#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 0.14 -0.58 0.52 1.08 -1.90 -1.87 117.51 114.90 1stu h ILE 2 Ca 0.00 -0.63 0.10 0.00 -0.39 0.00 0.00 64.86 63.94 1stu h ILE 2 Cb 0.00 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 33.94 1stu h ILE 2 CO 0.00 0.03 0.39 0.77 -0.69 0.00 0.00 178.15 178.66 1stu h SER 3 N -1.11 0.33 0.17 1.72 4.64 -2.01 -0.84 113.55 116.46 1stu h SER 3 Ca -0.06 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1stu h SER 3 Cb 0.47 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1stu h SER 3 CO 0.09 0.20 -0.08 1.56 -0.87 0.00 0.00 176.83 177.73 1stu h GLN 4 N 0.37 -0.22 0.21 4.77 4.20 -1.98 -0.09 115.11 122.36 1stu h GLN 4 Ca 0.27 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1stu h GLN 4 Cb 0.58 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1stu h GLN 4 CO -0.07 0.01 -0.19 0.28 -0.67 0.00 0.00 178.83 178.19 1stu h VAL 5 N -0.44 0.00 -1.17 -0.54 2.07 -0.41 -0.22 116.25 115.54 1stu h VAL 5 Ca -0.02 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.94 1stu h VAL 5 Cb 0.34 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.95 1stu h VAL 5 CO 0.04 0.00 0.70 1.41 0.02 0.00 0.00 177.57 179.74 1stu n HIS 6 N -3.49 0.93 0.38 1.57 8.25 -0.43 -0.06 115.22 122.37 1stu n HIS 6 Ca -0.05 0.94 -0.15 0.00 -0.26 0.00 0.00 57.72 58.21 1stu n HIS 6 Cb 0.18 -1.36 -0.07 0.00 1.12 0.00 0.00 29.99 29.86 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 -0.93 0.01 -0.41 4.39 0.74 -1.65 114.58 116.72 1stu h GLU 7 Ca 0.85 0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.62 1stu h GLU 7 Cb 2.51 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 31.37 1stu h GLU 7 CO -0.62 -0.62 -0.00 -0.84 -1.16 0.00 0.00 179.01 175.77 1stu h ILE 8 N -0.99 1.37 -0.53 3.13 -0.00 0.13 -1.14 117.51 119.47 1stu h ILE 8 Ca -0.10 -1.12 0.10 0.00 -0.00 0.00 0.00 64.86 63.74 1stu h ILE 8 Cb 0.74 2.13 -0.11 0.00 -0.00 0.00 0.00 36.82 39.58 1stu h ILE 8 CO 0.16 0.29 -0.24 1.23 -0.00 0.00 0.00 178.15 179.59 1stu h GLY 9 N -0.49 0.11 0.81 0.16 0.00 -0.57 0.55 103.07 103.64 1stu h GLY 9 Ca -0.00 0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.58 1stu h GLY 9 CO 0.00 -0.22 -0.13 -2.22 0.00 0.00 0.00 176.54 173.97 1stu h ILE 10 N -0.12 1.32 0.00 2.60 1.08 -1.31 2.34 117.51 123.42 1stu h ILE 10 Ca 0.24 -1.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 1stu h ILE 10 Cb 0.50 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 1stu h ILE 10 CO -0.60 0.37 0.00 0.29 -0.69 0.00 0.00 178.15 177.52 1stu n LYS 11 N -4.52 0.01 -0.00 2.37 4.76 -0.43 -1.72 118.16 118.62 1stu n LYS 11 Ca -0.05 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1stu n LYS 11 Cb 0.35 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1stu n LYS 11 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1stu n ARG 12 N -1.55 2.18 0.00 1.97 5.12 0.18 -4.97 116.66 119.60 1stu n ARG 12 Ca 0.01 -1.23 0.00 0.00 -1.93 0.00 0.00 57.85 54.70 1stu n ARG 12 Cb 0.08 -0.86 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 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 -0.37 0.00 -4.55 0.55 4.05 0.75 -4.94 115.26 110.75 1stu n ASN 13 Ca 0.00 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 54.66 1stu n ASN 13 Cb 0.32 -0.02 -0.04 0.00 1.23 0.00 0.00 39.78 41.27 1stu n ASN 13 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 1stu s MET 14 N 0.00 2.97 0.92 1.20 -1.94 0.75 -4.35 119.30 118.86 1stu s MET 14 Ca 0.00 -0.23 -0.15 0.00 -1.71 0.00 0.00 55.69 53.60 1stu s MET 14 Cb 0.00 -4.73 -0.05 0.00 2.01 0.00 0.00 34.83 32.06 1stu s MET 14 CO 0.00 -2.63 -0.03 0.25 -0.01 0.00 0.00 175.02 172.60 1stu n THR 15 N 7.10 0.21 -3.67 2.05 -2.24 -1.26 -3.38 114.28 113.09 1stu n THR 15 Ca 0.24 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 1stu n THR 15 Cb 0.50 -0.39 -0.14 0.00 -2.10 0.00 0.00 70.33 68.20 1stu n THR 15 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1stu s VAL 16 N -2.18 0.88 -0.51 2.28 1.01 -1.07 -3.19 120.40 117.62 1stu s VAL 16 Ca 0.52 -1.83 -0.04 0.00 0.00 0.00 0.00 61.98 60.63 1stu s VAL 16 Cb -0.23 -1.64 0.13 0.00 0.00 0.00 0.00 36.38 34.64 1stu s VAL 16 CO 0.72 -0.81 0.32 -1.00 0.00 0.00 0.00 175.10 174.33 1stu s HIS 17 N 1.10 3.51 -0.24 5.22 3.76 -0.83 -4.80 115.29 123.01 1stu s HIS 17 Ca 0.14 -2.46 -0.26 0.00 -0.15 0.00 0.00 55.06 52.33 1stu s HIS 17 Cb -0.21 -3.26 -0.00 0.00 1.11 0.00 0.00 32.58 30.22 1stu s HIS 17 CO -0.12 -0.93 0.89 -0.06 -0.85 0.00 0.00 174.74 173.67 1stu s PHE 18 N 0.69 3.32 -0.22 1.40 0.08 -1.26 -1.32 117.98 120.67 1stu s PHE 18 Ca 0.11 1.23 -0.04 0.00 0.12 0.00 0.00 56.93 58.36 1stu s PHE 18 Cb -0.22 -3.11 0.11 0.00 -0.57 0.00 0.00 43.02 39.23 1stu s PHE 18 CO -0.04 -0.42 0.38 0.15 -0.10 0.00 0.00 175.22 175.19 1stu s LYS 19 N 2.94 0.32 -0.24 0.44 1.02 0.01 -4.99 119.74 119.25 1stu s LYS 19 Ca 0.38 0.70 -0.29 0.00 0.02 0.00 0.00 55.97 56.78 1stu s LYS 19 Cb -0.15 -0.21 0.01 0.00 -0.52 0.00 0.00 37.83 36.96 1stu s LYS 19 CO 0.07 -0.50 1.12 0.08 -0.92 0.00 0.00 175.35 175.20 1stu s VAL 20 N 2.56 4.51 -0.18 3.17 1.01 -1.26 -0.97 120.40 129.24 1stu s VAL 20 Ca 0.07 1.80 0.03 0.00 0.00 0.00 0.00 61.98 63.88 1stu s VAL 20 Cb -0.14 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1stu s VAL 20 CO -0.14 -0.26 0.19 0.00 0.00 0.00 0.00 175.10 174.89 1stu n LEU 21 N 6.60 0.30 -4.37 3.92 -0.00 -1.18 -4.93 117.00 117.34 1stu n LEU 21 Ca 0.13 -0.57 -0.20 0.00 -0.00 0.00 0.00 56.01 55.36 1stu n LEU 21 Cb 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.78 1stu n LEU 21 CO 0.55 0.07 -0.46 -0.60 -0.00 0.00 0.00 177.39 176.95 1stu s ARG 22 N -1.13 1.38 0.08 1.47 3.52 -1.20 -5.00 118.95 118.06 1stu s ARG 22 Ca 0.01 -1.58 -0.19 0.00 -0.13 0.00 0.00 55.73 53.85 1stu s ARG 22 Cb 0.02 -1.31 0.04 0.00 -1.56 0.00 0.00 34.95 32.15 1stu s ARG 22 CO 