#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 5.13 -0.04 3.42 0.15 -1.26 -4.98 113.70 116.12 1b2i s SER -3 Ca 0.00 1.63 0.18 0.00 0.70 0.00 0.00 55.95 58.46 1b2i s SER -3 Cb 0.00 -2.46 0.33 0.00 -1.71 0.00 0.00 66.02 62.18 1b2i s SER -3 CO 0.00 -1.61 1.14 -1.84 1.20 0.00 0.00 173.24 172.14 1b2i n GLU -2 N -3.23 0.35 -1.48 5.44 -0.00 -1.26 -5.02 120.64 115.44 1b2i n GLU -2 Ca 0.08 -2.05 -0.42 0.00 -0.00 0.00 0.00 57.16 54.76 1b2i n GLU -2 Cb 0.54 -0.47 -0.03 0.00 -0.00 0.00 0.00 31.44 31.48 1b2i n GLU -2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1b2i n GLU -1 N 0.00 2.20 -3.63 3.44 1.02 -1.26 -4.67 120.64 117.74 1b2i n GLU -1 Ca 0.08 -2.26 -0.04 0.00 -0.02 0.00 0.00 57.16 54.92 1b2i n GLU -1 Cb 0.95 -3.13 -0.07 0.00 -0.02 0.00 0.00 31.44 29.18 1b2i n GLU -1 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b2i s MET 2 N 1.61 1.27 0.10 0.00 -1.94 -0.32 -4.71 119.30 115.31 1b2i s MET 2 Ca -0.09 -1.31 -0.10 0.00 -1.71 0.00 0.00 55.69 52.48 1b2i s MET 2 Cb -0.05 -1.53 -0.15 0.00 2.01 0.00 0.00 34.83 35.11 1b2i s MET 2 CO -0.18 0.34 1.26 0.45 -0.01 0.00 0.00 175.02 176.89 1b2i h HIS 3 N 3.70 0.89 0.00 -0.03 3.86 -1.93 -0.98 115.15 120.66 1b2i h HIS 3 Ca -0.46 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 58.29 1b2i h HIS 3 Cb 1.19 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1b2i h HIS 3 CO 0.64 1.28 0.00 0.41 0.86 0.00 0.00 177.93 181.12 1b2i n GLY 4 N 0.93 -1.94 0.09 2.45 0.00 -1.26 -4.86 105.19 100.59 1b2i n GLY 4 Ca -0.09 0.55 -0.03 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.67 0.81 -3.60 1.61 3.41 -1.00 -4.15 113.62 109.03 1b2i n SER 5 Ca 0.00 0.37 -0.20 0.00 -0.26 0.00 0.00 58.87 58.78 1b2i n SER 5 Cb 0.00 0.16 0.06 0.00 -0.26 0.00 0.00 64.21 64.16 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 1.46 -0.34 0.26 5.00 0.00 -1.26 -2.93 105.19 107.38 1b2i n GLY 6 Ca -0.13 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.93 0.00 -0.00 1.61 4.57 -1.95 -1.90 114.58 114.98 1b2i h GLU 7 Ca -0.60 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 1b2i h GLU 7 Cb 1.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1b2i h GLU 7 CO 0.54 0.11 -0.85 -1.71 -1.18 0.00 0.00 179.01 175.92 1b2i n ASN 8 N -3.83 1.01 -4.67 1.04 5.15 -1.26 -4.73 115.26 107.97 1b2i n ASN 8 Ca -0.02 -0.92 -0.42 0.00 -0.60 0.00 0.00 54.58 52.61 1b2i n ASN 8 Cb 0.21 0.81 -0.03 0.00 -0.53 0.00 0.00 39.78 40.25 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 -2.94 2.42 -0.40 1.20 5.04 -0.71 -4.93 117.35 117.01 1b2i s TYR 9 Ca 0.10 0.51 0.09 0.00 -2.44 0.00 0.00 57.07 55.33 1b2i s TYR 9 Cb 0.17 -3.79 0.28 0.00 0.35 0.00 0.00 41.96 38.97 1b2i s TYR 9 CO 0.81 -3.12 0.68 -0.40 -1.34 0.00 0.00 175.55 