#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 0.00 -0.88 0.52 1.08 -1.87 -1.83 117.51 114.52 1stu h ILE 2 Ca 0.00 -0.33 0.17 0.00 -0.39 0.00 0.00 64.86 64.31 1stu h ILE 2 Cb 0.00 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.65 1stu h ILE 2 CO 0.00 0.00 0.46 0.77 -0.69 0.00 0.00 178.15 178.69 1stu h SER 3 N -0.64 0.54 0.24 1.72 4.64 -2.01 -0.52 113.55 117.52 1stu h SER 3 Ca -0.03 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1stu h SER 3 Cb 0.24 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1stu h SER 3 CO 0.05 0.20 -0.22 1.56 -0.87 0.00 0.00 176.83 177.55 1stu h GLN 4 N 0.61 -0.47 0.07 4.77 4.20 -2.00 -0.52 115.11 121.77 1stu h GLN 4 Ca 0.50 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.24 1stu h GLN 4 Cb 0.76 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1stu h GLN 4 CO -0.39 -0.31 -0.10 0.28 -0.67 0.00 0.00 178.83 177.63 1stu h VAL 5 N -0.48 0.00 -0.83 -0.54 2.07 -0.28 0.38 116.25 116.57 1stu h VAL 5 Ca -0.01 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.84 1stu h VAL 5 Cb 0.44 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.08 1stu h VAL 5 CO -0.04 0.00 0.48 1.41 0.02 0.00 0.00 177.57 179.45 1stu n HIS 6 N -2.98 0.78 0.28 1.57 8.25 -0.35 0.93 115.22 123.71 1stu n HIS 6 Ca -0.02 0.78 -0.15 0.00 -0.26 0.00 0.00 57.72 58.07 1stu n HIS 6 Cb 0.09 -1.20 -0.08 0.00 1.12 0.00 0.00 29.99 29.91 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 -0.69 0.14 -0.41 5.08 0.74 -1.69 114.58 117.75 1stu h GLU 7 Ca 0.64 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 59.04 1stu h GLU 7 Cb 1.82 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1stu h GLU 7 CO -0.51 -0.39 -0.07 0.97 -1.00 0.00 0.00 179.01 178.01 1stu h ILE 8 N -0.92 0.94 -0.78 3.13 -0.00 0.16 -1.24 117.51 118.80 1stu h ILE 8 Ca -0.07 -1.15 0.17 0.00 -0.00 0.00 0.00 64.86 63.81 1stu h ILE 8 Cb 0.62 1.56 -0.14 0.00 -0.00 0.00 0.00 36.82 38.86 1stu h ILE 8 CO 0.12 0.24 -0.06 1.23 -0.00 0.00 0.00 178.15 179.68 1stu h GLY 9 N -0.81 0.78 0.76 8.18 0.00 -0.40 0.31 103.07 111.89 1stu h GLY 9 Ca -0.02 0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 1stu h GLY 9 CO 0.03 -0.31 -0.43 -2.22 0.00 0.00 0.00 176.54 173.62 1stu h ILE 10 N 0.06 1.41 0.00 2.60 1.08 -1.34 2.42 117.51 123.74 1stu h ILE 10 Ca 0.41 -1.83 0.00 0.00 -0.39 0.00 0.00 64.86 63.06 1stu h ILE 10 Cb 0.71 2.34 0.00 0.00 -3.07 0.00 0.00 36.82 36.80 1stu h ILE 10 CO -0.73 0.53 0.00 0.29 -0.69 0.00 0.00 178.15 177.56 1stu n LYS 11 N -4.33 0.04 0.00 2.37 5.02 -0.39 -1.63 118.16 119.24 1stu n LYS 11 Ca -0.09 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1stu n LYS 11 Cb 0.56 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.67 2.20 -0.35 1.97 5.12 0.94 -4.95 116.66 119.93 1stu n ARG 12 Ca 0.01 -1.29 0.00 0.00 -1.93 0.00 0.00 57.85 54.64 1stu n ARG 12 Cb 0.09 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 