#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 0.75 -0.90 4.25 1.08 -1.96 -2.85 117.51 117.89 1stu h ILE 2 Ca 0.00 -1.05 0.14 0.00 -0.39 0.00 0.00 64.86 63.56 1stu h ILE 2 Cb 0.00 1.26 -0.07 0.00 -3.07 0.00 0.00 36.82 34.94 1stu h ILE 2 CO 0.00 0.19 0.58 0.77 -0.69 0.00 0.00 178.15 179.00 1stu h SER 3 N -0.88 0.67 0.81 1.72 4.64 -2.02 -0.72 113.55 117.76 1stu h SER 3 Ca -0.03 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1stu h SER 3 Cb 0.51 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1stu h SER 3 CO 0.04 0.34 -0.45 1.56 -0.87 0.00 0.00 176.83 177.45 1stu h GLN 4 N 0.71 -1.13 0.04 4.77 4.20 -1.99 0.48 115.11 122.19 1stu h GLN 4 Ca 0.45 0.08 0.00 0.00 0.06 0.00 0.00 58.65 59.24 1stu h GLN 4 Cb 0.71 0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 1stu h GLN 4 CO -0.21 -0.75 -0.16 0.28 -0.67 0.00 0.00 178.83 177.32 1stu h VAL 5 N -1.17 0.00 -1.08 -0.54 2.07 -1.16 0.26 116.25 114.63 1stu h VAL 5 Ca -0.11 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.78 1stu h VAL 5 Cb 0.92 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.58 1stu h VAL 5 CO 0.14 0.00 0.69 1.41 0.02 0.00 0.00 177.57 179.84 1stu n HIS 6 N -3.38 0.54 0.01 1.57 8.25 -0.33 0.10 115.22 121.98 1stu n HIS 6 Ca -0.03 0.54 -0.13 0.00 -0.26 0.00 0.00 57.72 57.85 1stu n HIS 6 Cb 0.13 -0.95 -0.10 0.00 1.12 0.00 0.00 29.99 30.20 1stu n HIS 6 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1stu h GLU 7 N 0.00 -0.04 -0.01 -0.41 -0.00 0.18 -1.83 114.58 112.47 1stu h GLU 7 Ca 0.68 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 60.01 1stu h GLU 7 Cb 2.22 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.98 1stu h GLU 7 CO -0.36 0.41 -0.13 0.97 -0.00 0.00 0.00 179.01 179.90 1stu h ILE 8 N -0.52 1.54 -0.44 -1.06 -0.00 0.17 -1.48 117.51 115.73 1stu h ILE 8 Ca -0.00 -1.77 0.09 0.00 -0.00 0.00 0.00 64.86 63.18 1stu h ILE 8 Cb 0.48 2.66 -0.09 0.00 -0.00 0.00 0.00 36.82 39.87 1stu h ILE 8 CO 0.01 0.48 -0.15 1.23 -0.00 0.00 0.00 178.15 179.71 1stu h GLY 9 N -0.55 0.23 0.75 8.18 0.00 -0.68 0.48 103.07 111.48 1stu h GLY 9 Ca -0.01 0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1stu h GLY 9 CO 0.03 -0.19 -0.11 -2.22 0.00 0.00 0.00 176.54 174.05 1stu h ILE 10 N -0.06 1.33 0.00 2.60 1.08 -1.21 2.24 117.51 123.50 1stu h ILE 10 Ca 0.21 -1.22 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1stu h ILE 10 Cb 0.38 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 1stu h ILE 10 CO -0.48 0.36 0.00 0.29 -0.69 0.00 0.00 178.15 177.63 1stu n LYS 11 N -4.59 0.03 0.00 2.37 4.01 -0.56 -1.70 118.16 117.73 1stu n LYS 11 Ca -0.06 0.41 0.00 0.00 -0.51 0.00 0.00 58.31 58.15 1stu n LYS 11 Cb 0.33 -1.59 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 1stu n LYS 11 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1stu n ARG 12 N -1.65 2.16 0.00 1.97 0.63 0.16 -4.96 116.66 114.97 1stu n ARG 12 Ca 0.01 -1.27 0.00 0.00 -0.92 0.00 0.00 57.85 55.67 1stu n ARG 12 Cb 0.09 -0.97 