#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 0.00 -0.23 0.52 -0.00 -1.26 -4.64 119.36 113.75 1stu n ILE 2 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1stu n ILE 2 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 39.64 39.71 1stu n ILE 2 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1stu h SER 3 N 0.00 -0.66 0.07 4.38 4.64 -2.01 0.31 113.55 120.27 1stu h SER 3 Ca 0.00 0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1stu h SER 3 Cb 0.00 0.43 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1stu h SER 3 CO 0.00 -0.23 -0.11 1.56 -0.87 0.00 0.00 176.83 177.18 1stu h GLN 4 N -0.01 -0.21 0.00 4.77 4.20 -2.00 -1.13 115.11 120.73 1stu h GLN 4 Ca 0.32 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1stu h GLN 4 Cb 0.50 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1stu h GLN 4 CO -0.70 -0.14 0.00 0.28 -0.67 0.00 0.00 178.83 177.60 1stu n VAL 5 N -5.23 0.00 -0.15 -0.54 0.31 0.80 -0.70 118.33 112.82 1stu n VAL 5 Ca -0.07 1.15 0.12 0.00 -0.01 0.00 0.00 64.34 65.53 1stu n VAL 5 Cb 0.15 -1.88 0.22 0.00 -0.91 0.00 0.00 33.84 31.42 1stu n VAL 5 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1stu n HIS 6 N -1.28 0.45 0.30 3.52 8.25 0.52 0.61 115.22 127.60 1stu n HIS 6 Ca 0.00 0.53 -0.12 0.00 -0.26 0.00 0.00 57.72 57.87 1stu n HIS 6 Cb 0.00 -0.94 -0.06 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 -0.74 -0.02 -0.41 4.39 0.41 -1.63 114.58 116.58 1stu h GLU 7 Ca 0.35 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1stu h GLU 7 Cb 0.87 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1stu h GLU 7 CO -0.37 -0.50 -0.03 -0.84 -1.16 0.00 0.00 179.01 176.12 1stu h ILE 8 N -0.78 1.40 -0.43 3.13 -0.00 0.13 0.14 117.51 121.11 1stu h ILE 8 Ca -0.08 -1.24 0.07 0.00 -0.00 0.00 0.00 64.86 63.62 1stu h ILE 8 Cb 0.59 2.19 -0.09 0.00 -0.00 0.00 0.00 36.82 39.51 1stu h ILE 8 CO 0.13 0.33 -0.41 1.23 -0.00 0.00 0.00 178.15 179.43 1stu h GLY 9 N -0.44 -0.49 1.78 0.16 0.00 -0.59 0.89 103.07 104.37 1stu h GLY 9 Ca 0.00 0.53 -0.12 0.00 0.00 0.00 0.00 47.33 47.74 1stu h GLY 9 CO 0.01 -0.18 -0.48 -2.22 0.00 0.00 0.00 176.54 173.67 1stu h ILE 10 N -0.30 1.34 0.00 2.60 1.08 -1.09 2.12 117.51 123.25 1stu h ILE 10 Ca 0.15 -1.68 0.00 0.00 -0.39 0.00 0.00 64.86 62.94 1stu h ILE 10 Cb 0.58 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 36.12 1stu h ILE 10 CO -0.58 0.50 0.00 0.29 -0.69 0.00 0.00 178.15 177.67 1stu n LYS 11 N -3.97 0.45 -0.22 2.37 4.76 0.42 -3.16 118.16 118.81 1stu n LYS 11 Ca -0.02 0.04 0.02 0.00 -2.87 0.00 0.00 58.31 55.48 1stu n LYS 11 Cb 0.53 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.24 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 -1.23 0.60 0.00 1.97 3.00 0.28 -4.96 116.66 116.31 1stu n ARG 12 Ca 0.14 -1.22 0.00 0.00 -0.01 0.00 0.00 57.85 56.76 1stu n ARG 12 Cb 0.18 -0.74 0.00 0.00 0.00 0.00 0.00 32.46 31.89 