1stu n ARG 12 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1stu n ASN 13 N -0.40 0.00 -4.56 0.55 2.85 -0.52 -4.93 115.26 108.25 1stu n ASN 13 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 1stu n ASN 13 Cb 0.21 -0.11 -0.03 0.00 1.24 0.00 0.00 39.78 41.09 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 3.54 1.00 1.20 -1.94 0.80 -4.28 119.30 119.59 1stu s MET 14 Ca 0.00 -1.08 -0.18 0.00 -1.71 0.00 0.00 55.69 52.72 1stu s MET 14 Cb 0.00 -5.35 -0.12 0.00 2.01 0.00 0.00 34.83 31.37 1stu s MET 14 CO 0.00 -2.27 -0.70 2.41 -0.01 0.00 0.00 175.02 174.45 1stu n THR 15 N 6.94 0.00 -3.67 2.05 -1.04 -1.24 -3.50 114.28 113.82 1stu n THR 15 Ca 0.33 -0.40 -0.29 0.00 -2.04 0.00 0.00 64.05 61.65 1stu n THR 15 Cb 0.51 -0.10 -0.13 0.00 -1.82 0.00 0.00 70.33 68.78 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 -2.06 0.95 -0.49 12.58 1.01 -1.09 -2.99 120.40 128.31 1stu s VAL 16 Ca 0.42 -1.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.37 1stu s VAL 16 Cb -0.15 -1.69 0.13 0.00 0.00 0.00 0.00 36.38 34.67 1stu s VAL 16 CO 0.79 -0.84 0.32 -1.00 0.00 0.00 0.00 175.10 174.37 1stu s HIS 17 N 0.94 3.51 -0.26 5.22 3.76 -0.86 -4.80 115.29 122.80 1stu s HIS 17 Ca 0.15 -2.28 -0.25 0.00 -0.15 0.00 0.00 55.06 52.54 1stu s HIS 17 Cb -0.22 -3.34 -0.00 0.00 1.11 0.00 0.00 32.58 30.13 1stu s HIS 17 CO -0.08 -0.96 0.85 -0.06 -0.85 0.00 0.00 174.74 173.64 1stu s PHE 18 N 0.94 3.29 -0.20 1.40 0.08 -1.26 -1.28 117.98 120.95 1stu s PHE 18 Ca 0.10 1.11 -0.05 0.00 0.12 0.00 0.00 56.93 58.20 1stu s PHE 18 Cb -0.23 -3.12 0.10 0.00 -0.57 0.00 0.00 43.02 39.20 1stu s PHE 18 CO -0.03 -0.45 0.37 0.15 -0.10 0.00 0.00 175.22 175.16 1stu s LYS 19 N 2.92 0.29 -0.07 0.44 -0.14 -0.23 -5.00 119.74 117.95 1stu s LYS 19 Ca 0.35 0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 55.46 1stu s LYS 19 Cb -0.15 -0.05 -0.02 0.00 -1.68 0.00 0.00 37.83 35.93 1stu s LYS 19 CO 0.08 -0.39 1.06 0.08 -0.76 0.00 0.00 175.35 175.42 1stu s VAL 20 N 2.54 4.64 0.00 3.17 1.01 -1.26 -1.11 120.40 129.39 1stu s VAL 20 Ca 0.04 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1stu s VAL 20 Cb -0.13 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1stu s VAL 20 CO -0.13 0.04 0.81 0.00 0.00 0.00 0.00 175.10 175.81 1stu n LEU 21 N 4.80 1.29 -3.90 3.92 -0.00 -1.18 -4.92 117.00 117.01 1stu n LEU 21 Ca 0.09 -1.29 -0.09 0.00 -0.00 0.00 0.00 56.01 54.72 1stu n LEU 21 Cb 0.48 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.82 1stu n LEU 21 CO 0.53 0.32 -0.16 -0.60 -0.00 0.00 0.00 177.39 177.48 1stu s ARG 22 N -0.63 0.68 -0.21 1.47 3.52 -1.20 -4.95 118.95 117.63 1stu s ARG 22 Ca 0.00 -0.80 -0.22 0.00 -0.13 0.00 0.00 55.73 54.58 1stu s ARG 22 Cb 0.00 0.27 0.06 0.00 -1.56 0.00 0.00 34.95 33.72 1stu s ARG 22 CO 0.00 -0.19 0.62 -1.21 -0.81 0.00 0.00 175.30 173.71 1stu s GLU 23 N -2.99 0.76 0.98 5.12 2.02 -1.26 -2.74 118.70 120.58 1stu