#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2i h SER -3 N 0.00 0.66 -5.17 3.42 0.02 -1.94 -3.47 113.55 107.08 1b2i h SER -3 Ca 0.00 -0.48 -0.14 0.00 -0.84 0.00 0.00 61.79 60.33 1b2i h SER -3 Cb 0.00 -0.20 0.11 0.00 0.14 0.00 0.00 62.40 62.45 1b2i h SER -3 CO 0.00 1.27 -0.48 -0.62 -1.14 0.00 0.00 176.83 175.86 1b2i n GLU -2 N -3.83 -1.70 -0.58 3.45 -0.58 -1.26 -3.10 120.64 113.04 1b2i n GLU -2 Ca -0.07 1.02 -0.05 0.00 -0.42 0.00 0.00 57.16 57.64 1b2i n GLU -2 Cb 0.79 -5.37 -0.07 0.00 -0.57 0.00 0.00 31.44 26.22 1b2i n GLU -2 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1b2i n GLU -1 N -2.53 1.17 -3.64 3.49 4.71 -1.26 -4.57 120.64 118.01 1b2i n GLU -1 Ca -0.04 -0.40 -0.06 0.00 -0.01 0.00 0.00 57.16 56.66 1b2i n GLU -1 Cb 0.57 -1.51 -0.07 0.00 -1.01 0.00 0.00 31.44 29.42 1b2i n GLU -1 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1b2i s MET 2 N 0.73 1.59 0.26 0.00 -1.94 -0.55 -4.69 119.30 114.70 1b2i s MET 2 Ca -0.02 -1.85 0.03 0.00 -1.71 0.00 0.00 55.69 52.13 1b2i s MET 2 Cb -0.04 -0.98 0.34 0.00 2.01 0.00 0.00 34.83 36.15 1b2i s MET 2 CO -0.11 -0.09 1.65 0.45 -0.01 0.00 0.00 175.02 176.91 1b2i h HIS 3 N 2.20 0.47 0.00 -0.03 3.86 -1.92 0.86 115.15 120.59 1b2i h HIS 3 Ca -0.40 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 1b2i h HIS 3 Cb 1.24 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1b2i h HIS 3 CO 0.62 0.75 0.00 0.41 0.86 0.00 0.00 177.93 180.57 1b2i n GLY 4 N -0.10 0.24 0.09 2.45 0.00 -1.26 -4.81 105.19 101.79 1b2i n GLY 4 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 1.84 0.00 1.61 3.41 -1.26 -3.93 113.62 115.29 1b2i n SER 5 Ca 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1b2i n SER 5 Cb 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 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 1.53 0.45 0.44 5.00 0.00 -1.26 -2.76 105.19 108.58 1b2i n GLY 6 Ca -0.19 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 0.04 -0.27 -0.01 1.61 4.22 -1.93 -2.03 114.58 116.20 1b2i h GLU 7 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1b2i h GLU 7 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1b2i h GLU 7 CO 0.00 -0.18 -0.45 -1.71 -2.18 0.00 0.00 179.01 174.48 1b2i n ASN 8 N -5.35 1.49 -4.60 1.04 2.85 -1.26 -4.62 115.26 104.82 1b2i n ASN 8 Ca -0.02 -1.18 -0.42 0.00 -0.11 0.00 0.00 54.58 52.85 1b2i n ASN 8 Cb 0.32 0.40 -0.03 0.00 1.24 0.00 0.00 39.78 41.71 1b2i n ASN 8 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1b2i s TYR 9 N -2.57 1.51 -0.51 1.20 5.04 -0.76 -4.89 117.35 116.37 1b2i s TYR 9 Ca 0.19 0.65 0.07 0.00 -2.44 0.00 0.00 57.07 55.54 1b2i s TYR 9 Cb 0.18 -4.02 0.34 0.00 0.35 0.00 0.00 41.96 38.82 1b2i s TYR 9 CO 0.59 -3.36 0.87 -0.25 -1.34 0.00 0.00 