172.18 1b2i n ASP 10 N 6.35 -0.29 0.00 4.32 5.75 -1.26 -4.69 116.55 126.74 1b2i n ASP 10 Ca 0.15 -2.95 0.00 0.00 -0.01 0.00 0.00 54.79 51.98 1b2i n ASP 10 Cb 0.43 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 1.05 0.91 0.00 6.12 0.00 -1.26 -5.02 105.19 106.98 1b2i n GLY 11 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 2.44 -2.47 1.61 4.76 -1.26 -4.94 118.16 118.30 1b2i n LYS 12 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1b2i n LYS 12 Cb 0.00 -0.23 -0.03 0.00 -1.84 0.00 0.00 35.03 32.93 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 -0.10 3.95 0.00 -0.18 1.09 -1.26 -4.78 121.20 119.91 1b2i s ILE 13 Ca 0.00 1.54 0.01 0.00 -1.10 0.00 0.00 60.65 61.10 1b2i s ILE 13 Cb 0.00 -3.99 0.02 0.00 -1.06 0.00 0.00 42.46 37.43 1b2i s ILE 13 CO 0.00 0.20 1.00 -0.24 -0.10 0.00 0.00 174.94 175.80 1b2i n SER 14 N 3.05 0.04 -4.65 3.58 2.88 -1.26 -1.76 113.62 115.50 1b2i n SER 14 Ca 0.05 -1.99 -0.37 0.00 -1.33 0.00 0.00 58.87 55.23 1b2i n SER 14 Cb 0.46 -0.20 -0.09 0.00 -0.75 0.00 0.00 64.21 63.63 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 0.00 4.07 0.17 -1.46 2.36 -1.26 -0.38 119.74 123.23 1b2i s LYS 15 Ca 0.01 -0.15 -0.30 0.00 -2.55 0.00 0.00 55.97 52.98 1b2i s LYS 15 Cb 0.01 -3.57 -0.08 0.00 -1.05 0.00 0.00 37.83 33.14 1b2i s LYS 15 CO -0.01 -0.03 1.33 0.95 1.55 0.00 0.00 175.35 179.14 1b2i s THR 16 N 1.32 3.28 0.25 3.43 -4.23 0.57 -0.37 115.64 119.89 1b2i s THR 16 Ca 0.11 1.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.53 1b2i s THR 16 Cb -0.14 -3.64 0.33 0.00 1.34 0.00 0.00 72.50 70.39 1b2i s THR 16 CO 0.07 0.12 1.60 0.00 -0.54 0.00 0.00 174.62 175.87 1b2i h MET 17 N 5.88 0.02 -0.45 3.99 -0.00 -0.75 -1.63 114.93 121.98 1b2i h MET 17 Ca -0.44 -0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 58.99 1b2i h MET 17 Cb 1.21 -0.00 -0.17 0.00 -0.00 0.00 0.00 31.60 32.64 1b2i h MET 17 CO 0.80 0.01 -0.13 -1.13 -0.00 0.00 0.00 176.91 176.47 1b2i n SER 18 N -5.49 3.19 0.00 -0.10 3.41 -1.26 -4.91 113.62 108.46 1b2i n SER 18 Ca 0.13 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.94 1b2i n SER 18 Cb 0.45 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.05 -0.64 3.41 5.00 0.00 -0.61 -5.17 105.19 106.12 1b2i n GLY 19 Ca 0.37 0.53 -0.21 0.00 0.00 0.00 0.00 46.02 46.71 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 1.86 0.19 0.99 1.02 -1.26 -4.87 118.68 116.61 1b2i s LEU 20 Ca 0.00 -1.55 -0.30 0.00 0.02 0.00 0.00 54.13 52.30 1b2i s LEU 20 Cb 0.00 -0.01 -0.08 0.00 0.02 0.00 0.00 46.19 46.12 1b2i s LEU 20 CO 0.00 -0.84 1.15 -0.70 0.02 0.00 0.00 176.35 175.98 1b2i s GLU 21 N -3.81 4.54 0.69 1.70 2.56 -1.26 -0.32 118.70 122.80 1b2i s GLU 21 Ca 0.32 1.81 -0.11 0.00 0.00 0.00 0.00 54.97 