#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3y s VAL 2 N 0.00 2.52 0.05 2.03 0.11 -1.26 -5.08 120.40 118.77 2k3y s VAL 2 Ca 0.00 0.17 -0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2k3y s VAL 2 Cb 0.00 -2.39 -0.04 0.00 -1.53 0.00 0.00 36.38 32.42 2k3y s VAL 2 CO 0.00 -0.22 -0.04 -0.62 -3.33 0.00 0.00 175.10 170.89 2k3y s ASP 3 N -2.97 0.55 0.00 3.54 2.15 -1.26 -4.84 116.67 113.85 2k3y s ASP 3 Ca 0.65 -0.89 0.00 0.00 0.43 0.00 0.00 52.55 52.74 2k3y s ASP 3 Cb -0.21 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.57 2k3y s ASP 3 CO 0.58 -0.51 0.00 -0.11 -0.17 0.00 0.00 175.17 174.96 2k3y n LEU 4 N 0.43 0.00 0.31 -1.34 0.00 -1.26 -4.30 117.00 110.84 2k3y n LEU 4 Ca -0.16 0.00 0.19 0.00 0.00 0.00 0.00 56.01 56.04 2k3y n LEU 4 Cb 0.60 0.00 1.04 0.00 0.00 0.00 0.00 43.42 45.06 2k3y n LEU 4 CO 0.26 0.00 1.14 -0.33 0.00 0.00 0.00 177.39 178.47 2k3y h GLU 5 N 0.00 0.00 -0.25 1.96 5.08 -1.94 -1.71 114.58 117.72 2k3y h GLU 5 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2k3y h GLU 5 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k3y h GLU 5 CO 0.00 0.01 0.20 0.37 -1.00 0.00 0.00 179.01 178.59 2k3y h GLN 6 N 0.00 0.00 -7.19 2.33 4.15 -1.78 -3.43 115.11 109.18 2k3y h GLN 6 Ca -0.00 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.92 2k3y h GLN 6 Cb 0.04 0.00 0.07 0.00 0.21 0.00 0.00 27.48 27.81 2k3y h GLN 6 CO 0.00 0.00 0.38 -1.21 -1.93 0.00 0.00 178.83 176.07 2k3y s GLU 7 N -4.90 3.19 0.16 1.69 2.02 -0.64 -4.39 118.70 115.83 2k3y s GLU 7 Ca -0.05 1.27 -0.33 0.00 0.02 0.00 0.00 54.97 55.89 2k3y s GLU 7 Cb 0.17 -2.01 -0.13 0.00 0.10 0.00 0.00 34.13 32.27 2k3y s GLU 7 CO 0.65 -0.93 1.69 1.97 0.02 0.00 0.00 175.26 178.67 2k3y n PHE 8 N -2.09 2.53 -5.01 1.61 1.16 -1.26 -4.74 117.46 109.65 2k3y n PHE 8 Ca 0.09 0.10 -0.28 0.00 -1.87 0.00 0.00 57.45 55.49 2k3y n PHE 8 Cb 0.53 -2.63 -0.16 0.00 -1.61 0.00 0.00 39.48 35.60 2k3y n PHE 8 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k3y s ALA 9 N 1.43 1.77 -1.63 1.98 0.00 -1.26 -5.02 121.76 119.03 2k3y s ALA 9 Ca 0.78 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2k3y s ALA 9 Cb -0.58 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2k3y s ALA 9 CO 0.36 0.36 0.68 -0.11 0.00 0.00 0.00 175.76 177.05 2k3y n LEU 10 N 2.94 0.00 -1.01 0.00 0.00 -1.26 -1.38 117.00 116.28 2k3y n LEU 10 Ca -0.17 0.18 -0.06 0.00 0.00 0.00 0.00 56.01 55.96 2k3y n LEU 10 Cb 0.53 -0.18 -0.06 0.00 0.00 0.00 0.00 43.42 43.71 2k3y n LEU 10 CO 0.25 -0.18 0.33 0.61 0.00 0.00 0.00 177.39 178.39 2k3y n GLY 11 N -1.18 0.45 0.00 -3.96 0.00 -1.26 -4.21 105.19 95.03 2k3y n GLY 11 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2k3y n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 12 N -0.06 -0.54 3.93 -0.02 0.00 -0.48 -4.96 105.19 103.07 2k3y n GLY 12 Ca -0.25 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 43.77 2k3y n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k3y s ARG 13 N -2.43 3.52 0.23 1.61 0.52 -1.26 -4.04 118.95 117.10 2k3y s ARG 13 Ca 0.00 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 2k3y s ARG 13 Cb 0.00 -2.72 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 2k3y s ARG 13 CO 0.00 0.25 0.02 0.14 0.02 0.00 0.00 175.30 175.73 2k3y s VAL 14 N -2.13 0.89 -0.01 3.52 -7.23 -0.61 -0.52 120.40 114.32 2k3y s VAL 14 Ca 0.40 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 2k3y s VAL 14 Cb -0.10 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 2k3y s VAL 14 CO 0.32 -0.26 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.99 2k3y s LEU 15 N -3.30 2.01 -0.01 1.32 2.01 0.11 -0.75 118.68 120.07 2k3y s LEU 15 Ca 0.30 -0.19 0.01 0.00 0.01 0.00 0.00 54.13 54.26 2k3y s LEU 15 Cb 0.06 -0.53 0.01 0.00 0.01 0.00 0.00 46.19 45.74 2k3y s LEU 15 CO 0.09 0.12 -0.02 0.00 1.01 0.00 0.00 176.35 177.56 2k3y s ALA 16 N -0.22 0.28 -0.35 4.21 0.00 -0.56 -0.94 121.76 124.19 2k3y s ALA 16 Ca 0.04 0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 2k3y s ALA 16 Cb -0.04 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2k3y s ALA 16 CO -0.00 0.00 0.16 0.12 0.00 0.00 0.00 175.76 176.04 2k3y s PHE 17 N 0.41 3.22 0.05 0.00 5.36 -0.95 -0.91 117.98 125.16 2k3y s PHE 17 Ca -0.04 -1.00 -0.04 0.00 -0.96 0.00 0.00 56.93 54.89 2k3y s PHE 17 Cb -0.07 -2.37 -0.28 0.00 -0.34 0.00 0.00 43.02 39.97 2k3y s PHE 17 CO -0.01 -0.62 1.04 0.45 -1.46 0.00 0.00 175.22 174.62 2k3y h HIS 18 N 8.35 0.48 0.00 10.12 3.86 -1.36 -3.45 115.15 133.14 2k3y h HIS 18 Ca -0.27 