#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1stu n ILE 2 N 0.00 1.53 -0.28 4.25 2.08 -1.26 -4.01 119.36 121.67 1stu n ILE 2 Ca 0.00 -0.26 0.09 0.00 0.56 0.00 0.00 62.75 63.14 1stu n ILE 2 Cb 0.00 -1.96 0.23 0.00 -0.75 0.00 0.00 39.64 37.16 1stu n ILE 2 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1stu h SER 3 N -1.00 -0.11 0.56 4.38 0.87 -2.01 -0.25 113.55 116.00 1stu h SER 3 Ca -0.57 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 1stu h SER 3 Cb 1.48 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 63.70 1stu h SER 3 CO -0.34 -0.14 -0.50 0.06 -0.53 0.00 0.00 176.83 175.38 1stu h GLN 4 N 0.19 -1.01 -0.04 2.24 -0.00 -2.00 -0.37 115.11 114.11 1stu h GLN 4 Ca 0.48 0.07 0.01 0.00 -0.00 0.00 0.00 58.65 59.21 1stu h GLN 4 Cb 0.91 0.23 -0.01 0.00 -0.00 0.00 0.00 27.48 28.61 1stu h GLN 4 CO -0.63 -0.67 -0.07 0.28 -0.00 0.00 0.00 178.83 177.74 1stu h VAL 5 N -1.05 0.00 -0.93 1.86 2.07 -1.24 0.39 116.25 117.34 1stu h VAL 5 Ca -0.07 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.81 1stu h VAL 5 Cb 0.89 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.52 1stu h VAL 5 CO -0.03 0.00 0.53 1.41 0.02 0.00 0.00 177.57 179.51 1stu n HIS 6 N -3.01 0.88 -0.04 1.57 8.25 -0.37 0.90 115.22 123.40 1stu n HIS 6 Ca -0.01 0.89 -0.12 0.00 -0.26 0.00 0.00 57.72 58.22 1stu n HIS 6 Cb 0.04 -1.30 -0.07 0.00 1.12 0.00 0.00 29.99 29.78 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 0.20 0.06 -0.41 -0.00 0.15 -1.70 114.58 112.88 1stu h GLU 7 Ca 0.72 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.36 60.01 1stu h GLU 7 Cb 2.03 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.77 1stu h GLU 7 CO -0.58 0.49 -0.03 0.97 -0.00 0.00 0.00 179.01 179.86 1stu h ILE 8 N -0.11 1.20 -0.43 -1.06 -0.00 0.18 -0.29 117.51 117.00 1stu h ILE 8 Ca 0.03 -1.57 0.09 0.00 -0.00 0.00 0.00 64.86 63.40 1stu h ILE 8 Cb 0.41 2.12 -0.09 0.00 -0.00 0.00 0.00 36.82 39.26 1stu h ILE 8 CO 0.01 0.35 -0.28 1.23 -0.00 0.00 0.00 178.15 179.46 1stu h GLY 9 N -0.87 -0.10 1.03 8.18 0.00 -0.66 0.46 103.07 111.10 1stu h GLY 9 Ca -0.01 0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 1stu h GLY 9 CO 0.01 -0.21 -0.05 -2.22 0.00 0.00 0.00 176.54 174.08 1stu h ILE 10 N -0.20 1.27 0.00 2.60 1.08 -1.31 2.23 117.51 123.17 1stu h ILE 10 Ca 0.19 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 1stu h ILE 10 Cb 0.51 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1stu h ILE 10 CO -0.54 0.40 0.00 0.29 -0.69 0.00 0.00 178.15 177.61 1stu n LYS 11 N -4.27 0.11 -0.01 2.37 5.02 0.03 -1.70 118.16 119.71 1stu n LYS 11 Ca 0.01 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1stu n LYS 11 Cb 0.35 -1.81 0.01 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.03 2.14 -0.08 1.97 3.00 0.14 -4.96 116.66 116.84 1stu n ARG 12 Ca 0.00 -1.28 0.00 0.00 -0.00 0.00 0.00 57.85 56.57 1stu n ARG 12 Cb 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 32.46 31.66 1stu n ARG 