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 -0.33 0.00 -4.55 0.55 2.85 -0.25 -4.95 115.26 108.58 1stu n ASN 13 Ca 0.03 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.10 1stu n ASN 13 Cb 0.58 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.57 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 -0.01 2.98 1.07 1.20 -1.94 0.70 -4.16 119.30 119.14 1stu s MET 14 Ca 0.00 0.14 -0.17 0.00 -1.71 0.00 0.00 55.69 53.95 1stu s MET 14 Cb 0.00 -4.26 0.13 0.00 2.01 0.00 0.00 34.83 32.71 1stu s MET 14 CO 0.00 -2.36 0.10 2.41 -0.01 0.00 0.00 175.02 175.15 1stu n THR 15 N 6.74 0.00 -3.32 2.05 -1.04 -1.26 -2.74 114.28 114.71 1stu n THR 15 Ca 0.10 -0.14 -0.16 0.00 -2.04 0.00 0.00 64.05 61.82 1stu n THR 15 Cb 0.50 -0.53 -0.07 0.00 -1.82 0.00 0.00 70.33 68.42 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 -2.13 -0.37 -0.51 12.58 1.01 -0.89 -3.66 120.40 126.43 1stu s VAL 16 Ca 0.45 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1stu s VAL 16 Cb -0.07 -0.62 0.13 0.00 0.00 0.00 0.00 36.38 35.82 1stu s VAL 16 CO 0.49 -0.56 0.32 -1.00 0.00 0.00 0.00 175.10 174.36 1stu s HIS 17 N 1.31 3.50 -0.26 5.22 3.76 -0.81 -4.81 115.29 123.20 1stu s HIS 17 Ca 0.19 -2.50 -0.29 0.00 -0.15 0.00 0.00 55.06 52.31 1stu s HIS 17 Cb -0.12 -3.25 0.01 0.00 1.11 0.00 0.00 32.58 30.33 1stu s HIS 17 CO -0.04 -0.92 1.04 -0.06 -0.85 0.00 0.00 174.74 173.92 1stu s PHE 18 N 0.62 3.27 -0.17 1.40 0.08 -1.26 -1.30 117.98 120.62 1stu s PHE 18 Ca 0.12 1.35 -0.07 0.00 0.12 0.00 0.00 56.93 58.45 1stu s PHE 18 Cb -0.22 -3.42 0.07 0.00 -0.57 0.00 0.00 43.02 38.89 1stu s PHE 18 CO -0.04 -0.58 0.37 0.15 -0.10 0.00 0.00 175.22 175.02 1stu s LYS 19 N 3.35 0.29 0.00 0.44 1.02 -0.25 -5.00 119.74 119.60 1stu s LYS 19 Ca 0.44 0.87 -0.30 0.00 0.02 0.00 0.00 55.97 57.01 1stu s LYS 19 Cb -0.14 0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.27 1stu s LYS 19 CO 0.10 -0.23 0.99 0.08 -0.92 0.00 0.00 175.35 175.37 1stu s VAL 20 N 2.16 4.83 -0.20 3.17 1.01 -1.26 -0.49 120.40 129.63 1stu s VAL 20 Ca -0.04 2.04 0.20 0.00 0.00 0.00 0.00 61.98 64.18 1stu s VAL 20 Cb -0.11 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1stu s VAL 20 CO -0.12 0.16 1.01 -0.07 0.00 0.00 0.00 175.10 176.09 1stu h LEU 21 N 6.78 0.00 0.00 3.92 3.38 -1.80 -3.46 115.31 124.13 1stu h LEU 21 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1stu h LEU 21 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1stu h LEU 21 CO 0.75 0.24 0.00 -1.14 0.09 0.00 0.00 178.44 178.38 1stu n ARG 22 N -2.81 0.00 -3.43 1.13 3.00 -1.25 -5.05 116.66 108.24 1stu n ARG 22 Ca -0.03 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.38 1stu n ARG 22 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.09 1stu n ARG 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1stu s GLU 23 N -2.00 3.49 0.30 -0.14 -1.05 -1.26 -2.10 118.70 115.95 1stu s GLU 23 Ca 0.00 -2.68 -0.25 0.00 -0.15 0.00 0.00 