0.00 0.00 0.45 0.00 0.00 32.46 32.03 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 -0.39 0.00 -4.58 6.15 2.85 0.50 -4.95 115.26 114.84 1stu n ASN 13 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 1stu n ASN 13 Cb 0.22 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.21 1stu n ASN 13 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1stu s MET 14 N -0.02 3.31 0.31 1.20 -1.94 0.73 -4.47 119.30 118.42 1stu s MET 14 Ca 0.00 0.80 -0.29 0.00 -1.71 0.00 0.00 55.69 54.49 1stu s MET 14 Cb 0.00 -4.14 -0.11 0.00 2.01 0.00 0.00 34.83 32.59 1stu s MET 14 CO 0.00 -1.90 1.54 0.95 -0.01 0.00 0.00 175.02 175.60 1stu s THR 15 N 6.38 2.16 -0.31 2.05 -4.23 -1.26 -2.94 115.64 117.49 1stu s THR 15 Ca 0.62 0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 61.22 1stu s THR 15 Cb -0.14 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.64 1stu s THR 15 CO 0.29 0.02 0.06 -0.69 -0.54 0.00 0.00 174.62 173.76 1stu s VAL 16 N -0.29 3.59 -0.27 2.29 1.01 -1.22 -2.66 120.40 122.86 1stu s VAL 16 Ca 0.60 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1stu s VAL 16 Cb -0.47 -2.96 0.08 0.00 0.00 0.00 0.00 36.38 33.04 1stu s VAL 16 CO 0.51 -0.04 0.06 -1.00 0.00 0.00 0.00 175.10 174.63 1stu s HIS 17 N 1.40 1.74 -0.01 5.22 3.76 -0.76 -4.90 115.29 121.74 1stu s HIS 17 Ca -0.01 -1.59 -0.18 0.00 -0.15 0.00 0.00 55.06 53.13 1stu s HIS 17 Cb -0.18 -1.59 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 1stu s HIS 17 CO 0.01 -0.80 0.52 -0.06 -0.85 0.00 0.00 174.74 173.56 1stu s PHE 18 N 1.61 3.69 -0.24 1.40 0.40 -1.26 -1.19 117.98 122.40 1stu s PHE 18 Ca 0.05 1.10 -0.03 0.00 -0.60 0.00 0.00 56.93 57.45 1stu s PHE 18 Cb -0.17 -2.49 0.13 0.00 0.51 0.00 0.00 43.02 40.99 1stu s PHE 18 CO -0.18 0.44 0.35 0.21 0.70 0.00 0.00 175.22 176.74 1stu s LYS 19 N -0.44 0.32 -0.13 0.44 2.20 0.41 -4.98 119.74 117.56 1stu s LYS 19 Ca 0.28 0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 56.08 1stu s LYS 19 Cb -0.17 -0.59 -0.01 0.00 -1.51 0.00 0.00 37.83 35.54 1stu s LYS 19 CO 0.15 -0.64 1.13 0.08 -0.36 0.00 0.00 175.35 175.71 1stu s VAL 20 N 2.51 4.48 -0.36 4.02 1.01 -1.26 -0.87 120.40 129.94 1stu s VAL 20 Ca 0.12 1.79 0.14 0.00 0.00 0.00 0.00 61.98 64.02 1stu s VAL 20 Cb -0.15 -4.15 -0.18 0.00 0.00 0.00 0.00 36.38 31.90 1stu s VAL 20 CO -0.15 -0.06 0.45 0.18 0.00 0.00 0.00 175.10 175.52 1stu n LEU 21 N 5.67 0.35 -4.34 3.92 4.77 -0.83 -4.94 117.00 121.60 1stu n LEU 21 Ca 0.11 -0.27 -0.27 0.00 -0.03 0.00 0.00 56.01 55.55 1stu n LEU 21 Cb 0.47 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1stu n LEU 21 CO 0.54 0.09 -0.55 -0.60 -1.33 0.00 0.00 177.39 175.54 1stu s ARG 22 N -2.60 1.30 -0.38 3.23 3.52 -1.24 -4.91 118.95 117.88 1stu s ARG 22 Ca 0.00 -1.25 0.07 0.00 -0.13 0.00 0.00 55.73 54.42 1stu s ARG 22 Cb 0.10 -1.68 0.18 0.00 -1.56 0.00 0.00 34.95 31.99 1stu s ARG 22 CO 0.57 0.40 0.58 -1.21 -0.81 0.00 0.00 175.30 174.83 1stu s GLU 23 N -1.93 0.74 0.00 5.12 2.02 -1.26 -3.98 118.70 