#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 -0.59 -1.49 8.00 1.04 -1.26 -4.95 113.70 114.45 1b2i s SER -3 Ca 0.00 0.91 -0.09 0.00 0.48 0.00 0.00 55.95 57.25 1b2i s SER -3 Cb 0.00 1.36 0.06 0.00 0.10 0.00 0.00 66.02 67.54 1b2i s SER -3 CO 0.00 -0.14 0.74 -0.62 0.98 0.00 0.00 173.24 174.20 1b2i n GLU -2 N 4.09 -4.30 -0.12 4.02 -0.58 -1.26 -3.46 120.64 119.02 1b2i n GLU -2 Ca -0.17 0.50 -0.16 0.00 -0.42 0.00 0.00 57.16 56.91 1b2i n GLU -2 Cb 0.56 -5.09 -0.13 0.00 -0.57 0.00 0.00 31.44 26.22 1b2i n GLU -2 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1b2i n GLU -1 N -4.47 0.66 -4.85 3.49 2.13 -1.26 -1.05 120.64 115.30 1b2i n GLU -1 Ca -0.11 0.12 -0.33 0.00 0.66 0.00 0.00 57.16 57.50 1b2i n GLU -1 Cb 0.59 -1.52 -0.13 0.00 0.27 0.00 0.00 31.44 30.65 1b2i n GLU -1 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1b2i s MET 2 N -0.40 1.90 0.26 0.00 -1.94 -1.19 -4.79 119.30 113.13 1b2i s MET 2 Ca 0.04 -2.15 -0.03 0.00 -1.71 0.00 0.00 55.69 51.84 1b2i s MET 2 Cb -0.12 -0.39 0.32 0.00 2.01 0.00 0.00 34.83 36.65 1b2i s MET 2 CO 0.02 -0.53 1.80 0.45 -0.01 0.00 0.00 175.02 176.76 1b2i h HIS 3 N 1.86 0.97 0.00 -0.03 3.86 -1.94 0.57 115.15 120.44 1b2i h HIS 3 Ca -0.33 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1b2i h HIS 3 Cb 1.26 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1b2i h HIS 3 CO 1.57 0.79 0.00 0.41 0.86 0.00 0.00 177.93 181.56 1b2i n GLY 4 N -0.84 0.28 0.22 2.45 0.00 -1.26 -4.59 105.19 101.45 1b2i n GLY 4 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1b2i n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b2i h SER 5 N 0.00 0.79 0.00 1.61 4.64 -1.90 -3.41 113.55 115.28 1b2i h SER 5 Ca 0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1b2i h SER 5 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1b2i h SER 5 CO 0.00 1.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.63 1b2i n GLY 6 N 0.06 0.62 0.36 -0.77 0.00 -1.26 -3.03 105.19 101.17 1b2i n GLY 6 Ca -0.03 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 1.37 1.02 -0.82 1.61 4.57 -1.94 0.14 114.58 120.54 1b2i h GLU 7 Ca 0.00 -0.06 -0.24 0.00 -1.18 0.00 0.00 59.36 57.88 1b2i h GLU 7 Cb 0.00 -0.23 -0.14 0.00 -0.16 0.00 0.00 28.75 28.21 1b2i h GLU 7 CO 0.00 0.68 0.31 -1.71 -1.18 0.00 0.00 179.01 177.10 1b2i n ASN 8 N -4.44 4.42 -4.59 1.04 5.15 -1.26 -4.85 115.26 110.73 1b2i n ASN 8 Ca 0.10 -3.15 -0.42 0.00 -0.60 0.00 0.00 54.58 50.52 1b2i n ASN 8 Cb 0.08 -0.74 -0.06 0.00 -0.53 0.00 0.00 39.78 38.54 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 -2.76 3.16 -0.49 1.20 5.04 0.48 -4.69 117.35 119.28 1b2i s TYR 9 Ca 0.50 0.58 0.06 0.00 -2.44 0.00 0.00 57.07 55.77 1b2i s TYR 9 Cb 0.40 -3.24 0.23 0.00 0.35 0.00 0.00 41.96 39.70 1b2i s TYR 9 CO 0.12 -0.63 0.83 -0.40 -1.34 0.00 0.00 175.55 174.13 1b2i n ASP 10 N 6.21 -2.79 0.00 4.32 5.75 -0.21 -4.70 116.55 125.13 1b2i n ASP 10 Ca 0.02 -3.19 0.00 0.00 -0.01 0.00 0.00 54.79 51.60 1b2i n ASP 10 Cb 0.48 1.64 0.00 0.00 -1.03 0.00 0.00 41.12 42.22 1b2i n ASP 10 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b2i n GLY 11 N 1.87 1.46 0.00 6.12 0.00 -1.16 -4.58 105.19 108.90 1b2i n GLY 11 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 3.05 -2.46 1.61 4.76 -1.26 -4.93 118.16 118.93 1b2i n LYS 12 Ca 0.00 -0.11 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 1b2i n LYS 12 Cb 0.00 -0.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.66 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 -0.47 4.17 -0.31 -0.18 1.09 -1.26 -4.89 121.20 119.36 1b2i s ILE 13 Ca 0.00 1.55 0.18 0.00 -1.10 0.00 0.00 60.65 61.29 1b2i s ILE 13 Cb 0.00 -4.00 0.47 0.00 -1.06 0.00 0.00 42.46 37.87 1b2i s ILE 13 CO 0.00 0.10 1.16 -0.24 -0.10 0.00 0.00 174.94 175.86 1b2i n SER 14 N 4.10 0.66 -3.90 3.58 2.88 -1.26 -3.31 113.62 116.37 1b2i n SER 14 Ca 0.09 -2.31 -0.24 0.00 -1.33 0.00 0.00 58.87 55.08 1b2i n SER 14 Cb 0.47 -0.14 -0.17 0.00 -0.75 0.00 0.00 64.21 63.62 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 -2.53 1.17 0.15 -1.46 3.01 -1.26 -0.55 119.74 118.27 1b2i s LYS 15 Ca 0.24 -0.17 -0.29 0.00 -1.01 0.00 0.00 55.97 54.74 1b2i s LYS 15 Cb 0.39 -1.20 -0.07 0.00 -1.01 0.00 0.00 37.83 35.94 1b2i s LYS 15 CO -0.04 -0.16 0.91 0.95 0.51 0.00 0.00 175.35 177.52 1b2i s THR 16 N 1.31 4.36 0.51 2.17 -4.23 0.12 -3.62 115.64 116.25 1b2i s THR 16 Ca -0.04 1.98 0.32 0.00 -1.18 0.00 0.00 61.69 62.77 1b2i s THR 16 Cb -0.14 -4.28 0.52 0.00 1.34 0.00 0.00 72.50 69.94 1b2i s THR 16 CO -0.03 0.41 1.79 0.00 -0.54 0.00 0.00 174.62 176.25 1b2i h MET 17 N 4.93 0.09 -0.69 3.99 -0.00 -0.80 -1.87 114.93 120.58 1b2i h MET 17 Ca -0.44 -0.01 -0.31 0.00 -0.00 0.00 0.00 59.70 58.94 1b2i h MET 17 Cb 1.21 -0.02 -0.40 0.00 -0.00 0.00 0.00 31.60 32.38 1b2i h MET 17 CO 0.70 0.06 -1.13 -1.13 -0.00 0.00 0.00 176.91 175.41 1b2i n SER 18 N -4.30 1.75 0.00 -0.10 3.41 -1.26 -4.97 113.62 108.15 1b2i n SER 18 Ca 0.26 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1b2i n SER 18 Cb 1.18 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.39 -0.88 3.38 5.00 0.00 -0.70 -5.13 105.19 106.46 1b2i n GLY 19 Ca 0.10 0.56 -0.17 0.00 0.00 0.00 0.00 46.02 46.50 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 1.41 0.19 0.99 1.43 -1.26 -4.90 118.68 116.54 1b2i s LEU 20 Ca 0.00 -1.64 -0.30 0.00 -1.03 0.00 0.00 54.13 51.16 1b2i s LEU 20 Cb 0.00 0.98 -0.08 0.00 0.03 0.00 0.00 46.19 47.12 1b2i s LEU 20 CO 0.00 -1.18 1.22 -0.70 0.23 0.00 0.00 176.35 175.93 1b2i s GLU 21 N -3.25 4.47 0.48 1.70 2.56 -1.26 -0.71 118.70 122.69 1b2i s GLU 