0.11 0.24 0.45 -1.21 -0.81 0.00 0.00 175.30 174.08 1stu s GLU 23 N -3.39 1.02 0.00 5.12 2.02 -1.26 -3.03 118.70 119.17 1stu s GLU 23 Ca 0.22 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.78 1stu s GLU 23 Cb -0.03 0.46 0.00 0.00 0.10 0.00 0.00 34.13 34.66 1stu s GLU 23 CO 0.08 -0.38 0.00 -1.91 0.02 0.00 0.00 175.26 173.07 1stu n GLU 24 N 0.21 2.41 0.00 1.61 0.00 -1.02 -4.96 120.64 118.89 1stu n GLU 24 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1stu n GLU 24 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.05 1stu n GLU 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1stu n GLY 25 N 0.00 -2.63 0.00 8.31 0.00 -1.26 -4.76 105.19 104.85 1stu n GLY 25 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 1.61 -0.02 -1.26 -4.90 135.00 130.43 1stu n PRO 26 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1stu n PRO 26 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 -1.55 1.78 0.00 3.55 0.00 -1.26 -5.07 120.51 117.96 1stu n ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1stu n ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.30 -0.20 -2.06 0.00 1.44 -1.26 -4.25 115.22 106.59 1stu n HIS 28 Ca 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.68 1stu n HIS 28 Cb 0.00 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.21 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 1.80 0.00 -1.40 2.81 -1.26 -4.88 117.12 114.19 1stu n MET 29 Ca 0.00 -3.29 0.00 0.00 -1.81 0.00 0.00 57.70 52.60 1stu n MET 29 Cb 0.00 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 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 -0.61 0.00 -4.52 0.03 5.02 -1.26 -3.64 118.16 113.18 1stu n LYS 30 Ca 0.21 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.22 1stu n LYS 30 Cb 0.87 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.79 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 -1.78 4.04 -0.16 4.39 0.01 -1.26 0.56 114.94 120.74 1stu s ASN 31 Ca 0.00 -1.35 -0.10 0.00 -0.71 0.00 0.00 52.86 50.70 1stu s ASN 31 Cb 0.00 -0.28 0.05 0.00 0.41 0.00 0.00 41.25 41.43 1stu s ASN 31 CO 0.00 -0.53 0.39 -0.36 -1.51 0.00 0.00 177.10 175.09 1stu s PHE 32 N -2.71 -0.53 -0.65 2.20 0.40 -0.20 -2.43 117.98 114.06 1stu s PHE 32 Ca 0.32 1.18 -0.21 0.00 -0.60 0.00 0.00 56.93 57.62 1stu s PHE 32 Cb 0.07 0.21 0.08 0.00 0.51 0.00 0.00 43.02 43.90 1stu s PHE 32 CO 0.17 -0.30 0.90 0.42 0.70 0.00 0.00 175.22 177.11 1stu s ILE 33 N 1.08 4.48 -0.30 0.64 1.09 -1.17 -0.76 121.20 126.27 1stu s ILE 33 Ca -0.07 -0.59 -0.23 0.00 -1.10 0.00 0.00 60.65 58.66 1stu s ILE 33 Cb -0.07 -4.64 -0.00 0.00 -1.06 0.00 0.00 42.46 36.69 1stu s ILE 33 CO -0.09 -1.37 0.77 -0.89 -0.10 0.00 0.00 174.94 173.26 1stu s THR 34 N 3.62 4.82 -0.30 2.92 2.01 -0.14 -3.12 115.64 125.46 1stu s THR 34 Ca 0.20 1.19 -0.28 0.00 0.31 0.00 0.00 61.69 63.10 1stu s THR 34 Cb -0.18 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1stu