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.59 2k3y h HIS 18 Cb 1.11 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.56 2k3y h HIS 18 CO 0.59 1.31 0.00 0.41 0.86 0.00 0.00 177.93 181.10 2k3y n GLY 19 N 1.58 -1.05 0.14 2.45 0.00 -1.26 -4.94 105.19 102.11 2k3y n GLY 19 Ca -0.11 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2k3y n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y h PRO 20 N 0.00 0.00 -3.75 1.61 0.13 -1.97 -3.47 132.00 124.55 2k3y h PRO 20 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2k3y h PRO 20 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2k3y h PRO 20 CO 0.00 0.60 -0.14 -1.17 -0.23 0.00 0.00 178.00 177.06 2k3y s LEU 21 N -7.23 0.46 0.02 1.56 0.20 -1.26 -3.89 118.68 108.54 2k3y s LEU 21 Ca -0.00 -1.05 0.03 0.00 0.69 0.00 0.00 54.13 53.79 2k3y s LEU 21 Cb 0.11 1.69 -0.02 0.00 -0.43 0.00 0.00 46.19 47.55 2k3y s LEU 21 CO 0.75 -1.17 -0.09 -0.32 -0.29 0.00 0.00 176.35 175.23 2k3y s MET 22 N -3.80 0.62 0.13 1.98 -2.45 -1.26 -0.88 119.30 113.64 2k3y s MET 22 Ca 0.24 -0.53 0.03 0.00 -1.25 0.00 0.00 55.69 54.18 2k3y s MET 22 Cb -0.00 -0.54 -0.04 0.00 1.25 0.00 0.00 34.83 35.49 2k3y s MET 22 CO 0.11 0.13 -0.09 0.71 1.05 0.00 0.00 175.02 176.94 2k3y s TYR 23 N -0.73 1.12 0.40 4.11 2.02 -0.09 -4.96 117.35 119.22 2k3y s TYR 23 Ca -0.02 -0.82 -0.24 0.00 -0.37 0.00 0.00 57.07 55.62 2k3y s TYR 23 Cb -0.06 -0.59 -0.09 0.00 -0.40 0.00 0.00 41.96 40.82 2k3y s TYR 23 CO 0.00 -0.01 1.07 -1.21 -1.57 0.00 0.00 175.55 173.83 2k3y s GLU 24 N -3.78 4.13 0.08 -0.62 2.02 -1.26 -1.50 118.70 117.77 2k3y s GLU 24 Ca 0.15 1.56 0.01 0.00 0.02 0.00 0.00 54.97 56.71 2k3y s GLU 24 Cb 0.04 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 2k3y s GLU 24 CO -0.01 -0.18 -0.05 0.00 0.02 0.00 0.00 175.26 175.03 2k3y s ALA 25 N -1.62 0.78 -0.34 5.21 0.00 0.07 -1.05 121.76 124.81 2k3y s ALA 25 Ca 0.58 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 51.32 2k3y s ALA 25 Cb -0.23 0.19 0.16 0.00 0.00 0.00 0.00 23.12 23.23 2k3y s ALA 25 CO 0.29 -0.26 0.40 0.21 0.00 0.00 0.00 175.76 176.40 2k3y s LYS 26 N -3.66 0.55 0.64 0.00 2.36 -0.69 -1.58 119.74 117.36 2k3y s LYS 26 Ca 0.08 -0.41 -0.18 0.00 -2.55 0.00 0.00 55.97 52.91 2k3y s LYS 26 Cb 0.05 -0.51 -0.02 0.00 -1.05 0.00 0.00 37.83 36.30 2k3y s LYS 26 CO -0.06 -1.13 1.24 -0.89 1.55 0.00 0.00 175.35 176.06 2k3y n ILE 27 N 4.74 4.74 0.00 5.43 5.41 -1.26 -1.46 119.36 136.96 2k3y n ILE 27 Ca 0.06 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.31 2k3y n ILE 27 Cb 0.48 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 37.97 2k3y n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k3y n LEU 28 N -1.69 0.00 -4.17 1.39 -0.00 -0.86 -4.33 117.00 107.34 2k3y n LEU 28 Ca 0.15 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.91 2k3y n LEU 28 Cb 0.48 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.74 2k3y n LEU 28 CO 0.48 0.00 -0.51 -0.75 -0.00 0.00 0.00 177.39 176.61 2k3y s LYS 29 N -0.43 1.54 0.13 1.47 2.20 -1.23 -2.53 119.74 120.90 2k3y s LYS 29 Ca 0.00 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 54.94 2k3y s LYS 29 Cb 0.00 -1.46 -0.04 0.00 -1.51 0.00 0.00 37.83 34.82 2k3y s LYS 29 CO 0.00 0.37 0.09 0.96 -0.36 0.00 0.00 175.35 176.41 2k3y s ILE 30 N -0.36 0.10 0.04 5.43 -4.36 0.27 -0.30 121.20 122.02 2k3y s ILE 30 Ca 0.05 -1.83 -0.14 0.00 -0.26 0.00 0.00 60.65 58.47 2k3y s ILE 30 Cb -0.08 -2.01 0.02 0.00 1.25 0.00 0.00 42.46 41.65 2k3y s ILE 30 CO -0.00 -0.45 0.30 0.86 0.24 0.00 0.00 174.94 175.89 2k3y s TRP 31 N -4.03 -0.10 -0.11 1.37 -0.11 0.11 -1.02 118.94 115.05 2k3y s TRP 31 Ca 0.23 -0.03 -0.11 0.00 1.22 0.00 0.00 56.10 57.40 2k3y s TRP 31 Cb 0.07 0.09 0.03 0.00 -1.50 0.00 0.00 33.47 32.16 2k3y s TRP 31 CO 0.01 -0.50 0.31 0.34 -4.62 0.00 0.00 176.95 172.50 2k3y s ASP 32 N -2.04 -0.31 0.03 5.86 -1.08 -1.25 -1.57 116.67 116.32 2k3y s ASP 32 Ca -0.05 0.56 0.12 0.00 -0.52 0.00 0.00 52.55 52.66 2k3y s ASP 32 Cb -0.01 0.60 0.50 0.00 -1.46 0.00 0.00 42.92 42.55 2k3y s ASP 32 CO -0.03 -0.15 1.37 -0.81 0.52 0.00 0.00 175.17 176.07 2k3y n PRO 33 N 2.72 0.02 0.06 4.34 -0.04 -1.25 -1.76 135.00 139.09 2k3y n PRO 33 Ca -0.14 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2k3y n PRO 33 Cb 0.58 -1.54 0.31 0.00 -0.04 0.00 0.00 33.50 32.81 2k3y n PRO 33 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k3y h SER 34 N 0.00 0.36 0.00 3.54 0.02 -1.94 -3.19 113.55 112.33 2k3y h SER 34 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2k3y h SER 34 Cb 0.19 