#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 2.21 0.00 1.12 -7.23 -1.26 -4.97 120.40 110.26 2k3y s VAL 2 Ca 0.00 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 2k3y s VAL 2 Cb 0.00 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.64 2k3y s VAL 2 CO 0.00 -0.08 0.00 -0.67 -0.31 0.00 0.00 175.10 174.04 2k3y n ASP 3 N -3.75 0.00 0.00 4.85 2.03 -1.26 -4.96 116.55 113.45 2k3y n ASP 3 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2k3y n ASP 3 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2k3y n ASP 3 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2k3y n LEU 4 N -0.39 0.00 -0.33 -2.67 7.94 -1.26 -4.87 117.00 115.42 2k3y n LEU 4 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 2k3y n LEU 4 Cb 0.00 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.15 2k3y n LEU 4 CO 0.00 0.00 1.26 -0.33 -1.11 0.00 0.00 177.39 177.21 2k3y h GLU 5 N 0.00 1.10 0.00 1.96 3.07 -1.93 -1.21 114.58 117.56 2k3y h GLU 5 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2k3y h GLU 5 Cb 0.23 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2k3y h GLU 5 CO 0.00 0.73 0.00 0.37 -1.40 0.00 0.00 179.01 178.71 2k3y h GLN 6 N 1.13 0.00 -6.23 2.33 4.15 -1.89 -3.38 115.11 111.21 2k3y h GLN 6 Ca 0.39 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 59.31 2k3y h GLN 6 Cb 0.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 2k3y h GLN 6 CO -0.13 0.00 -0.37 -1.21 -1.93 0.00 0.00 178.83 175.18 2k3y s GLU 7 N -3.63 3.46 -0.20 1.69 2.02 -0.46 -4.49 118.70 117.09 2k3y s GLU 7 Ca 0.01 -0.56 -0.19 0.00 0.02 0.00 0.00 54.97 54.25 2k3y s GLU 7 Cb 0.09 -2.85 -0.21 0.00 0.10 0.00 0.00 34.13 31.26 2k3y s GLU 7 CO 0.46 0.39 1.52 1.97 0.02 0.00 0.00 175.26 179.63 2k3y n PHE 8 N -1.15 0.41 -2.10 1.61 -1.74 -1.26 -4.74 117.46 108.49 2k3y n PHE 8 Ca -0.07 -0.83 -0.41 0.00 -0.56 0.00 0.00 57.45 55.58 2k3y n PHE 8 Cb 0.56 -0.94 -0.02 0.00 1.52 0.00 0.00 39.48 40.60 2k3y n PHE 8 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k3y s ALA 9 N 5.83 3.51 -1.37 1.98 0.00 -1.26 -4.86 121.76 125.59 2k3y s ALA 9 Ca 0.46 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.70 2k3y s ALA 9 Cb 0.10 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.79 2k3y s ALA 9 CO 0.18 -0.66 0.86 -0.11 0.00 0.00 0.00 175.76 176.04 2k3y n LEU 10 N 1.02 0.00 -0.99 0.00 0.00 -1.26 -1.27 117.00 114.49 2k3y n LEU 10 Ca 0.01 0.31 -0.05 0.00 0.00 0.00 0.00 56.01 56.29 2k3y n LEU 10 Cb 0.42 -0.31 -0.05 0.00 0.00 0.00 0.00 43.42 43.47 2k3y n LEU 10 CO 0.59 -0.30 0.30 0.61 0.00 0.00 0.00 177.39 178.59 2k3y n GLY 11 N -1.21 0.62 2.59 -3.96 0.00 -1.26 -4.06 105.19 97.90 2k3y n GLY 11 Ca 0.01 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.43 3.86 -0.02 0.00 -0.40 -4.95 105.19 102.31 2k3y n GLY 12 Ca -0.20 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 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 -4.95 3.90 0.22 1.61 0.52 -1.26 -3.95 118.95 115.03 2k3y s ARG 13 