#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2i s SER -3 N 0.00 4.18 -0.20 3.42 0.01 -1.26 -4.95 113.70 114.90 1b2i s SER -3 Ca 0.00 -2.38 -0.29 0.00 1.31 0.00 0.00 55.95 54.59 1b2i s SER -3 Cb 0.00 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.94 1b2i s SER -3 CO 0.00 -0.32 1.12 -1.61 0.41 0.00 0.00 173.24 172.84 1b2i s GLU -2 N 0.62 4.26 -0.12 12.44 0.41 -1.25 -4.46 118.70 130.60 1b2i s GLU -2 Ca 0.14 1.47 -0.20 0.00 -0.41 0.00 0.00 54.97 55.97 1b2i s GLU -2 Cb -0.22 -3.68 -0.26 0.00 -1.78 0.00 0.00 34.13 28.20 1b2i s GLU -2 CO -0.07 -0.64 0.58 0.93 -0.49 0.00 0.00 175.26 175.57 1b2i h GLU -1 N 7.69 0.16 -6.01 1.61 4.39 -1.93 -1.85 114.58 118.63 1b2i h GLU -1 Ca -0.22 -0.27 -0.58 0.00 0.34 0.00 0.00 59.36 58.63 1b2i h GLU -1 Cb 1.08 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1b2i h GLU -1 CO 0.97 1.13 -0.46 0.00 -1.16 0.00 0.00 179.01 179.49 1b2i s MET 2 N -2.89 1.61 0.41 0.00 -1.94 -0.82 -4.73 119.30 110.94 1b2i s MET 2 Ca 0.35 -1.53 0.14 0.00 -1.71 0.00 0.00 55.69 52.95 1b2i s MET 2 Cb -0.12 -1.87 0.88 0.00 2.01 0.00 0.00 34.83 35.72 1b2i s MET 2 CO 0.28 0.39 1.91 0.45 -0.01 0.00 0.00 175.02 178.04 1b2i h HIS 3 N 3.02 0.00 0.00 -0.03 3.86 -1.91 -0.44 115.15 119.65 1b2i h HIS 3 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1b2i h HIS 3 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1b2i h HIS 3 CO 0.70 0.28 0.00 0.41 0.86 0.00 0.00 177.93 180.18 1b2i n GLY 4 N -0.70 0.01 1.80 2.45 0.00 -1.26 -4.85 105.19 102.63 1b2i n GLY 4 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.06 0.00 1.61 3.41 -1.26 -4.85 113.62 112.59 1b2i n SER 5 Ca 0.00 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1b2i n SER 5 Cb 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 1.92 0.86 0.36 5.00 0.00 -1.26 -3.73 105.19 108.34 1b2i n GLY 6 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 2.16 0.81 -1.99 1.61 4.57 -1.94 0.11 114.58 119.92 1b2i h GLU 7 Ca 0.00 -0.05 -0.60 0.00 -1.18 0.00 0.00 59.36 57.53 1b2i h GLU 7 Cb 0.00 -0.18 -0.41 0.00 -0.16 0.00 0.00 28.75 27.99 1b2i h GLU 7 CO 0.00 0.54 -0.58 -1.71 -1.18 0.00 0.00 179.01 176.08 1b2i n ASN 8 N -4.68 4.75 -4.62 1.04 5.15 -1.26 -4.79 115.26 110.85 1b2i n ASN 8 Ca 0.21 -3.70 -0.42 0.00 -0.60 0.00 0.00 54.58 50.06 1b2i n ASN 8 Cb 0.48 -0.55 -0.04 0.00 -0.53 0.00 0.00 39.78 39.14 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 -3.55 3.17 -0.31 1.20 6.14 0.38 -4.61 117.35 119.78 1b2i s TYR 9 Ca 0.48 0.87 0.18 0.00 0.64 0.00 0.00 57.07 59.24 1b2i s TYR 9 Cb 0.33 -3.37 0.46 0.00 0.42 0.00 0.00 41.96 39.79 1b2i s TYR 9 CO -0.17 -0.65 1.24 -0.40 0.64 0.00 0.00 175.55 176.22 1b2i n ASP 10 N 6.42 0.28 0.00 4.32 5.68 -1.16 -4.68 116.55 127.40 1b2i n ASP 10 Ca 0.06 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 1b2i n ASP 10 Cb 0.48 