s GLU 23 Ca -0.02 0.78 -0.15 0.00 0.02 0.00 0.00 54.97 55.60 1stu s GLU 23 Cb 0.01 0.37 -0.06 0.00 0.10 0.00 0.00 34.13 34.55 1stu s GLU 23 CO -0.06 -0.11 -0.22 -1.91 0.02 0.00 0.00 175.26 172.98 1stu n GLU 24 N 2.53 -0.14 0.00 1.61 4.07 -1.20 -4.95 120.64 122.56 1stu n GLU 24 Ca -0.14 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 1stu n GLU 24 Cb 0.56 -1.42 0.00 0.00 -0.06 0.00 0.00 31.44 30.52 1stu n GLU 24 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1stu n GLY 25 N 2.52 -2.28 0.00 8.31 0.00 -1.26 -4.89 105.19 107.59 1stu n GLY 25 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.43 1.61 -0.04 -1.26 -4.80 135.00 127.09 1stu n PRO 26 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 1stu n PRO 26 Cb 0.00 -0.86 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 1stu n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1stu s ALA 27 N -2.27 0.23 -0.39 0.55 0.00 -1.26 -5.04 121.76 113.58 1stu s ALA 27 Ca 0.00 -1.27 0.07 0.00 0.00 0.00 0.00 51.96 50.76 1stu s ALA 27 Cb 0.00 -1.76 0.18 0.00 0.00 0.00 0.00 23.12 21.53 1stu s ALA 27 CO 0.00 -2.02 0.58 -1.01 0.00 0.00 0.00 175.76 173.30 1stu s HIS 28 N 1.48 -1.48 -0.48 0.00 3.76 -1.26 -5.00 115.29 112.30 1stu s HIS 28 Ca 0.16 0.15 -0.23 0.00 -0.15 0.00 0.00 55.06 54.99 1stu s HIS 28 Cb -0.18 0.18 0.03 0.00 1.11 0.00 0.00 32.58 33.72 1stu s HIS 28 CO -0.09 -1.13 0.63 -1.33 -0.85 0.00 0.00 174.74 171.98 1stu n MET 29 N 4.51 -2.08 -1.51 1.40 2.81 -1.26 -4.54 117.12 116.45 1stu n MET 29 Ca 0.10 1.72 -0.13 0.00 -1.81 0.00 0.00 57.70 57.58 1stu n MET 29 Cb 0.54 -4.03 -0.10 0.00 -0.71 0.00 0.00 33.22 28.93 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 -0.49 0.29 -3.58 0.03 5.02 -1.26 -4.73 118.16 113.45 1stu n LYS 30 Ca 0.00 -0.91 -0.41 0.00 -2.02 0.00 0.00 58.31 54.97 1stu n LYS 30 Cb 0.57 -3.16 -0.10 0.00 -0.02 0.00 0.00 35.03 32.31 1stu n LYS 30 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1stu s ASN 31 N 7.74 5.76 -0.08 4.39 -0.87 -1.26 0.12 114.94 130.72 1stu s ASN 31 Ca 0.87 -1.16 -0.22 0.00 -1.57 0.00 0.00 52.86 50.79 1stu s ASN 31 Cb -0.20 -2.03 -0.04 0.00 -0.02 0.00 0.00 41.25 38.96 1stu s ASN 31 CO 0.18 -0.45 0.64 -0.36 -2.57 0.00 0.00 177.10 174.53 1stu s PHE 32 N 1.53 3.55 -0.76 2.20 0.40 -0.25 -3.24 117.98 121.42 1stu s PHE 32 Ca 0.02 1.14 -0.21 0.00 -0.60 0.00 0.00 56.93 57.29 1stu s PHE 32 Cb -0.21 -2.74 0.10 0.00 0.51 0.00 0.00 43.02 40.68 1stu s PHE 32 CO 0.06 0.10 1.00 0.42 0.70 0.00 0.00 175.22 177.49 1stu s ILE 33 N 0.80 4.54 -0.10 0.64 1.09 -1.11 -0.89 121.20 126.17 1stu s ILE 33 Ca 0.34 -0.91 -0.24 0.00 -1.10 0.00 0.00 60.65 58.74 1stu s ILE 33 Cb -0.17 -4.70 -0.03 0.00 -1.06 0.00 0.00 42.46 36.50 1stu s ILE 33 CO 0.16 -1.44 0.75 -0.89 -0.10 0.00 0.00 174.94 173.42 1stu s THR 34 N 3.36 4.98 -0.25 2.92 2.01 0.20 -3.10 115.64 125.76 1stu s THR 34 Ca 0.25 1.52 -0.20 0.00 0.31 0.00 0.00 61.69 