56.98 1b2i s GLU 21 Cb 0.05 -3.25 0.01 0.00 2.00 0.00 0.00 34.13 32.94 1b2i s GLU 21 CO 0.16 -0.01 1.06 0.00 -0.56 0.00 0.00 175.26 175.91 1b2i s GLN 23 N -4.88 4.01 0.78 0.00 -0.44 0.25 -4.78 119.66 114.60 1b2i s GLN 23 Ca 0.59 0.41 -0.14 0.00 -2.50 0.00 0.00 55.36 53.72 1b2i s GLN 23 Cb -0.15 -3.27 0.07 0.00 -1.64 0.00 0.00 33.01 28.02 1b2i s GLN 23 CO 0.52 0.58 1.20 0.00 0.50 0.00 0.00 175.29 178.10 1b2i s ALA 24 N -0.73 1.94 -1.80 1.58 0.00 -1.26 -4.31 121.76 117.17 1b2i s ALA 24 Ca 0.24 0.84 0.19 0.00 0.00 0.00 0.00 51.96 53.22 1b2i s ALA 24 Cb -0.16 -3.48 1.07 0.00 0.00 0.00 0.00 23.12 20.55 1b2i s ALA 24 CO 0.12 -2.15 1.54 0.91 0.00 0.00 0.00 175.76 176.19 1b2i n TRP 25 N -3.12 0.00 -0.01 0.00 7.02 0.11 -4.70 117.44 116.74 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 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.30 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 -3.86 -0.99 5.68 -1.26 -4.21 116.55 110.81 1b2i n ASP 26 Ca 0.12 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.17 1b2i n ASP 26 Cb 0.09 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 39.90 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 -1.00 1.73 0.00 -1.12 0.15 -1.26 -4.78 113.70 107.42 1b2i s SER 27 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1b2i s SER 27 Cb 0.00 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1b2i s SER 27 CO 0.00 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.31 1b2i n GLN 28 N 4.79 0.00 0.00 5.44 0.00 -1.26 -5.08 117.38 121.27 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 -1.15 0.00 0.18 2.61 3.41 -1.26 -4.78 113.62 112.63 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 0.44 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.73 4.33 0.11 -1.85 -3.48 132.00 129.38 1b2i h PRO 30 Ca 0.00 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.27 1b2i h PRO 30 Cb 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 30.92 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 -3.32 -0.25 -1.20 0.65 2.46 -1.26 -5.06 115.29 107.31 1b2i s HIS 31 Ca 0.06 0.26 -0.21 0.00 0.47 0.00 0.00 55.06 55.64 1b2i s HIS 31 Cb 0.09 0.50 -0.03 0.00 -0.13 0.00 0.00 32.58 33.01 1b2i s HIS 31 CO 0.55 -0.34 1.86 0.00 -2.47 0.00 0.00 174.74 174.34 1b2i s ALA 32 N -2.21 2.31 1.17 1.58 0.00 -1.26 -4.74 121.76 118.61 1b2i s ALA 32 Ca 0.05 -2.37 -0.18 0.00 0.00 0.00 0.00 51.96 49.46 1b2i s ALA 32 Cb -0.01 -4.66 0.27 0.00 0.00 0.00 0.00 23.12 18.73 1b2i s ALA 32 CO -0.05 -4.55 1.11 -3.38 0.00 0.00 0.00 175.76 168.90 1b2i s HIS 33 N 8.63 0.72 1.03 0.00 -3.43 -1.26 -5.07 115.29 115.91 1b2i s HIS 33 Ca 0.63 0.56 -0.17 0.00 -0.80 0.00 0.00 55.06 55.27 1b2i s HIS 33 Cb 0.00 -3.44 0.24 0.00 -1.43 