#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 -7.74 -4.29 3.42 7.64 -1.26 -4.02 113.62 107.37 1b2i n SER -3 Ca 0.00 0.62 -0.31 0.00 1.01 0.00 0.00 58.87 60.19 1b2i n SER -3 Cb 0.00 -5.23 -0.09 0.00 -1.01 0.00 0.00 64.21 57.88 1b2i n SER -3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1b2i n GLU -2 N -0.19 -1.21 0.16 1.43 -0.58 -1.26 -3.91 120.64 115.07 1b2i n GLU -2 Ca 0.10 0.13 -0.07 0.00 -0.42 0.00 0.00 57.16 56.90 1b2i n GLU -2 Cb 0.39 -3.74 -0.03 0.00 -0.57 0.00 0.00 31.44 27.48 1b2i n GLU -2 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1b2i h GLU -1 N -1.75 -0.42 -6.27 3.49 4.11 -1.96 -3.31 114.58 108.46 1b2i h GLU -1 Ca -0.65 0.03 -0.60 0.00 0.07 0.00 0.00 59.36 58.21 1b2i h GLU -1 Cb 1.40 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.65 1b2i h GLU -1 CO 0.71 -0.28 -0.62 0.00 0.07 0.00 0.00 179.01 178.89 1b2i s MET 2 N -2.92 0.95 0.00 0.00 -1.94 -0.90 -4.66 119.30 109.83 1b2i s MET 2 Ca 0.29 -1.42 0.20 0.00 -1.71 0.00 0.00 55.69 53.05 1b2i s MET 2 Cb -0.10 -0.22 0.96 0.00 2.01 0.00 0.00 34.83 37.49 1b2i s MET 2 CO 0.21 -0.07 1.61 0.72 -0.01 0.00 0.00 175.02 177.48 1b2i n HIS 3 N -0.12 0.00 0.00 -0.03 8.25 -1.26 -0.42 115.22 121.64 1b2i n HIS 3 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1b2i n HIS 3 Cb 0.62 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1b2i n HIS 3 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b2i n GLY 4 N 0.39 -0.00 0.13 -1.41 0.00 -1.26 -4.89 105.19 98.15 1b2i n GLY 4 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 1.93 0.00 1.61 3.41 -1.26 -4.54 113.62 114.77 1b2i n SER 5 Ca 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1b2i n SER 5 Cb 0.00 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 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 1.39 0.71 0.39 5.00 0.00 -1.26 -3.52 105.19 107.89 1b2i n GLY 6 Ca -0.45 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 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 4.06 -0.15 -0.00 1.61 4.22 -1.91 0.57 114.58 122.97 1b2i h GLU 7 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1b2i h GLU 7 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1b2i h GLU 7 CO 0.00 -0.10 -0.47 -1.71 -2.18 0.00 0.00 179.01 174.55 1b2i n ASN 8 N -5.40 0.72 -4.68 1.04 5.15 -1.26 -4.66 115.26 106.17 1b2i n ASN 8 Ca 0.03 -0.51 -0.42 0.00 -0.60 0.00 0.00 54.58 53.08 1b2i n ASN 8 Cb 0.35 0.28 -0.03 0.00 -0.53 0.00 0.00 39.78 39.85 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 -2.85 2.22 -0.43 1.20 6.14 0.19 -4.81 117.35 119.02 1b2i s TYR 9 Ca 0.15 0.23 0.05 0.00 0.64 0.00 0.00 57.07 58.14 1b2i s TYR 9 Cb 0.18 -3.97 0.31 0.00 0.42 0.00 0.00 41.96 38.89 1b2i s TYR 9 CO 0.66 -3.99 1.16 -0.40 0.64 0.00 0.00 175.55 173.62 1b2i n ASP 10 N 6.12 -2.11 0.00 4.32 5.68 -1.26 -4.18 116.55 125.13 1b2i n ASP 10 Ca 0.16 -3.12 0.00 0.00 -0.50 0.00 0.00 54.79 51.34 1b2i n ASP 10 Cb 0.41 1.67 0.00 0.00 -1.14 0.00 0.00 41.12 42.07 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 0.63 0.24 0.00 6.12 0.00 -1.25 -4.79 105.19 106.15 1b2i n GLY 11 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -3.68 1.61 4.76 -1.25 -4.92 118.16 114.67 1b2i n LYS 12 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 1b2i n LYS 12 Cb 0.00 -0.07 -0.06 0.00 -1.84 0.00 0.00 35.03 33.06 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 0.00 5.27 -0.09 -0.18 1.09 -1.26 -5.00 121.20 121.03 1b2i s ILE 13 Ca 0.00 0.53 0.25 0.00 -1.10 0.00 0.00 60.65 60.33 1b2i s ILE 13 Cb 0.00 -3.56 0.46 0.00 -1.06 0.00 0.00 42.46 38.30 1b2i s ILE 13 CO 0.00 0.59 1.15 -0.24 -0.10 0.00 0.00 174.94 176.34 1b2i n SER 14 N 1.94 1.22 -4.44 3.58 2.88 -1.26 -3.36 113.62 114.18 1b2i n SER 14 Ca -0.17 -2.03 -0.36 0.00 -1.33 0.00 0.00 58.87 54.99 1b2i n SER 14 Cb 0.54 -0.36 -0.13 0.00 -0.75 0.00 0.00 64.21 63.51 1b2i n SER 14 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1b2i s LYS 15 N -1.35 3.62 -0.05 -1.46 2.36 -1.26 0.26 119.74 121.85 1b2i s LYS 15 Ca 0.32 -0.51 -0.30 0.00 -2.55 0.00 0.00 55.97 52.93 1b2i s LYS 15 Cb 0.37 -3.18 -0.03 0.00 -1.05 0.00 0.00 37.83 33.94 1b2i s LYS 15 CO -0.12 -0.09 1.14 0.95 1.55 0.00 0.00 175.35 178.78 1b2i s THR 16 N 1.30 4.39 0.31 3.43 -4.23 0.84 -1.23 115.64 120.45 1b2i s THR 16 Ca 0.04 1.70 0.08 0.00 -1.18 0.00 0.00 61.69 62.34 1b2i s THR 16 Cb -0.15 -4.09 0.32 0.00 1.34 0.00 0.00 72.50 69.92 1b2i s THR 16 CO 0.02 0.02 1.67 0.00 -0.54 0.00 0.00 174.62 175.78 1b2i h MET 17 N 7.28 0.31 -0.17 3.99 -0.00 -0.83 -0.57 114.93 124.94 1b2i h MET 17 Ca -0.34 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.31 1b2i h MET 17 Cb 1.17 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 32.68 1b2i h MET 17 CO 0.86 0.20 -0.05 -1.13 -0.00 0.00 0.00 176.91 176.79 1b2i n SER 18 N -5.10 2.95 0.00 -0.10 3.41 -1.26 -4.98 113.62 108.54 1b2i n SER 18 Ca 0.27 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.63 1b2i n SER 18 Cb 0.82 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.98 0.19 0.00 5.00 0.00 -0.22 -5.17 105.19 104.00 1b2i n GLY 19 Ca 0.21 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -4.89 0.99 4.77 -1.25 -4.77 117.00 111.84 1b2i n LEU 20 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 1b2i n LEU 20 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1b2i n LEU 20 CO 0.00 -0.36 -0.16 -0.70 -1.33 0.00 0.00 177.39 174.83 1b2i s GLU 21 N -0.70 3.31 0.35 3.23 2.56 -1.26 -0.11 118.70 126.07 1b2i s GLU 21 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 54.97 54.26 1b2i s GLU 21 Cb 0.00 -2.94 -0.10 0.00 2.00 