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1stu n ASN 13 N -0.40 0.00 -4.56 6.15 5.15 0.76 -4.93 115.26 117.43 1stu n ASN 13 Ca 0.01 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.63 1stu n ASN 13 Cb 0.33 -0.03 -0.04 0.00 -0.53 0.00 0.00 39.78 39.52 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 3.16 0.99 1.20 -1.94 0.72 -4.38 119.30 119.05 1stu s MET 14 Ca 0.00 -0.69 -0.16 0.00 -1.71 0.00 0.00 55.69 53.13 1stu s MET 14 Cb 0.00 -5.12 -0.11 0.00 2.01 0.00 0.00 34.83 31.61 1stu s MET 14 CO 0.00 -2.63 -0.53 2.41 -0.01 0.00 0.00 175.02 174.25 1stu n THR 15 N 7.21 0.00 -3.80 2.05 -1.04 -1.26 -3.39 114.28 114.06 1stu n THR 15 Ca 0.33 -0.43 -0.30 0.00 -2.04 0.00 0.00 64.05 61.61 1stu n THR 15 Cb 0.49 -0.14 -0.14 0.00 -1.82 0.00 0.00 70.33 68.72 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 -2.09 1.41 -0.51 12.58 1.01 -1.15 -3.16 120.40 128.49 1stu s VAL 16 Ca 0.44 -2.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.37 1stu s VAL 16 Cb -0.19 -2.03 0.13 0.00 0.00 0.00 0.00 36.38 34.30 1stu s VAL 16 CO 0.79 -0.73 0.31 -1.00 0.00 0.00 0.00 175.10 174.47 1stu s HIS 17 N 1.00 3.47 -0.26 5.22 3.76 -0.87 -4.80 115.29 122.81 1stu s HIS 17 Ca 0.13 -2.68 -0.29 0.00 -0.15 0.00 0.00 55.06 52.07 1stu s HIS 17 Cb -0.20 -3.15 0.01 0.00 1.11 0.00 0.00 32.58 30.35 1stu s HIS 17 CO -0.13 -0.89 1.03 -0.06 -0.85 0.00 0.00 174.74 173.85 1stu s PHE 18 N 0.41 3.27 -0.19 1.40 0.08 -1.26 -1.39 117.98 120.30 1stu s PHE 18 Ca 0.13 1.34 -0.05 0.00 0.12 0.00 0.00 56.93 58.47 1stu s PHE 18 Cb -0.22 -3.40 0.09 0.00 -0.57 0.00 0.00 43.02 38.93 1stu s PHE 18 CO -0.04 -0.58 0.33 0.21 -0.10 0.00 0.00 175.22 175.05 1stu s LYS 19 N 3.33 0.26 -0.24 0.44 2.20 -0.15 -4.98 119.74 120.59 1stu s LYS 19 Ca 0.44 0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 56.46 1stu s LYS 19 Cb -0.14 -0.20 0.01 0.00 -1.51 0.00 0.00 37.83 35.99 1stu s LYS 19 CO 0.09 -0.42 1.12 0.08 -0.36 0.00 0.00 175.35 175.87 1stu s VAL 20 N 2.50 4.50 -0.62 4.02 1.01 -1.26 -0.92 120.40 129.63 1stu s VAL 20 Ca 0.04 1.78 0.07 0.00 0.00 0.00 0.00 61.98 63.87 1stu s VAL 20 Cb -0.13 -4.25 0.19 0.00 0.00 0.00 0.00 36.38 32.19 1stu s VAL 20 CO -0.12 -0.27 1.14 0.00 0.00 0.00 0.00 175.10 175.85 1stu n LEU 21 N 6.64 2.54 -3.54 3.92 -0.00 -1.08 -4.94 117.00 120.55 1stu n LEU 21 Ca 0.13 -1.94 -0.13 0.00 -0.00 0.00 0.00 56.01 54.07 1stu n LEU 21 Cb 0.46 -0.14 -0.04 0.00 -0.00 0.00 0.00 43.42 43.70 1stu n LEU 21 CO 0.56 0.63 0.29 -0.13 -0.00 0.00 0.00 177.39 178.74 1stu s ARG 22 N -0.98 1.12 -0.33 1.47 1.81 -1.23 -4.98 118.95 115.83 1stu s ARG 22 Ca 0.15 -0.41 0.16 0.00 -1.72 0.00 0.00 55.73 53.90 1stu s ARG 22 Cb 0.08 0.51 0.44 0.00 -0.45 0.00 0.00 34.95 35.53 1stu s ARG 22 CO 0.10 -0.44 1.17 -0.85 -0.68 0.00 0.00 175.30 174.60 1stu n GLU 23 N 0.01 1.30 -1.65 3.54 -0.00 -1.26 -2.32 120.64 120.26 1stu n GLU 23 Ca -0.17 -2.64 -0.59 0.00 -0.00 0.00 0.00 57.16 53.76 1stu n GLU 23 Cb 0.63 -0.76 -0.08 0.00 -0.00 0.00 0.00 