119.41 1stu s GLU 23 Ca 0.11 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.90 1stu s GLU 23 Cb -0.10 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.12 1stu s GLU 23 CO 0.05 -1.16 0.00 0.39 0.02 0.00 0.00 175.26 174.56 1stu n GLU 24 N 4.59 -0.08 0.00 1.61 4.71 -1.16 -5.00 120.64 125.32 1stu n GLU 24 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1stu n GLU 24 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.98 1stu n GLU 24 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1stu n GLY 25 N 0.00 2.70 0.00 0.62 0.00 -1.26 -4.94 105.19 102.31 1stu n GLY 25 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.83 1.61 -0.01 -1.26 -4.45 135.00 127.06 1stu n PRO 26 Ca 0.00 0.03 -0.29 0.00 -0.01 0.00 0.00 63.50 63.23 1stu n PRO 26 Cb 0.00 -1.03 -0.11 0.00 -0.01 0.00 0.00 33.50 32.35 1stu n PRO 26 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1stu n ALA 27 N -0.58 3.53 -3.16 3.55 0.00 -1.26 -4.74 120.51 117.84 1stu n ALA 27 Ca 0.00 -4.56 -0.03 0.00 0.00 0.00 0.00 53.44 48.85 1stu n ALA 27 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 1stu n ALA 27 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1stu s HIS 28 N -1.54 -1.44 -1.31 0.00 3.76 -1.26 -4.90 115.29 108.59 1stu s HIS 28 Ca 0.26 -0.10 -0.08 0.00 -0.15 0.00 0.00 55.06 54.99 1stu s HIS 28 Cb -0.03 0.19 0.05 0.00 1.11 0.00 0.00 32.58 33.90 1stu s HIS 28 CO -0.15 -1.16 0.48 -0.12 -0.85 0.00 0.00 174.74 172.93 1stu n MET 29 N 4.10 -3.59 -1.51 1.40 1.56 -1.26 -4.30 117.12 113.53 1stu n MET 29 Ca 0.13 0.56 -0.27 0.00 -0.27 0.00 0.00 57.70 57.85 1stu n MET 29 Cb 0.55 -5.29 -0.19 0.00 2.15 0.00 0.00 33.22 30.43 1stu n MET 29 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1stu n LYS 30 N -3.72 0.06 -4.04 2.12 5.02 -1.26 -4.73 118.16 111.61 1stu n LYS 30 Ca -0.04 -0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 56.01 1stu n LYS 30 Cb 0.56 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 34.13 1stu n LYS 30 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1stu n ASN 31 N 7.92 -0.63 -3.66 4.39 4.13 -1.26 0.12 115.26 126.26 1stu n ASN 31 Ca 0.65 -3.00 -0.08 0.00 1.68 0.00 0.00 54.58 53.83 1stu n ASN 31 Cb 0.14 1.52 -0.09 0.00 -1.54 0.00 0.00 39.78 39.81 1stu n ASN 31 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1stu s PHE 32 N -3.23 -0.80 -0.87 3.10 0.40 0.18 -2.99 117.98 113.76 1stu s PHE 32 Ca 0.36 1.55 -0.19 0.00 -0.60 0.00 0.00 56.93 58.05 1stu s PHE 32 Cb 0.02 0.33 0.12 0.00 0.51 0.00 0.00 43.02 44.00 1stu s PHE 32 CO 0.26 -0.47 1.08 0.42 0.70 0.00 0.00 175.22 177.21 1stu s ILE 33 N 2.41 4.65 -0.46 0.64 -1.09 -1.26 -0.59 121.20 125.51 1stu s ILE 33 Ca -0.03 -1.34 -0.24 0.00 -2.23 0.00 0.00 60.65 56.81 1stu s ILE 33 Cb -0.11 -4.75 0.03 0.00 -1.58 0.00 0.00 42.46 36.04 1stu s ILE 33 CO -0.13 -1.49 0.82 -0.89 -1.23 0.00 0.00 174.94 172.02 1stu s THR 34 N 2.94 4.61 -0.15 2.92 2.01 -0.37 -1.97 115.64 125.62 1stu s THR 34 Ca 0.30 0.48 