#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2i n SER -3 N 0.00 -3.65 -4.75 8.00 2.88 -1.25 -4.94 113.62 109.91 1b2i n SER -3 Ca 0.00 0.04 -0.41 0.00 -1.33 0.00 0.00 58.87 57.17 1b2i n SER -3 Cb 0.00 -1.30 -0.01 0.00 -0.75 0.00 0.00 64.21 62.15 1b2i n SER -3 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1b2i s GLU -2 N -1.11 4.12 -0.23 -1.46 -1.05 -1.26 -4.32 118.70 113.38 1b2i s GLU -2 Ca 0.00 2.58 -0.15 0.00 -0.15 0.00 0.00 54.97 57.25 1b2i s GLU -2 Cb 0.00 -3.02 -0.09 0.00 -0.44 0.00 0.00 34.13 30.57 1b2i s GLU -2 CO 0.00 -0.63 -0.34 -0.85 0.95 0.00 0.00 175.26 174.39 1b2i n GLU -1 N 2.07 0.54 -4.07 -4.83 0.00 -1.26 -2.28 120.64 110.82 1b2i n GLU -1 Ca 0.08 0.23 -0.35 0.00 0.00 0.00 0.00 57.16 57.12 1b2i n GLU -1 Cb 0.37 -1.43 -0.09 0.00 0.00 0.00 0.00 31.44 30.30 1b2i n GLU -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1b2i s MET 2 N -0.06 0.76 0.15 0.00 -1.94 -0.46 -4.81 119.30 112.94 1b2i s MET 2 Ca 0.06 -1.26 -0.18 0.00 -1.71 0.00 0.00 55.69 52.61 1b2i s MET 2 Cb -0.12 -0.13 0.03 0.00 2.01 0.00 0.00 34.83 36.62 1b2i s MET 2 CO 0.01 -0.03 1.72 0.45 -0.01 0.00 0.00 175.02 177.17 1b2i h HIS 3 N 3.14 0.06 0.00 -0.03 3.86 -1.94 -3.33 115.15 116.91 1b2i h HIS 3 Ca -0.35 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1b2i h HIS 3 Cb 1.16 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1b2i h HIS 3 CO 0.58 -0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.78 1b2i n GLY 4 N -1.21 0.00 0.03 2.45 0.00 -1.26 -4.87 105.19 100.32 1b2i n GLY 4 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1b2i n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b2i n SER 5 N 0.00 0.72 -1.53 1.61 3.41 -1.26 -4.12 113.62 112.45 1b2i n SER 5 Ca 0.00 0.27 -0.09 0.00 -0.26 0.00 0.00 58.87 58.79 1b2i n SER 5 Cb 0.00 -0.62 0.02 0.00 -0.26 0.00 0.00 64.21 63.35 1b2i n SER 5 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b2i n GLY 6 N 1.60 0.33 0.31 5.00 0.00 -1.26 -3.19 105.19 107.98 1b2i n GLY 6 Ca -0.04 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1b2i n GLY 6 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b2i h GLU 7 N -0.84 0.07 0.00 1.61 4.57 -1.95 -1.01 114.58 117.02 1b2i h GLU 7 Ca -0.21 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.94 1b2i h GLU 7 Cb 1.14 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.65 1b2i h GLU 7 CO 0.21 0.05 -0.45 -1.71 -1.18 0.00 0.00 179.01 175.93 1b2i n ASN 8 N -5.40 1.62 -4.72 1.04 5.15 -1.26 -4.29 115.26 107.40 1b2i n ASN 8 Ca 0.19 -3.23 -0.42 0.00 -0.60 0.00 0.00 54.58 50.52 1b2i n ASN 8 Cb 0.62 -0.44 -0.03 0.00 -0.53 0.00 0.00 39.78 39.40 1b2i n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1b2i s TYR 9 N -2.36 2.92 -0.33 1.20 5.04 -0.38 -4.40 117.35 119.04 1b2i s TYR 9 Ca 0.33 0.45 0.16 0.00 -2.44 0.00 0.00 57.07 55.56 1b2i s TYR 9 Cb 0.32 -4.04 0.44 0.00 0.35 0.00 0.00 41.96 39.03 1b2i s TYR 9 CO -0.05 -3.94 1.25 -0.40 -1.34 0.00 0.00 175.55 171.07 1b2i n ASP 10 N 4.12 -0.10 -0.91 4.32 5.68 -1.26 -4.58 116.55 123.82 1b2i n ASP 10 Ca 0.15 -2.