#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 6.30 0.00 3.42 0.15 -1.26 -3.99 113.70 118.32 1b2i s SER -3 Ca 0.00 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.01 1b2i s SER -3 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1b2i s SER -3 CO 0.00 -1.37 0.00 -1.84 1.20 0.00 0.00 173.24 171.23 1b2i n GLU -2 N 7.86 0.00 -3.10 5.44 0.28 -1.26 -5.10 120.64 124.76 1b2i n GLU -2 Ca 0.19 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.12 1b2i n GLU -2 Cb 0.46 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.33 1b2i n GLU -2 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1b2i n GLU -1 N -1.18 -0.50 -3.80 3.44 0.28 -1.26 -4.97 120.64 112.65 1b2i n GLU -1 Ca 0.00 -0.04 -0.14 0.00 -0.16 0.00 0.00 57.16 56.82 1b2i n GLU -1 Cb 0.00 -0.19 -0.15 0.00 1.43 0.00 0.00 31.44 32.53 1b2i n GLU -1 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1b2i s MET 2 N 0.68 1.25 0.17 0.00 -1.94 -0.25 -4.72 119.30 114.49 1b2i s MET 2 Ca -0.05 -1.44 -0.02 0.00 -1.71 0.00 0.00 55.69 52.46 1b2i s MET 2 Cb -0.08 -1.17 0.03 0.00 2.01 0.00 0.00 34.83 35.63 1b2i s MET 2 CO -0.02 0.22 1.42 0.45 -0.01 0.00 0.00 175.02 177.07 1b2i h HIS 3 N 3.05 0.58 0.00 -0.03 3.86 -1.94 0.48 115.15 121.15 1b2i h HIS 3 Ca -0.40 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 58.55 1b2i h HIS 3 Cb 1.21 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1b2i h HIS 3 CO 0.69 1.03 0.00 0.41 0.86 0.00 0.00 177.93 180.91 1b2i n GLY 4 N 0.59 0.27 0.00 2.45 0.00 -1.26 -4.84 105.19 102.40 1b2i n GLY 4 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -1.48 1.61 3.41 -1.26 -3.81 113.62 112.09 1b2i n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1b2i n SER 5 Cb 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 2.27 -0.59 0.43 5.00 0.00 -1.26 -3.92 105.19 107.12 1b2i n GLY 6 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 -1.03 -1.53 1.61 4.22 -1.91 -3.17 114.58 112.77 1b2i h GLU 7 Ca 0.00 0.07 -0.54 0.00 0.08 0.00 0.00 59.36 58.97 1b2i h GLU 7 Cb 0.23 0.23 -0.22 0.00 0.50 0.00 0.00 28.75 29.50 1b2i h GLU 7 CO 0.00 -0.69 0.66 -1.71 -2.18 0.00 0.00 179.01 175.10 1b2i n ASN 8 N -5.25 7.04 -4.68 1.04 5.15 -1.26 -4.00 115.26 113.30 1b2i n ASN 8 Ca -0.13 -3.45 -0.42 0.00 -0.60 0.00 0.00 54.58 49.97 1b2i n ASN 8 Cb 0.42 -1.07 -0.03 0.00 -0.53 0.00 0.00 39.78 38.58 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 -2.80 2.82 0.07 1.20 5.04 -1.20 -4.74 117.35 117.74 1b2i s TYR 9 Ca 0.51 0.83 0.01 0.00 -2.44 0.00 0.00 57.07 55.98 1b2i s TYR 9 Cb 0.39 -3.64 -0.04 0.00 0.35 0.00 0.00 41.96 39.03 1b2i s TYR 9 CO -0.12 -2.34 -0.06 0.16 -1.34 0.00 0.00 175.55 171.85 1b2i s ASP 10 N 1.97 0.88 0.00 4.32 1.47 -1.26 -4.65 116.67 