0.00 0.00 32.58 27.95 1b2i s HIS 33 CO 0.10 -3.73 1.33 0.20 -2.00 0.00 0.00 174.74 170.64 1b2i s GLY 34 N -3.85 1.80 -0.60 -1.38 0.00 -1.26 -4.66 107.32 97.36 1b2i s GLY 34 Ca 0.70 -1.30 -0.02 0.00 0.00 0.00 0.00 44.72 44.10 1b2i s GLY 34 CO 0.56 -0.45 0.54 -1.72 0.00 0.00 0.00 173.10 172.03 1b2i n TYR 36 N -4.00 -1.85 -3.17 1.90 4.01 -1.26 -4.99 117.16 107.79 1b2i n TYR 36 Ca 0.17 0.68 -0.41 0.00 -0.16 0.00 0.00 57.90 58.18 1b2i n TYR 36 Cb 0.59 -3.43 -0.07 0.00 -0.31 0.00 0.00 39.34 36.12 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 -3.13 4.96 0.53 -0.72 1.01 -1.26 -4.85 121.20 117.74 1b2i s ILE 37 Ca 0.15 0.61 0.32 0.00 0.00 0.00 0.00 60.65 61.73 1b2i s ILE 37 Cb -0.02 -3.99 0.50 0.00 0.01 0.00 0.00 42.46 38.96 1b2i s ILE 37 CO 0.50 -0.19 1.85 -0.65 0.00 0.00 0.00 174.94 176.45 1b2i h PRO 38 N 8.34 0.04 0.00 2.79 0.11 -1.94 -0.04 132.00 141.30 1b2i h PRO 38 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1b2i h PRO 38 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1b2i h PRO 38 CO 0.79 0.02 0.00 0.43 -0.21 0.00 0.00 178.00 179.04 1b2i n SER 39 N -4.26 0.34 -0.74 -2.05 7.64 -1.26 -1.11 113.62 112.18 1b2i n SER 39 Ca 0.22 0.65 0.08 0.00 1.01 0.00 0.00 58.87 60.82 1b2i n SER 39 Cb 1.06 -0.70 0.13 0.00 -1.01 0.00 0.00 64.21 63.70 1b2i n SER 39 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b2i n LYS 40 N -1.95 1.95 -4.00 1.43 5.02 -0.03 -4.91 118.16 115.67 1b2i n LYS 40 Ca -0.00 -1.82 -0.31 0.00 -2.02 0.00 0.00 58.31 54.16 1b2i n LYS 40 Cb 0.05 -1.33 -0.16 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 -1.14 2.46 -1.42 2.13 0.08 -0.26 -4.92 117.98 114.90 1b2i s PHE 41 Ca 0.25 -1.64 0.22 0.00 0.12 0.00 0.00 56.93 55.88 1b2i s PHE 41 Cb 0.15 -1.65 1.10 0.00 -0.57 0.00 0.00 43.02 42.04 1b2i s PHE 41 CO 0.20 -0.75 1.71 -0.35 -0.10 0.00 0.00 175.22 175.93 1b2i n PRO 42 N 4.67 0.30 -1.43 0.24 -0.04 -1.26 -4.82 135.00 132.67 1b2i n PRO 42 Ca -0.15 0.08 -0.30 0.00 -0.04 0.00 0.00 63.50 63.09 1b2i n PRO 42 Cb 0.46 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.52 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 -2.58 4.28 0.00 3.54 3.84 -1.26 -4.95 114.94 117.81 1b2i s ASN 43 Ca 0.20 1.44 0.15 0.00 0.21 0.00 0.00 52.86 54.86 1b2i s ASN 43 Cb 0.15 -2.17 0.46 0.00 -0.55 0.00 0.00 41.25 39.14 1b2i s ASN 43 CO 0.34 -2.12 1.37 2.29 -2.79 0.00 0.00 177.10 176.19 1b2i n LYS 44 N -3.54 1.94 0.00 0.43 0.00 -1.26 -4.68 118.16 111.05 1b2i n LYS 44 Ca 0.07 -1.45 0.00 0.00 -0.00 0.00 0.00 58.31 56.93 1b2i n LYS 44 Cb 0.55 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 34.23 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 0.67 0.00 -4.80 -5.58 6.94 -1.26 -4.68 115.26 106.56 1b2i n ASN 45 