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 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 -0.81 0.79 0.00 6.12 0.00 -0.71 -3.74 105.19 106.85 1b2i n GLY 11 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -0.06 -2.47 1.61 4.76 -1.26 -4.94 118.16 115.80 1b2i n LYS 12 Ca 0.00 -0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 54.95 1b2i n LYS 12 Cb 0.00 -0.54 -0.04 0.00 -1.84 0.00 0.00 35.03 32.60 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 -0.01 3.58 -0.16 -0.18 1.09 -1.26 -4.88 121.20 119.38 1b2i s ILE 13 Ca 0.00 1.49 0.24 0.00 -1.10 0.00 0.00 60.65 61.28 1b2i s ILE 13 Cb 0.00 -3.95 0.48 0.00 -1.06 0.00 0.00 42.46 37.93 1b2i s ILE 13 CO 0.00 0.31 1.13 -0.24 -0.10 0.00 0.00 174.94 176.05 1b2i n SER 14 N 1.67 1.42 -4.09 3.58 2.88 -1.26 -2.79 113.62 115.02 1b2i n SER 14 Ca 0.01 -2.06 -0.31 0.00 -1.33 0.00 0.00 58.87 55.18 1b2i n SER 14 Cb 0.45 -0.41 -0.16 0.00 -0.75 0.00 0.00 64.21 63.33 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 -2.40 2.61 -0.10 -1.46 3.01 -1.26 -0.28 119.74 119.85 1b2i s LYS 15 Ca 0.30 -0.69 -0.28 0.00 -1.01 0.00 0.00 55.97 54.29 1b2i s LYS 15 Cb 0.35 -2.22 -0.02 0.00 -1.01 0.00 0.00 37.83 34.93 1b2i s LYS 15 CO -0.09 -0.11 0.92 0.95 0.51 0.00 0.00 175.35 177.53 1b2i s THR 16 N 1.10 4.85 0.33 2.17 -4.23 -0.01 -1.32 115.64 118.54 1b2i s THR 16 Ca -0.02 1.88 0.12 0.00 -1.18 0.00 0.00 61.69 62.49 1b2i s THR 16 Cb -0.14 -4.24 0.37 0.00 1.34 0.00 0.00 72.50 69.83 1b2i s THR 16 CO -0.06 0.06 1.52 1.15 -0.54 0.00 0.00 174.62 176.75 1b2i n MET 17 N 4.77 -0.07 -0.05 3.99 0.00 0.14 -2.74 117.12 123.16 1b2i n MET 17 Ca 0.06 1.38 -0.08 0.00 0.00 0.00 0.00 57.70 59.07 1b2i n MET 17 Cb 0.49 -2.35 -0.05 0.00 0.00 0.00 0.00 33.22 31.32 1b2i n MET 17 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1b2i n SER 18 N -5.29 2.89 0.00 3.17 3.41 -1.26 -4.95 113.62 111.58 1b2i n SER 18 Ca 0.30 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1b2i n SER 18 Cb 1.02 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 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 2.92 -0.64 0.00 5.00 0.00 -1.11 -5.13 105.19 106.24 1b2i n GLY 19 Ca -0.18 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1b2i n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b2i n LEU 20 N 0.00 0.00 -4.77 0.99 4.32 -1.25 -4.90 117.00 111.39 1b2i n LEU 20 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.61 1b2i n LEU 20 Cb 0.00 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 1b2i n LEU 20 CO 0.00 0.00 0.84 -0.70 -1.22 0.00 0.00 177.39 176.31 1b2i s GLU 21 N 1.43 3.86 0.26 3.23 2.56 -1.26 -0.83 118.70 127.94 1b2i s GLU 21 Ca 0.00 1.82 -0.30 0.00 0.00 0.00 0.00 54.97 56.49 1b2i s GLU 21 Cb 0.00 -2.51 -0.09 0.00 2.00 0.00 0.00 34.13 33.53 1b2i s GLU 21 CO 0.00 -0.48 0.99 0.00 -0.56 