s THR 34 CO 0.08 -0.20 1.03 0.00 -0.69 0.00 0.00 174.62 174.83 1stu s ALA 35 N 2.88 3.53 -0.24 7.40 0.00 -0.14 0.36 121.76 135.55 1stu s ALA 35 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1stu s ALA 35 Cb -0.14 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 19.41 1stu s ALA 35 CO 0.12 -1.38 -0.10 0.00 0.00 0.00 0.00 175.76 174.40 1stu s ILE 37 N 1.25 4.25 -0.06 0.00 -1.16 -0.43 -0.47 121.20 124.57 1stu s ILE 37 Ca -0.02 1.75 0.04 0.00 -0.51 0.00 0.00 60.65 61.92 1stu s ILE 37 Cb -0.17 -4.12 -0.00 0.00 0.61 0.00 0.00 42.46 38.78 1stu s ILE 37 CO -0.06 0.21 -0.19 -0.69 -2.81 0.00 0.00 174.94 171.40 1stu s VAL 38 N 0.43 1.60 0.00 4.00 1.01 0.09 -1.97 120.40 125.57 1stu s VAL 38 Ca 0.52 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1stu s VAL 38 Cb -0.26 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1stu s VAL 38 CO 0.31 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.48 1stu n GLY 39 N 3.29 0.00 0.32 4.51 0.00 -1.20 0.26 105.19 112.37 1stu n GLY 39 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.14 -0.79 0.00 1.61 3.41 -1.26 -4.80 113.62 111.65 1stu n SER 40 Ca 0.00 1.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.95 1stu n SER 40 Cb 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1stu n SER 40 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1stu n ILE 41 N -4.95 0.00 -2.86 -1.33 -6.64 0.14 -5.15 119.36 98.57 1stu n ILE 41 Ca 0.02 0.00 -0.28 0.00 -1.77 0.00 0.00 62.75 60.72 1stu n ILE 41 Cb 0.20 0.00 -0.01 0.00 -1.44 0.00 0.00 39.64 38.39 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 -2.76 4.91 -0.35 7.28 1.01 -1.26 -0.74 120.40 128.50 1stu s VAL 42 Ca 0.00 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1stu s VAL 42 Cb 0.00 -3.81 0.16 0.00 0.00 0.00 0.00 36.38 32.73 1stu s VAL 42 CO 0.00 -0.67 0.42 -0.89 0.00 0.00 0.00 175.10 173.96 1stu s THR 43 N -2.52 -0.53 0.00 3.92 2.01 0.38 -4.78 115.64 114.13 1stu s THR 43 Ca 0.47 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1stu s THR 43 Cb -0.10 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.71 1stu s THR 43 CO 0.39 -0.40 0.00 -1.84 -0.69 0.00 0.00 174.62 172.07 1stu n GLU 44 N 4.68 -0.03 -3.35 4.92 0.00 -1.26 -1.46 120.64 124.15 1stu n GLU 44 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.25 1stu n GLU 44 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.88 1stu n GLU 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1stu s GLY 45 N -2.95 -0.18 -0.97 -1.84 0.00 0.16 -4.72 107.32 96.82 1stu s GLY 45 Ca 0.00 3.05 -0.24 0.00 0.00 0.00 0.00 44.72 47.53 1stu s GLY 45 CO 0.00 3.31 1.54 -1.83 0.00 0.00 0.00 173.10 176.12 1stu s GLU 46 N 2.47 3.34 0.48 2.90 1.03 -1.25 -0.97 118.70 126.70 1stu s GLU 46 Ca -0.02 -0.85 -0.14 0.00 0.03 0.00 0.00 54.97 53.99 1stu s GLU 46 Cb -0.06 -5.19 -0.07 0.00 -0.80 0.00 0.00 34.13 28.01 1stu s GLU 46 CO -0.17 -2.44 0.91 