Ca 0.51 0.51 0.03 0.00 -0.52 0.00 0.00 55.73 56.25 2k3y s ARG 13 Cb -0.01 -2.48 -0.05 0.00 0.52 0.00 0.00 34.95 32.92 2k3y s ARG 13 CO 0.36 0.16 0.01 0.54 0.02 0.00 0.00 175.30 176.39 2k3y s VAL 14 N -2.02 0.85 -0.02 3.52 0.11 -0.50 -1.28 120.40 121.06 2k3y s VAL 14 Ca 0.52 -2.01 -0.00 0.00 -2.93 0.00 0.00 61.98 57.55 2k3y s VAL 14 Cb -0.10 -2.31 0.03 0.00 -1.53 0.00 0.00 36.38 32.46 2k3y s VAL 14 CO 0.21 -0.33 0.03 -0.76 -3.33 0.00 0.00 175.10 170.93 2k3y s LEU 15 N -3.26 0.93 -0.12 2.54 1.43 0.11 -0.51 118.68 119.79 2k3y s LEU 15 Ca 0.28 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 2k3y s LEU 15 Cb 0.06 -0.09 0.02 0.00 0.03 0.00 0.00 46.19 46.20 2k3y s LEU 15 CO 0.08 -0.15 -0.16 0.00 0.23 0.00 0.00 176.35 176.35 2k3y s ALA 16 N 1.25 1.80 -0.23 4.21 0.00 -0.56 -0.63 121.76 127.61 2k3y s ALA 16 Ca -0.07 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 2k3y s ALA 16 Cb -0.13 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 2k3y s ALA 16 CO -0.03 -0.13 0.22 0.12 0.00 0.00 0.00 175.76 175.94 2k3y s PHE 17 N 1.05 3.33 -0.18 0.00 5.36 -0.28 -1.18 117.98 126.09 2k3y s PHE 17 Ca -0.05 0.32 0.16 0.00 -0.96 0.00 0.00 56.93 56.41 2k3y s PHE 17 Cb -0.15 -2.33 -0.24 0.00 -0.34 0.00 0.00 43.02 39.97 2k3y s PHE 17 CO -0.03 0.05 0.43 0.72 -1.46 0.00 0.00 175.22 174.93 2k3y n HIS 18 N 4.31 0.00 0.00 10.12 8.25 -0.14 -4.71 115.22 133.06 2k3y n HIS 18 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2k3y n HIS 18 Cb 0.52 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2k3y n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k3y n GLY 19 N 1.53 0.85 0.21 -1.41 0.00 -1.26 -4.87 105.19 100.23 2k3y n GLY 19 Ca -0.02 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.64 1.61 0.13 -1.96 -3.47 132.00 124.67 2k3y h PRO 20 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 2k3y h PRO 20 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2k3y h PRO 20 CO 0.00 0.29 -0.02 -1.17 -0.23 0.00 0.00 178.00 176.87 2k3y s LEU 21 N -6.97 0.50 -0.01 1.56 0.20 -1.26 -4.88 118.68 107.81 2k3y s LEU 21 Ca 0.00 -1.21 -0.05 0.00 0.69 0.00 0.00 54.13 53.56 2k3y s LEU 21 Cb 0.11 1.98 0.00 0.00 -0.43 0.00 0.00 46.19 47.85 2k3y s LEU 21 CO 0.66 -1.37 0.11 -0.32 -0.29 0.00 0.00 176.35 175.15 2k3y s MET 22 N -3.15 0.35 0.07 1.98 -2.45 -1.26 -0.96 119.30 113.88 2k3y s MET 22 Ca 0.23 -0.22 0.04 0.00 -1.25 0.00 0.00 55.69 54.49 2k3y s MET 22 Cb -0.02 0.15 -0.03 0.00 1.25 0.00 0.00 34.83 36.18 2k3y s MET 22 CO 0.14 -0.07 -0.11 0.71 1.05 0.00 0.00 175.02 176.74 2k3y s TYR 23 N -0.88 1.02 0.31 4.11 2.02 -0.33 -4.95 117.35 118.65 2k3y s TYR 23 Ca -0.10 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 55.78 2k3y s TYR 23 Cb -0.06 -0.58 -0.10 0.00 -0.40 0.00 0.00 41.96 40.83 2k3y s TYR 23 CO 0.01 0.00 1.31 -1.21 -1.57 0.00 0.00 175.55 174.09 2k3y s GLU 24 N -2.01 4.36 0.08 -0.62 2.02 -1.26 -1.49 118.70 119.78 2k3y s GLU 24 Ca -0.02 2.20 0.02 0.00 0.02 0.00 0.00 54.97 