0.00 0.00 34.13 33.09 1b2i s GLU 21 CO 0.00 0.58 0.80 0.00 -0.56 0.00 0.00 175.26 176.07 1b2i s GLN 23 N -3.02 3.71 0.60 0.00 -0.44 0.32 -4.83 119.66 116.00 1b2i s GLN 23 Ca 0.56 0.12 -0.19 0.00 -2.50 0.00 0.00 55.36 53.35 1b2i s GLN 23 Cb -0.10 -3.09 -0.03 0.00 -1.64 0.00 0.00 33.01 28.15 1b2i s GLN 23 CO 0.16 0.64 1.25 0.00 0.50 0.00 0.00 175.29 177.84 1b2i s ALA 24 N -1.26 2.52 -1.52 1.58 0.00 -1.26 -4.34 121.76 117.48 1b2i s ALA 24 Ca 0.27 1.10 0.22 0.00 0.00 0.00 0.00 51.96 53.56 1b2i s ALA 24 Cb -0.14 -3.49 1.16 0.00 0.00 0.00 0.00 23.12 20.64 1b2i s ALA 24 CO 0.15 -1.31 1.72 0.91 0.00 0.00 0.00 175.76 177.23 1b2i n TRP 25 N -1.63 0.00 0.00 0.00 7.02 0.37 -4.68 117.44 118.52 1b2i n TRP 25 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 1b2i n TRP 25 Cb 0.49 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 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 -1.24 0.00 -3.66 -0.99 8.00 -1.26 -4.09 116.55 113.31 1b2i n ASP 26 Ca 0.12 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.44 1b2i n ASP 26 Cb 0.16 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.17 0.86 0.10 -2.24 0.15 -1.26 -4.77 113.70 105.37 1b2i s SER 27 Ca 0.00 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1b2i s SER 27 Cb 0.00 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1b2i s SER 27 CO 0.00 -0.25 0.00 0.00 1.20 0.00 0.00 173.24 174.19 1b2i n GLN 28 N 5.32 0.00 -3.63 5.44 0.00 -1.26 -5.08 117.38 118.18 1b2i n GLN 28 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 57.00 56.96 1b2i n GLN 28 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.73 1b2i n GLN 28 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1b2i s SER 29 N -3.26 -0.09 0.35 2.61 0.01 -1.26 -4.77 113.70 107.29 1b2i s SER 29 Ca 0.00 -0.13 0.26 0.00 1.31 0.00 0.00 55.95 57.39 1b2i s SER 29 Cb 0.00 0.19 1.21 0.00 0.21 0.00 0.00 66.02 67.63 1b2i s SER 29 CO 0.00 -0.35 1.79 -0.65 0.41 0.00 0.00 173.24 174.44 1b2i h PRO 30 N 2.00 0.00 -2.49 12.44 0.11 -1.85 -3.46 132.00 138.75 1b2i h PRO 30 Ca -0.26 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.95 1b2i h PRO 30 Cb 1.20 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 1b2i h PRO 30 CO 0.27 0.00 0.42 -1.58 -0.21 0.00 0.00 178.00 176.90 1b2i s HIS 31 N -3.51 -0.32 -1.23 0.65 2.46 -1.26 -5.06 115.29 107.03 1b2i s HIS 31 Ca 0.01 0.10 -0.21 0.00 0.47 0.00 0.00 55.06 55.44 1b2i s HIS 31 Cb 0.09 0.58 -0.03 0.00 -0.13 0.00 0.00 32.58 33.09 1b2i s HIS 31 CO 0.35 -0.72 1.86 0.00 -2.47 0.00 0.00 174.74 173.76 1b2i n ALA 32 N -0.34 2.54 -1.14 1.58 0.00 -1.26 -4.70 120.51 117.19 1b2i n ALA 32 Ca -0.09 -3.35 -0.29 0.00 0.00 0.00 0.00 53.44 49.71 1b2i n ALA 32 Cb 0.62 -3.53 0.20 0.00 0.00 0.00 0.00 19.45 16.74 1b2i n ALA 32 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1b2i