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 1stu s THR 34 Cb -0.08 -4.35 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 1stu s THR 34 CO -0.05 -0.76 1.14 0.00 -0.69 0.00 0.00 174.62 174.26 1stu s ALA 35 N 3.40 3.59 -0.22 7.40 0.00 -0.05 0.47 121.76 136.35 1stu s ALA 35 Ca 0.31 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1stu s ALA 35 Cb -0.12 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.51 1stu s ALA 35 CO 0.23 -0.95 -0.06 0.00 0.00 0.00 0.00 175.76 174.98 1stu s ILE 37 N 1.44 4.16 -0.08 0.00 -1.16 -0.33 -1.38 121.20 123.85 1stu s ILE 37 Ca -0.04 1.92 0.02 0.00 -0.51 0.00 0.00 60.65 62.04 1stu s ILE 37 Cb -0.18 -4.23 0.01 0.00 0.61 0.00 0.00 42.46 38.68 1stu s ILE 37 CO -0.07 0.36 -0.13 -0.69 -2.81 0.00 0.00 174.94 171.60 1stu s VAL 38 N -0.43 1.27 0.00 4.00 1.01 -0.50 -1.82 120.40 123.92 1stu s VAL 38 Ca 0.46 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1stu s VAL 38 Cb -0.26 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1stu s VAL 38 CO 0.32 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1stu n GLY 39 N 4.02 3.16 0.44 4.51 0.00 -1.09 -0.99 105.19 115.24 1stu n GLY 39 Ca -0.21 0.27 0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 6.93 1.94 -4.36 1.61 3.41 -1.26 -4.20 113.62 117.69 1stu n SER 40 Ca 0.00 -1.47 -0.32 0.00 -0.26 0.00 0.00 58.87 56.81 1stu n SER 40 Cb 0.00 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 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 -0.89 2.72 -0.02 -1.33 1.01 -0.16 -5.11 121.20 117.41 1stu s ILE 41 Ca 0.13 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 1stu s ILE 41 Cb 0.09 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 1stu s ILE 41 CO 0.13 0.56 0.26 -0.69 0.00 0.00 0.00 174.94 175.20 1stu s VAL 42 N -0.07 5.31 -0.15 2.92 1.01 -1.26 -1.41 120.40 126.74 1stu s VAL 42 Ca -0.04 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1stu s VAL 42 Cb -0.14 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.74 1stu s VAL 42 CO 0.04 0.45 0.04 0.42 0.00 0.00 0.00 175.10 176.05 1stu s THR 43 N -1.21 0.35 0.02 3.92 -4.23 -0.48 -4.92 115.64 109.10 1stu s THR 43 Ca 0.24 -0.28 -0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1stu s THR 43 Cb -0.13 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.92 1stu s THR 43 CO 0.13 -0.09 0.03 -1.84 -0.54 0.00 0.00 174.62 172.31 1stu n GLU 44 N 5.12 0.18 -3.15 3.99 0.28 -1.26 -1.59 120.64 124.22 1stu n GLU 44 Ca -0.08 -0.06 0.04 0.00 -0.16 0.00 0.00 57.16 56.90 1stu n GLU 44 Cb 0.48 -0.03 -0.01 0.00 1.43 0.00 0.00 31.44 33.32 1stu n GLU 44 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1stu s GLY 45 N -2.86 -1.00 -1.28 -1.84 0.00 0.18 -4.75 107.32 95.76 1stu s GLY 45 Ca 0.02 1.80 -0.19 0.00 0.00 0.00 0.00 44.72 46.35 1stu s GLY 45 CO 0.01 3.45 1.81 -1.84 0.00 0.00 0.00 173.10 176.53 1stu n GLU 46 N 5.43 2.87 -3.02 2.90 0.28 -1.24 -1.24 120.64 126.61 1stu n GLU 46 Ca -0.00 -3.06 -0.40 0.00 -0.16 0.00 0.00 57.16 53.54 1stu