0.20 -1.33 0.00 0.00 175.26 172.43 1stu s GLY 47 N 5.54 2.00 -0.57 -3.83 0.00 0.06 -4.73 107.32 105.79 1stu s GLY 47 Ca 0.50 0.03 -0.19 0.00 0.00 0.00 0.00 44.72 45.06 1stu s GLY 47 CO -0.06 0.27 0.71 0.21 0.00 0.00 0.00 173.10 174.24 1stu s ASN 48 N -3.17 6.20 0.00 1.64 2.47 -1.26 -1.03 114.94 119.79 1stu s ASN 48 Ca 0.56 -1.22 0.00 0.00 0.42 0.00 0.00 52.86 52.62 1stu s ASN 48 Cb -0.10 -2.31 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 1stu s ASN 48 CO 0.33 -1.08 0.00 0.61 -3.72 0.00 0.00 177.10 173.23 1stu n GLY 49 N 5.25 3.10 0.07 1.21 0.00 0.19 -4.73 105.19 110.28 1stu n GLY 49 Ca -0.08 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 1stu n GLY 49 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1stu h LYS 50 N 0.00 0.00 0.16 1.61 3.64 -1.82 -3.28 116.57 116.88 1stu h LYS 50 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 1stu h LYS 50 Cb 0.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1stu h LYS 50 CO 0.00 0.79 -1.43 0.87 -2.27 0.00 0.00 179.45 177.41 1stu h LYS 51 N -1.00 0.34 -0.97 1.90 1.57 -1.98 -3.28 116.57 113.15 1stu h LYS 51 Ca -0.05 -0.58 0.19 0.00 -1.87 0.00 0.00 60.65 58.35 1stu h LYS 51 Cb 0.85 0.21 -0.09 0.00 0.08 0.00 0.00 32.23 33.28 1stu h LYS 51 CO -0.03 1.25 0.61 -0.24 -0.57 0.00 0.00 179.45 180.47 1stu h VAL 52 N 0.09 0.71 -0.68 0.50 3.04 -1.85 -2.28 116.25 115.79 1stu h VAL 52 Ca -0.21 -0.22 0.13 0.00 -1.01 0.00 0.00 66.70 65.39 1stu h VAL 52 Cb 2.04 0.02 -0.13 0.00 -2.01 0.00 0.00 31.29 31.22 1stu h VAL 52 CO 0.21 0.12 -0.18 -1.54 -1.01 0.00 0.00 177.57 175.16 1stu n SER 53 N -4.65 -0.27 0.03 3.17 3.41 -1.24 0.15 113.62 114.23 1stu n SER 53 Ca 0.21 1.16 -0.12 0.00 -0.26 0.00 0.00 58.87 59.87 1stu n SER 53 Cb 0.62 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.01 0.06 4.33 1.57 -1.66 -1.22 116.57 119.64 1stu h LYS 54 Ca 0.31 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1stu h LYS 54 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1stu h LYS 54 CO -0.69 0.11 -0.04 0.87 -0.57 0.00 0.00 179.45 179.13 1stu h LYS 55 N -0.13 -0.09 -0.79 3.15 1.57 0.13 -1.62 116.57 118.79 1stu h LYS 55 Ca -0.00 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1stu h LYS 55 Cb 0.13 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.37 1stu h LYS 55 CO 0.00 -0.06 -0.47 0.54 -0.57 0.00 0.00 179.45 178.90 1stu n ARG 56 N -2.41 -0.35 -0.29 3.15 5.12 0.27 0.00 116.66 122.16 1stu n ARG 56 Ca -0.01 1.37 -0.02 0.00 -1.93 0.00 0.00 57.85 57.25 1stu n ARG 56 Cb 0.04 -2.02 0.04 0.00 -1.16 0.00 0.00 32.46 29.36 1stu n ARG 56 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1stu h ALA 57 N 0.22 0.14 0.00 7.54 0.00 -1.17 -0.44 119.26 125.54 1stu h ALA 57 Ca 0.13 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1stu h ALA 57 Cb 0.32 0.85 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1stu h ALA 57 CO -0.74 -0.61 -0.23 0.00 0.00 0.00 0.00 