#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 0.11 -0.80 0.52 1.08 -1.87 -1.79 117.51 114.76 1stu h ILE 2 Ca 0.00 -0.47 0.18 0.00 -0.39 0.00 0.00 64.86 64.18 1stu h ILE 2 Cb 0.00 0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 33.86 1stu h ILE 2 CO 0.00 0.02 0.54 -1.28 -0.69 0.00 0.00 178.15 176.74 1stu h SER 3 N -1.15 0.30 -0.01 1.72 0.87 -2.01 0.21 113.55 113.48 1stu h SER 3 Ca -0.07 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1stu h SER 3 Cb 0.59 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1stu h SER 3 CO 0.12 0.14 0.00 1.56 -0.53 0.00 0.00 176.83 178.12 1stu h GLN 4 N 0.31 0.01 0.40 2.24 4.20 -1.97 -0.47 115.11 119.84 1stu h GLN 4 Ca 0.40 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.09 1stu h GLN 4 Cb 1.08 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 1stu h GLN 4 CO -0.11 0.23 -0.26 0.28 -0.67 0.00 0.00 178.83 178.30 1stu h VAL 5 N -0.20 0.00 -1.10 -0.54 2.07 -0.11 -1.13 116.25 115.24 1stu h VAL 5 Ca 0.00 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.96 1stu h VAL 5 Cb 0.22 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.82 1stu h VAL 5 CO -0.00 0.00 0.63 0.45 0.02 0.00 0.00 177.57 178.67 1stu h HIS 6 N -0.62 0.75 0.55 1.57 3.86 -1.19 0.42 115.15 120.49 1stu h HIS 6 Ca -0.05 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1stu h HIS 6 Cb 0.50 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 28.80 1stu h HIS 6 CO -0.01 -0.42 -0.26 0.93 0.86 0.00 0.00 177.93 179.02 1stu h GLU 7 N 0.01 -0.71 -0.00 2.45 4.39 0.09 -1.77 114.58 119.04 1stu h GLU 7 Ca 0.86 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.60 1stu h GLU 7 Cb 2.38 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 31.20 1stu h GLU 7 CO -0.69 -0.48 -0.00 -0.84 -1.16 0.00 0.00 179.01 175.84 1stu h ILE 8 N -0.81 1.31 -0.49 3.13 -0.00 -0.05 -0.49 117.51 120.12 1stu h ILE 8 Ca -0.08 -0.91 0.09 0.00 -0.00 0.00 0.00 64.86 63.96 1stu h ILE 8 Cb 0.57 1.92 -0.10 0.00 -0.00 0.00 0.00 36.82 39.21 1stu h ILE 8 CO 0.12 0.24 -0.33 1.23 -0.00 0.00 0.00 178.15 179.41 1stu h GLY 9 N -0.38 -0.19 1.55 0.16 0.00 -0.34 0.79 103.07 104.67 1stu h GLY 9 Ca 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 47.33 47.62 1stu h GLY 9 CO 0.00 -0.21 -0.44 -2.22 0.00 0.00 0.00 176.54 173.67 1stu h ILE 10 N -0.21 1.31 0.00 2.60 1.08 -1.26 1.94 117.51 122.97 1stu h ILE 10 Ca 0.20 -1.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.04 1stu h ILE 10 Cb 0.54 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 1stu h ILE 10 CO -0.60 0.50 0.00 0.29 -0.69 0.00 0.00 178.15 177.65 1stu n LYS 11 N -4.01 0.39 -0.08 2.37 4.76 0.17 -3.07 118.16 118.69 1stu n LYS 11 Ca -0.02 0.05 0.01 0.00 -2.87 0.00 0.00 58.31 55.48 1stu n LYS 11 Cb 0.53 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1stu n LYS 11 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1stu n ARG 12 N -1.26 1.17 -0.13 1.97 3.00 0.25 -4.96 116.66 116.70 1stu n ARG 12 Ca 0.12 -1.16 0.00 0.00 -0.00 0.00 0.00 57.85 56.81 1stu n ARG 12 Cb 0.19 -0.79 0.00 0.00 0.00 0.00 0.00 32.46 31.85 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 -0.34 0.00 -4.55 6.15 5.15 -0.08 -4.94 115.26 116.64 1stu n ASN 13 Ca 0.02 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.62 1stu n ASN 13 Cb 0.46 -0.05 -0.03 0.00 -0.53 0.00 0.00 39.78 39.63 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 3.07 0.72 1.20 -1.94 0.64 -4.07 119.30 118.91 1stu s MET 14 Ca 0.00 -0.26 -0.16 0.00 -1.71 0.00 0.00 55.69 53.55 1stu s MET 14 Cb 0.00 -4.64 -0.05 0.00 2.01 0.00 0.00 34.83 32.15 1stu s MET 14 CO 0.00 -2.47 0.41 2.41 -0.01 0.00 0.00 175.02 175.36 1stu n THR 15 N 6.90 1.52 -3.81 2.05 -1.04 -1.26 -3.15 114.28 115.50 1stu n THR 15 Ca 0.19 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.05 61.50 1stu n THR 15 Cb 0.50 -0.64 -0.14 0.00 -1.82 0.00 0.00 70.33 68.23 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 -1.93 1.53 -0.52 12.58 1.01 -1.16 -3.13 120.40 128.78 1stu s VAL 16 Ca 0.63 -2.18 0.01 0.00 0.00 0.00 0.00 61.98 60.44 1stu s VAL 16 Cb -0.35 -2.11 0.13 0.00 0.00 0.00 0.00 36.38 34.05 1stu s VAL 16 CO 0.60 -0.75 0.29 -1.00 0.00 0.00 0.00 175.10 174.24 1stu s HIS 17 N 0.85 3.39 -0.14 5.22 3.76 -0.87 -4.84 115.29 122.66 1stu s HIS 17 Ca 0.13 -2.90 -0.29 0.00 -0.15 0.00 0.00 55.06 51.85 1stu s HIS 17 Cb -0.21 -3.02 -0.01 0.00 1.11 0.00 0.00 32.58 30.45 1stu s HIS 17 CO -0.10 -0.83 1.03 -0.06 -0.85 0.00 0.00 174.74 173.93 1stu s PHE 18 N 0.11 3.43 -0.19 1.40 0.08 -1.26 -1.43 117.98 120.12 1stu s PHE 18 Ca 0.15 1.53 -0.05 0.00 0.12 0.00 0.00 56.93 58.68 1stu s PHE 18 Cb -0.23 -3.23 0.09 0.00 -0.57 0.00 0.00 43.02 39.09 1stu s PHE 18 CO -0.03 -0.39 0.36 0.21 -0.10 0.00 0.00 175.22 175.27 1stu s LYS 19 N 2.38 0.27 0.04 0.44 2.20 0.04 -5.00 119.74 120.11 1stu s LYS 19 Ca 0.48 0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 56.59 1stu s LYS 19 Cb -0.18 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.07 1stu s LYS 19 CO 0.15 -0.37 1.04 0.08 -0.36 0.00 0.00 175.35 175.89 1stu s VAL 20 N 2.53 4.53 -0.11 4.02 1.01 -1.26 -0.71 120.40 130.42 1stu s VAL 20 Ca 0.03 1.87 0.16 0.00 0.00 0.00 0.00 61.98 64.03 1stu s VAL 20 Cb -0.13 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 31.92 1stu s VAL 20 CO -0.12 0.17 0.89 -0.07 0.00 0.00 0.00 175.10 175.97 1stu h LEU 21 N 6.54 0.00 0.00 3.92 3.38 -1.85 -3.47 115.31 123.83 1stu h LEU 21 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 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 0.76 0.64 0.00 0.54 0.09 0.00 0.00 178.44 180.47 1stu n ARG 22 N -2.96 -1.00 0.00 1.13 1.74 -1.26 -5.03 116.66 109.28 1stu n ARG 22 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1stu n ARG 22 Cb 0.86 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.30 