s HIS 33 N 8.31 1.58 0.09 0.00 -3.43 -1.26 -5.07 115.29 115.50 1b2i s HIS 33 Ca 0.63 0.82 -0.01 0.00 -0.80 0.00 0.00 55.06 55.69 1b2i s HIS 33 Cb 0.02 -3.33 0.02 0.00 -1.43 0.00 0.00 32.58 27.86 1b2i s HIS 33 CO 0.11 -3.25 0.12 0.41 -2.00 0.00 0.00 174.74 170.13 1b2i n GLY 34 N -1.03 -0.97 3.05 -1.38 0.00 -1.26 -4.66 105.19 98.94 1b2i n GLY 34 Ca 0.07 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.11 -2.00 -3.56 1.61 4.01 -1.26 -5.00 117.16 108.85 1b2i n TYR 36 Ca 0.02 0.78 -0.37 0.00 -0.16 0.00 0.00 57.90 58.16 1b2i n TYR 36 Cb 0.05 -4.30 -0.09 0.00 -0.31 0.00 0.00 39.34 34.70 1b2i n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1b2i s ILE 37 N -3.32 5.30 0.60 -0.72 1.01 -1.26 -4.78 121.20 118.02 1b2i s ILE 37 Ca 0.19 0.37 0.29 0.00 0.00 0.00 0.00 60.65 61.49 1b2i s ILE 37 Cb -0.02 -3.58 0.39 0.00 0.01 0.00 0.00 42.46 39.25 1b2i s ILE 37 CO 0.63 0.31 1.76 -0.65 0.00 0.00 0.00 174.94 176.99 1b2i h PRO 38 N 7.50 0.00 0.00 2.79 0.11 -1.90 -1.06 132.00 139.44 1b2i h PRO 38 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1b2i h PRO 38 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1b2i h PRO 38 CO 0.67 0.00 0.05 0.77 -0.21 0.00 0.00 178.00 179.29 1b2i h SER 39 N 0.00 0.00 -0.45 -2.05 0.02 -1.93 -0.17 113.55 108.97 1b2i h SER 39 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1b2i h SER 39 Cb 1.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.13 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 -2.93 2.57 -4.02 3.45 5.02 -0.40 -4.90 118.16 116.95 1b2i n LYS 40 Ca -0.03 -2.22 -0.31 0.00 -2.02 0.00 0.00 58.31 53.73 1b2i n LYS 40 Cb 0.11 -1.40 -0.15 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.07 2.83 -1.73 2.13 0.40 -0.08 -4.91 117.98 115.55 1b2i s PHE 41 Ca 0.33 -1.99 0.23 0.00 -0.60 0.00 0.00 56.93 54.91 1b2i s PHE 41 Cb 0.18 -1.77 1.30 0.00 0.51 0.00 0.00 43.02 43.24 1b2i s PHE 41 CO 0.24 -0.82 1.77 -0.35 0.70 0.00 0.00 175.22 176.76 1b2i n PRO 42 N 4.56 0.55 -1.53 0.24 -0.04 -1.26 -4.83 135.00 132.68 1b2i n PRO 42 Ca -0.14 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.06 1b2i n PRO 42 Cb 0.44 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.58 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 -2.27 2.71 0.06 3.54 3.84 -1.26 -4.99 114.94 116.57 1b2i s ASN 43 Ca 0.29 0.68 0.23 0.00 0.21 0.00 0.00 52.86 54.27 1b2i s ASN 43 Cb 0.16 -1.01 0.18 0.00 -0.55 0.00 0.00 41.25 40.03 1b2i s ASN 43 CO 0.31 -3.02 1.15 2.29 -2.79 0.00 0.00 177.10 175.04 1b2i n LYS 44 N -4.03 0.25 0.00 0.43 2.85 -1.26 -4.83 118.16 111.57 1b2i n LYS 44 Ca 0.11 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 1b2i n LYS 44 Cb 0.59 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 1b2i n LYS 44 