54.97 51.89 1stu s GLU 23 Cb 0.00 -4.28 -0.16 0.00 -0.44 0.00 0.00 34.13 29.25 1stu s GLU 23 CO 0.00 -1.26 0.37 0.39 0.95 0.00 0.00 175.26 175.71 1stu n GLU 24 N 3.52 0.11 0.00 -4.83 -0.58 -0.89 -4.71 120.64 113.26 1stu n GLU 24 Ca 0.15 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1stu n GLU 24 Cb 0.43 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 1stu n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1stu n GLY 25 N 2.08 2.22 0.00 0.62 0.00 -1.26 -3.74 105.19 105.12 1stu n GLY 25 Ca 0.14 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 1.90 0.00 -2.86 1.61 -0.04 -1.26 -4.84 135.00 129.51 1stu n PRO 26 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1stu n PRO 26 Cb 0.00 -0.87 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1stu n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1stu n ALA 27 N -0.78 -0.99 -2.85 0.55 0.00 -1.26 -5.02 120.51 110.16 1stu n ALA 27 Ca 0.00 -1.47 -0.11 0.00 0.00 0.00 0.00 53.44 51.86 1stu n ALA 27 Cb 0.00 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.17 1stu n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1stu n HIS 28 N 2.63 -1.89 -2.78 0.00 8.25 -1.26 -4.94 115.22 115.22 1stu n HIS 28 Ca 0.18 -2.59 -0.07 0.00 -0.26 0.00 0.00 57.72 54.98 1stu n HIS 28 Cb 0.56 1.02 -0.01 0.00 1.12 0.00 0.00 29.99 32.68 1stu n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1stu n MET 29 N 0.25 -2.66 0.00 -0.41 0.00 -1.26 -4.87 117.12 108.16 1stu n MET 29 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.89 1stu n MET 29 Cb 0.71 -4.61 0.00 0.00 0.00 0.00 0.00 33.22 29.31 1stu n MET 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1stu n LYS 30 N -2.77 0.85 -3.21 3.17 4.76 -1.26 -3.72 118.16 115.98 1stu n LYS 30 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1stu n LYS 30 Cb 0.51 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.65 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 -2.06 6.58 -0.21 4.39 0.01 -1.25 0.57 114.94 122.98 1stu s ASN 31 Ca 0.00 0.99 -0.00 0.00 -0.71 0.00 0.00 52.86 53.14 1stu s ASN 31 Cb 0.00 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.42 1stu s ASN 31 CO 0.00 -0.21 -0.14 -0.36 -1.51 0.00 0.00 177.10 174.89 1stu s PHE 32 N -2.04 2.92 -0.92 2.20 0.40 0.10 -2.09 117.98 118.54 1stu s PHE 32 Ca 0.49 -1.60 -0.20 0.00 -0.60 0.00 0.00 56.93 55.01 1stu s PHE 32 Cb -0.11 -1.98 0.10 0.00 0.51 0.00 0.00 43.02 41.55 1stu s PHE 32 CO 0.25 -0.76 1.20 0.42 0.70 0.00 0.00 175.22 177.03 1stu s ILE 33 N 1.30 4.44 -0.43 0.64 -1.09 -0.89 -0.39 121.20 124.79 1stu s ILE 33 Ca 0.03 -1.18 -0.23 0.00 -2.23 0.00 0.00 60.65 57.04 1stu s ILE 33 Cb -0.15 -4.85 0.02 0.00 -1.58 0.00 0.00 42.46 35.91 1stu s ILE 33 CO -0.09 -1.63 0.76 -0.89 -1.23 0.00 0.00 174.94 171.86 1stu s THR 34 N 3.53 4.70 -0.38 2.92 2.01 -0.42 -2.17 115.64 125.83 1stu s THR 34 Ca 0.35 0.49 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 