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1b2i n ASP 10 Cb 0.37 0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1b2i n ASP 10 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b2i n GLY 11 N -0.74 1.78 4.24 6.12 0.00 -0.97 -3.88 105.19 111.74 1b2i n GLY 11 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1b2i n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b2i n LYS 12 N 0.45 0.00 -2.04 1.61 4.76 -1.26 -4.86 118.16 116.82 1b2i n LYS 12 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1b2i n LYS 12 Cb 0.43 -1.81 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 1b2i n LYS 12 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1b2i s ILE 13 N -0.86 3.00 -0.34 -0.18 1.09 -1.26 -4.81 121.20 117.83 1b2i s ILE 13 Ca 0.00 0.67 0.15 0.00 -1.10 0.00 0.00 60.65 60.37 1b2i s ILE 13 Cb 0.00 -3.43 0.46 0.00 -1.06 0.00 0.00 42.46 38.43 1b2i s ILE 13 CO 0.00 0.04 1.02 -0.24 -0.10 0.00 0.00 174.94 175.66 1b2i n SER 14 N 4.26 2.43 -3.92 3.58 2.88 -1.26 -2.45 113.62 119.15 1b2i n SER 14 Ca 0.13 -2.93 -0.26 0.00 -1.33 0.00 0.00 58.87 54.48 1b2i n SER 14 Cb 0.40 -0.50 -0.17 0.00 -0.75 0.00 0.00 64.21 63.20 1b2i n SER 14 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1b2i s LYS 15 N -3.33 1.54 0.05 -1.46 3.01 -1.26 -0.50 119.74 117.79 1b2i s LYS 15 Ca 0.33 -0.27 -0.30 0.00 -1.01 0.00 0.00 55.97 54.72 1b2i s LYS 15 Cb 0.43 -1.56 -0.05 0.00 -1.01 0.00 0.00 37.83 35.64 1b2i s LYS 15 CO -0.03 -0.23 1.10 0.95 0.51 0.00 0.00 175.35 177.66 1b2i s THR 16 N 1.57 4.33 0.48 2.17 -4.23 0.28 -3.15 115.64 117.09 1b2i s THR 16 Ca 0.02 1.70 0.33 0.00 -1.18 0.00 0.00 61.69 62.57 1b2i s THR 16 Cb -0.13 -4.09 0.53 0.00 1.34 0.00 0.00 72.50 70.15 1b2i s THR 16 CO -0.07 0.15 1.71 0.00 -0.54 0.00 0.00 174.62 175.88 1b2i h MET 17 N 6.60 0.11 0.00 3.99 -0.00 -0.50 -0.59 114.93 124.53 1b2i h MET 17 Ca -0.42 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.70 59.22 1b2i h MET 17 Cb 1.22 -0.03 -0.12 0.00 -0.00 0.00 0.00 31.60 32.67 1b2i h MET 17 CO 0.78 0.07 -0.61 -1.13 -0.00 0.00 0.00 176.91 176.03 1b2i n SER 18 N -4.38 1.45 0.00 -0.10 3.41 -1.26 -4.92 113.62 107.83 1b2i n SER 18 Ca 0.31 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 1b2i n SER 18 Cb 1.33 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1b2i n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b2i n GLY 19 N -0.59 -0.85 3.41 5.00 0.00 -0.23 -5.16 105.19 106.77 1b2i n GLY 19 Ca 0.13 0.56 -0.23 0.00 0.00 0.00 0.00 46.02 46.48 1b2i n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b2i s LEU 20 N 0.00 1.88 0.28 0.99 1.43 -1.25 -4.87 118.68 117.14 1b2i s LEU 20 Ca 0.00 -1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 51.05 1b2i s LEU 20 Cb 0.00 0.25 -0.10 0.00 0.03 0.00 0.00 46.19 46.37 1b2i s LEU 20 CO 0.00 -1.03 1.10 -0.70 0.23 0.00 0.00 176.35 175.95 1b2i