21 Ca 0.36 1.92 -0.22 0.00 0.00 0.00 0.00 54.97 57.04 1b2i s GLU 21 Cb 0.01 -3.23 -0.07 0.00 2.00 0.00 0.00 34.13 32.84 1b2i s GLU 21 CO 0.24 -0.13 1.12 0.00 -0.56 0.00 0.00 175.26 175.94 1b2i s GLN 23 N -2.94 4.16 0.76 0.00 -0.44 0.39 -4.83 119.66 116.75 1b2i s GLN 23 Ca 0.66 0.32 -0.15 0.00 -2.50 0.00 0.00 55.36 53.70 1b2i s GLN 23 Cb -0.25 -3.36 0.05 0.00 -1.64 0.00 0.00 33.01 27.82 1b2i s GLN 23 CO 0.29 0.37 1.23 0.00 0.50 0.00 0.00 175.29 177.68 1b2i s ALA 24 N -0.02 2.01 -1.81 1.58 0.00 -1.26 -4.16 121.76 118.11 1b2i s ALA 24 Ca 0.22 0.95 0.16 0.00 0.00 0.00 0.00 51.96 53.30 1b2i s ALA 24 Cb -0.15 -3.51 0.93 0.00 0.00 0.00 0.00 23.12 20.39 1b2i s ALA 24 CO 0.09 -2.07 1.42 0.91 0.00 0.00 0.00 175.76 176.12 1b2i n TRP 25 N -2.86 0.00 0.00 0.00 7.02 0.73 -4.67 117.44 117.66 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 0.50 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 1b2i n TRP 25 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1b2i n ASP 26 N -1.10 0.00 -3.81 -0.99 5.68 -1.26 -4.05 116.55 111.02 1b2i n ASP 26 Ca 0.11 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.18 1b2i n ASP 26 Cb 0.08 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 39.89 1b2i n ASP 26 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1b2i s SER 27 N -1.05 1.43 0.00 -1.12 0.15 -1.26 -4.76 113.70 107.09 1b2i s SER 27 Ca 0.00 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1b2i s SER 27 Cb 0.00 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1b2i s SER 27 CO 0.00 -0.15 0.00 0.00 1.20 0.00 0.00 173.24 174.29 1b2i n GLN 28 N 4.82 0.00 0.00 5.44 0.00 -1.26 -5.07 117.38 121.31 1b2i n GLN 28 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.87 1b2i n GLN 28 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 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 -1.28 0.00 0.17 2.61 3.41 -1.26 -4.75 113.62 112.53 1b2i n SER 29 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1b2i n SER 29 Cb 0.00 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.89 4.33 0.11 -1.83 -3.47 132.00 129.25 1b2i h PRO 30 Ca 0.00 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.30 1b2i h PRO 30 Cb 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 30.95 1b2i h PRO 30 CO 0.00 0.00 0.65 -1.58 -0.21 0.00 0.00 178.00 176.86 1b2i s HIS 31 N -3.33 -0.21 -1.20 0.65 2.46 -1.26 -5.06 115.29 107.34 1b2i s HIS 31 Ca 0.05 0.10 -0.20 0.00 0.47 0.00 0.00 55.06 55.48 1b2i s HIS 31 Cb 0.09 0.54 -0.03 0.00 -0.13 0.00 0.00 32.58 33.05 1b2i s HIS 31 CO 0.51 -0.41 1.89 0.00 -2.47 0.00 0.00 174.74 174.26 1b2i n ALA 32 N -0.22 2.94 -1.02 1.58 0.00 -1.26 -4.65 120.51 117.87 1b2i n ALA 32 Ca -0.05 -3.42 -0.30 0.00 0.00 0.00 0.00 53.44 49.67 1b2i n ALA 32 Cb 0.60 -3.55 0.23 0.00 0.00 