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2k3y h SER 34 CO 0.00 0.52 -0.62 -1.54 -1.14 0.00 0.00 176.83 174.05 2k3y n SER 35 N -4.23 3.12 -3.85 3.07 3.41 -1.24 -5.03 113.62 108.88 2k3y n SER 35 Ca 0.00 -0.18 -0.27 0.00 -0.26 0.00 0.00 58.87 58.15 2k3y n SER 35 Cb 0.30 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 65.24 2k3y n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k3y n LYS 36 N -1.30 -2.74 -3.78 4.33 5.02 -0.72 -5.01 118.16 113.96 2k3y n LYS 36 Ca 0.00 0.43 -0.12 0.00 -2.02 0.00 0.00 58.31 56.61 2k3y n LYS 36 Cb 0.00 -4.41 -0.08 0.00 -0.02 0.00 0.00 35.03 30.52 2k3y n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2k3y s MET 37 N -6.35 0.75 0.50 1.97 -1.94 -1.25 -4.80 119.30 108.18 2k3y s MET 37 Ca 0.16 -0.49 0.09 0.00 -1.71 0.00 0.00 55.69 53.74 2k3y s MET 37 Cb -0.06 0.32 0.05 0.00 2.01 0.00 0.00 34.83 37.15 2k3y s MET 37 CO 0.88 -0.23 0.66 1.52 -0.01 0.00 0.00 175.02 177.84 2k3y s TYR 38 N -2.35 2.09 0.02 -0.03 1.13 -1.25 -3.80 117.35 113.16 2k3y s TYR 38 Ca -0.06 -0.57 -0.06 0.00 -1.41 0.00 0.00 57.07 54.96 2k3y s TYR 38 Cb -0.02 -2.27 -0.00 0.00 -1.10 0.00 0.00 41.96 38.56 2k3y s TYR 38 CO -0.02 -0.77 0.11 0.95 -2.51 0.00 0.00 175.55 173.31 2k3y s THR 39 N -2.52 0.10 0.11 -3.49 -4.23 -0.19 -4.03 115.64 101.40 2k3y s THR 39 Ca 0.57 -0.86 -0.10 0.00 -1.18 0.00 0.00 61.69 60.13 2k3y s THR 39 Cb -0.07 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.16 2k3y s THR 39 CO 0.35 -0.47 0.23 -0.55 -0.54 0.00 0.00 174.62 173.64 2k3y s SER 40 N -1.69 0.07 0.09 3.99 0.15 -1.26 -0.57 113.70 114.48 2k3y s SER 40 Ca -0.11 -0.66 -0.10 0.00 0.70 0.00 0.00 55.95 55.78 2k3y s SER 40 Cb -0.05 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2k3y s SER 40 CO -0.01 -0.78 0.22 0.27 1.20 0.00 0.00 173.24 174.14 2k3y s ILE 41 N -3.88 0.13 -0.76 6.45 -4.36 -1.05 -1.34 121.20 116.40 2k3y s ILE 41 Ca 0.07 -1.07 -0.25 0.00 -0.26 0.00 0.00 60.65 59.13 2k3y s ILE 41 Cb 0.04 -1.27 -0.04 0.00 1.25 0.00 0.00 42.46 42.44 2k3y s ILE 41 CO -0.09 -0.59 1.94 -2.16 0.24 0.00 0.00 174.94 174.28 2k3y s PRO 42 N -3.71 2.53 0.00 0.37 0.04 -1.25 -4.51 135.00 128.47 2k3y s PRO 42 Ca 0.04 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.27 2k3y s PRO 42 Cb 0.04 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.84 2k3y s PRO 42 CO -0.10 -3.13 0.00 -1.71 0.04 0.00 0.00 177.00 172.09 2k3y n ASN 43 N 13.69 0.00 -3.14 6.66 2.85 -1.26 -5.01 115.26 129.05 2k3y n ASN 43 Ca 0.32 -0.54 -0.12 0.00 -0.11 0.00 0.00 54.58 54.13 2k3y n ASN 43 Cb 0.49 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.50 2k3y n ASN 43 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2k3y s ASP 44 N 0.00 0.57 -0.41 1.20 2.15 -1.26 -5.04 116.67 113.88 2k3y s ASP 44 Ca 0.00 -1.35 0.08 0.00 0.43 0.00 0.00 52.55 51.71 2k3y s ASP 44 Cb 0.00 0.73 0.25 0.00 -0.30 0.00 0.00 42.92 43.60 2k3y s ASP 44 CO 0.00 -1.44 0.61 0.29 -0.17 0.00 0.00 175.17 174.45 2k3y n LYS 45 N -0.55 0.73 0.11 4.34 5.02 -1.26 -1.27 118.16 125.28 2k3y n LYS 45 Ca -0.03 -2.90 0.19 0.00 -2.02 0.00 0.00 58.31 53.55 2k3y n LYS 45 Cb 0.61 -1.28 0.76 0.00 -0.02 0.00 0.00 35.03 35.10 2k3y n LYS 45 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2k3y h PRO 46 N 3.97 0.00 0.00 1.97 0.10 -1.87 -3.46 132.00 132.70 2k3y h PRO 46 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.12 2k3y h PRO 46 Cb 0.92 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.02 2k3y h PRO 46 CO 0.43 0.00 0.00 0.41 0.10 0.00 0.00 178.00 178.94 2k3y n GLY 47 N -1.50 3.11 0.20 -0.55 0.00 -1.26 -4.83 105.19 100.36 2k3y n GLY 47 Ca 0.06 -1.04 0.14 0.00 0.00 0.00 0.00 46.02 45.18 2k3y n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k3y h GLY 48 N 0.00 0.00 -5.39 -0.02 0.00 -2.00 -3.42 103.07 92.24 2k3y h GLY 48 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2k3y h GLY 48 CO 0.00 0.00 -0.67 -0.56 0.00 0.00 0.00 176.54 175.31 2k3y s SER 49 N -4.75 0.01 0.43 0.19 0.01 -1.26 -5.06 113.70 103.26 2k3y s SER 49 Ca 0.02 -0.03 0.12 0.00 1.31 0.00 0.00 55.95 57.37 2k3y s SER 49 Cb 0.09 0.09 0.92 0.00 0.21 0.00 0.00 66.02 67.34 2k3y s SER 49 CO 0.42 -0.08 1.97 0.28 0.41 0.00 0.00 173.24 176.24 2k3y h SER 50 N 5.75 0.11 -5.02 2.44 0.02 -1.93 -3.30 113.55 111.62 2k3y h SER 50 Ca -0.26 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 2k3y h SER 50 Cb 1.21 -0.03 -0.12 0.00 0.14 0.00 0.00 62.40 63.60 2k3y h SER 50 CO 0.47 0.26 0.16 0.00 -1.14 0.00 0.00 176.83 176.57 2k3y s GLN 51 N -4.73 1.26 0.25 3.45 -2.07 -1.26 -4.68 119.66 