119.40 1b2i s ASP 10 Ca 0.63 -0.88 0.00 0.00 1.18 0.00 0.00 52.55 53.47 1b2i s ASP 10 Cb -0.30 0.11 0.00 0.00 -0.34 0.00 0.00 42.92 42.39 1b2i s ASP 10 CO 0.25 -0.43 0.00 0.61 0.68 0.00 0.00 175.17 176.27 1b2i n GLY 11 N 0.39 -2.30 0.00 2.12 0.00 -1.26 -4.21 105.19 99.92 1b2i n GLY 11 Ca -0.15 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -2.36 1.61 5.02 -1.26 -4.77 118.16 116.40 1b2i n LYS 12 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1b2i n LYS 12 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1b2i n LYS 12 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1b2i s ILE 13 N -0.06 3.91 -0.28 -0.18 1.09 -1.26 -4.88 121.20 119.54 1b2i s ILE 13 Ca 0.00 1.34 0.20 0.00 -1.10 0.00 0.00 60.65 61.10 1b2i s ILE 13 Cb 0.00 -3.86 0.48 0.00 -1.06 0.00 0.00 42.46 38.02 1b2i s ILE 13 CO 0.00 0.07 1.20 -0.24 -0.10 0.00 0.00 174.94 175.86 1b2i n SER 14 N 4.40 0.86 -4.26 3.58 2.88 -1.26 -2.62 113.62 117.19 1b2i n SER 14 Ca 0.10 -2.12 -0.32 0.00 -1.33 0.00 0.00 58.87 55.20 1b2i n SER 14 Cb 0.45 -0.21 -0.16 0.00 -0.75 0.00 0.00 64.21 63.54 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 -2.86 3.15 0.06 -1.46 3.01 -1.26 -0.27 119.74 120.11 1b2i s LYS 15 Ca 0.23 -0.81 -0.30 0.00 -1.01 0.00 0.00 55.97 54.08 1b2i s LYS 15 Cb 0.36 -2.45 -0.05 0.00 -1.01 0.00 0.00 37.83 34.68 1b2i s LYS 15 CO -0.05 0.13 1.07 0.95 0.51 0.00 0.00 175.35 177.96 1b2i s THR 16 N 0.49 4.40 0.47 2.17 -4.23 0.26 -2.34 115.64 116.87 1b2i s THR 16 Ca -0.13 1.80 0.28 0.00 -1.18 0.00 0.00 61.69 62.46 1b2i s THR 16 Cb -0.17 -4.15 0.48 0.00 1.34 0.00 0.00 72.50 70.00 1b2i s THR 16 CO 0.05 0.18 1.78 0.00 -0.54 0.00 0.00 174.62 176.09 1b2i h MET 17 N 6.41 0.17 -0.18 3.99 -0.00 -0.94 -1.27 114.93 123.10 1b2i h MET 17 Ca -0.42 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.70 59.10 1b2i h MET 17 Cb 1.22 -0.04 -0.23 0.00 -0.00 0.00 0.00 31.60 32.55 1b2i h MET 17 CO 0.76 0.11 -0.78 -1.13 -0.00 0.00 0.00 176.91 175.88 1b2i n SER 18 N -4.41 2.06 0.00 -0.10 3.41 -1.26 -4.95 113.62 108.37 1b2i n SER 18 Ca 0.26 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 1b2i n SER 18 Cb 1.09 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.54 -1.01 2.52 5.00 0.00 -0.48 -5.18 105.19 105.50 1b2i n GLY 19 Ca 0.18 0.56 -0.15 0.00 0.00 0.00 0.00 46.02 46.61 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 -4.76 0.99 4.32 -1.25 -4.90 117.00 111.40 1b2i n LEU 20 Ca 0.00 -2.48 -0.41 0.00 -0.02 0.00 0.00 56.01 53.10 1b2i n LEU 20 Cb 0.00 1.29 -0.03 0.00 -1.62 0.00 0.00 43.42 43.06 1b2i n LEU 20 CO 0.00 -0.41 0.93 -0.70 -1.22 0.00 0.00 177.39 175.98 1b2i s GLU 21 N -3.07 4.45 0.53 3.23 2.56 -1.26 -0.57 118.70 124.56 1b2i s GLU 21 Ca 0.31 2.04 -0.17 0.00 0.00 0.00 0.00 54.97 57.15 1b2i s GLU 21 Cb 0.01 -3.15 -0.07 0.00 2.00 0.00 0.00 34.13 32.93 1b2i s GLU 21 CO 0.22 -0.09 1.01 0.00 -0.56 0.00 0.00 175.26 175.83 1b2i s GLN 23 N -3.96 4.23 0.68 0.00 -0.44 0.42 -4.76 119.66 115.84 1b2i s GLN 23 Ca 0.61 0.62 -0.17 0.00 -2.50 0.00 0.00 55.36 53.92 1b2i s GLN 23 Cb -0.12 -3.32 0.01 0.00 -1.64 0.00 0.00 33.01 27.93 1b2i s GLN 23 CO 0.31 0.43 1.24 0.00 0.50 0.00 0.00 175.29 177.77 1b2i n ALA 24 N 2.59 0.80 0.75 1.58 0.00 -1.26 -4.32 120.51 120.66 1b2i n ALA 24 Ca -0.09 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.36 1b2i n ALA 24 Cb 0.51 -2.29 0.40 0.00 0.00 0.00 0.00 19.45 18.08 1b2i n ALA 24 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1b2i n TRP 25 N -2.19 0.00 0.00 0.00 7.02 0.45 -4.66 117.44 118.06 1b2i n TRP 25 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 1b2i n TRP 25 Cb 0.48 -0.31 0.00 0.00 -2.42 0.00 0.00 31.31 29.07 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 -1.31 0.00 -3.67 -0.99 8.00 -1.26 -3.97 116.55 113.35 1b2i n ASP 26 Ca 0.07 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.42 1b2i n ASP 26 Cb 0.14 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.34 0.53 0.12 -2.24 0.15 -1.26 -4.80 113.70 104.86 1b2i s SER 27 Ca 0.00 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1b2i s SER 27 Cb 0.00 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1b2i s SER 27 CO 0.00 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.21 1b2i n GLN 28 N 5.21 0.00 -3.64 5.44 0.00 -1.26 -5.08 117.38 118.06 1b2i n GLN 28 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.93 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 -3.13 -0.09 0.34 2.61 0.01 -1.26 -4.75 113.70 107.43 1b2i s SER 29 Ca 0.00 -0.16 0.25 0.00 1.31 0.00 0.00 55.95 57.35 1b2i s SER 29 Cb 0.00 0.21 1.21 0.00 0.21 0.00 0.00 66.02 67.66 1b2i s SER 29 CO 0.00 -0.39 1.77 -0.65 0.41 0.00 0.00 173.24 174.38 1b2i h PRO 30 N 2.00 0.00 -2.30 12.44 0.11 -1.89 -3.47 132.00 138.88 1b2i h PRO 30 Ca -0.27 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.00 1b2i h PRO 30 Cb 1.20 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 1b2i h PRO 30 CO 0.27 0.00 0.50 -1.01 -0.21 0.00 0.00 178.00 177.55 1b2i s HIS 31 N -3.51 -0.19 -1.23 0.65 3.76 -1.26 -5.06 115.29 108.44 1b2i s HIS 31 Ca 0.01 -0.06 -0.20 0.00 -0.15 0.00 0.00 55.06 54.66 1b2i s HIS 31 Cb 0.08 0.61 -0.01 0.00 1.11 0.00 0.00 32.58 34.37 1b2i s HIS 31 CO 0.33 -0.73 1.87 0.00 -0.85 0.00 0.00 174.74 175.36 1b2i n ALA 32 N -0.41 3.03 -0.91 -1.40 0.00 -1.26 -4.67 120.51 114.89 1b2i n ALA 32 Ca -0.07 -3.49 -0.29 0.00 0.00 0.00 0.00 53.44 49.59 1b2i n ALA 32 Cb 0.61 -3.56 0.22 0.00 0.00 0.00 0.00 19.45 