1stu s THR 34 Cb -0.05 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.21 1stu s THR 34 CO -0.07 -0.62 1.11 0.00 -0.69 0.00 0.00 174.62 174.35 1stu s ALA 35 N 3.16 3.36 -0.23 7.40 0.00 0.36 0.24 121.76 136.05 1stu s ALA 35 Ca 0.29 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.99 1stu s ALA 35 Cb -0.13 -3.77 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 1stu s ALA 35 CO 0.21 -1.80 -0.02 0.00 0.00 0.00 0.00 175.76 174.15 1stu s ILE 37 N 1.50 4.39 -0.01 0.00 -1.16 -0.42 -0.84 121.20 124.66 1stu s ILE 37 Ca 0.05 1.94 0.04 0.00 -0.51 0.00 0.00 60.65 62.18 1stu s ILE 37 Cb -0.15 -4.24 -0.01 0.00 0.61 0.00 0.00 42.46 38.67 1stu s ILE 37 CO -0.02 0.28 -0.13 0.68 -2.81 0.00 0.00 174.94 172.94 1stu s VAL 38 N 0.14 1.04 0.00 4.00 -7.23 -0.68 -1.92 120.40 115.75 1stu s VAL 38 Ca 0.49 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 60.06 1stu s VAL 38 Cb -0.25 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 35.82 1stu s VAL 38 CO 0.31 0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 1stu n GLY 39 N 2.68 0.34 0.00 2.32 0.00 -1.24 -1.10 105.19 108.19 1stu n GLY 39 Ca -0.14 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 2.66 0.00 -4.55 1.61 7.64 -1.26 -4.13 113.62 115.58 1stu n SER 40 Ca 0.00 -1.00 -0.24 0.00 1.01 0.00 0.00 58.87 58.64 1stu n SER 40 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1stu n SER 40 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1stu s ILE 41 N 0.00 2.83 -0.20 0.44 -1.09 -0.26 -5.10 121.20 117.82 1stu s ILE 41 Ca 0.00 -2.17 -0.16 0.00 -2.23 0.00 0.00 60.65 56.08 1stu s ILE 41 Cb 0.00 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 1stu s ILE 41 CO 0.00 -0.36 0.43 -0.69 -1.23 0.00 0.00 174.94 173.09 1stu s VAL 42 N -2.45 5.18 -0.62 2.92 1.01 -1.26 -1.69 120.40 123.49 1stu s VAL 42 Ca 0.31 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1stu s VAL 42 Cb -0.05 -3.76 0.16 0.00 0.00 0.00 0.00 36.38 32.74 1stu s VAL 42 CO 0.17 0.24 0.42 -0.89 0.00 0.00 0.00 175.10 175.04 1stu s THR 43 N 1.33 3.35 0.28 3.92 2.01 -0.02 -4.93 115.64 121.58 1stu s THR 43 Ca 0.20 -3.26 -0.04 0.00 0.31 0.00 0.00 61.69 58.90 1stu s THR 43 Cb -0.15 -3.21 0.06 0.00 0.01 0.00 0.00 72.50 69.22 1stu s THR 43 CO 0.08 -0.88 0.38 -1.84 -0.69 0.00 0.00 174.62 171.67 1stu n GLU 44 N 3.14 -0.32 -3.43 4.92 0.00 -1.26 -1.67 120.64 122.02 1stu n GLU 44 Ca 0.09 -0.61 0.01 0.00 0.00 0.00 0.00 57.16 56.66 1stu n GLU 44 Cb 0.36 -0.38 -0.03 0.00 0.00 0.00 0.00 31.44 31.39 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 -3.79 -0.79 -1.29 -1.84 0.00 0.14 -4.63 107.32 95.11 1stu s GLY 45 Ca 0.22 2.21 -0.18 0.00 0.00 0.00 0.00 44.72 46.96 1stu s GLY 45 CO 0.15 3.22 1.83 -1.84 0.00 0.00 0.00 173.10 176.45 1stu n GLU 46 N 5.42 2.92 -2.42 2.90 0.00 -1.21 -1.30 120.64 126.94 1stu n GLU 46 Ca -0.08 -3.06 -0.42 0.00 0.00 0.00 0.00 57.16 53.60 1stu n GLU 46 Cb 