0.00 0.00 19.45 16.73 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 7.22 0.80 1.02 0.00 -0.00 -1.26 -5.07 115.29 118.01 1b2i s HIS 33 Ca 0.60 0.64 -0.17 0.00 -0.00 0.00 0.00 55.06 56.12 1b2i s HIS 33 Cb 0.04 -3.35 0.24 0.00 -0.00 0.00 0.00 32.58 29.51 1b2i s HIS 33 CO 0.09 -3.76 1.34 0.20 -0.00 0.00 0.00 174.74 172.62 1b2i s GLY 34 N -3.68 1.81 -0.96 -1.38 0.00 -1.26 -4.56 107.32 97.28 1b2i s GLY 34 Ca 0.69 -1.32 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 1b2i s GLY 34 CO 0.57 -0.47 0.83 -1.72 0.00 0.00 0.00 173.10 172.31 1b2i n TYR 36 N -3.96 -2.04 -3.35 1.90 4.01 -1.26 -4.99 117.16 107.46 1b2i n TYR 36 Ca 0.17 0.77 -0.39 0.00 -0.16 0.00 0.00 57.90 58.29 1b2i n TYR 36 Cb 0.59 -4.23 -0.08 0.00 -0.31 0.00 0.00 39.34 35.31 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 -3.33 5.15 0.56 -0.72 1.01 -1.26 -4.83 121.20 117.79 1b2i s ILE 37 Ca 0.23 0.68 0.33 0.00 0.00 0.00 0.00 60.65 61.89 1b2i s ILE 37 Cb -0.03 -3.74 0.47 0.00 0.01 0.00 0.00 42.46 39.17 1b2i s ILE 37 CO 0.64 0.16 1.79 -0.65 0.00 0.00 0.00 174.94 176.88 1b2i h PRO 38 N 7.97 0.00 0.00 2.79 0.11 -1.93 -0.31 132.00 140.63 1b2i h PRO 38 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1b2i h PRO 38 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1b2i h PRO 38 CO 0.68 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.24 1b2i h SER 39 N 0.00 0.00 -0.32 -2.05 0.02 -1.93 -0.22 113.55 109.05 1b2i h SER 39 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1b2i h SER 39 Cb 1.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.47 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 -2.56 2.24 -4.03 3.45 5.02 -0.12 -4.87 118.16 117.29 1b2i n LYS 40 Ca -0.02 -2.06 -0.31 0.00 -2.02 0.00 0.00 58.31 53.90 1b2i n LYS 40 Cb 0.05 -1.42 -0.15 0.00 -0.02 0.00 0.00 35.03 33.49 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 -1.30 3.07 -0.93 2.13 0.08 -0.09 -4.91 117.98 116.02 1b2i s PHE 41 Ca 0.31 -2.23 0.14 0.00 0.12 0.00 0.00 56.93 55.27 1b2i s PHE 41 Cb 0.19 -1.92 0.58 0.00 -0.57 0.00 0.00 43.02 41.30 1b2i s PHE 41 CO 0.26 -0.86 1.43 -0.35 -0.10 0.00 0.00 175.22 175.60 1b2i n PRO 42 N 4.48 0.02 0.00 0.24 -0.04 -1.26 -4.68 135.00 133.76 1b2i n PRO 42 Ca -0.12 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1b2i n PRO 42 Cb 0.43 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.59 -0.62 -2.75 3.54 2.85 -1.26 -5.02 115.26 110.41 1b2i n ASN 43 Ca 0.03 -0.28 -0.03 0.00 -0.11 0.00 0.00 54.58 54.19 1b2i n ASN 43 Cb 0.15 0.00 0.07 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 -0.90 1.47 0.13 1.20 0.00 -1.26 -4.94 118.16 113.86 1b2i n LYS 44 Ca 0.00 -2.76 -0.05 0.00 -0.00 0.00 0.00 58.31 55.50 1b2i n LYS 44 Cb 0.00 -0.91 -0.03 0.00 -0.00 0.00 0.00 35.03 34.10 