0.00 0.00 175.26 175.21 1b2i s GLN 23 N -1.31 4.16 0.67 0.00 -0.44 0.62 -4.78 119.66 118.57 1b2i s GLN 23 Ca 0.43 0.28 -0.16 0.00 -2.50 0.00 0.00 55.36 53.40 1b2i s GLN 23 Cb -0.27 -3.36 0.01 0.00 -1.64 0.00 0.00 33.01 27.74 1b2i s GLN 23 CO 0.34 0.36 1.20 0.00 0.50 0.00 0.00 175.29 177.69 1b2i s ALA 24 N 0.04 2.32 -1.33 1.58 0.00 -1.26 -3.82 121.76 119.29 1b2i s ALA 24 Ca 0.21 0.91 0.18 0.00 0.00 0.00 0.00 51.96 53.26 1b2i s ALA 24 Cb -0.15 -3.45 0.86 0.00 0.00 0.00 0.00 23.12 20.39 1b2i s ALA 24 CO 0.08 -1.55 1.54 0.91 0.00 0.00 0.00 175.76 176.75 1b2i n TRP 25 N -2.25 0.00 -0.04 0.00 7.02 0.77 -4.76 117.44 118.19 1b2i n TRP 25 Ca 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.61 1b2i n TRP 25 Cb 0.50 -0.34 0.00 0.00 -2.42 0.00 0.00 31.31 29.05 1b2i n TRP 25 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1b2i n ASP 26 N -1.34 -0.05 -4.16 -0.99 8.00 -1.26 -4.02 116.55 112.73 1b2i n ASP 26 Ca 0.07 -0.04 -0.35 0.00 0.71 0.00 0.00 54.79 55.18 1b2i n ASP 26 Cb 0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.13 1b2i n ASP 26 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1b2i s SER 27 N -1.39 5.02 0.00 -2.24 0.15 -1.26 -4.80 113.70 109.18 1b2i s SER 27 Ca 0.00 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.14 1b2i s SER 27 Cb 0.00 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1b2i s SER 27 CO 0.00 -0.35 0.00 0.00 1.20 0.00 0.00 173.24 174.09 1b2i n GLN 28 N 4.62 0.00 -3.65 5.44 -0.00 -1.26 -5.05 117.38 117.48 1b2i n GLN 28 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 56.90 1b2i n GLN 28 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 30.24 30.66 1b2i n GLN 28 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1b2i s SER 29 N -3.22 -0.10 0.00 2.61 1.04 -1.26 -4.69 113.70 108.08 1b2i s SER 29 Ca 0.00 -0.19 0.10 0.00 0.48 0.00 0.00 55.95 56.34 1b2i s SER 29 Cb 0.00 0.24 0.43 0.00 0.10 0.00 0.00 66.02 66.79 1b2i s SER 29 CO 0.00 -0.44 1.31 -2.65 0.98 0.00 0.00 173.24 172.44 1b2i n PRO 30 N -0.45 0.01 -3.48 4.02 -0.02 -1.26 -4.85 135.00 128.96 1b2i n PRO 30 Ca -0.07 0.32 -0.15 0.00 -2.02 0.00 0.00 63.50 61.58 1b2i n PRO 30 Cb 0.62 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.56 1b2i n PRO 30 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1b2i s HIS 31 N -2.97 -0.57 -1.12 6.00 5.65 -1.26 -5.07 115.29 115.94 1b2i s HIS 31 Ca 0.05 0.73 -0.22 0.00 0.25 0.00 0.00 55.06 55.87 1b2i s HIS 31 Cb 0.06 0.48 -0.01 0.00 -1.18 0.00 0.00 32.58 31.93 1b2i s HIS 31 CO 0.18 -0.68 1.79 0.00 -0.65 0.00 0.00 174.74 175.38 1b2i s ALA 32 N -2.29 2.35 1.00 1.58 0.00 -1.26 -4.70 121.76 118.43 1b2i s ALA 32 Ca -0.05 -2.24 -0.14 0.00 0.00 0.00 0.00 51.96 49.54 1b2i s ALA 32 Cb -0.00 -4.62 0.19 0.00 0.00 0.00 0.00 23.12 18.69 1b2i s ALA 32 CO -0.01 -4.32 1.13 -3.38 0.00 0.00 0.00 