16.72 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 6.84 1.61 0.65 0.00 -3.43 -1.26 -5.06 115.29 114.64 1b2i s HIS 33 Ca 0.59 0.98 -0.11 0.00 -0.80 0.00 0.00 55.06 55.72 1b2i s HIS 33 Cb 0.04 -3.21 0.15 0.00 -1.43 0.00 0.00 32.58 28.13 1b2i s HIS 33 CO 0.09 -3.45 0.79 0.41 -2.00 0.00 0.00 174.74 170.58 1b2i n GLY 34 N -0.31 -1.69 2.97 -1.38 0.00 -1.26 -4.56 105.19 98.96 1b2i n GLY 34 Ca 0.05 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.35 -1.81 -3.59 1.61 4.01 -1.26 -5.01 117.16 107.76 1b2i n TYR 36 Ca 0.10 0.76 -0.37 0.00 -0.16 0.00 0.00 57.90 58.22 1b2i n TYR 36 Cb 0.36 -4.42 -0.09 0.00 -0.31 0.00 0.00 39.34 34.88 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 5.32 0.57 -0.72 1.01 -1.26 -4.77 121.20 118.05 1b2i s ILE 37 Ca 0.05 0.28 0.32 0.00 0.00 0.00 0.00 60.65 61.30 1b2i s ILE 37 Cb -0.01 -3.55 0.46 0.00 0.01 0.00 0.00 42.46 39.37 1b2i s ILE 37 CO 0.59 0.30 1.77 -0.65 0.00 0.00 0.00 174.94 176.96 1b2i h PRO 38 N 7.68 0.00 0.00 2.79 0.11 -1.90 -0.16 132.00 140.52 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 0.65 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.21 1b2i h SER 39 N 0.00 0.00 -0.14 -2.05 0.02 -1.93 -0.01 113.55 109.43 1b2i h SER 39 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1b2i h SER 39 Cb 1.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.44 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 -2.30 1.77 -4.04 3.45 5.02 -0.07 -4.91 118.16 117.08 1b2i n LYS 40 Ca -0.01 -1.74 -0.31 0.00 -2.02 0.00 0.00 58.31 54.22 1b2i n LYS 40 Cb 0.06 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.38 2.88 -1.86 2.13 0.40 -0.02 -4.90 117.98 115.23 1b2i s PHE 41 Ca 0.24 -2.00 0.23 0.00 -0.60 0.00 0.00 56.93 54.80 1b2i s PHE 41 Cb 0.16 -1.80 1.30 0.00 0.51 0.00 0.00 43.02 43.18 1b2i s PHE 41 CO 0.23 -0.82 1.72 -0.35 0.70 0.00 0.00 175.22 176.70 1b2i n PRO 42 N 4.55 0.61 -1.23 0.24 -0.04 -1.26 -4.85 135.00 133.03 1b2i n PRO 42 Ca -0.15 0.02 -0.29 0.00 -0.04 0.00 0.00 63.50 63.04 1b2i n PRO 42 Cb 0.44 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.61 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 -2.14 1.81 0.00 3.54 3.84 -1.26 -4.98 114.94 115.75 1b2i s ASN 43 Ca 0.31 0.77 0.23 0.00 0.21 0.00 0.00 52.86 54.38 1b2i s ASN 43 Cb 0.15 -1.15 0.06 0.00 -0.55 0.00 0.00 41.25 39.77 1b2i s ASN 43 CO 0.28 -3.59 1.14 2.29 -2.79 0.00 0.00 177.10 174.43 1b2i n LYS 44 N -4.42 1.21 0.00 0.43 0.00 -1.26 -4.80 118.16 109.32 1b2i n LYS 44 Ca 0.10 -0.98 0.00 0.00 -0.00 0.00 0.00 58.31 57.43 1b2i n LYS 44 Cb 0.59 -1.48 0.00 0.00 -0.00 0.00 0.00 35.03 34.14 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 -0.04 0.00 -4.64 -5.58 6.94 -1.26 -4.81 115.26 105.87 