63.57 1stu s THR 34 Cb -0.13 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 1stu s THR 34 CO 0.02 0.16 0.61 0.00 -0.69 0.00 0.00 174.62 174.72 1stu s ALA 35 N 1.32 3.61 -0.21 7.40 0.00 -0.26 -0.23 121.76 133.39 1stu s ALA 35 Ca 0.38 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1stu s ALA 35 Cb -0.17 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 19.96 1stu s ALA 35 CO 0.16 -0.78 -0.14 0.00 0.00 0.00 0.00 175.76 175.00 1stu s ILE 37 N 1.30 4.30 -0.25 0.00 -1.16 -0.40 -0.18 121.20 124.80 1stu s ILE 37 Ca 0.02 1.78 0.01 0.00 -0.51 0.00 0.00 60.65 61.96 1stu s ILE 37 Cb -0.15 -4.14 0.07 0.00 0.61 0.00 0.00 42.46 38.85 1stu s ILE 37 CO -0.09 0.21 -0.04 -0.69 -2.81 0.00 0.00 174.94 171.53 1stu s VAL 38 N 0.47 1.62 0.00 4.00 1.01 -0.09 -2.03 120.40 125.38 1stu s VAL 38 Ca 0.52 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1stu s VAL 38 Cb -0.26 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1stu s VAL 38 CO 0.31 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1stu n GLY 39 N 4.62 0.00 0.08 4.51 0.00 -1.16 -0.88 105.19 112.36 1stu n GLY 39 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.17 -0.14 1.61 7.64 -1.26 -4.70 113.62 116.60 1stu n SER 40 Ca 0.00 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1stu n SER 40 Cb 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 -4.29 0.00 -2.70 0.44 -6.64 -0.06 -5.16 119.36 100.95 1stu n ILE 41 Ca 0.02 0.00 -0.25 0.00 -1.77 0.00 0.00 62.75 60.75 1stu n ILE 41 Cb 0.07 0.00 0.02 0.00 -1.44 0.00 0.00 39.64 38.29 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 -2.67 3.99 -0.38 7.28 1.01 -1.26 -0.91 120.40 127.47 1stu s VAL 42 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1stu s VAL 42 Cb 0.00 -3.52 0.16 0.00 0.00 0.00 0.00 36.38 33.02 1stu s VAL 42 CO 0.00 -0.46 0.43 -0.89 0.00 0.00 0.00 175.10 174.18 1stu s THR 43 N -2.76 -0.47 0.00 3.92 2.01 0.75 -4.70 115.64 114.39 1stu s THR 43 Ca 0.50 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1stu s THR 43 Cb -0.10 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 71.86 1stu s THR 43 CO 0.42 -0.46 0.00 -1.84 -0.69 0.00 0.00 174.62 172.04 1stu n GLU 44 N 4.30 0.34 -3.58 4.92 0.28 -1.26 -1.50 120.64 124.13 1stu n GLU 44 Ca 0.11 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.05 1stu n GLU 44 Cb 0.48 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.31 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 -2.66 -0.26 -0.47 -1.84 0.00 0.68 -4.70 107.32 98.07 1stu s GLY 45 Ca 0.00 1.80 -0.05 0.00 0.00 0.00 0.00 44.72 46.47 1stu s GLY 45 CO 0.00 0.71 0.30 -1.83 0.00 0.00 0.00 173.10 172.28 1stu s GLU 46 N -2.00 2.27 -0.18 2.90 -1.05 -1.26 0.62 118.70 120.00 1stu s GLU 46 Ca 0.06 -1.94 -0.08 0.00 -0.15 0.00 0.00 54.97 52.86 1stu s GLU 46 Cb -0.01 -3.73 -0.04 0.00 -0.44 0.00 0.00 34.13 29.90 1stu s GLU 46 CO -0.04 -1.13 0.10 0.20 0.95 0.00 0.00 