175.76 169.18 1b2i s HIS 33 N 7.86 1.97 0.28 0.00 -3.43 -1.26 -5.08 115.29 115.63 1b2i s HIS 33 Ca 0.61 0.79 -0.05 0.00 -0.80 0.00 0.00 55.06 55.61 1b2i s HIS 33 Cb -0.01 -3.41 0.07 0.00 -1.43 0.00 0.00 32.58 27.80 1b2i s HIS 33 CO 0.04 -2.83 0.32 0.41 -2.00 0.00 0.00 174.74 170.69 1b2i n GLY 34 N -1.74 -1.71 3.09 -1.38 0.00 -1.26 -4.67 105.19 97.51 1b2i n GLY 34 Ca 0.08 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.71 -2.84 -4.76 1.61 4.02 -1.26 -5.02 117.16 106.19 1b2i n TYR 36 Ca 0.04 1.07 -0.33 0.00 -0.01 0.00 0.00 57.90 58.67 1b2i n TYR 36 Cb 0.15 -4.10 -0.14 0.00 -0.02 0.00 0.00 39.34 35.22 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 -3.09 3.05 0.64 -0.72 1.01 -1.26 -4.77 121.20 116.06 1b2i s ILE 37 Ca 0.11 -0.66 0.24 0.00 0.00 0.00 0.00 60.65 60.34 1b2i s ILE 37 Cb -0.01 -2.28 0.28 0.00 0.01 0.00 0.00 42.46 40.46 1b2i s ILE 37 CO 0.74 0.52 1.71 -0.65 0.00 0.00 0.00 174.94 177.27 1b2i h PRO 38 N 6.73 0.00 -0.03 2.79 0.11 -1.81 -1.15 132.00 138.63 1b2i h PRO 38 Ca -0.26 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.86 1b2i h PRO 38 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1b2i h PRO 38 CO 0.56 0.00 0.09 0.77 -0.21 0.00 0.00 178.00 179.20 1b2i h SER 39 N 0.00 0.00 -0.07 -2.05 0.02 -1.94 -0.16 113.55 109.36 1b2i h SER 39 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1b2i h SER 39 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1b2i h SER 39 CO -0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 1b2i n LYS 40 N -3.34 1.34 -3.83 3.45 5.02 -0.43 -4.88 118.16 115.49 1b2i n LYS 40 Ca -0.02 -1.52 -0.30 0.00 -2.02 0.00 0.00 58.31 54.46 1b2i n LYS 40 Cb 0.17 -1.31 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.27 2.04 -1.68 2.13 0.40 -0.07 -4.92 117.98 114.62 1b2i s PHE 41 Ca 0.20 -1.74 0.18 0.00 -0.60 0.00 0.00 56.93 54.97 1b2i s PHE 41 Cb 0.13 -1.71 1.01 0.00 0.51 0.00 0.00 43.02 42.97 1b2i s PHE 41 CO 0.20 -0.81 1.54 -0.35 0.70 0.00 0.00 175.22 176.50 1b2i n PRO 42 N 4.76 0.40 -1.19 0.24 -0.04 -1.26 -4.83 135.00 133.08 1b2i n PRO 42 Ca -0.05 0.07 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 1b2i n PRO 42 Cb 0.43 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.56 1b2i n PRO 42 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1b2i s ASN 43 N -2.32 2.92 0.00 3.54 3.84 -1.26 -4.94 114.94 116.71 1b2i s ASN 43 Ca 0.22 1.28 0.12 0.00 0.21 0.00 0.00 52.86 54.69 1b2i s ASN 43 Cb 0.13 -1.95 0.38 0.00 -0.55 0.00 0.00 41.25 39.25 1b2i s ASN 43 CO 0.25 -2.96 1.30 2.29 -2.79 0.00 0.00 177.10 175.19 1b2i n LYS 44 N -4.07 1.70 0.00 0.43 0.00 -1.26 -4.64 118.16 110.31 1b2i n LYS 44 Ca 0.06 -1.08 0.00 0.00 -0.00 0.00 0.00 58.31 57.29 1b2i n LYS 44 Cb 0.57 -1.27 0.00 0.00 -0.00 0.00 0.00 35.03 34.33 1b2i n LYS 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1b2i