31.44 31.22 1stu n GLU 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1stu n GLU 24 N -0.52 0.82 0.00 3.44 1.02 -1.24 -4.64 120.64 119.52 1stu n GLU 24 Ca 0.02 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1stu n GLU 24 Cb 0.83 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1stu n GLU 24 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1stu n GLY 25 N 4.75 -1.14 0.00 0.62 0.00 -1.25 -1.55 105.19 106.62 1stu n GLY 25 Ca 0.32 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1stu n GLY 25 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1stu n PRO 26 N 0.00 0.00 -0.29 1.61 -0.05 -1.26 -4.48 135.00 130.53 1stu n PRO 26 Ca 0.00 0.26 0.06 0.00 -0.05 0.00 0.00 63.50 63.77 1stu n PRO 26 Cb 0.00 -1.21 0.09 0.00 -0.05 0.00 0.00 33.50 32.33 1stu n PRO 26 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1stu n ALA 27 N -1.27 2.24 -3.58 0.55 0.00 -1.26 -5.04 120.51 112.14 1stu n ALA 27 Ca 0.00 -2.07 -0.13 0.00 0.00 0.00 0.00 53.44 51.24 1stu n ALA 27 Cb 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 1stu n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1stu s HIS 28 N -1.78 -0.53 -0.61 0.00 0.00 -1.26 -5.02 115.29 106.09 1stu s HIS 28 Ca 0.21 1.06 -0.12 0.00 -3.00 0.00 0.00 55.06 53.22 1stu s HIS 28 Cb 0.19 0.39 0.02 0.00 -4.00 0.00 0.00 32.58 29.18 1stu s HIS 28 CO 0.01 -0.39 0.65 -1.33 -1.00 0.00 0.00 174.74 172.67 1stu n MET 29 N 1.39 -1.81 -2.73 -0.38 2.00 -1.26 -4.47 117.12 109.86 1stu n MET 29 Ca -0.14 1.57 -0.42 0.00 0.00 0.00 0.00 57.70 58.71 1stu n MET 29 Cb 0.57 -4.55 -0.03 0.00 0.00 0.00 0.00 33.22 29.21 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 -3.12 3.61 0.50 0.03 -0.14 -1.26 -3.86 119.74 115.51 1stu s LYS 30 Ca 0.14 -1.45 0.06 0.00 -1.36 0.00 0.00 55.97 53.36 1stu s LYS 30 Cb -0.03 -5.17 0.06 0.00 -1.68 0.00 0.00 37.83 31.01 1stu s LYS 30 CO 0.80 -2.01 0.46 0.09 -0.76 0.00 0.00 175.35 173.93 1stu n ASN 31 N 7.80 2.42 -3.68 2.83 3.02 -0.59 0.17 115.26 127.21 1stu n ASN 31 Ca 0.30 -2.63 -0.11 0.00 -0.03 0.00 0.00 54.58 52.11 1stu n ASN 31 Cb 0.50 -0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.43 1stu n ASN 31 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1stu s PHE 32 N -2.41 -0.60 -0.87 3.10 0.40 -0.48 -3.68 117.98 113.44 1stu s PHE 32 Ca 0.35 1.25 -0.19 0.00 -0.60 0.00 0.00 56.93 57.74 1stu s PHE 32 Cb -0.03 0.21 0.12 0.00 0.51 0.00 0.00 43.02 43.83 1stu s PHE 32 CO 0.22 -0.37 1.09 0.42 0.70 0.00 0.00 175.22 177.28 1stu s ILE 33 N 1.88 4.65 -0.35 0.64 -1.09 -0.98 0.06 121.20 126.01 1stu s ILE 33 Ca -0.06 -1.33 -0.22 0.00 -2.23 0.00 0.00 60.65 56.81 1stu s ILE 33 Cb -0.10 -4.76 0.00 0.00 -1.58 0.00 0.00 42.46 36.02 1stu s ILE 33 CO -0.12 -1.49 0.71 -0.89 -1.23 0.00 0.00 174.94 171.92 1stu s THR 34 N 2.96 4.82 -0.28 2.92 2.01 -0.35 -2.62 115.64 125.10 1stu s THR 34 Ca 0.30 0.80 -0.28 0.00 0.31 0.00 0.00 61.69 62.82 1stu s THR 34 Cb -0.08 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1stu