57.19 2k3y s GLU 24 Cb -0.08 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 2k3y s GLU 24 CO 0.01 -0.20 -0.06 0.00 0.02 0.00 0.00 175.26 175.02 2k3y s ALA 25 N -0.93 0.85 -0.33 5.21 0.00 0.33 -0.72 121.76 126.17 2k3y s ALA 25 Ca 0.50 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2k3y s ALA 25 Cb -0.39 0.14 0.15 0.00 0.00 0.00 0.00 23.12 23.02 2k3y s ALA 25 CO 0.50 -0.20 0.36 0.21 0.00 0.00 0.00 175.76 176.64 2k3y s LYS 26 N -3.34 0.50 0.57 0.00 2.36 -0.52 -1.41 119.74 117.90 2k3y s LYS 26 Ca 0.07 -0.44 -0.20 0.00 -2.55 0.00 0.00 55.97 52.85 2k3y s LYS 26 Cb 0.02 -0.61 -0.05 0.00 -1.05 0.00 0.00 37.83 36.14 2k3y s LYS 26 CO -0.04 -1.11 1.11 -0.89 1.55 0.00 0.00 175.35 175.97 2k3y n ILE 27 N 4.80 3.73 0.00 5.43 5.41 -1.25 -1.59 119.36 135.88 2k3y n ILE 27 Ca 0.05 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.30 2k3y n ILE 27 Cb 0.47 -1.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 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 -0.80 0.00 -4.62 1.39 -0.00 -0.80 -4.31 117.00 107.86 2k3y n LEU 28 Ca 0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.83 2k3y n LEU 28 Cb 0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.79 2k3y n LEU 28 CO 0.51 0.00 -0.38 -0.54 -0.00 0.00 0.00 177.39 176.98 2k3y s LYS 29 N -0.95 2.33 0.11 1.47 1.02 -1.21 -2.69 119.74 119.82 2k3y s LYS 29 Ca 0.00 -0.93 -0.07 0.00 0.02 0.00 0.00 55.97 54.99 2k3y s LYS 29 Cb 0.00 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 2k3y s LYS 29 CO 0.00 0.53 0.19 0.96 -0.92 0.00 0.00 175.35 176.10 2k3y s ILE 30 N -1.24 0.13 0.03 2.17 -4.36 -0.06 -0.34 121.20 117.52 2k3y s ILE 30 Ca 0.23 -1.35 -0.13 0.00 -0.26 0.00 0.00 60.65 59.14 2k3y s ILE 30 Cb -0.11 -1.54 0.02 0.00 1.25 0.00 0.00 42.46 42.07 2k3y s ILE 30 CO 0.15 -0.57 0.29 0.86 0.24 0.00 0.00 174.94 175.91 2k3y s TRP 31 N -3.91 -0.10 -0.07 1.37 -0.11 -0.02 -1.19 118.94 114.90 2k3y s TRP 31 Ca 0.10 0.01 -0.12 0.00 1.22 0.00 0.00 56.10 57.32 2k3y s TRP 31 Cb 0.05 0.08 0.03 0.00 -1.50 0.00 0.00 33.47 32.12 2k3y s TRP 31 CO -0.07 -0.46 0.29 0.34 -4.62 0.00 0.00 176.95 172.43 2k3y s ASP 32 N -1.85 -0.25 0.10 5.86 -1.08 -1.26 -1.49 116.67 116.70 2k3y s ASP 32 Ca -0.08 0.39 0.16 0.00 -0.52 0.00 0.00 52.55 52.50 2k3y s ASP 32 Cb -0.02 0.49 0.69 0.00 -1.46 0.00 0.00 42.92 42.62 2k3y s ASP 32 CO -0.01 -0.23 1.49 -0.81 0.52 0.00 0.00 175.17 176.13 2k3y n PRO 33 N 2.31 0.07 0.07 4.34 -0.04 -1.25 -2.51 135.00 137.99 2k3y n PRO 33 Ca -0.16 0.36 0.02 0.00 -0.04 0.00 0.00 63.50 63.67 2k3y n PRO 33 Cb 0.57 -1.64 0.36 0.00 -0.04 0.00 0.00 33.50 32.75 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 0.33 0.00 3.54 0.02 -1.94 -3.12 113.55 112.38 2k3y h SER 34 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2k3y h SER 34 Cb 0.23 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2k3y h SER 34 CO 0.00 0.45 -0.06 -1.54 -1.14 0.00 0.00 176.83 174.54 2k3y n SER 35 N -4.29 0.28 -3.99 3.07 3.41 -1.25 -5.02 