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1b2i n ASN 45 N -1.94 0.00 -4.68 -5.58 6.94 -1.26 -4.54 115.26 104.20 1b2i n ASN 45 Ca 0.03 0.00 -0.46 0.00 -0.02 0.00 0.00 54.58 54.13 1b2i n ASN 45 Cb 0.42 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.80 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 3.60 0.00 -4.53 7.99 -1.26 -4.83 117.00 117.97 1b2i n LEU 46 Ca 0.00 0.98 0.00 0.00 -0.01 0.00 0.00 56.01 56.98 1b2i n LEU 46 Cb 0.00 -1.43 0.00 0.00 -0.11 0.00 0.00 43.42 41.88 1b2i n LEU 46 CO 0.00 -0.02 0.00 1.17 -1.51 0.00 0.00 177.39 177.03 1b2i n LYS 47 N 6.11 3.28 0.00 3.23 3.00 -1.26 -4.87 118.16 127.65 1b2i n LYS 47 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1b2i n LYS 47 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.35 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 -0.27 1.64 5.02 -1.26 -4.27 118.16 119.02 1b2i n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1b2i n LYS 48 Cb 0.00 -0.80 0.01 0.00 -0.02 0.00 0.00 35.03 34.21 1b2i n LYS 48 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1b2i n ASN 49 N -0.33 0.17 -4.79 4.39 6.94 -1.26 -0.48 115.26 119.90 1b2i n ASN 49 Ca 0.00 -1.67 -0.38 0.00 -0.02 0.00 0.00 54.58 52.51 1b2i n ASN 49 Cb 0.00 -0.13 -0.06 0.00 -2.36 0.00 0.00 39.78 37.23 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 -0.17 3.79 0.95 -2.53 2.02 -1.26 -4.54 117.35 115.61 1b2i s TYR 50 Ca 0.01 1.52 -0.13 0.00 -0.37 0.00 0.00 57.07 58.11 1b2i s TYR 50 Cb 0.01 -2.70 0.03 0.00 -0.40 0.00 0.00 41.96 38.91 1b2i s TYR 50 CO 0.00 0.44 0.39 0.00 -1.57 0.00 0.00 175.55 174.81 1b2i s ARG 52 N -3.60 1.82 -0.57 0.00 1.81 0.35 -3.97 118.95 114.78 1b2i s ARG 52 Ca 0.57 -1.53 0.05 0.00 -1.72 0.00 0.00 55.73 53.10 1b2i s ARG 52 Cb -0.21 0.48 0.20 0.00 -0.45 0.00 0.00 34.95 34.96 1b2i s ARG 52 CO 0.67 -0.77 0.51 0.09 -0.68 0.00 0.00 175.30 175.13 1b2i n ASN 53 N -1.02 1.85 -0.01 0.23 4.13 -1.26 -0.22 115.26 118.96 1b2i n ASN 53 Ca -0.01 -2.97 -0.17 0.00 1.68 0.00 0.00 54.58 53.11 1b2i n ASN 53 Cb 0.62 -0.67 -0.10 0.00 -1.54 0.00 0.00 39.78 38.09 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 4.98 0.45 0.00 3.52 0.11 -1.94 -3.27 132.00 135.85 1b2i h PRO 54 Ca 0.18 -0.42 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1b2i h PRO 54 Cb 0.79 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1b2i h PRO 54 CO 0.62 1.07 -0.67 -0.40 -0.21 0.00 0.00 178.00 178.41 1b2i n ASP 55 N -4.24 0.62 -3.37 -2.05 5.75 -1.26 -4.99 116.55 107.02 1b2i n ASP 55 Ca -0.09 -0.38 -0.15 0.00 -0.01 0.00 0.00 54.79 54.15 1b2i n ASP 55 Cb 0.64 0.46 0.02 0.00 -1.03 0.00 0.00 41.12 41.21 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 -1.58 -1.51 0.00 0.11 0.00 -1.23 -5.05 116.66 107.40 1b2i n ARG 56 Ca 0.05 0.99 0.00 0.00 -0.00 0.00 0.00 57.85 58.89 1b2i