175.55 172.07 1b2i n ASP 10 N 11.24 3.23 0.00 4.32 8.00 -1.26 -4.61 116.55 137.47 1b2i n ASP 10 Ca 0.26 -3.45 0.00 0.00 0.71 0.00 0.00 54.79 52.31 1b2i n ASP 10 Cb 0.47 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1b2i n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b2i n GLY 11 N -0.05 1.08 0.00 0.44 0.00 -1.18 -4.87 105.19 100.61 1b2i n GLY 11 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.56 -2.38 1.61 4.76 -1.26 -4.91 118.16 116.54 1b2i n LYS 12 Ca 0.00 -0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.02 1b2i n LYS 12 Cb 0.00 -0.10 -0.03 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 -0.08 3.57 -0.33 -0.18 1.01 -1.26 -4.89 121.20 119.05 1b2i s ILE 13 Ca 0.00 1.34 0.17 0.00 0.00 0.00 0.00 60.65 62.16 1b2i s ILE 13 Cb 0.00 -3.85 0.45 0.00 0.01 0.00 0.00 42.46 39.07 1b2i s ILE 13 CO 0.00 0.22 1.02 -0.24 0.00 0.00 0.00 174.94 175.95 1b2i n SER 14 N 2.42 0.95 -3.73 3.58 2.88 -1.26 -1.04 113.62 117.41 1b2i n SER 14 Ca 0.04 -2.62 -0.26 0.00 -1.33 0.00 0.00 58.87 54.69 1b2i n SER 14 Cb 0.45 -0.30 -0.17 0.00 -0.75 0.00 0.00 64.21 63.44 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 -2.67 0.60 -0.07 -1.46 3.01 -1.26 -0.61 119.74 117.28 1b2i s LYS 15 Ca 0.26 -0.26 -0.30 0.00 -1.01 0.00 0.00 55.97 54.66 1b2i s LYS 15 Cb 0.44 -1.81 -0.03 0.00 -1.01 0.00 0.00 37.83 35.42 1b2i s LYS 15 CO 0.01 -0.56 1.24 0.95 0.51 0.00 0.00 175.35 177.51 1b2i s THR 16 N 1.91 4.20 0.26 2.17 -4.23 -0.16 -1.85 115.64 117.93 1b2i s THR 16 Ca 0.01 1.51 0.09 0.00 -1.18 0.00 0.00 61.69 62.12 1b2i s THR 16 Cb -0.16 -3.97 0.29 0.00 1.34 0.00 0.00 72.50 70.00 1b2i s THR 16 CO -0.07 -0.03 1.18 1.15 -0.54 0.00 0.00 174.62 176.31 1b2i n MET 17 N 5.53 -0.05 -0.03 3.99 0.00 0.17 -2.51 117.12 124.22 1b2i n MET 17 Ca 0.12 1.08 -0.05 0.00 0.00 0.00 0.00 57.70 58.85 1b2i n MET 17 Cb 0.46 -1.83 -0.03 0.00 0.00 0.00 0.00 33.22 31.82 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 -4.86 3.22 0.00 3.17 3.41 -1.26 -4.92 113.62 112.37 1b2i n SER 18 Ca 0.23 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1b2i n SER 18 Cb 0.79 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 3.14 -0.81 0.00 5.00 0.00 -1.04 -5.11 105.19 106.36 1b2i n GLY 19 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.91 117.00 111.38 1b2i n LEU 20 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.62 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 0.83 -0.70 -1.22 0.00 0.00 177.39 176.30 1b2i s GLU 21 N -0.94 3.85 0.35 3.23 2.56 -1.26 -0.99 118.70 125.49 1b2i s GLU 21 Ca 0.00 1.80 -0.26 0.00 0.00 0.00 0.00 54.97 56.51 1b2i s GLU 21 Cb 0.00 -2.49 -0.09 0.00 2.00 0.00 0.00 34.13 33.55 1b2i s GLU 21 CO 0.00 -0.48 1.01 0.00 -0.56 0.00 0.00 175.26 