n ASN 45 N 0.36 0.00 -4.67 -5.58 6.94 -1.26 -4.72 115.26 106.32 1b2i n ASN 45 Ca 0.11 0.00 -0.47 0.00 -0.02 0.00 0.00 54.58 54.20 1b2i n ASN 45 Cb 0.27 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.64 1b2i n ASN 45 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1b2i n LEU 46 N 0.00 3.20 0.00 -4.53 7.99 -1.26 -4.92 117.00 117.48 1b2i n LEU 46 Ca 0.00 1.04 0.00 0.00 -0.01 0.00 0.00 56.01 57.04 1b2i n LEU 46 Cb 0.00 -1.40 0.00 0.00 -0.11 0.00 0.00 43.42 41.91 1b2i n LEU 46 CO 0.00 -0.21 0.00 1.17 -1.51 0.00 0.00 177.39 176.84 1b2i n LYS 47 N 4.73 1.35 0.00 3.23 3.00 -1.26 -4.59 118.16 124.62 1b2i n LYS 47 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1b2i n LYS 47 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.32 1b2i n LYS 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1b2i n LYS 48 N 0.00 0.00 -0.32 1.64 4.01 -1.26 -3.57 118.16 118.65 1b2i n LYS 48 Ca 0.00 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.87 1b2i n LYS 48 Cb 0.00 0.00 0.21 0.00 -0.51 0.00 0.00 35.03 34.73 1b2i n LYS 48 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1b2i n ASN 49 N 0.00 3.47 -4.74 4.39 6.94 -1.26 -0.16 115.26 123.90 1b2i n ASN 49 Ca 0.00 -2.45 -0.41 0.00 -0.02 0.00 0.00 54.58 51.70 1b2i n ASN 49 Cb 0.00 -0.39 -0.04 0.00 -2.36 0.00 0.00 39.78 36.99 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 -1.82 3.63 1.06 -2.53 2.02 -1.26 -4.45 117.35 114.01 1b2i s TYR 50 Ca 0.33 1.63 -0.15 0.00 -0.37 0.00 0.00 57.07 58.51 1b2i s TYR 50 Cb 0.23 -3.24 0.13 0.00 -0.40 0.00 0.00 41.96 38.68 1b2i s TYR 50 CO 0.14 -0.47 0.44 0.00 -1.57 0.00 0.00 175.55 174.08 1b2i n ARG 52 N -2.79 0.92 -3.11 0.00 3.00 -0.01 -4.77 116.66 109.89 1b2i n ARG 52 Ca 0.04 -2.10 -0.24 0.00 -0.01 0.00 0.00 57.85 55.54 1b2i n ARG 52 Cb 0.57 2.45 -0.05 0.00 0.00 0.00 0.00 32.46 35.44 1b2i n ARG 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1b2i n ASN 53 N -1.52 2.78 0.03 0.55 4.13 -1.26 -0.41 115.26 119.56 1b2i n ASN 53 Ca -0.06 -3.34 -0.11 0.00 1.68 0.00 0.00 54.58 52.76 1b2i n ASN 53 Cb 0.53 -0.60 -0.06 0.00 -1.54 0.00 0.00 39.78 38.11 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 3.26 -0.07 -0.29 3.52 0.11 -1.95 -2.13 132.00 134.46 1b2i h PRO 54 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1b2i h PRO 54 Cb 0.71 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1b2i h PRO 54 CO 0.68 -0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 1b2i n ASP 55 N -5.17 2.80 -3.40 -2.05 5.75 -1.26 -4.99 116.55 108.23 1b2i n ASP 55 Ca -0.06 -1.90 -0.28 0.00 -0.01 0.00 0.00 54.79 52.54 1b2i n ASP 55 Cb 0.10 -0.18 0.02 0.00 -1.03 0.00 0.00 41.12 40.02 1b2i n ASP 55 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1b2i n ARG 56 N 1.07 -1.51 0.00 0.11 0.00 -0.80 -5.02 116.66 110.51 1b2i n ARG 56 Ca 0.18 0.95 