1stu n ARG 22 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1stu n GLU 23 N 0.00 3.37 0.00 5.56 4.71 -1.26 -2.22 120.64 130.80 1stu n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1stu n GLU 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1stu n GLU 23 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1stu n GLU 24 N 0.00 0.00 0.00 3.49 2.13 -0.72 -4.52 120.64 121.02 1stu n GLU 24 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1stu n GLU 24 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1stu n GLU 24 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1stu n GLY 25 N -0.03 4.94 0.00 8.31 0.00 -1.26 -3.50 105.19 113.65 1stu n GLY 25 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.96 0.00 -0.20 1.61 -0.04 -1.26 -4.80 135.00 128.35 1stu n PRO 26 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1stu n PRO 26 Cb 0.00 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.72 1.40 -2.71 0.55 0.00 -1.26 -4.89 120.51 112.87 1stu n ALA 27 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 53.44 52.98 1stu n ALA 27 Cb 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 -0.40 -2.98 0.00 -0.00 -1.26 -5.00 115.22 105.58 1stu n HIS 28 Ca 0.00 -1.80 -0.12 0.00 -0.00 0.00 0.00 57.72 55.79 1stu n HIS 28 Cb 0.55 0.64 -0.03 0.00 -0.00 0.00 0.00 29.99 31.16 1stu n HIS 28 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1stu n MET 29 N -0.98 0.45 -2.37 -1.40 2.00 -1.26 -5.08 117.12 108.48 1stu n MET 29 Ca -0.06 -2.43 -0.37 0.00 0.00 0.00 0.00 57.70 54.84 1stu n MET 29 Cb 0.85 -1.53 -0.04 0.00 0.00 0.00 0.00 33.22 32.51 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 0.53 3.15 0.21 0.03 1.02 -1.26 -4.13 119.74 119.28 1stu s LYS 30 Ca 0.31 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.74 1stu s LYS 30 Cb 0.03 -4.98 -0.05 0.00 -0.52 0.00 0.00 37.83 32.32 1stu s LYS 30 CO -0.11 -2.57 0.07 -0.80 -0.92 0.00 0.00 175.35 171.02 1stu s ASN 31 N 5.90 0.95 -0.07 2.83 0.02 -1.23 0.12 114.94 123.47 1stu s ASN 31 Ca 0.53 -1.30 -0.05 0.00 -1.02 0.00 0.00 52.86 51.01 1stu s ASN 31 Cb -0.04 0.20 0.02 0.00 0.02 0.00 0.00 41.25 41.44 1stu s ASN 31 CO -0.00 -0.70 0.17 -0.36 0.02 0.00 0.00 177.10 176.23 1stu s PHE 32 N -3.82 -0.19 -0.71 2.20 0.40 -0.32 -1.76 117.98 113.79 1stu s PHE 32 Ca 0.32 0.47 -0.20 0.00 -0.60 0.00 0.00 56.93 56.93 1stu s PHE 32 Cb 0.07 0.04 0.11 0.00 0.51 0.00 0.00 43.02 43.75 1stu s PHE 32 CO 0.09 -0.11 0.90 0.42 0.70 0.00 0.00 175.22 177.22 1stu s ILE 33 N 0.34 4.68 -0.28 0.64 -1.09 -0.94 -0.73 121.20 123.82 1stu s ILE 33 Ca -0.02 -1.02 -0.21 0.00 -2.23 0.00 0.00 60.65 57.17 1stu s ILE 33 Cb -0.03 -4.62 -0.01 0.00 -1.58 0.00 0.00 42.46 36.21 1stu s ILE 33 CO -0.01 -1.32 0.65 -0.89 -1.23 0.00 0.00 174.94 172.13 1stu s THR 34 N 2.98 4.95 -0.17 2.92 2.01 0.16 -2.51 115.64 125.98 1stu s THR 34 Ca 0.20 1.