0.50 -3.49 -0.03 0.00 0.00 0.00 0.00 31.44 28.42 1stu n GLU 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1stu s GLY 47 N 4.41 2.35 -0.86 -1.84 0.00 0.48 -4.39 107.32 107.47 1stu s GLY 47 Ca 0.55 0.81 -0.16 0.00 0.00 0.00 0.00 44.72 45.92 1stu s GLY 47 CO 0.07 2.08 2.18 0.70 0.00 0.00 0.00 173.10 178.13 1stu n ASN 48 N 4.17 -0.06 -1.94 1.64 4.13 -1.26 -0.73 115.26 121.21 1stu n ASN 48 Ca 0.09 -1.08 -0.18 0.00 1.68 0.00 0.00 54.58 55.09 1stu n ASN 48 Cb 0.46 -1.05 0.02 0.00 -1.54 0.00 0.00 39.78 37.67 1stu n ASN 48 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1stu n GLY 49 N 5.99 -2.10 0.14 7.41 0.00 0.19 -4.29 105.19 112.54 1stu n GLY 49 Ca 0.54 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 1.10 0.00 -2.15 1.61 4.81 -1.26 -4.70 118.16 117.57 1stu n LYS 50 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1stu n LYS 50 Cb 0.26 -0.18 0.03 0.00 0.02 0.00 0.00 35.03 35.16 1stu n LYS 50 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1stu n LYS 51 N -0.14 -0.85 0.00 1.64 4.81 -1.26 -4.92 118.16 117.43 1stu n LYS 51 Ca 0.00 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1stu n LYS 51 Cb 0.05 -3.12 0.00 0.00 0.02 0.00 0.00 35.03 31.98 1stu n LYS 51 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1stu n VAL 52 N -2.14 0.00 0.00 3.15 3.14 -1.26 -4.99 118.33 116.22 1stu n VAL 52 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1stu n VAL 52 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 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 -1.42 0.00 -0.29 6.55 7.64 -1.25 -0.72 113.62 124.13 1stu n SER 53 Ca 0.00 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1stu n SER 53 Cb 0.00 -0.18 0.07 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.04 -0.97 1.43 2.10 -1.91 0.37 116.57 117.56 1stu h LYS 54 Ca 0.00 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.78 1stu h LYS 54 Cb 0.00 0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.26 1stu h LYS 54 CO 0.00 -0.02 0.62 -0.22 -2.00 0.00 0.00 179.45 177.82 1stu h LYS 55 N -0.04 0.89 -0.12 0.07 3.64 -1.31 -1.10 116.57 118.62 1stu h LYS 55 Ca 0.36 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.50 1stu h LYS 55 Cb 0.60 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1stu h LYS 55 CO -0.85 0.59 -0.67 -0.09 -2.27 0.00 0.00 179.45 176.16 1stu h ARG 56 N 0.92 0.49 0.25 1.90 9.65 0.13 -0.99 114.38 126.73 1stu h ARG 56 Ca 0.48 -0.37 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1stu h ARG 56 Cb 0.54 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1stu h ARG 56 CO -0.25 0.99 -0.12 0.00 2.80 0.00 0.00 179.97 183.39 1stu h ALA 57 N 0.92 -0.33 0.54 2.80 0.00 0.06 0.32 119.26 123.56 1stu h ALA 57 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1stu h ALA 57 Cb 1.24 0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1stu h ALA 57 CO 0.12 -0.59 -0.26 0.00 0.00 0.00 0.00 179.25 