s THR 34 CO -0.06 -0.34 1.03 0.00 -0.69 0.00 0.00 174.62 174.56 1stu s ALA 35 N 2.89 3.59 -0.26 7.40 0.00 -0.09 0.29 121.76 135.57 1stu s ALA 35 Ca 0.28 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 1stu s ALA 35 Cb -0.14 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1stu s ALA 35 CO 0.15 -1.25 -0.00 0.00 0.00 0.00 0.00 175.76 174.66 1stu s ILE 37 N 1.42 4.26 -0.06 0.00 -1.16 -0.49 -1.12 121.20 124.04 1stu s ILE 37 Ca 0.02 1.89 -0.01 0.00 -0.51 0.00 0.00 60.65 62.03 1stu s ILE 37 Cb -0.16 -4.21 0.03 0.00 0.61 0.00 0.00 42.46 38.73 1stu s ILE 37 CO -0.01 0.29 0.01 0.54 -2.81 0.00 0.00 174.94 172.96 1stu s VAL 38 N -0.03 0.27 0.00 4.00 0.11 -0.28 -2.05 120.40 122.42 1stu s VAL 38 Ca 0.48 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1stu s VAL 38 Cb -0.26 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 1stu s VAL 38 CO 0.31 0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.93 1stu n GLY 39 N 5.11 0.00 0.18 6.54 0.00 -1.23 -0.08 105.19 115.71 1stu n GLY 39 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1stu n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1stu n SER 40 N 0.00 -0.46 -0.79 1.61 7.64 -1.26 -4.77 113.62 115.59 1stu n SER 40 Ca 0.00 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1stu n SER 40 Cb 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1stu n SER 40 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1stu n ILE 41 N -4.44 0.00 -3.81 0.44 -6.64 0.89 -5.15 119.36 100.65 1stu n ILE 41 Ca 0.01 0.00 -0.37 0.00 -1.77 0.00 0.00 62.75 60.62 1stu n ILE 41 Cb 0.11 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.25 1stu n ILE 41 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 1stu s VAL 42 N -2.97 5.44 -0.25 7.28 1.01 -1.26 -1.13 120.40 128.52 1stu s VAL 42 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1stu s VAL 42 Cb 0.00 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 33.00 1stu s VAL 42 CO 0.00 0.59 -0.03 -0.89 0.00 0.00 0.00 175.10 174.77 1stu s THR 43 N -0.87 1.50 0.00 3.92 2.01 -0.28 -4.91 115.64 117.00 1stu s THR 43 Ca 0.15 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 60.85 1stu s THR 43 Cb -0.12 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.56 1stu s THR 43 CO 0.05 -0.19 0.00 -1.84 -0.69 0.00 0.00 174.62 171.94 1stu n GLU 44 N 4.67 0.24 -3.26 4.92 0.28 -1.26 -1.78 120.64 124.44 1stu n GLU 44 Ca -0.10 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 56.93 1stu n GLU 44 Cb 0.44 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.29 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 -2.68 -0.74 -1.26 -1.84 0.00 0.15 -4.71 107.32 96.23 1stu s GLY 45 Ca 0.00 2.24 -0.19 0.00 0.00 0.00 0.00 44.72 46.77 1stu s GLY 45 CO 0.00 3.40 1.76 -1.83 0.00 0.00 0.00 173.10 176.44 1stu s GLU 46 N 2.85 3.68 1.43 2.90 -1.05 -1.24 -1.21 118.70 126.05 1stu s GLU 46 Ca 0.10 -1.79 -0.23 0.00 -0.15 0.00 0.00 54.97 52.90 1stu s GLU 46 Cb -0.13 -5.47 