n ARG 56 Cb 0.35 -4.80 0.00 0.00 -0.00 0.00 0.00 32.46 28.01 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 -2.80 0.32 0.00 2.89 0.00 -1.26 -5.05 120.64 114.75 1b2i n GLU 57 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.07 1b2i n GLU 57 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.02 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 0.08 -4.74 -1.84 0.00 -1.26 -4.88 117.00 104.36 1b2i n LEU 58 Ca 0.00 0.72 -0.36 0.00 0.00 0.00 0.00 56.01 56.37 1b2i n LEU 58 Cb 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 43.42 42.86 1b2i n LEU 58 CO 0.00 -0.47 -0.25 -0.60 0.00 0.00 0.00 177.39 176.06 1b2i s ARG 59 N -1.90 3.30 0.21 1.96 3.52 -1.26 -4.27 118.95 120.51 1b2i s ARG 59 Ca 0.00 -0.30 -0.31 0.00 -0.13 0.00 0.00 55.73 54.99 1b2i s ARG 59 Cb 0.00 -2.99 -0.10 0.00 -1.56 0.00 0.00 34.95 30.30 1b2i s ARG 59 CO 0.00 0.66 1.49 -1.25 -0.81 0.00 0.00 175.30 175.39 1b2i s PRO 61 N -0.73 4.25 0.44 5.12 0.04 -1.23 -4.74 135.00 138.15 1b2i s PRO 61 Ca 0.12 2.32 0.05 0.00 0.04 0.00 0.00 61.00 63.53 1b2i s PRO 61 Cb -0.12 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 1b2i s PRO 61 CO 0.03 -0.49 0.04 1.67 0.04 0.00 0.00 177.00 178.28 1b2i s TRP 62 N 0.47 2.33 0.21 0.56 1.48 0.70 0.02 118.94 124.71 1b2i s TRP 62 Ca 0.64 -0.74 -0.15 0.00 -1.06 0.00 0.00 56.10 54.78 1b2i s TRP 62 Cb -0.42 -1.76 0.01 0.00 -1.16 0.00 0.00 33.47 30.14 1b2i s TRP 62 CO 0.38 0.33 0.49 0.00 -4.06 0.00 0.00 176.95 174.10 1b2i s PHE 64 N -3.94 3.10 0.50 0.00 0.08 -1.26 -1.40 117.98 115.07 1b2i s PHE 64 Ca 0.15 1.55 0.09 0.00 0.12 0.00 0.00 56.93 58.83 1b2i s PHE 64 Cb -0.01 -2.98 0.05 0.00 -0.57 0.00 0.00 43.02 39.51 1b2i s PHE 64 CO 0.02 -0.75 0.66 0.95 -0.10 0.00 0.00 175.22 176.00 1b2i s THR 65 N -2.23 2.49 -0.76 0.64 -4.23 0.19 -0.52 115.64 111.22 1b2i s THR 65 Ca 0.64 -1.04 0.26 0.00 -1.18 0.00 0.00 61.69 60.38 1b2i s THR 65 Cb -0.14 -2.53 0.24 0.00 1.34 0.00 0.00 72.50 71.41 1b2i s THR 65 CO 0.26 0.00 1.72 0.35 -0.54 0.00 0.00 174.62 176.41 1b2i n THR 66 N -2.03 0.47 -2.85 3.99 -2.24 -1.18 -4.37 114.28 106.07 1b2i n THR 66 Ca 0.11 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 1b2i n THR 66 Cb 0.61 -0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 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 -4.26 7.43 0.00 3.42 -1.08 -1.26 -4.76 116.67 116.16 1b2i s ASP 67 Ca 0.10 1.71 0.19 0.00 -0.52 0.00 0.00 52.55 54.04 1b2i s ASP 67 Cb 0.13 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 40.21 1b2i s ASP 67 CO 0.61 0.06 1.55 -0.81 0.52 0.00 0.00 175.17 177.10 1b2i n PRO 68 N 2.27 0.61 -0.01 4.34 -0.04 -1.26 -3.18 135.00 137.74 1b2i n PRO 68 Ca -0.01 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.44 1b2i n PRO 68 Cb 0.49 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.00 