1b2i n ASN 45 Ca 0.10 0.19 -0.33 0.00 -0.02 0.00 0.00 54.58 54.52 1b2i n ASN 45 Cb 0.46 0.00 0.14 0.00 -2.36 0.00 0.00 39.78 38.02 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 -0.29 3.38 0.00 -4.53 7.99 -1.26 -4.98 117.00 117.31 1b2i n LEU 46 Ca 0.00 0.51 0.00 0.00 -0.01 0.00 0.00 56.01 56.51 1b2i n LEU 46 Cb 0.00 -1.45 0.00 0.00 -0.11 0.00 0.00 43.42 41.86 1b2i n LEU 46 CO 0.00 -2.13 0.00 1.17 -1.51 0.00 0.00 177.39 174.92 1b2i n LYS 47 N -3.21 0.00 0.00 3.23 4.81 -1.26 -5.00 118.16 116.73 1b2i n LYS 47 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1b2i n LYS 47 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 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 5.02 -1.26 -4.13 118.16 119.43 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 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 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 0.00 0.29 -4.56 4.39 6.94 -1.26 -0.41 115.26 120.65 1b2i n ASN 49 Ca 0.00 -0.61 -0.46 0.00 -0.02 0.00 0.00 54.58 53.48 1b2i n ASN 49 Cb 0.00 0.49 -0.02 0.00 -2.36 0.00 0.00 39.78 37.88 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 -0.49 1.01 -1.79 -2.53 4.01 -1.26 -4.72 117.16 111.39 1b2i n TYR 50 Ca 0.00 0.74 -0.40 0.00 -0.16 0.00 0.00 57.90 58.08 1b2i n TYR 50 Cb 0.02 -2.21 0.02 0.00 -0.31 0.00 0.00 39.34 36.85 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 -0.15 0.72 -3.07 0.00 5.12 0.15 -4.69 116.66 114.74 1b2i n ARG 52 Ca 0.05 -0.04 -0.17 0.00 -1.93 0.00 0.00 57.85 55.76 1b2i n ARG 52 Cb 0.41 0.02 -0.01 0.00 -1.16 0.00 0.00 32.46 31.73 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 -2.27 -0.26 -0.32 0.55 3.02 -1.26 -0.56 115.26 114.16 1b2i n ASN 53 Ca -0.00 -3.08 -0.01 0.00 -0.03 0.00 0.00 54.58 51.46 1b2i n ASN 53 Cb 0.01 0.07 0.12 0.00 -0.61 0.00 0.00 39.78 39.36 1b2i n ASN 53 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1b2i h PRO 54 N 3.35 1.05 -0.39 3.52 0.11 -1.92 0.28 132.00 138.00 1b2i h PRO 54 Ca 0.03 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1b2i h PRO 54 Cb 0.98 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1b2i h PRO 54 CO 0.41 0.69 0.00 -0.40 -0.21 0.00 0.00 178.00 178.49 1b2i n ASP 55 N -4.55 3.01 -3.67 -2.05 5.68 -1.26 -4.98 116.55 108.73 1b2i n ASP 55 Ca 0.11 -1.93 -0.25 0.00 -0.50 0.00 0.00 54.79 52.22 1b2i n ASP 55 Cb 0.10 -0.25 0.01 0.00 -1.14 0.00 0.00 41.12 39.84 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 1.18 -0.89 -1.05 0.11 0.00 0.09 -4.99 116.66 111.11 1b2i n ARG 56 Ca 0.19 0.32 -0.23 0.00 -0.00 0.00 0.00 57.85 58.13 1b2i n ARG 56 Cb 0.52 -1.63 0.18 0.00 -0.00 0.00 0.00 32.46 31.54 1b2i n ARG 56 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1b2i