0.37 0.00 -0.44 0.00 0.00 34.13 28.46 1stu s GLU 46 CO -0.18 -2.59 0.93 0.20 0.95 0.00 0.00 175.26 174.57 1stu s GLY 47 N 4.71 1.41 -0.30 -3.83 0.00 0.11 -4.56 107.32 104.87 1stu s GLY 47 Ca 0.56 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 44.47 1stu s GLY 47 CO 0.08 0.20 0.08 0.54 0.00 0.00 0.00 173.10 173.99 1stu s ASN 48 N -3.15 4.05 0.00 1.64 4.22 -1.26 -1.38 114.94 119.06 1stu s ASN 48 Ca 0.69 -1.62 0.00 0.00 -2.14 0.00 0.00 52.86 49.78 1stu s ASN 48 Cb -0.13 -0.98 0.00 0.00 1.28 0.00 0.00 41.25 41.42 1stu s ASN 48 CO 0.58 -0.39 0.00 0.61 -2.04 0.00 0.00 177.10 175.86 1stu n GLY 49 N 4.76 3.04 3.89 0.45 0.00 0.13 -4.93 105.19 112.53 1stu n GLY 49 Ca -0.02 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 1stu n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1stu s LYS 50 N -2.71 2.83 -1.53 1.61 -2.85 -1.26 -3.51 119.74 112.32 1stu s LYS 50 Ca 0.00 0.39 0.00 0.00 -1.00 0.00 0.00 55.97 55.36 1stu s LYS 50 Cb 0.00 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.72 1stu s LYS 50 CO 0.00 -1.02 0.00 1.63 0.10 0.00 0.00 175.35 176.06 1stu n LYS 51 N -2.97 -1.47 0.00 1.78 5.02 -1.26 -4.65 118.16 114.61 1stu n LYS 51 Ca 0.07 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1stu n LYS 51 Cb 0.57 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 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 -2.05 0.00 -0.28 -0.18 3.14 -1.23 -4.72 118.33 113.01 1stu n VAL 52 Ca -0.14 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.35 1stu n VAL 52 Cb 0.54 -0.51 0.23 0.00 -1.06 0.00 0.00 33.84 33.03 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 -2.19 -0.12 -0.05 6.55 7.64 -1.25 0.85 113.62 125.05 1stu n SER 53 Ca 0.00 1.39 -0.11 0.00 1.01 0.00 0.00 58.87 61.16 1stu n SER 53 Cb 0.41 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 1stu n SER 53 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1stu h LYS 54 N 0.00 0.29 0.43 1.43 1.63 -1.94 -0.92 116.57 117.49 1stu h LYS 54 Ca 0.48 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 60.19 1stu h LYS 54 Cb 0.97 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1stu h LYS 54 CO -0.78 0.46 -0.24 0.87 -3.45 0.00 0.00 179.45 176.31 1stu h LYS 55 N 0.07 -0.59 -0.38 1.90 1.57 0.17 -1.32 116.57 117.98 1stu h LYS 55 Ca 0.05 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1stu h LYS 55 Cb 0.32 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.69 1stu h LYS 55 CO 0.00 -0.40 -0.51 0.00 -0.57 0.00 0.00 179.45 177.98 1stu h ARG 56 N -0.62 -0.34 -0.90 3.15 2.47 -1.14 0.15 114.38 117.14 1stu h ARG 56 Ca -0.06 0.02 0.24 0.00 -1.26 0.00 0.00 59.98 58.93 1stu h ARG 56 Cb 0.49 0.08 -0.16 0.00 -1.65 0.00 0.00 29.97 28.73 1stu h ARG 56 CO 0.07 -0.23 0.10 0.00 0.56 0.00 0.00 179.97 180.47 1stu h ALA 57 N -0.16 1.14 0.42 0.04 0.00 -1.13 -0.46 119.26 119.11 1stu h ALA 57 Ca 0.07 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1stu h ALA 57 Cb 0.54 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1stu