.09 -0.09 1.23 0.00 -0.69 0.00 0.00 174.62 175.16 1stu s ALA 35 N 1.28 3.60 -0.21 7.40 0.00 0.17 0.91 121.76 134.91 1stu s ALA 35 Ca -0.07 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1stu s ALA 35 Cb -0.19 -3.65 0.04 0.00 0.00 0.00 0.00 23.12 19.32 1stu s ALA 35 CO -0.06 -1.30 -0.12 0.00 0.00 0.00 0.00 175.76 174.29 1stu s ILE 37 N 1.33 4.33 0.05 0.00 -1.16 -0.40 -1.50 121.20 123.86 1stu s ILE 37 Ca -0.02 1.97 0.04 0.00 -0.51 0.00 0.00 60.65 62.12 1stu s ILE 37 Cb -0.17 -4.26 -0.02 0.00 0.61 0.00 0.00 42.46 38.63 1stu s ILE 37 CO -0.08 0.31 -0.11 -0.69 -2.81 0.00 0.00 174.94 171.56 1stu s VAL 38 N -0.09 0.83 0.00 4.00 1.01 -0.56 -1.92 120.40 123.67 1stu s VAL 38 Ca 0.47 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1stu s VAL 38 Cb -0.25 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1stu s VAL 38 CO 0.31 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1stu n GLY 39 N 1.56 2.75 0.52 4.51 0.00 -1.25 -1.02 105.19 112.27 1stu n GLY 39 Ca -0.21 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1stu n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1stu n SER 40 N 3.07 2.62 -4.27 1.61 2.88 -1.26 -4.18 113.62 114.09 1stu n SER 40 Ca 0.00 -1.89 -0.23 0.00 -1.33 0.00 0.00 58.87 55.42 1stu n SER 40 Cb 0.00 -0.16 -0.13 0.00 -0.75 0.00 0.00 64.21 63.17 1stu n SER 40 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1stu s ILE 41 N -0.96 1.64 -0.07 2.46 -5.25 -0.19 -5.13 121.20 113.69 1stu s ILE 41 Ca 0.18 -1.49 -0.03 0.00 -0.99 0.00 0.00 60.65 58.32 1stu s ILE 41 Cb 0.10 -1.50 -0.04 0.00 2.95 0.00 0.00 42.46 43.98 1stu s ILE 41 CO 0.13 -0.06 0.07 -0.69 -1.79 0.00 0.00 174.94 172.60 1stu s VAL 42 N -1.15 4.83 -0.15 8.37 1.01 -1.26 -1.50 120.40 130.55 1stu s VAL 42 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1stu s VAL 42 Cb -0.10 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.22 1stu s VAL 42 CO 0.04 0.54 -0.00 0.42 0.00 0.00 0.00 175.10 176.10 1stu s THR 43 N -1.02 0.68 0.00 3.92 -4.23 -0.56 -4.94 115.64 109.49 1stu s THR 43 Ca 0.17 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1stu s THR 43 Cb -0.12 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1stu s THR 43 CO 0.06 0.02 0.00 -0.62 -0.54 0.00 0.00 174.62 173.54 1stu n GLU 44 N 5.01 0.42 -3.36 3.99 1.02 -1.26 -1.62 120.64 124.85 1stu n GLU 44 Ca -0.09 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.97 1stu n GLU 44 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.83 1stu n GLU 44 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1stu s GLY 45 N -2.40 -0.46 -1.45 0.62 0.00 0.26 -4.73 107.32 99.16 1stu s GLY 45 Ca 0.00 1.04 -0.10 0.00 0.00 0.00 0.00 44.72 45.67 1stu s GLY 45 CO 0.00 2.71 2.42 -1.84 0.00 0.00 0.00 173.10 176.39 1stu n GLU 46 N 5.37 3.67 -0.52 2.90 -0.00 -1.20 -0.55 120.64 130.32 1stu n GLU 46 Ca -0.04 -2.86 -0.12 0.00 -0.00 0.00 0.00 57.16 54.15 1stu n GLU 46 Cb 0.50 -2.91 0.11 0.00 -0.00 0.00 0.00 31.44 29.14 1stu n GLU 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1stu n GLY 47 N 3.13 -1.56 2.93 -1.84 0.00 0.17 -4.22 105.19 103.80 1stu n GLY 47 Ca 0.60 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1stu n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1stu s ASN 48 N -1.81 4.33 0.00 1.61 4.22 -1.26 -1.02 114.94 121.01 1stu s ASN 48 Ca 0.26 -2.74 0.00 0.00 -2.14 0.00 0.00 52.86 48.24 1stu s ASN 48 Cb -0.05 -1.54 0.00 0.00 1.28 0.00 0.00 41.25 40.94 1stu s ASN 48 CO 0.21 -0.27 0.00 0.61 -2.04 0.00 0.00 177.10 175.61 1stu n GLY 49 N 3.47 0.23 3.16 0.45 0.00 0.27 -4.75 105.19 108.01 1stu n GLY 49 Ca 0.05 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1stu n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1stu n LYS 50 N 1.81 -1.34 -3.13 1.61 3.00 -1.26 -3.21 118.16 115.65 1stu n LYS 50 Ca 0.00 0.85 -0.00 0.00 -0.00 0.00 0.00 58.31 59.16 1stu n LYS 50 Cb 0.00 -1.58 -0.00 0.00 0.00 0.00 0.00 35.03 33.45 1stu n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1stu n LYS 51 N -1.00 -0.74 0.00 1.64 5.02 -1.26 -4.98 118.16 116.84 1stu n LYS 51 Ca -0.15 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 1stu n LYS 51 Cb 0.53 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1stu n LYS 51 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1stu n VAL 52 N 1.51 0.00 0.00 -0.18 3.14 -1.20 -4.96 118.33 116.64 1stu n VAL 52 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1stu n VAL 52 