111.88 2k3y s GLN 51 Ca -0.05 -0.54 -0.30 0.00 -1.82 0.00 0.00 55.36 52.66 2k3y s GLN 51 Cb 0.16 0.57 -0.09 0.00 -1.09 0.00 0.00 33.01 32.55 2k3y s GLN 51 CO 0.71 -0.54 1.21 0.00 -1.32 0.00 0.00 175.29 175.35 2k3y s ALA 52 N -3.77 3.46 -0.31 2.60 0.00 -0.39 -4.93 121.76 118.41 2k3y s ALA 52 Ca 0.02 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.02 2k3y s ALA 52 Cb -0.01 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.78 2k3y s ALA 52 CO -0.12 -0.39 -0.01 0.99 0.00 0.00 0.00 175.76 176.23 2k3y s THR 53 N -0.60 2.44 0.00 0.00 2.01 -1.26 -4.10 115.64 114.13 2k3y s THR 53 Ca 0.50 -1.87 0.00 0.00 0.31 0.00 0.00 61.69 60.63 2k3y s THR 53 Cb -0.35 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.59 2k3y s THR 53 CO 0.42 -0.29 0.00 0.29 -0.69 0.00 0.00 174.62 174.34 2k3y n LYS 54 N 4.42 0.00 -1.88 4.92 5.02 -1.26 -4.28 118.16 125.10 2k3y n LYS 54 Ca -0.07 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.84 2k3y n LYS 54 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.40 2k3y n LYS 54 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k3y s GLU 55 N 0.00 2.60 0.25 1.97 2.02 -1.26 -3.87 118.70 120.41 2k3y s GLU 55 Ca 0.00 1.02 -0.30 0.00 0.02 0.00 0.00 54.97 55.72 2k3y s GLU 55 Cb 0.00 -4.41 -0.09 0.00 0.10 0.00 0.00 34.13 29.73 2k3y s GLU 55 CO 0.00 -2.73 1.13 0.42 0.02 0.00 0.00 175.26 174.10 2k3y s ILE 56 N 9.61 3.54 0.30 -1.63 1.01 -0.45 -4.98 121.20 128.59 2k3y s ILE 56 Ca 0.79 1.45 -0.29 0.00 0.00 0.00 0.00 60.65 62.60 2k3y s ILE 56 Cb -0.16 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.28 2k3y s ILE 56 CO 0.25 0.31 1.34 -0.54 0.00 0.00 0.00 174.94 176.30 2k3y s LYS 57 N -1.04 4.33 0.13 2.79 3.01 -1.26 -4.25 119.74 123.45 2k3y s LYS 57 Ca 0.47 2.23 -0.30 0.00 -1.01 0.00 0.00 55.97 57.35 2k3y s LYS 57 Cb -0.32 -3.09 -0.07 0.00 -1.01 0.00 0.00 37.83 33.34 2k3y s LYS 57 CO 0.40 -0.26 1.24 -1.25 0.51 0.00 0.00 175.35 175.99 2k3y s PRO 58 N -1.26 4.44 0.16 -1.68 0.04 -1.26 -4.90 135.00 130.54 2k3y s PRO 58 Ca 0.52 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2k3y s PRO 58 Cb -0.40 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 2k3y s PRO 58 CO 0.49 -0.21 0.03 -0.65 0.04 0.00 0.00 177.00 176.70 2k3y s GLN 59 N 0.43 1.05 0.67 4.56 -0.21 -1.26 -4.96 119.66 119.94 2k3y s GLN 59 Ca 0.57 -1.51 -0.16 0.00 0.02 0.00 0.00 55.36 54.28 2k3y s GLN 59 Cb -0.33 -0.03 0.01 0.00 1.00 0.00 0.00 33.01 33.66 2k3y s GLN 59 CO 0.33 -0.20 1.16 0.21 -2.12 0.00 0.00 175.29 174.66 2k3y s LYS 60 N -3.99 2.63 0.02 2.91 2.47 -1.26 -3.77 119.74 118.76 2k3y s LYS 60 Ca 0.25 1.59 0.09 0.00 -1.56 0.00 0.00 55.97 56.33 2k3y s LYS 60 Cb 0.07 -1.91 -0.03 0.00 -1.46 0.00 0.00 37.83 34.50 2k3y s LYS 60 CO 0.04 -1.42 -0.26 -1.17 0.16 0.00 0.00 175.35 172.70 2k3y s LEU 61 N -4.79 2.14 0.00 5.43 0.20 -1.26 -4.87 118.68 115.53 2k3y s LEU 61 Ca 0.71 -0.54 0.00 0.00 0.69 0.00 0.00 54.13 54.99 2k3y s LEU 61 Cb -0.25 -1.32 0.00 0.00 -0.43 0.00 0.00 46.19 44.20 2k3y s LEU 61 CO 0.41 0.28 0.00 0.61 -0.29 0.00 0.00 176.35 177.36 2k3y n GLY 62 N 2.03 1.59 0.26 7.98 0.00 -1.26 -4.94 105.19 110.85 2k3y n GLY 62 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2k3y n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k3y h GLU 63 N 0.00 0.88 0.00 1.61 5.08 -2.00 -3.42 114.58 116.72 2k3y h GLU 63 Ca 0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2k3y h GLU 63 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2k3y h GLU 63 CO 0.00 1.12 0.00 -3.47 -1.00 0.00 0.00 179.01 175.66 2k3y n ASP 64 N -4.05 0.00 -0.56 1.42 2.03 -1.26 -4.92 116.55 109.22 2k3y n ASP 64 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2k3y n ASP 64 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2k3y n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k3y n GLU 65 N -0.74 0.34 -0.99 -0.67 0.00 -1.26 -4.92 120.64 112.40 2k3y n GLU 65 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 2k3y n GLU 65 Cb 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 31.44 30.21 2k3y n GLU 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2k3y n SER 66 N 0.39 -0.18 -4.22 -1.84 7.64 -1.26 -4.67 113.62 109.48 2k3y n SER 66 Ca 0.00 0.77 -0.26 0.00 1.01 0.00 0.00 58.87 60.39 2k3y n SER 66 Cb 0.09 -0.62 -0.15 0.00 -1.01 0.00 0.00 64.21 62.52 2k3y n SER 66 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2k3y s ILE 67 N -0.14 1.58 0.43 0.44 2.07 -1.26 -5.00 121.20 119.32 2k3y s ILE 67 Ca 0.57 -0.98 -0.24 0.00 -1.41 0.00 0.00 60.65 58.60 2k3y s ILE 67 Cb -0.80 -1.34 -0.08 0.00 0.13 0.00 0.00 42.46 40.36 2k3y s ILE 67 CO 0.38 0.34 1.13 -2.16 -1.91 0.00 0.00 174.94 172.73 2k3y s PRO 68 N -0.74 3.95 0.38 3.50 0.04 -1.26 -4.90 135.00 135.97 2k3y s PRO 68 Ca 0.07 1.72 0.21 0.00 0.04 0.00 0.00 61.00 63.04 2k3y s PRO 68 Cb -0.08 -2.52 1.14 0.00 0.04 0.00 0.00 34.50 33.08 2k3y s PRO 68 CO 0.00 -0.37 1.61 0.93 0.04 0.00 0.00 177.00 179.21 2k3y h GLU 69 N 2.34 0.00 0.00 4.56 5.08 -1.99 -0.87 114.58 123.69 2k3y h GLU 69 Ca -0.49 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 2k3y h GLU 69 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2k3y h GLU 69 CO 0.61 0.00 -0.12 0.93 -1.00 0.00 0.00 179.01 179.44 2k3y h GLU 70 N 0.00 0.00 0.00 2.33 5.08 -2.02 -3.31 114.58 116.66 2k3y h GLU 70 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k3y h GLU 70 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k3y h GLU 70 CO 0.00 0.12 -0.45 0.44 -1.00 0.00 0.00 179.01 178.12 2k3y n ILE 71 N -3.92 0.00 -0.30 3.13 -5.35 -0.36 -4.55 119.36 108.01 2k3y n ILE 71 Ca -0.02 -0.22 0.09 0.00 -0.27 0.00 0.00 62.75 62.33 2k3y n ILE 71 Cb 0.21 0.72 0.25 0.00 -1.74 0.00 0.00 39.64 39.08 2k3y n ILE 71 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2k3y h ILE 72 N 0.00 0.64 -0.12 7.28 1.08 -1.57 -2.49 117.51 122.34 2k3y h ILE 72 Ca 0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 2k3y h ILE 72 Cb 0.00 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 33.80 2k3y h ILE 72 CO 0.00 0.10 0.00 -0.46 -0.69 0.00 0.00 178.15 177.10 2k3y n ASN 73 N -4.93 0.73 -2.11 1.72 0.23 -1.25 -3.95 115.26 105.69 2k3y n ASN 73 Ca 0.19 -2.01 -0.07 0.00 -0.53 0.00 0.00 54.58 52.16 2k3y n ASN 73 Cb 0.51 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 2k3y n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3y n GLY 74 N 0.65 1.90 3.77 4.83 0.00 -0.94 -4.78 105.19 110.63 2k3y n GLY 74 Ca 0.04 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 2k3y n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3y s LYS 75 N -2.24 4.16 0.05 1.61 -0.14 -1.26 -4.06 119.74 117.86 2k3y s LYS 75 Ca 0.13 2.50 0.04 0.00 -1.36 0.00 0.00 55.97 57.27 2k3y s LYS 75 Cb -0.02 -3.00 -0.03 0.00 -1.68 0.00 0.00 37.83 33.11 2k3y s LYS 75 CO 0.09 -0.47 -0.11 -1.12 -0.76 0.00 0.00 175.35 172.98 2k3y s SER 76 N -0.15 1.27 -0.15 2.83 0.01 -0.61 -4.43 113.70 112.47 2k3y s SER 76 Ca 0.53 -0.55 -0.03 0.00 1.31 0.00 0.00 55.95 57.21 2k3y s SER 76 Cb -0.45 -0.02 0.05 0.00 0.21 0.00 0.00 66.02 65.81 2k3y s SER 76 CO 0.60 -0.12 0.04 -0.36 0.41 0.00 0.00 173.24 173.81 2k3y s PHE 77 N -1.24 0.70 -0.07 2.43 0.08 -0.72 -0.72 117.98 118.45 2k3y s PHE 77 Ca -0.05 -0.53 -0.30 0.00 0.12 0.00 0.00 56.93 56.18 2k3y s PHE 77 Cb -0.09 -0.87 -0.02 0.00 -0.57 0.00 0.00 43.02 41.46 2k3y s PHE 77 CO 0.01 -0.51 1.01 0.12 -0.10 0.00 0.00 175.22 175.76 2k3y s PHE 78 N 1.96 3.54 0.06 0.36 5.36 0.59 -1.64 117.98 128.22 2k3y s PHE 78 Ca 0.01 1.60 0.01 0.00 -0.96 0.00 0.00 56.93 57.60 2k3y s PHE 78 Cb -0.16 -3.18 -0.03 0.00 -0.34 0.00 0.00 43.02 39.31 2k3y s PHE 78 CO -0.07 -0.23 -0.06 0.96 -1.46 0.00 0.00 175.22 174.36 2k3y s ILE 79 N 1.69 0.52 -0.28 3.12 -4.36 -0.69 -2.02 121.20 119.17 2k3y s ILE 79 Ca 0.50 -1.46 -0.11 0.00 -0.26 0.00 0.00 60.65 59.32 2k3y s ILE 79 Cb -0.20 -1.08 -0.04 0.00 1.25 0.00 0.00 42.46 42.39 2k3y s ILE 79 CO 0.21 -0.65 0.18 -2.28 0.24 0.00 0.00 174.94 172.65 2k3y s HIS 80 N -2.51 3.20 -0.35 1.37 5.65 -0.54 -3.27 115.29 118.85 2k3y s HIS 80 Ca -0.01 0.02 -0.29 0.00 0.25 0.00 0.00 55.06 55.04 2k3y s HIS 80 Cb -0.02 -2.37 -0.00 0.00 -1.18 0.00 0.00 32.58 29.00 2k3y s HIS 80 CO -0.03 -0.20 1.49 0.71 -0.65 0.00 0.00 174.74 176.06 2k3y s TYR 81 N 1.74 2.31 0.42 3.88 2.02 -1.26 -1.70 117.35 124.75 2k3y s TYR 81 Ca 0.07 0.68 -0.17 0.00 -0.37 0.00 0.00 57.07 57.27 2k3y s TYR 81 Cb -0.16 -4.16 -0.09 0.00 -0.40 0.00 0.00 41.96 37.14 2k3y s TYR 81 CO 0.10 -2.24 0.89 -0.65 -1.57 0.00 0.00 175.55 172.08 2k3y s GLN 82 N 4.88 4.06 0.00 -0.62 -0.21 -0.22 -2.99 119.66 124.57 2k3y s GLN 82 Ca 0.65 0.90 0.00 0.00 0.02 0.00 0.00 55.36 56.93 2k3y s GLN 82 Cb -0.17 -2.25 0.00 0.00 1.00 0.00 0.00 33.01 31.59 2k3y s GLN 82 CO 0.31 -0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.84 2k3y n GLY 83 N -0.87 0.56 3.36 3.09 0.00 -1.26 -4.22 105.19 105.85 2k3y n GLY 83 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 2k3y n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k3y s TRP 84 N -2.59 1.77 0.66 1.61 0.52 -1.16 -5.02 118.94 114.73 2k3y s TRP 84 Ca 0.00 -1.56 -0.11 