h ALA 57 CO -0.54 -0.52 -0.20 0.00 0.00 0.00 0.00 179.25 177.99 1stu h ALA 58 N 1.86 -1.01 -0.59 0.00 0.00 0.45 -0.23 119.26 119.74 1stu h ALA 58 Ca 0.55 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1stu h ALA 58 Cb 1.11 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 19.02 1stu h ALA 58 CO -0.78 -0.97 -0.56 0.93 0.00 0.00 0.00 179.25 177.88 1stu h GLU 59 N -0.64 -0.26 -0.87 0.00 5.08 -0.61 0.83 114.58 118.10 1stu h GLU 59 Ca -0.06 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.54 1stu h GLU 59 Cb 0.44 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 29.59 1stu h GLU 59 CO 0.10 -0.18 0.02 -0.22 -1.00 0.00 0.00 179.01 177.73 1stu h LYS 60 N -0.27 0.07 0.00 2.33 3.64 -1.12 0.21 116.57 121.43 1stu h LYS 60 Ca 0.11 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1stu h LYS 60 Cb 0.54 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1stu h LYS 60 CO -0.70 0.05 0.00 -0.12 -2.27 0.00 0.00 179.45 176.41 1stu n MET 61 N -5.40 0.00 -0.03 1.90 1.56 0.27 -0.41 117.12 115.00 1stu n MET 61 Ca 0.18 0.38 -0.03 0.00 -0.27 0.00 0.00 57.70 57.97 1stu n MET 61 Cb 0.60 -1.38 -0.02 0.00 2.15 0.00 0.00 33.22 34.57 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 -0.41 -1.66 -0.89 3.38 -0.42 0.79 115.31 116.11 1stu h LEU 62 Ca 0.00 0.05 0.47 0.00 0.09 0.00 0.00 57.88 58.50 1stu h LEU 62 Cb 0.00 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.81 1stu h LEU 62 CO 0.00 -0.08 1.04 0.58 0.09 0.00 0.00 178.44 180.07 1stu h VAL 63 N -0.08 0.11 0.38 1.22 2.07 -0.69 0.73 116.25 119.99 1stu h VAL 63 Ca 0.02 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1stu h VAL 63 Cb 0.12 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1stu h VAL 63 CO -0.13 0.01 -0.18 -0.33 0.02 0.00 0.00 177.57 176.95 1stu h GLU 64 N 0.05 -0.50 -0.27 1.57 3.07 0.34 -3.23 114.58 115.61 1stu h GLU 64 Ca 0.84 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.73 1stu h GLU 64 Cb 2.95 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 30.97 1stu h GLU 64 CO -0.25 -0.33 0.00 1.47 -1.40 0.00 0.00 179.01 178.50 1stu n LEU 65 N -4.05 1.33 0.02 1.33 -0.00 -0.41 -3.46 117.00 111.75 1stu n LEU 65 Ca -0.06 -0.67 0.11 0.00 -0.00 0.00 0.00 56.01 55.39 1stu n LEU 65 Cb 0.20 -0.18 -0.07 0.00 -0.00 0.00 0.00 43.42 43.38 1stu n LEU 65 CO 0.15 0.32 -0.24 0.00 -0.00 0.00 0.00 177.39 177.63 1stu n GLN 66 N 0.19 0.36 0.03 1.47 1.13 0.24 -4.19 117.38 116.62 1stu n GLN 66 Ca 0.08 -0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 54.97 1stu n GLN 66 Cb 0.22 -1.57 -0.14 0.00 0.11 0.00 0.00 30.24 28.87 1stu n GLN 66 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1stu h LYS 67 N 0.00 0.11 0.00 -1.09 6.56 -1.58 -3.49 116.57 117.07 1stu h LYS 67 Ca 0.00 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.41 1stu h LYS 67 Cb 0.78 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 1stu h LYS 67 CO 0.00 0.89 0.00 1.28 -2.06 0.00 0.00 179.45 179.56