s GLU 21 N -3.54 4.63 0.44 1.70 2.56 -1.26 -0.56 118.70 122.66 1b2i s GLU 21 Ca 0.31 1.81 -0.22 0.00 0.00 0.00 0.00 54.97 56.88 1b2i s GLU 21 Cb 0.02 -3.18 -0.09 0.00 2.00 0.00 0.00 34.13 32.88 1b2i s GLU 21 CO 0.21 0.20 1.02 0.00 -0.56 0.00 0.00 175.26 176.13 1b2i s GLN 23 N -2.93 3.87 0.36 0.00 -0.44 0.31 -4.81 119.66 116.02 1b2i s GLN 23 Ca 0.62 0.32 -0.28 0.00 -2.50 0.00 0.00 55.36 53.52 1b2i s GLN 23 Cb -0.17 -3.23 -0.11 0.00 -1.64 0.00 0.00 33.01 27.87 1b2i s GLN 23 CO 0.21 0.68 1.41 0.00 0.50 0.00 0.00 175.29 178.08 1b2i s ALA 24 N -0.97 3.52 0.61 1.58 0.00 -1.26 -4.31 121.76 120.93 1b2i s ALA 24 Ca 0.22 1.44 0.33 0.00 0.00 0.00 0.00 51.96 53.95 1b2i s ALA 24 Cb -0.16 -3.55 1.95 0.00 0.00 0.00 0.00 23.12 21.36 1b2i s ALA 24 CO 0.12 -0.89 2.28 -1.49 0.00 0.00 0.00 175.76 175.78 1b2i h TRP 25 N 3.12 0.00 -0.40 0.00 4.06 -0.91 -3.45 115.95 118.38 1b2i h TRP 25 Ca -0.50 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.45 1b2i h TRP 25 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 1b2i h TRP 25 CO 0.54 0.00 0.00 -3.47 -3.56 0.00 0.00 178.44 171.95 1b2i n ASP 26 N -3.68 0.00 -4.41 -3.49 2.03 -1.26 -3.87 116.55 101.86 1b2i n ASP 26 Ca -0.03 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.84 1b2i n ASP 26 Cb 0.09 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.42 1b2i n ASP 26 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1b2i s SER 27 N -1.00 6.19 0.16 1.67 0.15 -1.26 -4.70 113.70 114.91 1b2i s SER 27 Ca 0.00 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.50 1b2i s SER 27 Cb 0.00 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1b2i s SER 27 CO 0.00 -0.81 0.00 0.00 1.20 0.00 0.00 173.24 173.63 1b2i n GLN 28 N 5.78 0.00 0.00 5.44 -0.00 -1.26 -5.11 117.38 122.22 1b2i n GLN 28 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.91 1b2i n GLN 28 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.68 1b2i n GLN 28 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1b2i n SER 29 N -3.02 0.00 0.21 2.61 3.41 -1.26 -4.82 113.62 110.76 1b2i n SER 29 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1b2i n SER 29 Cb 0.00 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 64.72 1b2i n SER 29 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1b2i h PRO 30 N 0.00 0.00 -2.22 4.33 0.11 -1.91 -3.45 132.00 128.85 1b2i h PRO 30 Ca 0.00 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.26 1b2i h PRO 30 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 1b2i h PRO 30 CO 0.00 0.00 0.52 -1.58 -0.21 0.00 0.00 178.00 176.73 1b2i s HIS 31 N -3.71 -0.24 -0.79 0.65 5.65 -1.26 -5.07 115.29 110.52 1b2i s HIS 31 Ca -0.03 0.04 -0.25 0.00 0.25 0.00 0.00 55.06 55.07 1b2i s HIS 31 Cb 0.08 0.58 -0.04 0.00 -1.18 0.00 0.00 32.58 32.02 1b2i s HIS 31 CO 0.26 -0.62 1.93 0.00 -0.65 0.00 0.00 174.74 175.66 1b2i s ALA 32 N -3.11 1.83 -1.42 1.58 0.00 -1.26 -4.76 121.76 114.62 1b2i s ALA 32 Ca 0.08 -1.16 0.26 0.00 0.00 0.00 