175.26 175.34 1stu s GLY 47 N 1.91 2.01 -0.85 -3.83 0.00 -0.07 -4.76 107.32 101.72 1stu s GLY 47 Ca 0.09 -0.70 -0.17 0.00 0.00 0.00 0.00 44.72 43.94 1stu s GLY 47 CO -0.03 0.01 2.18 -2.01 0.00 0.00 0.00 173.10 173.25 1stu n ASN 48 N 3.24 0.02 -2.15 1.64 5.15 -1.26 -1.09 115.26 120.82 1stu n ASN 48 Ca -0.17 -1.12 -0.20 0.00 -0.60 0.00 0.00 54.58 52.50 1stu n ASN 48 Cb 0.53 -1.08 0.01 0.00 -0.53 0.00 0.00 39.78 38.71 1stu n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1stu n GLY 49 N 6.02 -2.11 0.00 8.20 0.00 0.31 -4.10 105.19 113.51 1stu n GLY 49 Ca 0.53 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 1.08 0.00 -1.06 1.61 3.00 -1.26 -4.59 118.16 116.94 1stu n LYS 50 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.31 1stu n LYS 50 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.30 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 0.00 -0.09 0.00 1.64 3.00 -1.26 -4.85 118.16 116.60 1stu n LYS 51 Ca 0.00 0.53 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1stu n LYS 51 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 35.03 30.94 1stu n LYS 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1stu n VAL 52 N -2.99 0.00 0.00 3.15 0.31 -1.26 -4.86 118.33 112.68 1stu n VAL 52 Ca -0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1stu n VAL 52 Cb 0.05 0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 1stu n VAL 52 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1stu n SER 53 N -0.41 0.00 -0.22 4.52 7.64 -1.26 -0.77 113.62 123.13 1stu n SER 53 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1stu n SER 53 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1stu n SER 53 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1stu n LYS 54 N 0.00 -0.23 -0.16 1.43 2.85 -1.26 0.93 118.16 121.72 1stu n LYS 54 Ca 0.00 0.87 -0.03 0.00 -1.05 0.00 0.00 58.31 58.10 1stu n LYS 54 Cb 0.00 -1.29 0.03 0.00 -0.65 0.00 0.00 35.03 33.12 1stu n LYS 54 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1stu h LYS 55 N 0.00 -0.05 0.37 -1.58 1.57 -1.90 -1.38 116.57 113.61 1stu h LYS 55 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1stu h LYS 55 Cb 0.21 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1stu h LYS 55 CO -0.49 -0.03 -0.40 -0.09 -0.57 0.00 0.00 179.45 177.87 1stu h ARG 56 N -0.05 -0.77 -0.84 3.15 9.65 0.27 -1.52 114.38 124.27 1stu h ARG 56 Ca 0.24 0.05 0.20 0.00 -1.10 0.00 0.00 59.98 59.37 1stu h ARG 56 Cb 0.41 0.18 -0.15 0.00 -1.39 0.00 0.00 29.97 29.02 1stu h ARG 56 CO -0.54 -0.51 0.03 0.00 2.80 0.00 0.00 179.97 181.74 1stu h ALA 57 N -0.41 0.92 0.24 2.80 0.00 -0.44 0.15 119.26 122.51 1stu h ALA 57 Ca -0.03 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1stu h ALA 57 Cb 0.72 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1stu h ALA 57 CO -0.08 -0.46 -0.27 0.00 0.00 0.00 0.00 179.25 178.44 1stu h ALA 58 N 1.79 -0.94 -0.44 0.00 0.00 -0.40 0.38 119.26 119.66 1stu h ALA 58 Ca 0.48 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.42 1stu h ALA 58 Cb 0.89 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1stu h ALA 58 CO -0.74 -0.96 0.65 0.93 0.00 0.00 0.00 179.25 179.12 1stu h GLU 59 N -0.52 0.00 0.32 0.00 5.08 -0.23 0.21 114.58 119.44 1stu h GLU 59 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1stu h GLU 59 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1stu h GLU 59 CO -0.05 0.00 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.58 1stu h LYS 60 N 0.00 -0.41 0.02 2.33 1.63 0.24 -0.51 116.57 119.87 1stu h LYS 60 Ca 0.21 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1stu h LYS 60 Cb 1.49 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.22 1stu h LYS 60 CO -0.00 -0.14 -0.01 0.00 -3.45 0.00 0.00 179.45 175.85 1stu h MET 61 N -0.64 -0.02 -0.74 1.90 -0.00 0.29 0.39 114.93 116.11 1stu h MET 61 Ca -0.04 0.00 0.17 0.00 -0.00 0.00 0.00 59.70 59.82 1stu h MET 61 Cb 0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 31.60 31.93 1stu h MET 61 CO 0.07 0.75 0.00 -0.07 -0.00 0.00 0.00 176.91 177.67 1stu h LEU 62 N -0.91 -0.34 -0.79 -0.10 3.38 -1.18 1.38 115.31 116.75 1stu h LEU 62 Ca -0.00 0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1stu h LEU 62 Cb 0.78 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1stu h LEU 62 CO 0.00 -0.17 0.06 0.58 0.09 0.00 0.00 178.44 179.00 1stu h VAL 63 N 0.10 1.25 0.02 1.22 2.07 -1.14 -1.75 116.25 118.03 1stu h VAL 63 Ca 0.40 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1stu h VAL 63 Cb 0.70 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1stu h VAL 63 CO -0.65 0.38 -0.06 -0.33 0.02 0.00 0.00 177.57 176.92 1stu h GLU 64 N 0.91 -0.09 -0.82 1.57 4.39 0.40 -1.59 114.58 119.36 1stu h GLU 64 Ca 0.18 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.07 1stu h GLU 64 Cb 0.45 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 29.00 1stu h GLU 64 CO 0.02 -0.06 0.28 1.37 -1.16 0.00 0.00 179.01 179.45 1stu h LEU 65 N -0.09 0.15 -0.22 1.33 -0.00 -0.93 -1.99 115.31 113.55 1stu h LEU 65 Ca -0.00 0.15 0.03 0.00 -0.00 0.00 0.00 57.88 58.06 1stu h LEU 65 Cb 0.09 0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 40.88 1stu h LEU 65 CO -0.03 -0.02 -0.28 1.56 -0.00 0.00 0.00 178.44 179.66 1stu h GLN 66 N 0.33 -0.18 -0.62 0.17 1.08 -0.40 -0.84 115.11 114.64 1stu h GLN 66 Ca 0.49 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.82 1stu h GLN 66 Cb 0.88 0.04 -0.12 0.00 -0.05 0.00 0.00 27.48 28.23 1stu h GLN 66 CO -0.53 -0.12 -0.27 0.87 -0.95 0.00 0.00 178.83 177.83 1stu h LYS 67 N -0.19 -0.10 -0.01 1.46 6.56 -0.59 -3.51 116.57 120.20 1stu h LYS 67 Ca 0.04 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1stu h LYS 67 Cb 0.29 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1stu h LYS 67 CO -0.31 -0.07 0.00 1.28 -2.06 0.00 0.00 179.45 178.30