0.00 0.00 -0.00 0.00 0.00 57.85 58.98 1b2i n ARG 56 Cb 0.51 -1.81 0.00 0.00 -0.00 0.00 0.00 32.46 31.15 1b2i n ARG 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1b2i n GLU 57 N -1.21 2.55 0.00 2.89 0.00 -1.26 -5.05 120.64 118.57 1b2i n GLU 57 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1b2i n GLU 57 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 1b2i n GLU 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1b2i n LEU 58 N 0.00 0.21 -4.42 -1.84 0.00 -1.26 -4.93 117.00 104.75 1b2i n LEU 58 Ca 0.00 0.53 -0.33 0.00 0.00 0.00 0.00 56.01 56.21 1b2i n LEU 58 Cb 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 43.42 42.82 1b2i n LEU 58 CO 0.00 -0.46 -0.45 -0.60 0.00 0.00 0.00 177.39 175.88 1b2i s ARG 59 N -1.17 2.92 0.29 1.96 3.52 -1.26 -4.15 118.95 121.06 1b2i s ARG 59 Ca 0.00 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 54.61 1b2i s ARG 59 Cb 0.00 -2.50 -0.13 0.00 -1.56 0.00 0.00 34.95 30.76 1b2i s ARG 59 CO 0.00 0.43 1.29 -0.35 -0.81 0.00 0.00 175.30 175.86 1b2i n PRO 61 N 2.89 1.97 -4.58 5.12 -0.04 -1.24 -4.44 135.00 134.68 1b2i n PRO 61 Ca -0.18 0.69 -0.30 0.00 -0.04 0.00 0.00 63.50 63.67 1b2i n PRO 61 Cb 0.52 -2.27 -0.08 0.00 -0.04 0.00 0.00 33.50 31.63 1b2i n PRO 61 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1b2i s TRP 62 N -0.69 2.06 0.26 0.54 1.48 0.45 -0.02 118.94 123.02 1b2i s TRP 62 Ca 0.61 -0.85 -0.21 0.00 -1.06 0.00 0.00 56.10 54.59 1b2i s TRP 62 Cb -0.62 -1.71 0.03 0.00 -1.16 0.00 0.00 33.47 30.00 1b2i s TRP 62 CO 0.57 0.20 0.69 0.00 -4.06 0.00 0.00 176.95 174.36 1b2i s PHE 64 N -3.89 2.96 0.41 0.00 0.08 -1.25 -1.18 117.98 115.12 1b2i s PHE 64 Ca 0.09 1.49 0.08 0.00 0.12 0.00 0.00 56.93 58.71 1b2i s PHE 64 Cb -0.05 -2.98 -0.01 0.00 -0.57 0.00 0.00 43.02 39.41 1b2i s PHE 64 CO 0.03 -1.26 0.42 0.95 -0.10 0.00 0.00 175.22 175.26 1b2i s THR 65 N -2.69 2.83 -1.23 0.64 -4.23 0.29 -0.28 115.64 110.98 1b2i s THR 65 Ca 0.62 -1.25 0.22 0.00 -1.18 0.00 0.00 61.69 60.10 1b2i s THR 65 Cb -0.16 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 70.95 1b2i s THR 65 CO 0.45 -0.01 1.71 0.35 -0.54 0.00 0.00 174.62 176.58 1b2i n THR 66 N -1.62 0.40 -3.29 3.99 -2.24 -0.58 -4.31 114.28 106.64 1b2i n THR 66 Ca 0.04 0.10 -0.38 0.00 -2.27 0.00 0.00 64.05 61.54 1b2i n THR 66 Cb 0.61 -0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.77 6.76 0.00 3.42 2.15 -1.26 -4.90 116.67 120.07 1b2i s ASP 67 Ca 0.16 0.91 0.16 0.00 0.43 0.00 0.00 52.55 54.21 1b2i s ASP 67 Cb 0.15 -2.31 0.97 0.00 -0.30 0.00 0.00 42.92 41.43 1b2i s ASP 67 CO 0.36 0.03 1.44 -0.81 -0.17 0.00 0.00 175.17 176.02 1b2i n PRO 68 N 3.42 0.72 -0.05 4.34 -0.04 -1.26 -3.13 135.00 139.00 1b2i n PRO 68 Ca -0.07 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1b2i n PRO 68 Cb 0.52 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 