0.00 51.96 51.15 1b2i s ALA 32 Cb -0.01 -4.46 1.33 0.00 0.00 0.00 0.00 23.12 19.98 1b2i s ALA 32 CO -0.04 -4.49 1.89 -2.39 0.00 0.00 0.00 175.76 170.73 1b2i n HIS 33 N 13.63 0.00 0.00 0.00 -0.00 -1.26 -5.04 115.22 122.55 1b2i n HIS 33 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.05 1b2i n HIS 33 Cb 0.49 -0.29 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 1b2i n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1b2i n GLY 34 N 0.96 -0.41 3.58 -1.39 0.00 -1.26 -4.99 105.19 101.67 1b2i n GLY 34 Ca 0.12 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 1b2i n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b2i n TYR 36 N -0.49 -2.44 -3.39 1.61 4.02 -1.26 -4.95 117.16 110.26 1b2i n TYR 36 Ca 0.00 0.95 -0.44 0.00 -0.01 0.00 0.00 57.90 58.40 1b2i n TYR 36 Cb 0.00 -4.87 -0.08 0.00 -0.02 0.00 0.00 39.34 34.37 1b2i n TYR 36 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1b2i s ILE 37 N -3.38 5.22 0.29 -0.72 1.01 -1.25 -4.61 121.20 117.77 1b2i s ILE 37 Ca 0.29 -0.95 0.10 0.00 0.00 0.00 0.00 60.65 60.09 1b2i s ILE 37 Cb -0.13 -4.09 0.10 0.00 0.01 0.00 0.00 42.46 38.34 1b2i s ILE 37 CO 0.75 -0.53 1.17 1.55 0.00 0.00 0.00 174.94 177.88 1b2i h PRO 38 N 8.74 0.00 0.00 2.79 0.13 -1.93 -2.76 132.00 138.97 1b2i h PRO 38 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1b2i h PRO 38 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1b2i h PRO 38 CO 0.85 0.00 0.05 -1.13 -0.23 0.00 0.00 178.00 177.54 1b2i n SER 39 N -2.13 0.49 -0.44 1.44 3.41 -1.26 -0.85 113.62 114.29 1b2i n SER 39 Ca -0.01 0.71 0.04 0.00 -0.26 0.00 0.00 58.87 59.36 1b2i n SER 39 Cb 0.55 -0.76 0.09 0.00 -0.26 0.00 0.00 64.21 63.83 1b2i n SER 39 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b2i n LYS 40 N -2.18 2.10 -3.89 4.33 5.02 -1.04 -4.94 118.16 117.56 1b2i n LYS 40 Ca -0.01 -1.65 -0.35 0.00 -2.02 0.00 0.00 58.31 54.28 1b2i n LYS 40 Cb 0.08 -1.19 -0.13 0.00 -0.02 0.00 0.00 35.03 33.76 1b2i n LYS 40 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1b2i s PHE 41 N -0.91 3.34 -0.99 2.13 0.40 -0.03 -4.90 117.98 117.02 1b2i s PHE 41 Ca 0.15 -2.01 0.14 0.00 -0.60 0.00 0.00 56.93 54.61 1b2i s PHE 41 Cb 0.08 -2.34 0.59 0.00 0.51 0.00 0.00 43.02 41.86 1b2i s PHE 41 CO 0.11 -0.84 1.44 -0.35 0.70 0.00 0.00 175.22 176.29 1b2i n PRO 42 N 4.60 0.00 0.00 0.24 -0.04 -1.26 -4.72 135.00 133.83 1b2i n PRO 42 Ca -0.10 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1b2i n PRO 42 Cb 0.43 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1b2i n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1b2i n ASN 43 N -1.51 -0.80 -2.57 3.54 2.85 -1.26 -5.01 115.26 110.49 1b2i n ASN 43 Ca 0.03 -0.34 -0.00 0.00 -0.11 0.00 0.00 54.58 54.16 1b2i n ASN 43 Cb 0.16 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.24 1b2i n ASN 43 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1b2i n LYS 44 N -1.15 1.37 0.03 1.20 0.00 -1.26 -4.89 118.16 113.46 1b2i n LYS 44 