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 2.26 -0.30 -4.26 -5.58 -1.07 -1.95 -3.45 115.58 101.23 1b2i h ASN 45 Ca -0.22 0.01 -0.51 0.00 0.07 0.00 0.00 56.30 55.65 1b2i h ASN 45 Cb 1.26 0.08 0.12 0.00 -2.07 0.00 0.00 38.32 37.71 1b2i h ASN 45 CO 0.13 -0.08 0.34 -0.76 0.07 0.00 0.00 177.43 177.14 1b2i s LEU 46 N -6.86 3.20 0.00 6.14 2.01 -1.26 -4.95 118.68 116.96 1b2i s LEU 46 Ca -0.05 1.94 0.00 0.00 0.01 0.00 0.00 54.13 56.03 1b2i s LEU 46 Cb 0.01 -4.54 0.00 0.00 0.01 0.00 0.00 46.19 41.67 1b2i s LEU 46 CO 0.16 -1.90 0.00 1.17 1.01 0.00 0.00 176.35 176.78 1b2i n LYS 47 N -3.02 0.65 0.00 1.70 3.00 -1.26 -5.02 118.16 114.21 1b2i n LYS 47 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1b2i n LYS 47 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 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 -0.16 1.64 4.76 -1.26 -4.07 118.16 119.07 1b2i n LYS 48 Ca 0.00 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.49 1b2i n LYS 48 Cb 0.00 -0.01 0.13 0.00 -1.84 0.00 0.00 35.03 33.30 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 2.74 -4.71 4.39 6.94 -1.26 -0.19 115.26 123.17 1b2i n ASN 49 Ca 0.00 -2.39 -0.42 0.00 -0.02 0.00 0.00 54.58 51.75 1b2i n ASN 49 Cb 0.00 -0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 37.13 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 -1.68 3.59 0.80 -2.53 2.02 -1.26 -4.52 117.35 113.77 1b2i s TYR 50 Ca 0.21 1.57 -0.15 0.00 -0.37 0.00 0.00 57.07 58.34 1b2i s TYR 50 Cb 0.16 -3.22 0.01 0.00 -0.40 0.00 0.00 41.96 38.50 1b2i s TYR 50 CO 0.07 -0.44 0.67 0.00 -1.57 0.00 0.00 175.55 174.28 1b2i n ARG 52 N -1.62 0.28 -2.90 0.00 5.12 0.22 -4.71 116.66 113.05 1b2i n ARG 52 Ca 0.10 -1.03 -0.19 0.00 -1.93 0.00 0.00 57.85 54.80 1b2i n ARG 52 Cb 0.51 1.01 -0.01 0.00 -1.16 0.00 0.00 32.46 32.81 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 -1.87 2.36 -0.25 0.55 4.13 -1.26 -0.58 115.26 118.33 1b2i n ASN 53 Ca -0.00 -3.19 0.04 0.00 1.68 0.00 0.00 54.58 53.11 1b2i n ASN 53 Cb 0.22 -0.56 0.17 0.00 -1.54 0.00 0.00 39.78 38.07 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 2.93 0.48 -0.49 3.52 0.11 -1.97 -0.40 132.00 136.18 1b2i h PRO 54 Ca 0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1b2i h PRO 54 Cb 0.91 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1b2i h PRO 54 CO 0.62 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 1b2i n ASP 55 N -4.95 3.67 -3.35 -2.05 5.68 -1.26 -5.00 116.55 109.28 1b2i n ASP 55 Ca 0.13 -2.21 -0.16 0.00 -0.50 0.00 0.00 54.79 52.05 1b2i n ASP 55 Cb 0.37 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 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 0.79 -0.97 -0.84 0.11 0.00 -0.16 -4.96 116.66 110.63 1b2i n ARG 56 Ca 0.19 0.45 -0.29 0.00 -0.00 0.00 0.00 57.85 58.20 1b2i