178.52 1stu h ALA 58 N 0.18 -1.08 -0.50 0.00 0.00 -1.33 -1.48 119.26 115.05 1stu h ALA 58 Ca -0.03 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.86 1stu h ALA 58 Cb 0.39 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1stu h ALA 58 CO 0.06 -1.03 0.56 0.93 0.00 0.00 0.00 179.25 179.77 1stu h GLU 59 N -0.79 0.00 0.23 0.00 5.08 -1.25 0.55 114.58 118.40 1stu h GLU 59 Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1stu h GLU 59 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1stu h GLU 59 CO 0.12 0.00 -0.11 0.87 -1.00 0.00 0.00 179.01 178.89 1stu h LYS 60 N 0.00 -0.29 0.05 2.33 1.79 0.52 -0.31 116.57 120.65 1stu h LYS 60 Ca 0.24 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1stu h LYS 60 Cb 1.36 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 1stu h LYS 60 CO -0.00 0.01 -0.02 0.00 -1.08 0.00 0.00 179.45 178.35 1stu h MET 61 N -0.60 -0.06 -0.30 3.15 -0.00 0.02 0.23 114.93 117.37 1stu h MET 61 Ca -0.03 0.00 0.06 0.00 -0.00 0.00 0.00 59.70 59.74 1stu h MET 61 Cb 0.43 0.01 -0.08 0.00 -0.00 0.00 0.00 31.60 31.97 1stu h MET 61 CO 0.05 0.54 -0.38 -0.07 -0.00 0.00 0.00 176.91 177.05 1stu h LEU 62 N -0.75 -1.24 -1.23 -0.10 3.38 -1.24 1.10 115.31 115.23 1stu h LEU 62 Ca -0.01 0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.28 1stu h LEU 62 Cb 0.63 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 41.85 1stu h LEU 62 CO 0.01 -0.37 0.58 0.58 0.09 0.00 0.00 178.44 179.33 1stu h VAL 63 N -0.35 0.87 0.00 1.22 2.07 -1.10 -1.66 116.25 117.30 1stu h VAL 63 Ca 0.13 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1stu h VAL 63 Cb 0.58 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1stu h VAL 63 CO -0.49 0.14 0.00 1.21 0.02 0.00 0.00 177.57 178.45 1stu n GLU 64 N -4.57 0.00 -0.37 1.57 0.00 0.36 -1.47 120.64 116.16 1stu n GLU 64 Ca 0.17 0.51 0.29 0.00 0.00 0.00 0.00 57.16 58.13 1stu n GLU 64 Cb 0.42 -1.36 0.55 0.00 0.00 0.00 0.00 31.44 31.05 1stu n GLU 64 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 1stu h LEU 65 N 0.00 0.39 -0.46 4.31 -0.00 -0.76 0.34 115.31 119.13 1stu h LEU 65 Ca 0.00 0.14 0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1stu h LEU 65 Cb 0.00 0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 40.73 1stu h LEU 65 CO 0.00 -0.10 0.26 1.56 -0.00 0.00 0.00 178.44 180.16 1stu h GLN 66 N 0.25 0.50 -0.46 0.17 1.08 -0.59 -1.98 115.11 114.07 1stu h GLN 66 Ca 0.73 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.84 1stu h GLN 66 Cb 1.98 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 29.27 1stu h GLN 66 CO -0.45 0.33 0.04 0.87 -0.95 0.00 0.00 178.83 178.66 1stu h LYS 67 N 0.51 0.74 0.00 1.46 1.57 0.81 -3.51 116.57 118.14 1stu h LYS 67 Ca 0.19 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1stu h LYS 67 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1stu h LYS 67 CO -0.11 0.72 0.00 1.28 -0.57 0.00 0.00 179.45 180.78