Ca 0.00 -2.78 -0.11 0.00 -0.00 0.00 0.00 58.31 55.42 1b2i n LYS 44 Cb 0.00 -0.93 -0.08 0.00 -0.00 0.00 0.00 35.03 34.02 1b2i n LYS 44 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.40 174.45 1b2i h ASN 45 N 1.99 -0.13 -4.05 -5.58 -1.07 -1.95 -3.45 115.58 101.34 1b2i h ASN 45 Ca -0.23 -0.43 -0.50 0.00 0.07 0.00 0.00 56.30 55.21 1b2i h ASN 45 Cb 1.36 0.03 0.05 0.00 -2.07 0.00 0.00 38.32 37.70 1b2i h ASN 45 CO 0.08 0.46 0.30 -0.76 0.07 0.00 0.00 177.43 177.58 1b2i s LEU 46 N -8.91 3.31 0.00 6.14 2.01 -1.26 -4.83 118.68 115.14 1b2i s LEU 46 Ca -0.13 1.15 0.00 0.00 0.01 0.00 0.00 54.13 55.16 1b2i s LEU 46 Cb 0.00 -4.11 0.00 0.00 0.01 0.00 0.00 46.19 42.09 1b2i s LEU 46 CO 0.51 -0.87 0.00 1.17 1.01 0.00 0.00 176.35 178.17 1b2i n LYS 47 N -2.62 0.00 0.00 1.70 4.81 -1.26 -5.00 118.16 115.80 1b2i n LYS 47 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1b2i n LYS 47 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1b2i n LYS 47 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1b2i n LYS 48 N 0.00 0.00 -0.16 1.64 4.76 -1.26 -4.16 118.16 118.98 1b2i n LYS 48 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 1b2i n LYS 48 Cb 0.00 -0.18 0.02 0.00 -1.84 0.00 0.00 35.03 33.02 1b2i n LYS 48 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1b2i n ASN 49 N 0.00 0.69 -4.79 4.39 6.94 -1.26 -0.43 115.26 120.80 1b2i n ASN 49 Ca 0.00 -1.78 -0.35 0.00 -0.02 0.00 0.00 54.58 52.43 1b2i n ASN 49 Cb 0.00 -0.12 -0.04 0.00 -2.36 0.00 0.00 39.78 37.26 1b2i n ASN 49 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b2i s TYR 50 N -0.59 3.14 0.62 -2.53 2.02 -1.26 -4.57 117.35 114.18 1b2i s TYR 50 Ca 0.05 1.61 -0.19 0.00 -0.37 0.00 0.00 57.07 58.17 1b2i s TYR 50 Cb 0.04 -3.09 -0.02 0.00 -0.40 0.00 0.00 41.96 38.49 1b2i s TYR 50 CO 0.00 -0.70 1.27 0.00 -1.57 0.00 0.00 175.55 174.55 1b2i n ARG 52 N -1.70 0.38 -3.13 0.00 5.12 0.42 -4.62 116.66 113.14 1b2i n ARG 52 Ca 0.15 -2.24 -0.22 0.00 -1.93 0.00 0.00 57.85 53.61 1b2i n ARG 52 Cb 0.48 1.96 -0.04 0.00 -1.16 0.00 0.00 32.46 33.70 1b2i n ARG 52 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1b2i n ASN 53 N -1.94 2.09 0.01 0.55 4.13 -1.26 -0.70 115.26 118.14 1b2i n ASN 53 Ca 0.03 -3.22 0.11 0.00 1.68 0.00 0.00 54.58 53.19 1b2i n ASN 53 Cb 0.43 -0.61 0.54 0.00 -1.54 0.00 0.00 39.78 38.60 1b2i n ASN 53 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1b2i h PRO 54 N 3.17 0.30 -0.01 3.52 0.11 -1.91 -1.46 132.00 135.72 1b2i h PRO 54 Ca 0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1b2i h PRO 54 Cb 0.80 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1b2i h PRO 54 CO 0.62 0.20 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.19 1b2i n ASP 55 N -4.47 1.54 -3.87 -2.05 5.68 -1.26 -5.03 116.55 107.09 1b2i n ASP 55 Ca 0.06 -1.27 -0.34 0.00 -0.50 0.00 0.00 54.79 52.74 1b2i n ASP 55 Cb 0.29 0.04 0.01 0.00 -1.14 0.00 0.00 41.12 40.33 1b2i n ASP 55 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1b2i