113.62 105.84 2k3y n SER 35 Ca 0.00 -0.42 -0.26 0.00 -0.26 0.00 0.00 58.87 57.93 2k3y n SER 35 Cb 0.25 0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 65.07 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 -0.93 -2.92 -3.85 4.33 5.02 -1.04 -5.00 118.16 113.78 2k3y n LYS 36 Ca 0.00 0.37 -0.11 0.00 -2.02 0.00 0.00 58.31 56.55 2k3y n LYS 36 Cb 0.00 -4.38 -0.09 0.00 -0.02 0.00 0.00 35.03 30.54 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 -6.64 0.62 0.48 1.97 -1.94 -1.25 -4.79 119.30 107.75 2k3y s MET 37 Ca 0.02 -0.50 0.08 0.00 -1.71 0.00 0.00 55.69 53.58 2k3y s MET 37 Cb -0.01 0.26 0.04 0.00 2.01 0.00 0.00 34.83 37.13 2k3y s MET 37 CO 0.90 -0.17 0.62 1.52 -0.01 0.00 0.00 175.02 177.89 2k3y s TYR 38 N -2.02 2.21 0.08 -0.03 1.13 -1.25 -3.97 117.35 113.51 2k3y s TYR 38 Ca -0.09 -0.56 -0.00 0.00 -1.41 0.00 0.00 57.07 55.01 2k3y s TYR 38 Cb -0.04 -2.27 -0.04 0.00 -1.10 0.00 0.00 41.96 38.51 2k3y s TYR 38 CO -0.01 -0.66 -0.02 0.95 -2.51 0.00 0.00 175.55 173.29 2k3y s THR 39 N -2.50 0.35 0.16 -3.49 -4.23 -0.33 -4.02 115.64 101.58 2k3y s THR 39 Ca 0.56 -1.87 -0.17 0.00 -1.18 0.00 0.00 61.69 59.02 2k3y s THR 39 Cb -0.07 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 72.11 2k3y s THR 39 CO 0.34 -0.84 0.47 -0.55 -0.54 0.00 0.00 174.62 173.50 2k3y s SER 40 N -2.99 -0.27 0.05 3.99 0.15 -1.26 -0.89 113.70 112.48 2k3y s SER 40 Ca 0.12 -0.37 -0.09 0.00 0.70 0.00 0.00 55.95 56.31 2k3y s SER 40 Cb 0.07 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2k3y s SER 40 CO -0.06 -0.95 0.18 0.27 1.20 0.00 0.00 173.24 173.88 2k3y s ILE 41 N -3.83 0.12 -1.14 6.45 -4.36 -1.10 -1.36 121.20 115.97 2k3y s ILE 41 Ca 0.06 -0.97 -0.21 0.00 -0.26 0.00 0.00 60.65 59.27 2k3y s ILE 41 Cb 0.00 -0.98 0.01 0.00 1.25 0.00 0.00 42.46 42.74 2k3y s ILE 41 CO -0.08 -0.54 1.75 -2.16 0.24 0.00 0.00 174.94 174.16 2k3y s PRO 42 N -2.78 3.30 0.00 0.37 0.04 -1.26 -4.61 135.00 130.07 2k3y s PRO 42 Ca -0.03 -1.32 0.00 0.00 0.04 0.00 0.00 61.00 59.68 2k3y s PRO 42 Cb -0.00 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2k3y s PRO 42 CO -0.05 -2.85 0.63 -1.71 0.04 0.00 0.00 177.00 173.05 2k3y n ASN 43 N 10.87 0.00 0.00 6.66 2.85 -1.26 -4.95 115.26 129.43 2k3y n ASN 43 Ca 0.43 -1.32 0.00 0.00 -0.11 0.00 0.00 54.58 53.58 2k3y n ASN 43 Cb 0.47 -0.06 0.00 0.00 1.24 0.00 0.00 39.78 41.43 2k3y n ASN 43 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2k3y n ASP 44 N 0.00 0.00 -3.88 1.20 2.03 -1.26 -4.98 116.55 109.65 2k3y n ASP 44 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 2k3y n ASP 44 Cb 0.56 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.97 2k3y n ASP 44 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2k3y n LYS 45 N -0.41 -1.08 -0.59 -0.67 2.85 -1.26 -4.93 118.16 112.06 2k3y n LYS 45 Ca 0.00 0.52 -0.30 0.00 -1.05 0.00 0.00 58.31 57.48 2k3y n LYS 45 Cb 0.00 -2.44 0.21 0.00 -0.65 0.00 0.00 35.03 32.15 2k3y n LYS 45 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2k3y