Ca 0.15 0.69 -0.33 0.00 -0.02 0.00 0.00 54.58 55.07 1b2i n ASN 45 Cb 0.36 -0.19 0.01 0.00 -2.36 0.00 0.00 39.78 37.60 1b2i n ASN 45 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b2i s LEU 46 N -2.94 3.56 0.00 -4.53 2.01 -1.26 -4.92 118.68 110.60 1b2i s LEU 46 Ca 0.00 1.89 0.00 0.00 0.01 0.00 0.00 54.13 56.03 1b2i s LEU 46 Cb 0.00 -4.54 0.00 0.00 0.01 0.00 0.00 46.19 41.66 1b2i s LEU 46 CO 0.00 -1.17 0.00 1.17 1.01 0.00 0.00 176.35 177.36 1b2i n LYS 47 N -1.85 0.36 0.00 1.70 4.81 -1.26 -5.00 118.16 116.92 1b2i n LYS 47 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1b2i n LYS 47 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 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 -0.00 1.64 4.76 -1.26 -4.03 118.16 119.27 1b2i n LYS 48 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 1b2i n LYS 48 Cb 0.00 -0.05 -0.03 0.00 -1.84 0.00 0.00 35.03 33.11 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 0.44 -4.57 4.39 6.94 -1.26 0.09 115.26 121.29 1b2i n ASN 49 Ca 0.00 -0.59 -0.51 0.00 -0.02 0.00 0.00 54.58 53.46 1b2i n ASN 49 Cb 0.00 1.01 -0.05 0.00 -2.36 0.00 0.00 39.78 38.38 1b2i n ASN 49 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1b2i n TYR 50 N -1.16 1.24 -1.84 -2.53 4.01 -1.26 -4.74 117.16 110.88 1b2i n TYR 50 Ca 0.01 0.71 -0.38 0.00 -0.16 0.00 0.00 57.90 58.08 1b2i n TYR 50 Cb 0.09 -2.27 0.03 0.00 -0.31 0.00 0.00 39.34 36.88 1b2i n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b2i n ARG 52 N -0.82 0.25 -3.03 0.00 5.12 -0.40 -4.70 116.66 113.07 1b2i n ARG 52 Ca 0.09 -0.86 -0.15 0.00 -1.93 0.00 0.00 57.85 55.00 1b2i n ARG 52 Cb 0.45 0.66 0.01 0.00 -1.16 0.00 0.00 32.46 32.41 1b2i n ARG 52 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1b2i n ASN 53 N -2.52 -0.32 -0.00 0.55 2.85 -1.26 -0.20 115.26 114.35 1b2i n ASN 53 Ca 0.01 -3.21 0.21 0.00 -0.11 0.00 0.00 54.58 51.48 1b2i n ASN 53 Cb 0.16 0.25 0.71 0.00 1.24 0.00 0.00 39.78 42.13 1b2i n ASN 53 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1b2i h PRO 54 N 3.11 0.00 -0.20 1.20 0.11 -1.94 0.38 132.00 134.66 1b2i h PRO 54 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1b2i h PRO 54 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1b2i h PRO 54 CO 0.38 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.77 1b2i n ASP 55 N -4.27 3.39 -2.99 -2.05 5.68 -1.26 -5.01 116.55 110.04 1b2i n ASP 55 Ca 0.10 -2.93 -0.07 0.00 -0.50 0.00 0.00 54.79 51.40 1b2i n ASP 55 Cb 0.64 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 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 -0.65 -0.46 -0.68 0.11 1.85 0.13 -4.96 116.66 112.01 1b2i n ARG 56 Ca 0.19 0.07 -0.28 0.00 -1.00 0.00 0.00 57.85 56.83 1b2i n ARG 56 Cb 0.78 -0.41 0.24 0.00 -1.05 0.00 0.00 32.46 32.03 1b2i n ARG 56 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1b2i s GLU 57 N -3.24 -0.90 0.12 2.89 2.56 -1.26 -4.96 118.70 113.91 1b2i s GLU 57 Ca 0.02 0.66 -0.29 0.00 0.00 0.00 0.00 54.97 55.36 1b2i s GLU 57 Cb -0.01 -1.57 -0.08 0.00 2.00 0.00 0.00 34.13 34.47 1b2i s GLU 57 CO 0.22 -3.67 1.60 1.25 -0.56 0.00 0.00 175.26 174.11 1b2i h LEU 58 N -2.57 -1.08 -9.60 2.70 5.85 -1.94 -3.42 115.31 105.25 1b2i h LEU 58 Ca -0.60 0.13 -0.64 0.00 0.84 0.00 0.00 57.88 57.61 1b2i h LEU 58 Cb 1.34 0.42 -0.09 0.00 0.37 0.00 0.00 40.66 42.69 1b2i h LEU 58 CO 0.51 -0.44 -0.60 -0.60 -0.34 0.00 0.00 178.44 176.97 1b2i s ARG 59 N -5.96 2.90 0.39 1.25 6.06 -1.26 -2.36 118.95 119.96 1b2i s ARG 59 Ca -0.16 -0.65 -0.27 0.00 -2.50 0.00 0.00 55.73 52.15 1b2i s ARG 59 Cb 0.08 -2.74 -0.09 0.00 0.06 0.00 0.00 34.95 32.26 1b2i s ARG 59 CO 0.64 0.58 1.30 -1.25 -2.50 0.00 0.00 175.30 174.07 1b2i s PRO 61 N -2.21 4.05 0.44 5.12 0.04 -1.15 -4.78 135.00 136.50 1b2i s PRO 61 Ca 0.27 2.16 0.03 0.00 0.04 0.00 0.00 61.00 63.50 1b2i s PRO 61 Cb -0.12 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 1b2i s PRO 61 CO 0.20 -0.42 0.09 1.67 0.04 0.00 0.00 177.00 178.57 1b2i s TRP 62 N -1.24 1.83 0.23 0.56 1.48 0.72 -0.27 118.94 122.25 1b2i s TRP 62 Ca 0.55 -1.16 -0.22 0.00 -1.06 0.00 0.00 56.10 54.21 1b2i s TRP 62 Cb -0.38 -1.31 0.04 0.00 -1.16 0.00 0.00 33.47 30.66 1b2i s TRP 62 CO 0.49 -0.12 0.71 0.00 -4.06 0.00 0.00 176.95 173.98 1b2i s PHE 64 N -3.81 3.90 0.75 0.00 0.08 -1.26 -1.33 117.98 116.31 1b2i s PHE 64 Ca 0.08 1.88 -0.04 0.00 0.12 0.00 0.00 56.93 58.97 1b2i s PHE 64 Cb -0.04 -3.01 0.12 0.00 -0.57 0.00 0.00 43.02 39.52 1b2i s PHE 64 CO 0.01 0.31 1.04 0.95 -0.10 0.00 0.00 175.22 177.43 1b2i s THR 65 N -1.23 2.18 -0.90 0.64 -4.23 0.34 -0.58 115.64 111.86 1b2i s THR 65 Ca 0.43 -0.44 0.26 0.00 -1.18 0.00 0.00 61.69 60.76 1b2i s THR 65 Cb -0.26 -2.75 0.10 0.00 1.34 0.00 0.00 72.50 70.94 1b2i s THR 65 CO 0.32 0.00 1.57 0.35 -0.54 0.00 0.00 174.62 176.32 1b2i n THR 66 N -2.98 0.13 -2.63 3.99 -2.24 -1.22 -4.15 114.28 105.19 1b2i n THR 66 Ca 0.13 -0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.40 1b2i n THR 66 Cb 0.60 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 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 -3.40 7.17 0.00 3.42 2.15 -1.26 -4.71 116.67 120.03 1b2i s ASP 67 Ca 0.11 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.66 1b2i s ASP 67 Cb 0.17 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1b2i s ASP 67 CO 0.65 -0.53 0.54 -2.65 -0.17 0.00 0.00 175.17 173.01 1b2i n PRO 68 N 5.34 0.00 -0.04 4.34 -0.02 -1.26 -2.74 135.00 140.62 1b2i n PRO 68 Ca 0.10 0.10 -0.06 0.00 -2.02 