n ARG 56 Cb 0.62 -1.39 0.19 0.00 -0.00 0.00 0.00 32.46 31.88 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 -3.98 0.20 0.09 2.89 2.56 -1.26 -4.97 118.70 114.23 1b2i s GLU 57 Ca 0.01 0.92 -0.31 0.00 0.00 0.00 0.00 54.97 55.59 1b2i s GLU 57 Cb -0.01 -1.68 -0.15 0.00 2.00 0.00 0.00 34.13 34.30 1b2i s GLU 57 CO 0.57 -2.99 1.62 1.25 -0.56 0.00 0.00 175.26 175.16 1b2i h LEU 58 N -2.10 -0.83 -9.55 2.70 5.85 -1.93 -3.42 115.31 106.04 1b2i h LEU 58 Ca -0.54 0.06 -0.66 0.00 0.84 0.00 0.00 57.88 57.58 1b2i h LEU 58 Cb 1.31 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 42.50 1b2i h LEU 58 CO 0.51 -0.48 -0.55 -0.60 -0.34 0.00 0.00 178.44 176.98 1b2i s ARG 59 N -6.03 3.20 0.25 1.25 6.06 -1.26 -4.08 118.95 118.33 1b2i s ARG 59 Ca -0.17 -0.34 -0.30 0.00 -2.50 0.00 0.00 55.73 52.42 1b2i s ARG 59 Cb 0.05 -2.97 -0.10 0.00 0.06 0.00 0.00 34.95 31.99 1b2i s ARG 59 CO 0.63 0.70 1.49 -1.25 -2.50 0.00 0.00 175.30 174.37 1b2i s PRO 61 N -1.34 4.23 0.37 5.12 0.04 -1.17 -4.75 135.00 137.50 1b2i s PRO 61 Ca 0.19 2.37 0.06 0.00 0.04 0.00 0.00 61.00 63.65 1b2i s PRO 61 Cb -0.12 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.25 1b2i s PRO 61 CO 0.09 -0.49 0.03 1.67 0.04 0.00 0.00 177.00 178.34 1b2i s TRP 62 N 0.14 2.26 0.22 0.56 1.48 0.25 -0.15 118.94 123.70 1b2i s TRP 62 Ca 0.62 -0.80 -0.18 0.00 -1.06 0.00 0.00 56.10 54.68 1b2i s TRP 62 Cb -0.43 -1.54 0.02 0.00 -1.16 0.00 0.00 33.47 30.36 1b2i s TRP 62 CO 0.43 0.25 0.56 0.00 -4.06 0.00 0.00 176.95 174.13 1b2i s PHE 64 N -3.90 3.05 0.56 0.00 0.08 -1.26 -1.31 117.98 115.20 1b2i s PHE 64 Ca 0.11 1.49 0.06 0.00 0.12 0.00 0.00 56.93 58.71 1b2i s PHE 64 Cb -0.02 -2.97 0.05 0.00 -0.57 0.00 0.00 43.02 39.52 1b2i s PHE 64 CO 0.00 -1.09 0.49 0.95 -0.10 0.00 0.00 175.22 175.48 1b2i s THR 65 N -2.59 1.68 -0.77 0.64 -4.23 -0.19 -0.46 115.64 109.71 1b2i s THR 65 Ca 0.62 -1.39 0.26 0.00 -1.18 0.00 0.00 61.69 60.00 1b2i s THR 65 Cb -0.15 -2.07 0.20 0.00 1.34 0.00 0.00 72.50 71.81 1b2i s THR 65 CO 0.40 0.00 1.66 0.35 -0.54 0.00 0.00 174.62 176.49 1b2i n THR 66 N -1.89 0.39 -3.05 3.99 -2.24 -1.24 -4.42 114.28 105.82 1b2i n THR 66 Ca 0.02 -0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 1b2i n THR 66 Cb 0.64 -0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 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 -4.10 6.77 0.09 3.42 2.15 -1.26 -4.60 116.67 119.14 1b2i s ASP 67 Ca 0.10 0.93 0.06 0.00 0.43 0.00 0.00 52.55 54.08 1b2i s ASP 67 Cb 0.14 -2.38 0.33 0.00 -0.30 0.00 0.00 42.92 40.71 1b2i s ASP 67 CO 0.63 -0.31 1.18 -2.65 -0.17 0.00 0.00 175.17 173.85 1b2i n PRO 68 N 5.08 0.04 -0.11 4.34 -0.02 -1.26 -2.62 135.00 140.45 1b2i n PRO 68 Ca 0.00 0.54 -0.25 0.00 -2.02 0.00 0.00 63.50 61.77 1b2i n PRO 68 Cb 0.49 