n GLU 57 N -2.81 -2.01 0.00 2.89 2.13 -1.26 -5.06 120.64 114.51 1b2i n GLU 57 Ca -0.19 -1.43 0.00 0.00 0.66 0.00 0.00 57.16 56.20 1b2i n GLU 57 Cb 0.49 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 31.02 1b2i n GLU 57 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1b2i n LEU 58 N 0.00 0.00 -4.70 4.31 7.94 -1.26 -4.77 117.00 118.52 1b2i n LEU 58 Ca 0.12 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.60 1b2i n LEU 58 Cb 0.45 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.37 1b2i n LEU 58 CO 0.32 0.00 1.43 -0.60 -1.11 0.00 0.00 177.39 177.42 1b2i s ARG 59 N 0.00 4.15 0.23 1.96 3.52 -1.25 -4.18 118.95 123.38 1b2i s ARG 59 Ca 0.00 2.55 -0.30 0.00 -0.13 0.00 0.00 55.73 57.84 1b2i s ARG 59 Cb 0.00 -3.50 -0.10 0.00 -1.56 0.00 0.00 34.95 29.79 1b2i s ARG 59 CO 0.00 -0.80 1.50 -1.25 -0.81 0.00 0.00 175.30 173.94 1b2i s PRO 61 N 2.43 4.23 0.36 5.12 0.04 -1.25 -4.63 135.00 141.29 1b2i s PRO 61 Ca 0.79 2.37 0.09 0.00 0.04 0.00 0.00 61.00 64.28 1b2i s PRO 61 Cb -0.46 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 30.91 1b2i s PRO 61 CO 0.35 -0.51 -0.05 1.67 0.04 0.00 0.00 177.00 178.50 1b2i s TRP 62 N 0.32 2.45 0.23 0.56 1.48 0.27 -0.16 118.94 124.09 1b2i s TRP 62 Ca 0.63 -0.52 -0.16 0.00 -1.06 0.00 0.00 56.10 54.99 1b2i s TRP 62 Cb -0.43 -1.49 0.01 0.00 -1.16 0.00 0.00 33.47 30.40 1b2i s TRP 62 CO 0.41 0.53 0.52 0.00 -4.06 0.00 0.00 176.95 174.36 1b2i s PHE 64 N -3.94 3.10 0.52 0.00 0.08 -1.26 -1.28 117.98 115.19 1b2i s PHE 64 Ca 0.15 1.59 0.03 0.00 0.12 0.00 0.00 56.93 58.83 1b2i s PHE 64 Cb -0.01 -3.02 0.03 0.00 -0.57 0.00 0.00 43.02 39.45 1b2i s PHE 64 CO 0.04 -0.62 0.72 0.95 -0.10 0.00 0.00 175.22 176.20 1b2i s THR 65 N -2.00 2.75 -1.47 0.64 -4.23 0.24 -0.43 115.64 111.13 1b2i s THR 65 Ca 0.65 -0.77 0.27 0.00 -1.18 0.00 0.00 61.69 60.66 1b2i s THR 65 Cb -0.15 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.00 1b2i s THR 65 CO 0.19 0.00 1.69 0.35 -0.54 0.00 0.00 174.62 176.31 1b2i n THR 66 N -2.20 0.00 -2.61 3.99 -2.24 -1.01 -4.16 114.28 106.05 1b2i n THR 66 Ca 0.08 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 1b2i n THR 66 Cb 0.60 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.65 7.38 0.00 3.42 -1.08 -1.26 -4.92 116.67 117.56 1b2i s ASP 67 Ca 0.22 1.96 0.19 0.00 -0.52 0.00 0.00 52.55 54.40 1b2i s ASP 67 Cb 0.19 -2.60 1.11 0.00 -1.46 0.00 0.00 42.92 40.16 1b2i s ASP 67 CO 0.54 -0.14 1.52 -0.81 0.52 0.00 0.00 175.17 176.80 1b2i n PRO 68 N 2.52 0.56 0.00 4.34 -0.04 -1.26 -3.06 135.00 138.07 1b2i n PRO 68 Ca 0.02 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1b2i n PRO 68 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.02 4.80 -4.46 3.54 5.03 -1.26 -4.93 