0.00 0.02 0.00 0.00 56.10 54.45 2k3y s TRP 84 Cb 0.00 -0.86 -0.01 0.00 -1.15 0.00 0.00 33.47 31.45 2k3y s TRP 84 CO 0.00 -0.70 1.05 0.15 0.02 0.00 0.00 176.95 177.47 2k3y s LYS 85 N -3.52 3.23 0.18 4.98 1.02 -1.26 -4.88 119.74 119.50 2k3y s LYS 85 Ca 0.35 0.81 0.23 0.00 0.02 0.00 0.00 55.97 57.37 2k3y s LYS 85 Cb 0.02 -2.03 0.90 0.00 -0.52 0.00 0.00 37.83 36.20 2k3y s LYS 85 CO 0.24 -0.85 1.69 0.43 -0.92 0.00 0.00 175.35 175.94 2k3y n SER 86 N -2.94 0.53 -0.11 2.83 7.64 -1.26 -2.98 113.62 117.33 2k3y n SER 86 Ca 0.07 0.61 0.20 0.00 1.01 0.00 0.00 58.87 60.76 2k3y n SER 86 Cb 0.54 -0.73 0.62 0.00 -1.01 0.00 0.00 64.21 63.64 2k3y n SER 86 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3y h SER 87 N 0.00 0.16 -0.28 6.43 0.02 -1.94 -2.09 113.55 115.84 2k3y h SER 87 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k3y h SER 87 Cb 0.42 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2k3y h SER 87 CO 0.00 0.07 0.00 0.79 -1.14 0.00 0.00 176.83 176.55 2k3y n TRP 88 N -4.40 0.37 -1.84 3.45 5.03 -1.16 -4.90 117.44 114.00 2k3y n TRP 88 Ca 0.14 -0.19 -0.43 0.00 3.03 0.00 0.00 57.50 60.06 2k3y n TRP 88 Cb 0.67 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.92 2k3y n TRP 88 CO 0.00 0.00 0.00 -0.51 -0.03 0.00 0.00 177.69 177.15 2k3y s ASP 89 N -1.23 6.20 0.19 -0.99 1.01 -0.79 -4.75 116.67 116.31 2k3y s ASP 89 Ca 0.28 2.09 -0.16 0.00 0.71 0.00 0.00 52.55 55.47 2k3y s ASP 89 Cb 0.15 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.57 2k3y s ASP 89 CO 0.21 -1.33 0.49 -0.70 0.21 0.00 0.00 175.17 174.04 2k3y s GLU 90 N 4.96 1.36 0.06 8.23 2.12 -1.20 -4.99 118.70 129.23 2k3y s GLU 90 Ca 0.84 -0.93 0.00 0.00 0.36 0.00 0.00 54.97 55.24 2k3y s GLU 90 Cb -0.33 0.50 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 2k3y s GLU 90 CO 0.35 -0.57 0.20 -1.58 -0.54 0.00 0.00 175.26 173.12 2k3y s TRP 91 N -3.89 3.48 0.14 5.30 0.52 -1.26 -1.70 118.94 121.52 2k3y s TRP 91 Ca 0.11 0.23 0.04 0.00 0.02 0.00 0.00 56.10 56.50 2k3y s TRP 91 Cb -0.00 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 2k3y s TRP 91 CO -0.02 0.58 -0.10 0.14 0.02 0.00 0.00 176.95 177.58 2k3y s VAL 92 N -1.50 1.10 0.47 4.03 -7.23 -0.65 -4.92 120.40 111.70 2k3y s VAL 92 Ca 0.34 -2.04 0.08 0.00 -1.81 0.00 0.00 61.98 58.55 2k3y s VAL 92 Cb -0.13 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 35.02 2k3y s VAL 92 CO 0.27 -0.76 0.59 -0.83 -0.31 0.00 0.00 175.10 174.06 2k3y s GLY 93 N -3.15 1.95 0.45 2.32 0.00 -1.26 -1.76 107.32 105.87 2k3y s GLY 93 Ca 0.16 -1.82 0.30 0.00 0.00 0.00 0.00 44.72 43.37 2k3y s GLY 93 CO -0.00 -1.61 1.93 -1.82 0.00 0.00 0.00 173.10 171.60 2k3y h TYR 94 N 0.58 0.00 -0.00 1.90 5.03 -1.79 -0.85 116.97 121.84 2k3y h TYR 94 Ca -0.37 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.94 2k3y h TYR 94 Cb 1.28 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.56 2k3y h TYR 94 CO 0.47 0.00 0.01 0.22 -1.32 0.00 0.00 178.16 177.54 2k3y h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.96 -3.29 116.42 112.64 2k3y h ASP 95 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k3y h ASP 95 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2k3y h ASP 95 CO 0.00 0.00 -0.92 0.54 -2.88 0.00 0.00 179.24 175.98 2k3y n ARG 96 N -3.28 0.04 -3.49 0.28 1.74 -0.41 -4.97 116.66 106.58 2k3y n ARG 96 Ca -0.03 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.79 2k3y n ARG 96 Cb 0.09 -0.96 -0.02 0.00 -1.02 0.00 0.00 32.46 30.54 2k3y n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2k3y s ILE 97 N -1.92 5.12 0.10 0.55 2.07 -0.67 -2.25 121.20 124.20 2k3y s ILE 97 Ca 0.00 -0.34 -0.19 0.00 -1.41 0.00 0.00 60.65 58.72 2k3y s ILE 97 Cb 0.00 -3.80 0.04 0.00 0.13 0.00 0.00 42.46 38.84 2k3y s ILE 97 CO 0.00 -0.38 0.46 -0.13 -1.91 0.00 0.00 174.94 172.97 2k3y s ARG 98 N -3.84 1.07 0.89 3.50 0.52 -0.11 -4.50 118.95 116.48 2k3y s ARG 98 Ca 0.40 -0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 54.97 2k3y s ARG 98 Cb -0.10 0.48 0.12 0.00 0.52 0.00 0.00 34.95 35.97 2k3y s ARG 98 CO 0.32 -0.41 1.12 0.00 0.02 0.00 0.00 175.30 176.35 2k3y s ALA 99 N -3.30 1.81 -0.13 2.13 0.00 -1.26 0.09 121.76 121.11 2k3y s ALA 99 Ca -0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 2k3y s ALA 99 Cb 0.01 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 2k3y s ALA 99 CO -0.08 -2.19 1.65 -0.47 0.00 0.00 0.00 175.76 174.66 2k3y s TYR 100 N -3.20 2.02 0.19 0.00 6.14 0.33 -4.54 117.35 118.27 2k3y s TYR 100 Ca 0.63 0.37 -0.23 0.00 0.64 0.00 0.00 57.07 58.48 2k3y s TYR 