179.25 177.67 1stu h ALA 58 N 1.29 -0.30 -0.84 0.00 0.00 0.60 -0.28 119.26 119.74 1stu h ALA 58 Ca 0.31 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.40 1stu h ALA 58 Cb 0.58 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 18.66 1stu h ALA 58 CO -0.83 -0.73 0.34 0.93 0.00 0.00 0.00 179.25 178.96 1stu h GLU 59 N -0.36 0.41 -0.72 0.00 4.39 0.03 0.86 114.58 119.19 1stu h GLU 59 Ca 0.06 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.82 1stu h GLU 59 Cb 0.44 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.93 1stu h GLU 59 CO -0.20 0.27 0.37 -0.22 -1.16 0.00 0.00 179.01 178.06 1stu h LYS 60 N 0.42 0.62 0.18 2.33 3.64 0.10 0.09 116.57 123.95 1stu h LYS 60 Ca 0.49 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 1stu h LYS 60 Cb 0.86 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1stu h LYS 60 CO -0.48 0.41 -0.09 0.52 -2.27 0.00 0.00 179.45 177.54 1stu h MET 61 N 0.64 -0.24 -0.06 1.90 2.86 0.20 0.53 114.93 120.77 1stu h MET 61 Ca 0.35 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 58.04 1stu h MET 61 Cb 0.34 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 1stu h MET 61 CO -0.25 -0.16 -0.42 -0.07 1.06 0.00 0.00 176.91 177.07 1stu h LEU 62 N -0.30 -1.28 -2.35 1.22 3.38 -1.08 0.60 115.31 115.49 1stu h LEU 62 Ca -0.03 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1stu h LEU 62 Cb 0.19 0.51 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1stu h LEU 62 CO 0.04 -0.44 0.06 0.58 0.09 0.00 0.00 178.44 178.77 1stu h VAL 63 N -0.54 0.56 0.33 1.22 2.07 -1.07 0.51 116.25 119.35 1stu h VAL 63 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1stu h VAL 63 Cb 0.64 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1stu h VAL 63 CO -0.35 0.00 -0.16 -0.33 0.02 0.00 0.00 177.57 176.75 1stu h GLU 64 N 0.00 -0.43 -0.34 1.57 4.39 0.55 -3.31 114.58 117.02 1stu h GLU 64 Ca 0.03 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1stu h GLU 64 Cb 0.14 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1stu h GLU 64 CO -0.00 -0.15 0.00 1.47 -1.16 0.00 0.00 179.01 179.17 1stu n LEU 65 N -5.19 3.18 0.03 1.33 -0.00 -0.59 -4.33 117.00 111.43 1stu n LEU 65 Ca -0.10 -2.23 0.11 0.00 -0.00 0.00 0.00 56.01 53.79 1stu n LEU 65 Cb 0.25 -0.31 -0.04 0.00 -0.00 0.00 0.00 43.42 43.32 1stu n LEU 65 CO 0.33 0.72 -0.19 0.00 -0.00 0.00 0.00 177.39 178.25 1stu n GLN 66 N 0.30 0.44 -0.13 1.47 1.13 0.18 -4.44 117.38 116.33 1stu n GLN 66 Ca 0.14 -0.02 -0.28 0.00 -1.94 0.00 0.00 57.00 54.89 1stu n GLN 66 Cb 0.54 -1.62 -0.10 0.00 0.11 0.00 0.00 30.24 29.16 1stu n GLN 66 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1stu n LYS 67 N -2.18 0.59 0.00 -1.09 5.02 -1.25 -5.02 118.16 114.24 1stu n LYS 67 Ca 0.00 0.28 0.15 0.00 -2.02 0.00 0.00 58.31 56.73 1stu n LYS 67 Cb 0.49 -1.52 0.78 0.00 -0.02 0.00 0.00 35.03 34.76 1stu n LYS 67 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16