175.23 1b2i s GLN 23 N -2.16 3.63 0.65 0.00 -0.44 0.39 -4.85 119.66 116.87 1b2i s GLN 23 Ca 0.53 0.01 -0.17 0.00 -2.50 0.00 0.00 55.36 53.23 1b2i s GLN 23 Cb -0.22 -3.10 -0.00 0.00 -1.64 0.00 0.00 33.01 28.05 1b2i s GLN 23 CO 0.27 0.66 1.21 0.00 0.50 0.00 0.00 175.29 177.94 1b2i s ALA 24 N -1.25 2.36 -0.22 1.58 0.00 -1.26 -4.27 121.76 118.70 1b2i s ALA 24 Ca 0.26 0.97 0.29 0.00 0.00 0.00 0.00 51.96 53.47 1b2i s ALA 24 Cb -0.14 -3.47 1.02 0.00 0.00 0.00 0.00 23.12 20.54 1b2i s ALA 24 CO 0.14 -1.49 1.83 -1.49 0.00 0.00 0.00 175.76 174.76 1b2i h TRP 25 N 0.36 0.00 -0.04 0.00 4.06 -1.01 -3.45 115.95 115.88 1b2i h TRP 25 Ca -0.49 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.46 1b2i h TRP 25 Cb 1.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.46 1b2i h TRP 25 CO 0.46 0.00 0.00 -3.47 -3.56 0.00 0.00 178.44 171.87 1b2i n ASP 26 N -2.82 0.00 -4.28 -3.49 2.03 -1.26 -3.95 116.55 102.78 1b2i n ASP 26 Ca 0.02 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.97 1b2i n ASP 26 Cb 0.35 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.61 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 4.78 0.00 1.67 0.15 -1.26 -4.75 113.70 113.29 1b2i s SER 27 Ca 0.00 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1b2i s SER 27 Cb 0.00 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 1b2i s SER 27 CO 0.00 -0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.27 1b2i n GLN 28 N 4.77 0.00 0.00 5.44 -0.00 -1.26 -5.06 117.38 121.28 1b2i n GLN 28 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.85 1b2i n GLN 28 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.71 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 -1.58 0.00 0.04 2.61 3.41 -1.26 -4.66 113.62 112.18 1b2i n SER 29 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1b2i n SER 29 Cb 0.00 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.44 1b2i n SER 29 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1b2i n PRO 30 N -0.01 0.08 -3.56 4.33 -0.02 -1.26 -4.85 135.00 129.71 1b2i n PRO 30 Ca 0.00 0.15 -0.07 0.00 -2.02 0.00 0.00 63.50 61.56 1b2i n PRO 30 Cb 0.00 -1.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1b2i n PRO 30 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1b2i s HIS 31 N -3.06 -0.31 -1.26 6.00 -3.43 -1.26 -5.05 115.29 106.92 1b2i s HIS 31 Ca 0.11 0.12 -0.19 0.00 -0.80 0.00 0.00 55.06 54.30 1b2i s HIS 31 Cb 0.14 0.57 0.01 0.00 -1.43 0.00 0.00 32.58 31.87 1b2i s HIS 31 CO 0.47 -0.65 1.89 0.00 -2.00 0.00 0.00 174.74 174.45 1b2i n ALA 32 N -0.32 3.57 -1.07 -1.38 0.00 -1.26 -4.60 120.51 115.45 1b2i n ALA 32 Ca -0.09 -3.64 -0.30 0.00 0.00 0.00 0.00 53.44 49.42 1b2i n ALA 32 Cb 0.62 -3.57 0.24 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 