1b2i n PRO 68 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1b2i n ASN 69 N -0.85 2.90 -3.89 3.54 5.03 -1.26 -4.67 115.26 116.05 1b2i n ASN 69 Ca 0.12 -0.03 -0.43 0.00 0.87 0.00 0.00 54.58 55.12 1b2i n ASN 69 Cb 0.06 -0.17 0.00 0.00 -1.02 0.00 0.00 39.78 38.65 1b2i n ASN 69 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1b2i n LYS 70 N -2.87 3.59 0.00 3.52 3.00 -1.18 -4.82 118.16 119.40 1b2i n LYS 70 Ca -0.17 -3.52 0.00 0.00 -0.00 0.00 0.00 58.31 54.62 1b2i n LYS 70 Cb 0.67 -2.94 0.00 0.00 0.00 0.00 0.00 35.03 32.76 1b2i n LYS 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1b2i n ARG 71 N 4.01 0.00 -3.70 1.64 0.00 -1.25 -3.70 116.66 113.65 1b2i n ARG 71 Ca 0.40 0.68 -0.30 0.00 -0.00 0.00 0.00 57.85 58.62 1b2i n ARG 71 Cb 0.37 -1.42 -0.04 0.00 0.00 0.00 0.00 32.46 31.37 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 -2.67 3.48 -0.17 -0.14 1.48 -1.26 -0.54 118.94 119.12 1b2i s TRP 72 Ca 0.00 0.46 -0.28 0.00 -1.06 0.00 0.00 56.10 55.22 1b2i s TRP 72 Cb 0.00 -1.94 0.07 0.00 -1.16 0.00 0.00 33.47 30.45 1b2i s TRP 72 CO 0.00 0.43 0.73 -2.00 -4.06 0.00 0.00 176.95 172.05 1b2i s GLU 73 N -2.84 0.91 0.36 3.25 2.56 -0.33 -4.84 118.70 117.77 1b2i s GLU 73 Ca 0.40 0.62 -0.27 0.00 0.00 0.00 0.00 54.97 55.72 1b2i s GLU 73 Cb -0.12 0.44 -0.09 0.00 2.00 0.00 0.00 34.13 36.36 1b2i s GLU 73 CO 0.26 -0.20 1.24 -0.51 -0.56 0.00 0.00 175.26 175.49 1b2i s LEU 74 N -0.37 4.34 0.32 2.70 1.43 -1.26 -2.05 118.68 123.79 1b2i s LEU 74 Ca -0.05 2.54 -0.14 0.00 -1.03 0.00 0.00 54.13 55.45 1b2i s LEU 74 Cb -0.03 -3.79 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 1b2i s LEU 74 CO 0.05 -0.59 0.73 0.00 0.23 0.00 0.00 176.35 176.77 1b2i s ASP 76 N -2.33 6.51 -0.09 0.00 -1.08 -0.43 -4.56 116.67 114.69 1b2i s ASP 76 Ca 0.54 -2.17 -0.09 0.00 -0.52 0.00 0.00 52.55 50.31 1b2i s ASP 76 Cb -0.10 -2.26 -0.04 0.00 -1.46 0.00 0.00 42.92 39.06 1b2i s ASP 76 CO 0.18 -0.81 0.21 -0.63 0.52 0.00 0.00 175.17 174.65 1b2i s ILE 77 N 1.32 5.38 0.19 4.11 -1.09 -1.26 -4.89 121.20 124.96 1b2i s ILE 77 Ca 0.16 0.38 -0.32 0.00 -2.23 0.00 0.00 60.65 58.64 1b2i s ILE 77 Cb -0.16 -3.49 -0.11 0.00 -1.58 0.00 0.00 42.46 37.12 1b2i s ILE 77 CO -0.04 0.60 1.70 -2.16 -1.23 0.00 0.00 174.94 173.82 1b2i s PRO 78 N -1.00 4.14 0.35 2.79 0.04 -1.26 -4.87 135.00 135.18 1b2i s PRO 78 Ca 0.17 2.56 -0.27 0.00 0.04 0.00 0.00 61.00 63.50 1b2i s PRO 78 Cb -0.13 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 1b2i s PRO 78 CO 0.06 -0.73 1.12 0.50 0.04 0.00 0.00 177.00 177.99 1b2i s ARG 79 N 1.32 4.34 -1.23 4.56 6.06 -1.26 -1.94 118.95 130.80 1b2i s ARG 79 Ca 0.74 1.78 -0.18 0.00 -2.50 0.00 0.00 55.73 55.57 1b2i s ARG 79 Cb -0.48 -2.88 -0.01 0.00 0.06 0.00 0.00 34.95 31.64 1b2i s ARG 79 CO 0.32 -0.06 1.98 0.00 -2.50 0.00 0.00 175.30 175.04