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.96 1stu s THR 34 Cb -0.16 -3.98 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 1stu s THR 34 CO 0.03 -0.06 1.02 0.00 -0.69 0.00 0.00 174.62 174.92 1stu s ALA 35 N 2.59 3.55 -0.21 7.40 0.00 0.12 0.11 121.76 135.32 1stu s ALA 35 Ca 0.27 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1stu s ALA 35 Cb -0.15 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.51 1stu s ALA 35 CO 0.10 -0.84 -0.16 0.00 0.00 0.00 0.00 175.76 174.86 1stu s ILE 37 N 1.23 3.95 -0.00 0.00 -1.16 -0.52 -0.75 121.20 123.95 1stu s ILE 37 Ca -0.01 1.83 0.08 0.00 -0.51 0.00 0.00 60.65 62.04 1stu s ILE 37 Cb -0.16 -4.17 -0.02 0.00 0.61 0.00 0.00 42.46 38.73 1stu s ILE 37 CO -0.10 0.38 -0.24 0.68 -2.81 0.00 0.00 174.94 172.86 1stu s VAL 38 N -0.76 1.92 -0.76 4.00 -7.23 -0.61 -2.05 120.40 114.91 1stu s VAL 38 Ca 0.45 -1.11 -0.18 0.00 -1.81 0.00 0.00 61.98 59.32 1stu s VAL 38 Cb -0.28 -1.61 -0.18 0.00 0.56 0.00 0.00 36.38 34.88 1stu s VAL 38 CO 0.35 0.47 1.95 0.61 -0.31 0.00 0.00 175.10 178.17 1stu n GLY 39 N 2.29 -0.29 0.00 2.32 0.00 -1.19 -1.21 105.19 107.11 1stu n GLY 39 Ca -0.16 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 14.30 0.00 -2.36 1.61 7.64 -1.26 -4.68 113.62 128.86 1stu n SER 40 Ca 0.37 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.24 1stu n SER 40 Cb 0.42 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.00 0.00 -3.38 0.44 -6.64 -0.35 -5.13 119.36 104.30 1stu n ILE 41 Ca 0.00 -0.34 -0.38 0.00 -1.77 0.00 0.00 62.75 60.27 1stu n ILE 41 Cb 0.00 0.46 -0.06 0.00 -1.44 0.00 0.00 39.64 38.60 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 -2.27 5.22 -0.52 7.28 1.01 -1.26 -1.57 120.40 128.29 1stu s VAL 42 Ca 0.14 0.81 0.04 0.00 0.00 0.00 0.00 61.98 62.96 1stu s VAL 42 Cb -0.02 -3.76 0.13 0.00 0.00 0.00 0.00 36.38 32.74 1stu s VAL 42 CO 0.03 0.33 0.26 -0.89 0.00 0.00 0.00 175.10 174.84 1stu s THR 43 N 0.71 2.65 0.12 3.92 2.01 0.07 -4.92 115.64 120.19 1stu s THR 43 Ca 0.22 -3.28 -0.02 0.00 0.31 0.00 0.00 61.69 58.93 1stu s THR 43 Cb -0.14 -2.84 0.03 0.00 0.01 0.00 0.00 72.50 69.56 1stu s THR 43 CO 0.08 -0.80 0.16 -1.84 -0.69 0.00 0.00 174.62 171.53 1stu n GLU 44 N 3.16 -0.11 -3.66 4.92 0.00 -1.26 -1.54 120.64 122.15 1stu n GLU 44 Ca 0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 57.16 56.88 1stu n GLU 44 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 31.44 31.59 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 -3.31 -0.33 -0.45 -1.84 0.00 0.12 -4.72 107.32 96.80 1stu s GLY 45 Ca 0.09 0.23 0.03 0.00 0.00 0.00 0.00 44.72 45.07 1stu s GLY 45 CO 0.06 0.07 0.20 -1.83 0.00 0.00 0.00 173.10 171.60 1stu s GLU 46 N -3.59 1.66 0.00 2.90 -1.05 -1.26 0.37 118.70 117.74 1stu s GLU 46 Ca 0.08 -2.25 0.00 0.00 -0.15 0.00 0.00 54.97 52.65 1stu s GLU 46 Cb -0.03 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.62 1stu s GLU 46 CO -0.02 -1.07 0.00 0.41 0.95 0.00 0.00 175.26 175.53 1stu n GLY 47 N 3.56 0.30 0.00 -3.83 0.00 0.09 -4.78 105.19 100.54 1stu n GLY 47 Ca 0.05 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1stu n GLY 47 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1stu n ASN 48 N -1.19 0.00 -3.69 1.61 4.13 -1.26 -1.17 115.26 113.68 1stu n ASN 48 Ca 0.00 -0.14 -0.18 0.00 1.68 0.00 0.00 54.58 55.94 1stu n ASN 48 Cb 0.00 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.34 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 5.00 0.14 7.00 7.41 0.00 0.33 -2.67 105.19 122.40 1stu n GLY 49 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.50 0.00 -1.47 1.61 4.81 -1.26 -3.65 118.16 115.70 1stu n LYS 50 Ca 0.12 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.27 1stu n LYS 50 Cb 0.42 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.40 1stu n LYS 50 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1stu n LYS 51 N 0.00 3.07 -0.03 1.64 2.85 -1.26 -4.13 118.16 120.30 1stu n LYS 51 Ca 0.00 -2.29 -0.05 0.00 -1.05 0.00 0.00 58.31 54.92 1stu n LYS 51 Cb 0.00 -2.34 -0.03 0.00 -0.65 0.00 0.00 35.03 32.02 1stu n LYS 51 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1stu n VAL 52 N 1.89 0.35 -0.27 0.58 3.14 -1.24 -4.63 118.33 118.15 1stu n VAL 52 Ca 0.56 -0.12 0.23 0.00 -2.96 0.00 0.00 64.34 62.05 1stu n VAL 52 Cb 0.51 -1.02 0.43 0.00 -1.06 0.00 0.00 33.84 32.70 1stu n VAL 52 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1stu n SER 53 N -2.89 0.20 0.34 6.55 2.88 -1.23 -0.22 113.62 119.25 1stu n SER 53 Ca -0.11 1.38 -0.14 0.00 -1.33 0.00 0.00 58.87 58.67 1stu n SER 53 Cb 0.60 -0.63 -0.06 0.00 -0.75 0.00 0.00 64.21 63.37 1stu n SER 53 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1stu h LYS 54 N 0.00 -0.85 -0.09 -1.46 2.10 -1.89 -0.45 116.57 113.92 1stu h LYS 54 Ca 0.66 0.06 0.02 0.00 -2.00 0.00 0.00 60.65 59.39 1stu h LYS 54 Cb 1.68 0.19 -0.05 0.00 -0.90 0.00 0.00 32.23 33.15 1stu h LYS 54 CO -0.67 -0.57 -0.43 0.87 -2.00 0.00 0.00 179.45 176.65 1stu h LYS 55 N -1.04 -0.46 -0.08 0.07 1.57 -0.86 -1.51 116.57 114.25 1stu h LYS 55 Ca -0.09 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1stu h LYS 55 Cb 0.68 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1stu h LYS 55 CO 0.15 -0.30 -0.09 0.00 -0.57 0.00 0.00 179.45 178.64 1stu h ARG 56 N -0.47 -0.05 -0.70 3.15 2.47 -1.19 0.14 114.38 117.73 1stu h ARG 56 Ca 0.02 0.00 0.18 0.00 -1.26 0.00 0.00 59.98 58.92 1stu h ARG 56 Cb 0.55 0.01 -0.13 0.00 -1.65 0.00 0.00 29.97 28.75 1stu h ARG 56 CO -0.34 -0.03 -0.04 0.00 0.56 0.00 0.00 179.97 180.12 1stu n ALA 57 N -2.83 0.30 0.18 0.04 0.00 -0.18 0.17 120.51 118.19 1stu n ALA 57 Ca -0.00 0.76 -0.14 0.00 0.00 0.00 0.00 53.44 54.05 1stu n ALA 57 Cb 0.05 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 1stu n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1stu h ALA 58 