5.50 0.56 0.96 0.00 -3.43 -1.26 -5.06 115.29 112.56 1b2i s HIS 33 Ca 0.56 0.53 -0.16 0.00 -0.80 0.00 0.00 55.06 55.19 1b2i s HIS 33 Cb 0.06 -3.43 0.19 0.00 -1.43 0.00 0.00 32.58 27.97 1b2i s HIS 33 CO 0.06 -3.85 1.29 0.20 -2.00 0.00 0.00 174.74 170.45 1b2i s GLY 34 N -3.85 1.75 -0.84 -1.38 0.00 -1.26 -4.60 107.32 97.14 1b2i s GLY 34 Ca 0.71 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.27 1b2i s GLY 34 CO 0.56 -0.38 0.73 -1.72 0.00 0.00 0.00 173.10 172.29 1b2i n TYR 36 N -3.77 -1.88 -3.42 1.90 4.01 -1.26 -5.01 117.16 107.73 1b2i n TYR 36 Ca 0.14 0.68 -0.39 0.00 -0.16 0.00 0.00 57.90 58.18 1b2i n TYR 36 Cb 0.60 -3.88 -0.09 0.00 -0.31 0.00 0.00 39.34 35.66 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 -3.30 5.20 0.58 -0.72 1.01 -1.25 -4.69 121.20 118.03 1b2i s ILE 37 Ca 0.29 0.56 0.28 0.00 0.00 0.00 0.00 60.65 61.78 1b2i s ILE 37 Cb -0.04 -3.68 0.38 0.00 0.01 0.00 0.00 42.46 39.13 1b2i s ILE 37 CO 0.57 0.20 1.96 -0.65 0.00 0.00 0.00 174.94 177.02 1b2i h PRO 38 N 7.95 0.00 0.00 2.79 0.11 -1.94 -0.02 132.00 140.89 1b2i h PRO 38 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 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 0.66 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.88 1b2i n SER 39 N -3.85 0.00 -0.44 -2.05 7.64 -1.26 -1.02 113.62 112.63 1b2i n SER 39 Ca 0.07 0.12 0.05 0.00 1.01 0.00 0.00 58.87 60.12 1b2i n SER 39 Cb 0.59 -0.24 0.08 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.24 1.55 -4.08 1.43 4.01 -0.02 -4.97 118.16 114.84 1b2i n LYS 40 Ca 0.04 -1.49 -0.33 0.00 -0.51 0.00 0.00 58.31 56.02 1b2i n LYS 40 Cb 0.05 -1.20 -0.16 0.00 -0.51 0.00 0.00 35.03 33.22 1b2i n LYS 40 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1b2i s PHE 41 N -0.88 2.90 -1.39 2.13 0.40 -0.19 -4.90 117.98 116.05 1b2i s PHE 41 Ca 0.15 -1.70 0.20 0.00 -0.60 0.00 0.00 56.93 54.98 1b2i s PHE 41 Cb 0.09 -1.95 1.01 0.00 0.51 0.00 0.00 43.02 42.68 1b2i s PHE 41 CO 0.12 -0.79 1.64 -0.35 0.70 0.00 0.00 175.22 176.54 1b2i n PRO 42 N 4.61 0.26 -1.61 0.24 -0.04 -1.26 -4.82 135.00 132.37 1b2i n PRO 42 Ca -0.19 0.10 -0.29 0.00 -0.04 0.00 0.00 63.50 63.08 1b2i n PRO 42 Cb 0.48 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.61 4.11 0.00 3.54 3.84 -1.26 -4.99 114.94 117.57 1b2i s ASN 43 Ca 0.18 1.07 0.23 0.00 0.21 0.00 0.00 52.86 54.55 1b2i s ASN 43 Cb 0.14 -1.70 0.06 0.00 -0.55 0.00 0.00 41.25 39.20 1b2i s ASN 43 CO 0.32 -2.18 1.12 2.29 -2.79 0.00 0.00 177.10 175.85 1b2i n LYS 44 N -3.54 0.77 0.00 0.43 0.00 -1.26 -4.79 118.16 109.77 1b2i n LYS 44 Ca 0.07 -0.61 0.00 0.00 -0.00 0.00 0.00 58.31 57.76 1b2i n LYS 44 Cb 0.58 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 34.13 