4.13 -4.49 3.54 5.03 -1.26 -4.86 115.26 116.36 1b2i n ASN 69 Ca 0.15 -0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.16 1b2i n ASN 69 Cb 0.07 0.12 -0.02 0.00 -1.02 0.00 0.00 39.78 38.93 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 -2.02 3.68 0.00 3.52 2.47 -1.19 -4.88 119.74 121.31 1b2i s LYS 70 Ca -0.01 -1.70 0.00 0.00 -1.56 0.00 0.00 55.97 52.70 1b2i s LYS 70 Cb 0.00 -5.10 0.00 0.00 -1.46 0.00 0.00 37.83 31.28 1b2i s LYS 70 CO 0.03 -1.92 0.36 -2.13 0.16 0.00 0.00 175.35 171.84 1b2i n ARG 71 N 7.20 0.00 -3.61 4.03 0.63 -1.26 -3.77 116.66 119.88 1b2i n ARG 71 Ca 0.30 0.12 -0.20 0.00 -0.92 0.00 0.00 57.85 57.15 1b2i n ARG 71 Cb 0.49 -0.86 -0.01 0.00 0.45 0.00 0.00 32.46 32.52 1b2i n ARG 71 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 1b2i s TRP 72 N -0.71 3.08 -0.22 -0.14 1.48 -1.26 -0.63 118.94 120.53 1b2i s TRP 72 Ca 0.00 -0.22 -0.27 0.00 -1.06 0.00 0.00 56.10 54.54 1b2i s TRP 72 Cb 0.00 -1.90 0.12 0.00 -1.16 0.00 0.00 33.47 30.53 1b2i s TRP 72 CO 0.00 0.09 0.98 -2.00 -4.06 0.00 0.00 176.95 171.95 1b2i s GLU 73 N -4.10 0.60 0.11 3.25 2.12 -0.49 -4.84 118.70 115.34 1b2i s GLU 73 Ca 0.43 0.43 -0.31 0.00 0.36 0.00 0.00 54.97 55.88 1b2i s GLU 73 Cb -0.08 0.29 -0.07 0.00 0.26 0.00 0.00 34.13 34.52 1b2i s GLU 73 CO 0.30 -0.13 1.33 -0.51 -0.54 0.00 0.00 175.26 175.71 1b2i s LEU 74 N -0.34 4.38 0.66 2.70 1.43 -1.26 -1.86 118.68 124.39 1b2i s LEU 74 Ca 0.00 2.25 -0.09 0.00 -1.03 0.00 0.00 54.13 55.26 1b2i s LEU 74 Cb -0.03 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.62 1b2i s LEU 74 CO -0.02 -0.59 1.02 0.00 0.23 0.00 0.00 176.35 176.99 1b2i s ASP 76 N -4.36 4.79 -0.08 0.00 -1.08 -0.37 -4.53 116.67 111.04 1b2i s ASP 76 Ca 0.57 -0.82 -0.00 0.00 -0.52 0.00 0.00 52.55 51.77 1b2i s ASP 76 Cb -0.11 -1.78 -0.03 0.00 -1.46 0.00 0.00 42.92 39.54 1b2i s ASP 76 CO 0.48 -0.17 -0.04 -0.63 0.52 0.00 0.00 175.17 175.33 1b2i s ILE 77 N 1.41 3.94 0.15 4.11 -1.09 -1.26 -4.73 121.20 123.72 1b2i s ILE 77 Ca 0.01 -0.39 -0.32 0.00 -2.23 0.00 0.00 60.65 57.72 1b2i s ILE 77 Cb -0.17 -2.63 -0.12 0.00 -1.58 0.00 0.00 42.46 37.96 1b2i s ILE 77 CO -0.01 0.60 1.74 -0.81 -1.23 0.00 0.00 174.94 175.24 1b2i n PRO 78 N 2.25 2.61 -2.61 2.79 -0.04 -1.26 -4.83 135.00 133.91 1b2i n PRO 78 Ca -0.18 0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 63.80 1b2i n PRO 78 Cb 0.53 -2.79 -0.03 0.00 -0.04 0.00 0.00 33.50 31.17 1b2i n PRO 78 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1b2i s ARG 79 N 1.88 4.55 -0.66 0.54 3.52 -1.26 -2.11 118.95 125.40 1b2i s ARG 79 Ca 0.80 1.56 -0.27 0.00 -0.13 0.00 0.00 55.73 57.68 1b2i s ARG 79 Cb -0.55 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.45 1b2i s ARG 79 CO 0.37 -0.06 1.51 0.00 -0.81 0.00 0.00 175.30 176.30