115.26 116.95 1b2i n ASN 69 Ca 0.14 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.15 1b2i n ASN 69 Cb 0.07 0.42 -0.05 0.00 -1.02 0.00 0.00 39.78 39.21 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 -1.99 3.17 0.00 3.52 2.47 -1.17 -4.96 119.74 120.79 1b2i s LYS 70 Ca 0.00 -0.73 0.00 0.00 -1.56 0.00 0.00 55.97 53.68 1b2i s LYS 70 Cb 0.00 -4.14 0.00 0.00 -1.46 0.00 0.00 37.83 32.23 1b2i s LYS 70 CO 0.00 -1.52 0.00 -2.13 0.16 0.00 0.00 175.35 171.86 1b2i n ARG 71 N 7.05 0.00 -3.01 4.03 0.63 -1.26 -3.70 116.66 120.39 1b2i n ARG 71 Ca -0.04 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.66 1b2i n ARG 71 Cb 0.46 -0.31 0.01 0.00 0.45 0.00 0.00 32.46 33.06 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 0.00 3.29 -0.21 -0.14 1.48 -1.26 -0.59 118.94 121.51 1b2i s TRP 72 Ca 0.00 0.29 -0.28 0.00 -1.06 0.00 0.00 56.10 55.06 1b2i s TRP 72 Cb 0.00 -2.25 0.11 0.00 -1.16 0.00 0.00 33.47 30.17 1b2i s TRP 72 CO 0.00 -0.29 0.94 -2.00 -4.06 0.00 0.00 176.95 171.54 1b2i s GLU 73 N -4.54 0.65 0.09 3.25 2.12 -0.41 -4.83 118.70 115.03 1b2i s GLU 73 Ca 0.47 0.44 -0.31 0.00 0.36 0.00 0.00 54.97 55.93 1b2i s GLU 73 Cb -0.10 0.31 -0.06 0.00 0.26 0.00 0.00 34.13 34.54 1b2i s GLU 73 CO 0.38 -0.14 1.22 -0.51 -0.54 0.00 0.00 175.26 175.67 1b2i s LEU 74 N -0.41 4.38 0.84 2.70 1.43 -1.26 -1.71 118.68 124.65 1b2i s LEU 74 Ca -0.01 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.07 1b2i s LEU 74 Cb -0.03 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.75 1b2i s LEU 74 CO -0.01 -0.47 1.18 0.00 0.23 0.00 0.00 176.35 177.28 1b2i s ASP 76 N -4.74 4.18 0.07 0.00 -1.08 -0.99 -4.45 116.67 109.67 1b2i s ASP 76 Ca 0.68 -1.27 0.07 0.00 -0.52 0.00 0.00 52.55 51.51 1b2i s ASP 76 Cb -0.07 -1.48 -0.04 0.00 -1.46 0.00 0.00 42.92 39.88 1b2i s ASP 76 CO 0.49 -0.17 -0.16 -0.63 0.52 0.00 0.00 175.17 175.22 1b2i s ILE 77 N 1.17 2.97 0.11 4.11 1.09 -1.26 -4.82 121.20 124.57 1b2i s ILE 77 Ca -0.07 -1.25 -0.33 0.00 -1.10 0.00 0.00 60.65 57.91 1b2i s ILE 77 Cb -0.19 -2.31 -0.12 0.00 -1.06 0.00 0.00 42.46 38.79 1b2i s ILE 77 CO -0.06 0.24 1.76 -2.65 -0.10 0.00 0.00 174.94 174.13 1b2i n PRO 78 N 1.22 2.51 -2.53 2.79 -0.02 -1.26 -4.90 135.00 132.81 1b2i n PRO 78 Ca -0.16 0.91 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 1b2i n PRO 78 Cb 0.52 -2.76 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 1b2i n PRO 78 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1b2i s ARG 79 N 2.24 4.04 -1.21 -0.52 6.06 -1.26 -1.09 118.95 127.21 1b2i s ARG 79 Ca 0.82 1.49 -0.20 0.00 -2.50 0.00 0.00 55.73 55.34 1b2i s ARG 79 Cb -0.57 -2.41 -0.02 0.00 0.06 0.00 0.00 34.95 32.00 1b2i s ARG 79 CO 0.39 -0.24 1.88 0.00 -2.50 0.00 0.00 175.30 174.83