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 32.23 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 -1.71 1.95 -3.95 2.55 3.02 -1.26 -4.46 115.26 111.40 1b2i n ASN 69 Ca -0.00 0.27 -0.43 0.00 -0.03 0.00 0.00 54.58 54.39 1b2i n ASN 69 Cb 0.01 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1b2i n ASN 69 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1b2i n LYS 70 N -4.04 3.34 0.00 3.52 3.00 -1.08 -4.82 118.16 118.07 1b2i n LYS 70 Ca -0.44 -3.28 0.00 0.00 -0.00 0.00 0.00 58.31 54.59 1b2i n LYS 70 Cb 0.87 -3.09 0.00 0.00 0.00 0.00 0.00 35.03 32.81 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 5.06 0.00 -4.03 1.64 0.00 -1.25 -3.68 116.66 114.40 1b2i n ARG 71 Ca 0.44 0.48 -0.26 0.00 -0.00 0.00 0.00 57.85 58.50 1b2i n ARG 71 Cb 0.39 -1.20 -0.04 0.00 0.00 0.00 0.00 32.46 31.60 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 -1.80 3.28 -0.07 -0.14 1.48 -1.26 -1.03 118.94 119.41 1b2i s TRP 72 Ca 0.00 0.03 -0.30 0.00 -1.06 0.00 0.00 56.10 54.76 1b2i s TRP 72 Cb 0.00 -1.57 0.08 0.00 -1.16 0.00 0.00 33.47 30.83 1b2i s TRP 72 CO 0.00 0.52 0.75 -2.00 -4.06 0.00 0.00 176.95 172.16 1b2i s GLU 73 N -3.21 0.96 0.22 3.25 2.12 -0.43 -4.89 118.70 116.72 1b2i s GLU 73 Ca 0.32 0.20 -0.30 0.00 0.36 0.00 0.00 54.97 55.55 1b2i s GLU 73 Cb -0.10 0.45 -0.09 0.00 0.26 0.00 0.00 34.13 34.65 1b2i s GLU 73 CO 0.26 -0.31 1.21 -0.51 -0.54 0.00 0.00 175.26 175.36 1b2i s LEU 74 N -1.25 4.46 -0.15 2.70 1.43 -1.26 -1.64 118.68 122.97 1b2i s LEU 74 Ca -0.08 2.31 -0.07 0.00 -1.03 0.00 0.00 54.13 55.26 1b2i s LEU 74 Cb -0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1b2i s LEU 74 CO 0.07 -0.37 0.10 0.00 0.23 0.00 0.00 176.35 176.38 1b2i s ASP 76 N -0.41 6.18 -0.03 0.00 2.15 -1.24 -4.22 116.67 119.10 1b2i s ASP 76 Ca 0.11 -0.92 -0.21 0.00 0.43 0.00 0.00 52.55 51.95 1b2i s ASP 76 Cb -0.12 -2.43 -0.05 0.00 -0.30 0.00 0.00 42.92 40.03 1b2i s ASP 76 CO 0.02 -1.44 0.62 -0.63 -0.17 0.00 0.00 175.17 173.56 1b2i s ILE 77 N 4.13 4.96 -0.10 4.11 1.09 -1.26 -4.96 121.20 129.16 1b2i s ILE 77 Ca 0.23 1.29 -0.29 0.00 -1.10 0.00 0.00 60.65 60.78 1b2i s ILE 77 Cb -0.16 -3.96 -0.06 0.00 -1.06 0.00 0.00 42.46 37.22 1b2i s ILE 77 CO 0.11 0.36 1.82 -2.16 -0.10 0.00 0.00 174.94 174.97 1b2i s PRO 78 N 0.15 3.90 0.35 2.79 0.04 -1.26 -4.87 135.00 136.10 1b2i s PRO 78 Ca 0.33 2.13 -0.28 0.00 0.04 0.00 0.00 61.00 63.22 1b2i s PRO 78 Cb -0.18 -4.11 -0.10 0.00 0.04 0.00 0.00 34.50 30.15 1b2i s PRO 78 CO 0.17 -1.19 1.34 -0.98 0.04 0.00 0.00 177.00 176.38 1b2i s ARG 79 N 4.68 4.27 -0.91 4.56 3.03 -1.26 -3.18 118.95 130.14 1b2i s ARG 79 Ca 0.81 2.28 -0.24 0.00 2.03 0.00 0.00 55.73 60.61 1b2i s ARG 79 Cb -0.33 -3.02 -0.04 0.00 -1.03 0.00 0.00 34.95 30.53 1b2i s ARG 79 CO 0.34 -0.28 1.89 0.00 -1.13 0.00 0.00 175.30 176.12