n ARG 56 N 0.33 -0.92 -0.64 0.11 0.00 -0.55 -4.99 116.66 110.01 1b2i n ARG 56 Ca 0.04 0.45 -0.29 0.00 -0.00 0.00 0.00 57.85 58.05 1b2i n ARG 56 Cb 0.17 -2.78 0.21 0.00 -0.00 0.00 0.00 32.46 30.07 1b2i n ARG 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1b2i s GLU 57 N -6.08 -0.10 0.18 2.89 2.56 -1.26 -4.93 118.70 111.97 1b2i s GLU 57 Ca 0.28 1.10 -0.13 0.00 0.00 0.00 0.00 54.97 56.22 1b2i s GLU 57 Cb -0.14 -1.63 0.17 0.00 2.00 0.00 0.00 34.13 34.53 1b2i s GLU 57 CO 0.92 -3.25 1.73 1.25 -0.56 0.00 0.00 175.26 175.36 1b2i h LEU 58 N -2.29 0.10 -9.04 2.70 5.85 -1.92 -3.41 115.31 107.30 1b2i h LEU 58 Ca -0.54 0.07 -0.68 0.00 0.84 0.00 0.00 57.88 57.57 1b2i h LEU 58 Cb 1.31 0.08 -0.20 0.00 0.37 0.00 0.00 40.66 42.21 1b2i h LEU 58 CO 0.47 0.08 -0.78 -0.60 -0.34 0.00 0.00 178.44 177.28 1b2i s ARG 59 N -6.14 2.20 0.19 1.25 6.06 -1.26 -4.24 118.95 117.01 1b2i s ARG 59 Ca -0.13 -0.92 -0.31 0.00 -2.50 0.00 0.00 55.73 51.87 1b2i s ARG 59 Cb 0.15 -2.27 -0.10 0.00 0.06 0.00 0.00 34.95 32.78 1b2i s ARG 59 CO 0.73 0.55 1.53 -1.25 -2.50 0.00 0.00 175.30 174.36 1b2i s PRO 61 N -1.47 4.23 0.32 5.12 0.04 -1.19 -4.77 135.00 137.27 1b2i s PRO 61 Ca 0.16 2.35 0.04 0.00 0.04 0.00 0.00 61.00 63.59 1b2i s PRO 61 Cb -0.11 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 1b2i s PRO 61 CO 0.06 -0.56 0.04 1.67 0.04 0.00 0.00 177.00 178.25 1b2i s TRP 62 N 0.82 1.95 0.25 0.56 1.48 0.12 -0.08 118.94 124.05 1b2i s TRP 62 Ca 0.67 -0.92 -0.17 0.00 -1.06 0.00 0.00 56.10 54.63 1b2i s TRP 62 Cb -0.43 -1.25 0.01 0.00 -1.16 0.00 0.00 33.47 30.63 1b2i s TRP 62 CO 0.35 0.05 0.58 0.00 -4.06 0.00 0.00 176.95 173.87 1b2i s PHE 64 N -3.95 3.09 0.65 0.00 0.08 -1.26 -1.43 117.98 115.15 1b2i s PHE 64 Ca 0.16 1.59 0.02 0.00 0.12 0.00 0.00 56.93 58.82 1b2i s PHE 64 Cb -0.03 -3.02 0.10 0.00 -0.57 0.00 0.00 43.02 39.50 1b2i s PHE 64 CO 0.06 -0.65 0.89 0.95 -0.10 0.00 0.00 175.22 176.38 1b2i s THR 65 N -2.00 2.28 -1.54 0.64 -4.23 0.17 -0.53 115.64 110.44 1b2i s THR 65 Ca 0.65 -0.70 0.27 0.00 -1.18 0.00 0.00 61.69 60.73 1b2i s THR 65 Cb -0.15 -2.58 0.27 0.00 1.34 0.00 0.00 72.50 71.38 1b2i s THR 65 CO 0.19 0.00 1.64 0.35 -0.54 0.00 0.00 174.62 176.26 1b2i n THR 66 N -2.58 0.00 -2.97 3.99 -2.24 -0.99 -4.18 114.28 105.31 1b2i n THR 66 Ca 0.13 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 1b2i n THR 66 Cb 0.61 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.97 1b2i n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b2i s ASP 67 N -2.62 7.12 0.00 3.42 2.15 -1.26 -4.93 116.67 120.55 1b2i s ASP 67 Ca 0.22 1.35 0.00 0.00 0.43 0.00 0.00 52.55 54.55 1b2i s ASP 67 Cb 0.19 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1b2i s ASP 67 CO 0.54 -0.10 0.67 -2.65 -0.17 0.00 0.00 175.17 173.46 1b2i n PRO 68 N 3.51 0.00 -0.00 4.34 -0.02 -1.26 -2.72 135.00 138.85 1b2i n PRO 68 Ca -0.00 0.22 -0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1b2i n PRO 68 