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 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 0.00 0.00 -0.02 6.55 3.41 -1.26 -4.45 113.62 117.86 1stu n SER 53 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1stu n SER 53 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1stu n SER 53 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1stu h LYS 54 N 0.00 0.17 -0.59 4.33 2.10 -1.92 -1.06 116.57 119.60 1stu h LYS 54 Ca 0.00 -0.23 -0.10 0.00 -2.00 0.00 0.00 60.65 58.32 1stu h LYS 54 Cb 0.00 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.39 1stu h LYS 54 CO 0.00 1.03 -0.01 -0.22 -2.00 0.00 0.00 179.45 178.24 1stu h LYS 55 N -0.57 1.04 -0.19 0.07 3.64 -1.93 -1.70 116.57 116.93 1stu h LYS 55 Ca -0.05 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 58.94 1stu h LYS 55 Cb 1.18 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1stu h LYS 55 CO 0.07 1.03 -0.08 -0.09 -2.27 0.00 0.00 179.45 178.10 1stu h ARG 56 N 0.95 0.39 0.49 1.90 9.65 -1.88 -1.55 114.38 124.33 1stu h ARG 56 Ca 0.17 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1stu h ARG 56 Cb 0.57 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 1stu h ARG 56 CO 0.03 0.68 -0.41 0.00 2.80 0.00 0.00 179.97 183.07 1stu h ALA 57 N 0.70 -0.94 -0.42 2.80 0.00 -1.06 -0.15 119.26 120.19 1stu h ALA 57 Ca 0.04 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1stu h ALA 57 Cb 0.56 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1stu h ALA 57 CO 0.03 -1.06 0.01 0.00 0.00 0.00 0.00 179.25 178.23 1stu h ALA 58 N -0.57 0.40 -0.80 0.00 0.00 -1.33 0.35 119.26 117.31 1stu h ALA 58 Ca -0.05 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1stu h ALA 58 Cb 0.76 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1stu h ALA 58 CO -0.02 -0.38 0.52 0.93 0.00 0.00 0.00 179.25 180.31 1stu h GLU 59 N 0.12 0.57 -0.46 0.00 5.08 -0.98 0.56 114.58 119.47 1stu h GLU 59 Ca 0.21 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1stu h GLU 59 Cb 0.30 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1stu h GLU 59 CO -0.34 0.38 0.03 -0.22 -1.00 0.00 0.00 179.01 177.86 1stu h LYS 60 N 0.59 0.73 0.00 2.33 1.63 0.15 -0.12 116.57 121.88 1stu h LYS 60 Ca 0.39 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1stu h LYS 60 Cb 0.68 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1stu h LYS 60 CO -0.15 0.72 0.00 -1.33 -3.45 0.00 0.00 179.45 175.24 1stu n MET 61 N -4.25 0.00 -0.33 1.90 2.81 0.18 -0.47 117.12 116.96 1stu n MET 61 Ca 0.03 0.44 0.14 0.00 -1.81 0.00 0.00 57.70 56.50 1stu n MET 61 Cb 0.27 -1.11 0.33 0.00 -0.71 0.00 0.00 33.22 31.99 1stu n MET 61 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1stu h LEU 62 N 0.00 0.60 -0.68 4.03 3.38 -1.14 1.09 115.31 122.59 1stu h LEU 62 Ca 0.00 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1stu h LEU 62 Cb 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1stu h LEU 62 CO 0.00 0.14 0.06 0.58 0.09 0.00 0.00 178.44 179.30 1stu h VAL 63 N 0.59 1.26 0.16 1.22 2.07 -1.12 -1.52 116.25 118.92 1stu h VAL 63 Ca 0.58 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1stu h VAL 63 Cb 1.02 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1stu h VAL 63 CO -0.45 0.40 -0.52 -0.33 0.02 0.00 0.00 177.57 176.69 1stu h GLU 64 N 1.00 -0.75 -0.92 1.57 4.39 0.39 -2.07 114.58 118.19 1stu h GLU 64 Ca 0.19 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.95 1stu h GLU 64 Cb 0.49 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 1stu h GLU 64 CO 0.02 -0.50 0.61 1.37 -1.16 0.00 0.00 179.01 179.35 1stu h LEU 65 N -0.78 1.06 -1.56 1.33 -0.00 -1.10 -1.16 115.31 113.10 1stu h LEU 65 Ca -0.01 -0.03 0.23 0.00 -0.00 0.00 0.00 57.88 58.07 1stu h LEU 65 Cb 0.77 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 41.14 1stu h LEU 65 CO -0.26 0.76 0.85 1.56 -0.00 0.00 0.00 178.44 181.35 1stu h GLN 66 N 1.25 0.00 0.21 0.17 1.08 -0.55 -0.96 115.11 116.31 1stu h GLN 66 Ca 0.34 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.53 1stu h GLN 66 Cb -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.29 1stu h GLN 66 CO -0.07 0.00 -0.10 0.87 -0.95 0.00 0.00 178.83 178.58 1stu h LYS 67 N 0.00 -0.27 0.00 1.46 6.56 -1.02 -3.51 116.57 119.79 1stu h LYS 67 Ca 0.37 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.98 1stu h LYS 67 Cb 2.07 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 33.79 1stu h LYS 67 CO -0.00 -0.18 0.00 1.28 -2.06 0.00 0.00 179.45 178.49