100 Cb -0.15 -3.93 0.05 0.00 0.42 0.00 0.00 41.96 38.35 2k3y s TYR 100 CO 0.54 -3.44 0.69 0.54 0.64 0.00 0.00 175.55 174.52 2k3y s ASN 101 N 3.88 -0.42 0.51 4.32 2.20 -1.26 -4.47 114.94 119.70 2k3y s ASN 101 Ca 0.73 -0.24 0.16 0.00 -0.94 0.00 0.00 52.86 52.57 2k3y s ASN 101 Cb -0.30 0.62 1.24 0.00 -2.00 0.00 0.00 41.25 40.81 2k3y s ASN 101 CO 0.29 -1.07 2.13 -0.33 -2.94 0.00 0.00 177.10 175.18 2k3y h GLU 102 N 2.00 0.06 -0.51 3.55 4.39 -1.98 -0.77 114.58 121.31 2k3y h GLU 102 Ca -0.27 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 2k3y h GLU 102 Cb 1.28 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 2k3y h GLU 102 CO 0.31 0.04 0.05 1.49 -1.16 0.00 0.00 179.01 179.74 2k3y h GLU 103 N 0.06 0.88 0.00 2.33 4.57 -1.97 0.77 114.58 121.21 2k3y h GLU 103 Ca 0.04 -0.25 -0.11 0.00 -1.18 0.00 0.00 59.36 57.86 2k3y h GLU 103 Cb 0.09 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2k3y h GLU 103 CO -0.00 0.88 -0.52 -0.91 -1.18 0.00 0.00 179.01 177.27 2k3y h ASN 104 N 0.75 0.00 0.26 1.04 2.35 -1.50 -1.35 115.58 117.13 2k3y h ASN 104 Ca 0.15 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 2k3y h ASN 104 Cb 0.45 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2k3y h ASN 104 CO 0.02 0.52 -0.48 0.40 -1.65 0.00 0.00 177.43 176.24 2k3y h ILE 105 N 0.00 1.34 -0.63 2.81 1.08 -0.92 0.19 117.51 121.37 2k3y h ILE 105 Ca -0.01 -1.69 -0.04 0.00 -0.39 0.00 0.00 64.86 62.74 2k3y h ILE 105 Cb 1.07 1.79 -0.03 0.00 -3.07 0.00 0.00 36.82 36.59 2k3y h ILE 105 CO 0.07 0.50 0.26 0.00 -0.69 0.00 0.00 178.15 178.29 2k3y h ALA 106 N 1.29 0.82 -0.10 1.87 0.00 -0.04 0.15 119.26 123.26 2k3y h ALA 106 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k3y h ALA 106 Cb 0.92 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k3y h ALA 106 CO 0.08 0.43 0.06 1.98 0.00 0.00 0.00 179.25 181.80 2k3y h MET 107 N 0.89 0.13 -0.37 0.00 1.85 -1.08 -1.65 114.93 114.71 2k3y h MET 107 Ca 0.21 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.32 2k3y h MET 107 Cb 0.20 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.17 2k3y h MET 107 CO -0.02 0.10 0.17 -0.22 -0.40 0.00 0.00 176.91 176.55 2k3y h LYS 108 N 0.12 0.34 -0.08 0.39 3.64 -0.05 -0.81 116.57 120.12 2k3y h LYS 108 Ca 0.04 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 2k3y h LYS 108 Cb 0.00 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2k3y h LYS 108 CO -0.01 0.23 -0.43 1.57 -2.27 0.00 0.00 179.45 178.53 2k3y h LYS 109 N 0.35 0.44 -0.73 1.90 2.10 -0.68 0.23 116.57 120.18 2k3y h LYS 109 Ca 0.16 -0.36 0.18 0.00 -2.00 0.00 0.00 60.65 58.62 2k3y h LYS 109 Cb 0.08 0.08 -0.04 0.00 -0.90 0.00 0.00 32.23 31.45 2k3y h LYS 109 CO -0.12 1.00 0.50 -0.09 -2.00 0.00 0.00 179.45 178.74 2k3y h ARG 110 N -0.01 0.22 0.07 0.07 1.12 -1.08 -0.03 114.38 114.75 2k3y h ARG 110 Ca -0.03 -0.01 -0.31 0.00 -1.11 0.00 0.00 59.98 58.52 2k3y h ARG 110 Cb 1.09 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.97 2k3y h ARG 110 CO 0.09 0.15 -1.68 -0.07 -3.11 0.00 0.00 179.97 175.35 2k3y h LEU 111 N 0.23 0.24 -1.94 3.80 3.38 -0.87 -3.33 115.31 116.82 2k3y h LEU 111 Ca 0.36 -0.76 0.22 0.00 0.09 0.00 0.00 57.88 57.79 2k3y h LEU 111 Cb 1.08 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2k3y h LEU 111 CO -0.08 1.70 0.63 0.00 0.09 0.00 0.00 178.44 180.78 2k3y h ALA 112 N -0.17 2.65 -0.27 1.53 0.00 -0.36 0.30 119.26 122.94 2k3y h ALA 112 Ca -0.39 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 2k3y h ALA 112 Cb 1.72 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2k3y h ALA 112 CO -0.04 -1.02 -0.21 -0.97 0.00 0.00 0.00 179.25 177.01 2k3y h ASN 113 N 0.00 0.49 0.00 0.00 -1.24 -1.11 -3.38 115.58 110.35 2k3y h ASN 113 Ca 0.37 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.22 2k3y h ASN 113 Cb 1.61 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.53 2k3y h ASN 113 CO -0.00 0.72 -0.11 -1.84 -1.29 0.00 0.00 177.43 174.91 2k3y n GLU 114 N -4.14 4.67 -1.22 6.67 0.28 -0.21 -5.03 120.64 121.66 2k3y n GLU 114 Ca -0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 2k3y n GLU 114 Cb 0.38 -0.44 -0.04 0.00 1.43 0.00 0.00 31.44 32.77 2k3y n GLU 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k3y n ALA 115 N -0.79 -0.15 0.00 -1.84 0.00 0.89 -2.63 120.51 115.98 2k3y n ALA 115 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2k3y n ALA 115 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2k3y n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3y n GLY 116 N -0.09 1.50 4.21 0.00 0.00 -1.25 -4.66 105.19 104.90 2k3y n GLY 116 Ca -0.10 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2k3y n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3y n SER 117 N 1.70 -0.44 0.30 1.61 7.64 -1.08 -4.86 113.62 118.51 2k3y n SER 117 Ca 0.00 -1.14 0.17 0.00 1.01 0.00 0.00 58.87 58.90 2k3y n SER 117 Cb 0.00 -2.26 0.97 0.00 -1.01 0.00 0.00 64.21 61.91 2k3y n SER 117 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2k3y h THR 118 N -1.65 0.41 -2.24 0.44 1.35 -1.91 -3.45 112.91 105.86 2k3y h THR 118 Ca -0.63 -0.04 0.19 0.00 -0.55 0.00 0.00 66.41 65.38 2k3y h THR 118 Cb 1.39 1.03 -0.09 0.00 -1.73 0.00 0.00 68.15 68.74 2k3y h THR 118 CO 0.71 0.01 0.52 -0.83 -0.25 0.00 0.00 175.52 175.68 2k3y s GLY 119 N -4.12 -0.27 -0.52 5.82 0.00 -1.26 -5.10 107.32 101.86 2k3y s GLY 119 Ca -0.05 0.28 -0.27 0.00 0.00 0.00 0.00 44.72 44.68 2k3y s GLY 119 CO 0.52 0.05 1.88 -0.56 0.00 0.00 0.00 173.10 174.99 2k3y s SER 120 N -2.90 5.39 0.09 1.64 0.01 -1.26 -4.92 113.70 111.75 2k3y s SER 120 Ca 0.12 0.68 -0.20 0.00 1.31 0.00 0.00 55.95 57.86 2k3y s SER 120 Cb -0.01 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.75 2k3y s SER 120 CO 0.01 -2.22 0.49 0.00 0.41 0.00 0.00 173.24 171.92 2k3y s ALA 121 N 8.69 -1.22 0.00 1.44 0.00 -1.26 -5.04 121.76 124.36 2k3y s ALA 121 Ca 0.73 0.34 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2k3y s ALA 121 Cb -0.16 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.54 2k3y s ALA 121 CO 0.25 -0.60 0.98 -0.35 0.00 0.00 0.00 175.76 176.05 2k3y n PRO 122 N 0.06 0.77 0.00 0.00 -0.04 -1.26 -4.43 135.00 130.11 2k3y n PRO 122 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2k3y n PRO 122 Cb 0.62 -1.11 0.01 0.00 -0.04 0.00 0.00 33.50 32.98 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3y n ALA 123 N 0.88 2.36 -0.84 0.55 0.00 -1.26 -4.65 120.51 117.56 2k3y n ALA 123 Ca 0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 2k3y n ALA 123 Cb 0.39 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 2k3y n ALA 123 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k3y n THR 124 N -0.51 2.67 0.00 0.00 -2.24 -1.26 -2.38 114.28 110.55 2k3y n THR 124 Ca 0.00 -1.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.16 2k3y n THR 124 Cb 0.00 -2.21 0.00 0.00 -2.10 0.00 0.00 70.33 66.02 2k3y n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k3y n GLY 125 N 3.78 0.18 3.64 3.38 0.00 -1.26 -5.10 105.19 109.81 2k3y n GLY 125 Ca 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.47 2k3y n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3y s GLY 126 N 0.00 0.16 -0.62 -0.02 0.00 -1.00 -5.08 107.32 100.75 2k3y s GLY 126 Ca 0.00 3.21 0.04 0.00 0.00 0.00 0.00 44.72 47.98 2k3y s GLY 126 CO 0.00 2.12 1.07 1.55 0.00 0.00 0.00 173.10 177.84 2k3y n VAL 127 N 2.34 3.38 -3.15 1.40 3.14 -1.26 -4.61 118.33 119.56 2k3y n VAL 127 Ca -0.13 -5.57 0.06 0.00 -2.96 0.00 0.00 64.34 55.74 2k3y n VAL 127 Cb 0.57 -1.40 -0.02 0.00 -1.06 0.00 0.00 33.84 31.92 2k3y n VAL 127 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2k3y s LYS 129 N -3.59 0.09 0.00 1.45 -0.14 -1.26 -5.06 119.74 111.23 2k3y s LYS 129 Ca 0.48 0.14 0.28 0.00 -1.36 0.00 0.00 55.97 55.51 2k3y s LYS 129 Cb 0.28 0.08 1.04 0.00 -1.68 0.00 0.00 37.83 37.55 2k3y s LYS 129 CO -0.15 -0.10 1.78 -0.35 -0.76 0.00 0.00 175.35 175.77 2k3y n PRO 130 N 5.43 0.09 -3.56 -1.68 -0.04 -1.26 -4.93 135.00 129.05 2k3y n PRO 130 Ca -0.06 -0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.20 2k3y n PRO 130 Cb 0.55 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 2k3y n PRO 130 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2k3y n HIS 131 N -1.44 0.47 -3.09 0.54 -0.00 -1.26 -4.78 115.22 105.67 2k3y n HIS 131 Ca 0.08 -1.54 -0.21 0.00 -0.00 0.00 0.00 57.72 56.05 2k3y n HIS 131 Cb 0.33 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.20 2k3y n HIS 131 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2k3y n ARG 132 N -0.69 -3.45 -3.72 1.57 5.12 -1.26 -4.96 116.66 109.27 2k3y n ARG 132 Ca -0.09 0.59 -0.12 0.00 -1.93 0.00 0.00 57.85 56.31 2k3y n ARG 132 Cb 0.38 -5.31 -0.07 0.00 -1.16 0.00 0.00 32.46 26.30 2k3y n ARG 132 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2k3y s TYR 133 N -2.91 -0.14 0.00 -1.55 5.04 -1.26 -5.17 117.35 111.35 2k3y s TYR 133 Ca 0.29 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.91 2k3y s TYR 133 Cb -0.15 0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.30 2k3y s TYR 133 CO 0.36 -0.55 0.00 -2.13 -1.34 0.00 0.00 175.55 171.89