n GLU 46 Cb 0.52 -3.51 -0.05 0.00 1.43 0.00 0.00 31.44 29.82 1stu n GLU 46 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1stu s GLY 47 N 4.56 2.81 0.00 -1.84 0.00 0.24 -4.65 107.32 108.44 1stu s GLY 47 Ca 0.56 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.55 1stu s GLY 47 CO 0.08 0.94 0.00 0.70 0.00 0.00 0.00 173.10 174.82 1stu n ASN 48 N 2.33 -0.02 -3.66 1.64 3.02 -1.26 0.49 115.26 117.79 1stu n ASN 48 Ca -0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 1stu n ASN 48 Cb 0.50 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.77 1stu n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1stu n GLY 49 N 0.00 -2.07 3.03 7.41 0.00 0.32 -3.33 105.19 110.55 1stu n GLY 49 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 1stu n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1stu n LYS 50 N -0.42 -1.29 -2.79 1.61 -0.00 -1.26 -2.84 118.16 111.17 1stu n LYS 50 Ca 0.04 -0.38 -0.22 0.00 -0.00 0.00 0.00 58.31 57.75 1stu n LYS 50 Cb 0.27 -1.35 0.02 0.00 -0.00 0.00 0.00 35.03 33.97 1stu n LYS 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1stu n LYS 51 N -0.33 -3.70 0.00 -1.58 0.00 -1.26 -4.40 118.16 106.88 1stu n LYS 51 Ca 0.02 0.95 0.00 0.00 0.00 0.00 0.00 58.31 59.28 1stu n LYS 51 Cb 0.44 -5.74 0.00 0.00 0.00 0.00 0.00 35.03 29.73 1stu n LYS 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1stu n VAL 52 N -4.33 0.00 0.00 3.15 3.14 -1.18 -4.99 118.33 114.12 1stu n VAL 52 Ca -0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1stu n VAL 52 Cb 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.43 1stu n VAL 52 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1stu n SER 53 N -0.08 0.00 -0.05 6.55 7.64 -1.13 0.09 113.62 126.65 1stu n SER 53 Ca 0.00 0.46 -0.08 0.00 1.01 0.00 0.00 58.87 60.26 1stu n SER 53 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1stu n SER 53 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1stu h LYS 54 N 0.00 -0.25 -0.65 1.43 2.10 -1.91 0.23 116.57 117.52 1stu h LYS 54 Ca 0.00 0.02 0.19 0.00 -2.00 0.00 0.00 60.65 58.85 1stu h LYS 54 Cb 0.00 0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.36 1stu h LYS 54 CO 0.00 -0.17 0.48 -0.22 -2.00 0.00 0.00 179.45 177.54 1stu h LYS 55 N -0.26 0.00 -0.05 0.07 3.64 -1.94 -0.03 116.57 118.00 1stu h LYS 55 Ca 0.13 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 1stu h LYS 55 Cb 0.47 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1stu h LYS 55 CO -0.39 0.00 -0.43 -0.09 -2.27 0.00 0.00 179.45 176.27 1stu h ARG 56 N 0.00 0.37 0.72 1.90 9.65 0.29 -1.32 114.38 126.00 1stu h ARG 56 Ca 0.31 -0.34 -0.04 0.00 -1.10 0.00 0.00 59.98 58.81 1stu h ARG 56 Cb 1.27 0.08 0.01 0.00 -1.39 0.00 0.00 29.97 29.93 1stu h ARG 56 CO -0.00 0.99 -0.35 0.00 2.80 0.00 0.00 179.97 183.41 1stu h ALA 57 N 0.39 -0.97 -0.39 2.80 0.00 0.30 -0.78 119.26 120.61 1stu h ALA 57 Ca -0.04 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.72 1stu h ALA 57 Cb 1.11 