0.00 0.00 63.50 61.61 1b2i n PRO 68 Cb 0.48 -1.52 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.04 2.36 -4.48 2.55 5.03 -1.26 -4.87 115.26 113.55 1b2i n ASN 69 Ca 0.00 0.01 -0.43 0.00 0.87 0.00 0.00 54.58 55.03 1b2i n ASN 69 Cb 0.02 -0.16 -0.03 0.00 -1.02 0.00 0.00 39.78 38.58 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 -2.15 3.33 0.00 3.52 2.47 -1.11 -4.91 119.74 120.89 1b2i s LYS 70 Ca -0.11 -1.04 0.00 0.00 -1.56 0.00 0.00 55.97 53.26 1b2i s LYS 70 Cb 0.03 -4.59 0.00 0.00 -1.46 0.00 0.00 37.83 31.82 1b2i s LYS 70 CO 0.16 -1.92 0.36 -2.13 0.16 0.00 0.00 175.35 171.98 1b2i n ARG 71 N 7.83 0.00 -3.74 4.03 0.63 -1.26 -3.76 116.66 120.38 1b2i n ARG 71 Ca 0.11 0.05 -0.20 0.00 -0.92 0.00 0.00 57.85 56.88 1b2i n ARG 71 Cb 0.48 -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 -0.72 3.30 -0.14 -0.14 1.48 -1.26 -0.51 118.94 120.96 1b2i s TRP 72 Ca 0.00 -0.10 -0.30 0.00 -1.06 0.00 0.00 56.10 54.64 1b2i s TRP 72 Cb 0.00 -1.76 0.10 0.00 -1.16 0.00 0.00 33.47 30.65 1b2i s TRP 72 CO 0.00 0.24 0.87 -2.00 -4.06 0.00 0.00 176.95 171.99 1b2i s GLU 73 N -4.07 0.77 0.42 3.25 2.12 -0.44 -4.83 118.70 115.92 1b2i s GLU 73 Ca 0.39 0.29 -0.24 0.00 0.36 0.00 0.00 54.97 55.77 1b2i s GLU 73 Cb -0.09 0.37 -0.08 0.00 0.26 0.00 0.00 34.13 34.58 1b2i s GLU 73 CO 0.30 -0.22 1.17 -0.51 -0.54 0.00 0.00 175.26 175.47 1b2i s LEU 74 N -0.90 4.12 0.48 2.70 1.43 -1.26 -1.66 118.68 123.60 1b2i s LEU 74 Ca -0.05 2.34 -0.02 0.00 -1.03 0.00 0.00 54.13 55.38 1b2i s LEU 74 Cb -0.01 -4.11 -0.01 0.00 0.03 0.00 0.00 46.19 42.09 1b2i s LEU 74 CO 0.04 -0.78 0.74 0.00 0.23 0.00 0.00 176.35 176.58 1b2i n ASP 76 N -2.22 5.50 -4.77 0.00 -0.08 0.50 -4.28 116.55 111.20 1b2i n ASP 76 Ca 0.01 -3.19 -0.36 0.00 -1.51 0.00 0.00 54.79 49.74 1b2i n ASP 76 Cb 0.57 -1.25 -0.08 0.00 2.34 0.00 0.00 41.12 42.70 1b2i n ASP 76 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1b2i s ILE 77 N -1.85 5.22 0.10 5.18 -1.09 -1.26 -4.81 121.20 122.69 1b2i s ILE 77 Ca 0.31 0.11 -0.31 0.00 -2.23 0.00 0.00 60.65 58.53 1b2i s ILE 77 Cb -0.04 -3.31 -0.09 0.00 -1.58 0.00 0.00 42.46 37.44 1b2i s ILE 77 CO -0.03 0.54 1.68 -2.16 -1.23 0.00 0.00 174.94 173.75 1b2i s PRO 78 N -0.36 4.18 0.36 2.79 0.04 -1.26 -4.87 135.00 135.88 1b2i s PRO 78 Ca 0.11 2.40 -0.27 0.00 0.04 0.00 0.00 61.00 63.28 1b2i s PRO 78 Cb -0.12 -3.52 -0.09 0.00 0.04 0.00 0.00 34.50 30.81 1b2i s PRO 78 CO 0.01 -0.74 1.15 0.50 0.04 0.00 0.00 177.00 177.96 1b2i s ARG 79 N 2.41 4.27 -0.80 4.56 6.06 -1.26 -1.18 118.95 133.01 1b2i s ARG 79 Ca 0.75 1.84 -0.25 0.00 -2.50 0.00 0.00 55.73 55.56 1b2i s ARG 79 Cb -0.42 -2.86 -0.04 0.00 0.06 0.00 0.00 34.95 31.69 1b2i s ARG 79 CO 0.33 -0.13 1.95 0.00 -2.50 0.00 0.00 175.30 174.96