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 -0.58 0.00 -4.70 -5.58 6.94 -1.26 -4.65 115.26 105.43 1b2i n ASN 45 Ca 0.08 0.43 -0.33 0.00 -0.02 0.00 0.00 54.58 54.73 1b2i n ASN 45 Cb 0.41 -0.01 0.12 0.00 -2.36 0.00 0.00 39.78 37.95 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 -1.90 3.16 0.00 -4.53 2.01 -1.26 -4.87 118.68 111.29 1b2i s LEU 46 Ca 0.00 2.35 0.00 0.00 0.01 0.00 0.00 54.13 56.49 1b2i s LEU 46 Cb 0.00 -4.59 0.00 0.00 0.01 0.00 0.00 46.19 41.61 1b2i s LEU 46 CO 0.00 -2.60 0.00 1.17 1.01 0.00 0.00 176.35 175.93 1b2i n LYS 47 N -3.24 0.44 0.00 1.70 3.00 -1.26 -5.00 118.16 113.80 1b2i n LYS 47 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 1b2i n LYS 47 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.54 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 -0.75 1.64 4.76 -1.26 -4.33 118.16 118.22 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 -0.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 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 -0.24 0.24 -4.87 4.39 6.94 -1.26 -0.54 115.26 119.91 1b2i n ASN 49 Ca 0.00 -1.97 -0.31 0.00 -0.02 0.00 0.00 54.58 52.28 1b2i n ASN 49 Cb 0.00 -0.21 -0.04 0.00 -2.36 0.00 0.00 39.78 37.16 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 0.00 3.43 0.21 -2.53 2.02 -1.26 -4.49 117.35 114.74 1b2i s TYR 50 Ca 0.08 1.02 -0.32 0.00 -0.37 0.00 0.00 57.07 57.49 1b2i s TYR 50 Cb 0.10 -2.40 -0.12 0.00 -0.40 0.00 0.00 41.96 39.13 1b2i s TYR 50 CO -0.04 0.04 1.70 0.00 -1.57 0.00 0.00 175.55 175.69 1b2i n ARG 52 N 3.78 0.53 -3.00 0.00 5.12 0.44 -4.69 116.66 118.84 1b2i n ARG 52 Ca 0.15 -0.64 -0.17 0.00 -1.93 0.00 0.00 57.85 55.26 1b2i n ARG 52 Cb 0.35 0.42 -0.02 0.00 -1.16 0.00 0.00 32.46 32.05 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 -2.30 1.59 -0.36 0.55 4.13 -1.26 -0.54 115.26 117.07 1b2i n ASN 53 Ca -0.00 -3.05 0.01 0.00 1.68 0.00 0.00 54.58 53.21 1b2i n ASN 53 Cb 0.11 -0.58 0.15 0.00 -1.54 0.00 0.00 39.78 37.92 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 2.98 1.17 -0.02 3.52 0.11 -1.94 -0.04 132.00 137.77 1b2i h PRO 54 Ca 0.07 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1b2i h PRO 54 Cb 0.96 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1b2i h PRO 54 CO 0.55 0.77 -0.19 -0.40 -0.21 0.00 0.00 178.00 178.53 1b2i n ASP 55 N -4.48 1.87 -3.46 -2.05 5.75 -1.26 -4.97 116.55 107.94 1b2i n ASP 55 Ca 0.14 -1.47 -0.19 0.00 -0.01 0.00 0.00 54.79 53.26 1b2i n ASP 55 Cb 0.13 0.15 0.03 0.00 -1.03 0.00 0.00 41.12 40.40 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 0.19 -1.44 -1.10 0.11 0.00 -0.03 -5.03 116.66 109.37 1b2i n ARG 56 Ca 0.14 0.87 -0.29 0.00 -0.00 0.00 0.00 57.85 58.57 1b2i n ARG 56 Cb 0.44 -4.48 0.19 0.00 -0.00 0.00 0.00 32.46 