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 1stu h ALA 57 CO 0.09 -1.03 0.04 0.00 0.00 0.00 0.00 179.25 178.35 1stu h ALA 58 N -0.74 0.39 -0.98 0.00 0.00 -1.32 0.22 119.26 116.83 1stu h ALA 58 Ca -0.10 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.05 1stu h ALA 58 Cb 0.75 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 1stu h ALA 58 CO 0.16 -0.36 0.62 0.93 0.00 0.00 0.00 179.25 180.60 1stu h GLU 59 N 0.16 0.84 -0.71 0.00 4.39 -1.11 0.68 114.58 118.83 1stu h GLU 59 Ca 0.19 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1stu h GLU 59 Cb 0.25 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1stu h GLU 59 CO -0.28 0.55 0.39 -0.22 -1.16 0.00 0.00 179.01 178.29 1stu h LYS 60 N 0.86 0.98 0.00 2.33 3.11 0.90 -0.02 116.57 124.73 1stu h LYS 60 Ca 0.51 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 58.24 1stu h LYS 60 Cb 0.66 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 1stu h LYS 60 CO -0.28 0.72 0.00 -1.33 -2.81 0.00 0.00 179.45 175.75 1stu n MET 61 N -4.37 0.00 -0.19 1.90 2.81 0.22 -0.24 117.12 117.25 1stu n MET 61 Ca 0.07 0.42 -0.00 0.00 -1.81 0.00 0.00 57.70 56.38 1stu n MET 61 Cb 0.10 -1.17 0.08 0.00 -0.71 0.00 0.00 33.22 31.52 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 -0.34 -1.22 4.03 3.38 -1.14 0.68 115.31 120.69 1stu h LEU 62 Ca 0.00 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1stu h LEU 62 Cb 0.00 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1stu h LEU 62 CO 0.00 -0.13 0.52 0.58 0.09 0.00 0.00 178.44 179.50 1stu h VAL 63 N 0.08 1.20 0.50 1.22 2.07 -1.11 -1.48 116.25 118.74 1stu h VAL 63 Ca 0.30 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1stu h VAL 63 Cb 0.47 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1stu h VAL 63 CO -0.53 0.20 -0.46 -0.33 0.02 0.00 0.00 177.57 176.47 1stu h GLU 64 N 1.07 -0.91 -0.41 1.57 4.39 0.35 -0.88 114.58 119.76 1stu h GLU 64 Ca 0.29 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 1stu h GLU 64 Cb -0.12 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1stu h GLU 64 CO -0.06 -0.61 0.23 1.37 -1.16 0.00 0.00 179.01 178.78 1stu h LEU 65 N -0.95 0.49 -1.55 1.33 -0.00 -1.04 -1.35 115.31 112.25 1stu h LEU 65 Ca -0.06 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 57.74 1stu h LEU 65 Cb 0.81 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 1stu h LEU 65 CO -0.03 0.40 -0.24 1.56 -0.00 0.00 0.00 178.44 180.13 1stu h GLN 66 N 0.57 0.00 -0.01 0.17 1.08 -0.82 -2.02 115.11 114.08 1stu h GLN 66 Ca 0.15 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.23 1stu h GLN 66 Cb 0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1stu h GLN 66 CO -0.03 0.24 -0.54 0.87 -0.95 0.00 0.00 178.83 178.42 1stu h LYS 67 N 0.00 0.01 0.00 1.46 1.57 0.01 -3.51 116.57 116.12 1stu h LYS 67 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1stu h LYS 67 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1stu h LYS 67 CO 0.03 0.55 0.00 1.28 -0.57 0.00 0.00 179.45 180.74