N 1.40 -0.45 -0.96 0.00 0.00 0.28 -0.42 119.26 119.11 1stu h ALA 58 Ca 0.40 -0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.44 1stu h ALA 58 Cb 0.76 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1stu h ALA 58 CO -0.68 -0.77 0.54 0.93 0.00 0.00 0.00 179.25 179.27 1stu h GLU 59 N -0.47 0.59 -0.88 0.00 5.08 0.28 0.66 114.58 119.84 1stu h GLU 59 Ca -0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1stu h GLU 59 Cb 0.41 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1stu h GLU 59 CO -0.00 0.39 0.49 -0.22 -1.00 0.00 0.00 179.01 178.66 1stu h LYS 60 N 0.60 1.22 0.00 2.33 1.63 -0.10 0.73 116.57 122.98 1stu h LYS 60 Ca 0.58 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 60.25 1stu h LYS 60 Cb 1.02 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1stu h LYS 60 CO -0.44 0.89 0.00 -0.12 -3.45 0.00 0.00 179.45 176.32 1stu n MET 61 N -4.36 0.00 -0.08 1.90 1.56 0.21 -0.64 117.12 115.71 1stu n MET 61 Ca 0.09 0.48 -0.10 0.00 -0.27 0.00 0.00 57.70 57.90 1stu n MET 61 Cb 0.09 -1.24 -0.04 0.00 2.15 0.00 0.00 33.22 34.18 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 -1.28 -0.90 -0.89 3.38 -1.02 0.57 115.31 115.17 1stu h LEU 62 Ca 0.00 0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.34 1stu h LEU 62 Cb 0.00 0.56 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 1stu h LEU 62 CO 0.00 -0.37 0.47 0.58 0.09 0.00 0.00 178.44 179.21 1stu h VAL 63 N -0.36 0.65 0.03 1.22 2.07 -0.97 -1.29 116.25 117.59 1stu h VAL 63 Ca 0.13 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1stu h VAL 63 Cb 0.58 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1stu h VAL 63 CO -0.50 0.11 -0.03 -0.33 0.02 0.00 0.00 177.57 176.84 1stu h GLU 64 N 0.59 -0.05 -1.10 1.57 4.39 0.25 -1.13 114.58 119.10 1stu h GLU 64 Ca 0.52 0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.54 1stu h GLU 64 Cb 0.85 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.45 1stu h GLU 64 CO -0.42 -0.03 0.78 1.37 -1.16 0.00 0.00 179.01 179.54 1stu h LEU 65 N -0.05 0.10 -0.51 1.33 -0.00 -0.80 0.26 115.31 115.64 1stu h LEU 65 Ca -0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 57.88 57.81 1stu h LEU 65 Cb 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.69 1stu h LEU 65 CO -0.00 0.02 -0.01 1.56 -0.00 0.00 0.00 178.44 180.01 1stu h GLN 66 N 0.08 0.91 -0.31 0.17 1.08 -0.50 -2.79 115.11 113.74 1stu h GLN 66 Ca 0.55 -0.29 -0.09 0.00 -1.45 0.00 0.00 58.65 57.37 1stu h GLN 66 Cb 2.00 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 29.34 1stu h GLN 66 CO -0.07 0.94 -0.17 0.87 -0.95 0.00 0.00 178.83 179.45 1stu h LYS 67 N 0.77 0.55 0.00 1.46 1.57 0.72 -3.51 116.57 118.13 1stu h LYS 67 Ca 0.14 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1stu h LYS 67 Cb 0.53 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1stu h LYS 67 CO 0.03 0.70 0.00 1.28 -0.57 0.00 0.00 179.45 180.89