28.61 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 -4.70 0.03 0.00 2.89 2.56 -1.26 -5.04 118.70 113.18 1b2i s GLU 57 Ca 0.24 0.45 0.00 0.00 0.00 0.00 0.00 54.97 55.66 1b2i s GLU 57 Cb -0.07 -1.70 0.00 0.00 2.00 0.00 0.00 34.13 34.36 1b2i s GLU 57 CO 0.82 -2.98 0.13 -0.11 -0.56 0.00 0.00 175.26 172.55 1b2i n LEU 58 N -4.34 0.15 -4.77 2.70 7.94 -1.26 -4.75 117.00 112.68 1b2i n LEU 58 Ca 0.06 0.13 -0.38 0.00 -1.11 0.00 0.00 56.01 54.70 1b2i n LEU 58 Cb 0.57 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.48 1b2i n LEU 58 CO 0.56 0.00 0.75 -0.60 -1.11 0.00 0.00 177.39 176.99 1b2i s ARG 59 N -0.26 4.42 0.38 1.96 3.52 -1.25 -4.14 118.95 123.59 1b2i s ARG 59 Ca 0.00 1.62 -0.27 0.00 -0.13 0.00 0.00 55.73 56.95 1b2i s ARG 59 Cb 0.00 -2.86 -0.10 0.00 -1.56 0.00 0.00 34.95 30.42 1b2i s ARG 59 CO 0.00 0.06 1.43 -1.25 -0.81 0.00 0.00 175.30 174.73 1b2i s PRO 61 N -1.96 4.06 0.23 5.12 0.04 -1.11 -4.71 135.00 136.67 1b2i s PRO 61 Ca 0.51 2.46 0.02 0.00 0.04 0.00 0.00 61.00 64.03 1b2i s PRO 61 Cb -0.26 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 1b2i s PRO 61 CO 0.33 -0.53 0.05 1.67 0.04 0.00 0.00 177.00 178.56 1b2i s TRP 62 N -1.15 1.48 0.16 0.56 1.48 0.30 -0.43 118.94 121.34 1b2i s TRP 62 Ca 0.54 -1.07 -0.12 0.00 -1.06 0.00 0.00 56.10 54.39 1b2i s TRP 62 Cb -0.44 -0.86 0.01 0.00 -1.16 0.00 0.00 33.47 31.01 1b2i s TRP 62 CO 0.59 -0.22 0.35 0.00 -4.06 0.00 0.00 176.95 173.61 1b2i s PHE 64 N -3.91 2.74 0.48 0.00 0.08 -1.26 -2.87 117.98 113.24 1b2i s PHE 64 Ca 0.12 1.54 0.08 0.00 0.12 0.00 0.00 56.93 58.78 1b2i s PHE 64 Cb 0.02 -3.12 0.03 0.00 -0.57 0.00 0.00 43.02 39.38 1b2i s PHE 64 CO -0.04 -1.51 0.58 0.95 -0.10 0.00 0.00 175.22 175.10 1b2i s THR 65 N -2.36 2.49 -1.87 0.64 -4.23 -0.16 -0.46 115.64 109.68 1b2i s THR 65 Ca 0.66 -1.14 0.28 0.00 -1.18 0.00 0.00 61.69 60.31 1b2i s THR 65 Cb -0.19 -2.62 0.46 0.00 1.34 0.00 0.00 72.50 71.48 1b2i s THR 65 CO 0.40 0.00 1.78 0.35 -0.54 0.00 0.00 174.62 176.61 1b2i n THR 66 N -1.90 0.00 -2.88 3.99 -2.24 -1.17 -4.46 114.28 105.63 1b2i n THR 66 Ca 0.08 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1b2i n THR 66 Cb 0.61 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 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 -2.35 6.84 0.00 3.42 -1.08 -1.26 -4.73 116.67 117.51 1b2i s ASP 67 Ca 0.31 1.03 0.00 0.00 -0.52 0.00 0.00 52.55 53.37 1b2i s ASP 67 Cb 0.20 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 1b2i s ASP 67 CO 0.45 -0.54 0.77 -2.65 0.52 0.00 0.00 175.17 173.72 1b2i n PRO 68 N 6.06 0.00 -0.03 4.34 -0.02 -1.26 -0.93 135.00 143.15 1b2i n PRO 68 Ca 0.06 0.29 0.03 0.00 -2.02 0.00 0.00 63.50 61.86 1b2i n PRO 68 Cb 0.47 -1.56 0.04 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 -1.27 1.91 -3.52 2.55 5.03 -1.26 -4.87 115.26 113.84 1b2i n ASN 69 Ca 0.00 -2.24 -0.29 0.00 0.87 0.00 0.00 54.58 52.92 1b2i n ASN 69 Cb 0.06 -0.13 -0.12 0.00 -1.02 0.00 0.00 39.78 38.57 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 -1.43 0.72 0.00 3.52 2.47 -0.11 -5.06 119.74 119.85 1b2i s LYS 70 Ca 0.09 -1.48 0.00 0.00 -1.56 0.00 0.00 55.97 53.02 1b2i s LYS 70 Cb 0.08 -1.54 0.00 0.00 -1.46 0.00 0.00 37.83 34.91 1b2i s LYS 70 CO 0.01 -1.20 0.34 -2.13 0.16 0.00 0.00 175.35 172.53 1b2i n ARG 71 N 3.94 0.00 -3.88 4.03 0.63 -1.26 -3.74 116.66 116.37 1b2i n ARG 71 Ca 0.11 0.01 -0.21 0.00 -0.92 0.00 0.00 57.85 56.84 1b2i n ARG 71 Cb 0.36 -0.84 -0.02 0.00 0.45 0.00 0.00 32.46 32.41 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 -0.67 3.22 -0.21 -0.14 1.48 -1.26 -0.99 118.94 120.36 1b2i s TRP 72 Ca 0.00 -0.12 -0.28 0.00 -1.06 0.00 0.00 56.10 54.64 1b2i s TRP 72 Cb 0.00 -1.65 0.11 0.00 -1.16 0.00 0.00 33.47 30.78 1b2i s TRP 72 CO 0.00 0.33 0.95 -2.00 -4.06 0.00 0.00 176.95 172.17 1b2i s GLU 73 N -3.99 0.63 0.41 3.25 2.56 -1.14 -4.88 118.70 115.54 1b2i s GLU 73 Ca 0.37 0.43 -0.26 0.00 0.00 0.00 0.00 54.97 55.51 1b2i s GLU 73 Cb -0.08 0.30 -0.09 0.00 2.00 0.00 0.00 34.13 36.26 1b2i s GLU 73 CO 0.28 -0.14 1.30 -0.51 -0.56 0.00 0.00 175.26 175.63 1b2i s LEU 74 N -0.42 4.21 0.29 2.70 1.43 -1.26 -2.95 118.68 122.68 1b2i s LEU 74 Ca -0.01 2.66 -0.12 0.00 -1.03 0.00 0.00 54.13 55.63 1b2i s LEU 74 Cb -0.03 -3.91 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 1b2i s LEU 74 CO -0.01 -0.86 0.66 0.00 0.23 0.00 0.00 176.35 176.37 1b2i s ASP 76 N -2.41 6.97 0.15 0.00 -1.08 -0.77 -4.61 116.67 114.91 1b2i s ASP 76 Ca 0.51 -2.80 -0.25 0.00 -0.52 0.00 0.00 52.55 49.49 1b2i s ASP 76 Cb -0.11 -2.38 -0.08 0.00 -1.46 0.00 0.00 42.92 38.90 1b2i s ASP 76 CO 0.20 -0.79 0.76 -0.63 0.52 0.00 0.00 175.17 175.24 1b2i s ILE 77 N 1.60 4.42 -0.01 4.11 1.09 -1.26 -4.98 121.20 126.17 1b2i s ILE 77 Ca 0.39 1.65 -0.30 0.00 -1.10 0.00 0.00 60.65 61.29 1b2i s ILE 77 Cb -0.04 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 37.21 1b2i s ILE 77 CO -0.03 0.52 1.10 -2.16 -0.10 0.00 0.00 174.94 174.27 1b2i s PRO 78 N -1.08 4.45 0.37 2.79 0.04 -1.26 -4.94 135.00 135.37 1b2i s PRO 78 Ca 0.35 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.72 1b2i s PRO 78 Cb -0.23 -3.47 -0.09 0.00 0.04 0.00 0.00 34.50 30.76 1b2i s PRO 78 CO 0.25 -0.25 1.08 0.50 0.04 0.00 0.00 177.00 178.62 1b2i s ARG 79 N 1.49 4.24 -0.57 4.56 3.52 -1.26 -1.48 118.95 129.45 1b2i s ARG 79 Ca 0.54 1.62 -0.27 0.00 -0.13 0.00 0.00 55.73 57.49 1b2i s ARG 79 Cb -0.24 -2.70 -0.01 0.00 -1.56 0.00 0.00 34.95 30.45 1b2i s ARG 79 CO 0.25 -0.10 1.68 0.00 -0.81 0.00 0.00 175.30 176.33