Cb 0.51 -1.56 -0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1b2i n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1b2i n ASN 69 N -1.17 4.35 -4.51 2.55 5.03 -1.26 -4.86 115.26 115.39 1b2i n ASN 69 Ca 0.00 -0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.02 1b2i n ASN 69 Cb 0.06 0.18 -0.02 0.00 -1.02 0.00 0.00 39.78 38.98 1b2i n ASN 69 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1b2i s LYS 70 N -2.00 3.64 0.00 3.52 2.47 -1.10 -4.88 119.74 121.39 1b2i s LYS 70 Ca -0.00 -1.54 0.00 0.00 -1.56 0.00 0.00 55.97 52.87 1b2i s LYS 70 Cb 0.00 -5.15 0.00 0.00 -1.46 0.00 0.00 37.83 31.22 1b2i s LYS 70 CO 0.00 -1.99 0.31 -2.13 0.16 0.00 0.00 175.35 171.70 1b2i n ARG 71 N 7.61 0.00 -3.24 4.03 0.00 -1.26 -3.57 116.66 120.23 1b2i n ARG 71 Ca 0.30 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.90 1b2i n ARG 71 Cb 0.49 -0.80 -0.01 0.00 0.00 0.00 0.00 32.46 32.14 1b2i n ARG 71 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 1b2i s TRP 72 N -0.61 3.51 -0.21 -0.14 1.48 -1.26 -0.65 118.94 121.05 1b2i s TRP 72 Ca 0.00 0.47 -0.27 0.00 -1.06 0.00 0.00 56.10 55.23 1b2i s TRP 72 Cb 0.00 -1.99 0.11 0.00 -1.16 0.00 0.00 33.47 30.43 1b2i s TRP 72 CO 0.00 0.06 0.94 -2.00 -4.06 0.00 0.00 176.95 171.89 1b2i s GLU 73 N -4.29 0.64 0.43 3.25 2.12 -0.51 -4.82 118.70 115.51 1b2i s GLU 73 Ca 0.42 0.44 -0.24 0.00 0.36 0.00 0.00 54.97 55.95 1b2i s GLU 73 Cb -0.10 0.31 -0.08 0.00 0.26 0.00 0.00 34.13 34.52 1b2i s GLU 73 CO 0.37 -0.14 1.16 -0.51 -0.54 0.00 0.00 175.26 175.60 1b2i s LEU 74 N -0.39 4.11 0.28 2.70 1.43 -1.26 -1.76 118.68 123.79 1b2i s LEU 74 Ca -0.01 2.30 0.07 0.00 -1.03 0.00 0.00 54.13 55.47 1b2i s LEU 74 Cb -0.03 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.03 1b2i s LEU 74 CO -0.01 -0.76 0.23 0.00 0.23 0.00 0.00 176.35 176.04 1b2i s ASP 76 N -3.89 4.46 -0.04 0.00 2.15 -1.19 -4.49 116.67 113.67 1b2i s ASP 76 Ca 0.35 -0.32 0.02 0.00 0.43 0.00 0.00 52.55 53.03 1b2i s ASP 76 Cb -0.07 -1.76 -0.03 0.00 -0.30 0.00 0.00 42.92 40.76 1b2i s ASP 76 CO 0.26 0.03 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.58 1b2i s ILE 77 N 1.22 3.65 -0.17 4.11 1.09 -1.26 -4.86 121.20 124.98 1b2i s ILE 77 Ca 0.03 -0.59 -0.42 0.00 -1.10 0.00 0.00 60.65 58.57 1b2i s ILE 77 Cb -0.14 -2.52 -0.20 0.00 -1.06 0.00 0.00 42.46 38.54 1b2i s ILE 77 CO -0.01 0.53 1.28 -2.65 -0.10 0.00 0.00 174.94 173.99 1b2i n PRO 78 N 2.00 0.10 -2.52 2.79 -0.02 -1.23 -4.67 135.00 131.45 1b2i n PRO 78 Ca -0.17 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 60.92 1b2i n PRO 78 Cb 0.53 -1.55 -0.02 0.00 -0.02 0.00 0.00 33.50 32.43 1b2i n PRO 78 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1b2i s ARG 79 N 1.10 4.32 -1.05 -0.52 6.06 -1.26 -1.36 118.95 126.25 1b2i s ARG 79 Ca 0.95 1.57 -0.23 0.00 -2.50 0.00 0.00 55.73 55.52 1b2i s ARG 79 Cb -1.32 -3.62 -0.06 0.00 0.06 0.00 0.00 34.95 30.01 1b2i s ARG 79 CO 0.65 -0.52 1.92 0.00 -2.50 0.00 0.00 175.30 174.85