n PRO 46 N -3.50 -1.37 0.01 -1.58 -0.04 -1.19 -4.82 135.00 122.51 2k3y n PRO 46 Ca -0.24 -0.35 0.22 0.00 -0.04 0.00 0.00 63.50 63.08 2k3y n PRO 46 Cb 0.64 -2.23 0.72 0.00 -0.04 0.00 0.00 33.50 32.60 2k3y n PRO 46 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2k3y h GLY 47 N -2.23 0.00 0.04 0.55 0.00 -1.95 -0.41 103.07 99.06 2k3y h GLY 47 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2k3y h GLY 47 CO 0.44 0.00 -0.33 0.61 0.00 0.00 0.00 176.54 177.25 2k3y n GLY 48 N -1.59 -0.53 2.75 4.60 0.00 -1.26 -4.84 105.19 104.31 2k3y n GLY 48 Ca 0.10 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 2k3y n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y s SER 49 N -2.54 1.57 0.49 1.61 0.01 -0.16 -5.03 113.70 109.66 2k3y s SER 49 Ca 0.22 -0.45 0.27 0.00 1.31 0.00 0.00 55.95 57.30 2k3y s SER 49 Cb 0.19 0.41 1.35 0.00 0.21 0.00 0.00 66.02 68.18 2k3y s SER 49 CO 0.55 -0.35 1.87 0.77 0.41 0.00 0.00 173.24 176.48 2k3y h SER 50 N 8.30 0.15 -3.39 2.44 4.64 -1.88 -3.16 113.55 120.64 2k3y h SER 50 Ca -0.16 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.23 2k3y h SER 50 Cb 1.12 -0.01 -0.25 0.00 -0.31 0.00 0.00 62.40 62.95 2k3y h SER 50 CO 0.31 0.05 0.43 -1.58 -0.87 0.00 0.00 176.83 175.17 2k3y s GLN 51 N -5.14 0.55 1.00 4.77 0.74 -1.26 -4.75 119.66 115.57 2k3y s GLN 51 Ca -0.06 0.58 -0.12 0.00 0.05 0.00 0.00 55.36 55.81 2k3y s GLN 51 Cb 0.22 0.27 0.19 0.00 1.10 0.00 0.00 33.01 34.79 2k3y s GLN 51 CO 0.78 -0.08 1.09 0.00 -0.55 0.00 0.00 175.29 176.52 2k3y s ALA 52 N 0.08 0.90 -0.54 1.58 0.00 -1.26 -5.02 121.76 117.49 2k3y s ALA 52 Ca 0.02 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.76 2k3y s ALA 52 Cb -0.04 -3.15 0.15 0.00 0.00 0.00 0.00 23.12 20.07 2k3y s ALA 52 CO -0.05 -2.87 0.34 0.95 0.00 0.00 0.00 175.76 174.13 2k3y s THR 53 N -2.90 2.10 0.00 0.00 -4.23 -1.26 -4.62 115.64 104.73 2k3y s THR 53 Ca 0.65 -3.33 0.00 0.00 -1.18 0.00 0.00 61.69 57.83 2k3y s THR 53 Cb -0.19 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2k3y s THR 53 CO 0.58 -0.94 0.00 0.29 -0.54 0.00 0.00 174.62 174.01 2k3y n LYS 54 N 2.85 0.00 -1.56 3.99 5.02 -1.26 -3.97 118.16 123.23 2k3y n LYS 54 Ca 0.13 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.04 2k3y n LYS 54 Cb 0.35 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.33 2k3y n LYS 54 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2k3y n GLU 55 N 0.00 1.25 -2.30 1.97 0.28 -1.26 -3.99 120.64 116.59 2k3y n GLU 55 Ca 0.00 0.15 -0.41 0.00 -0.16 0.00 0.00 57.16 56.74 2k3y n GLU 55 Cb 0.00 -3.27 -0.03 0.00 1.43 0.00 0.00 31.44 29.56 2k3y n GLU 55 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2k3y s ILE 56 N 10.87 3.34 0.25 3.84 1.01 -0.46 -4.96 121.20 135.09 2k3y s ILE 56 Ca 1.01 1.16 -0.30 0.00 0.00 0.00 0.00 60.65 62.52 2k3y s ILE 56 Cb -0.29 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 2k3y s ILE 56 CO 0.30 0.20 1.36 -0.54 0.00 0.00 0.00 174.94 176.27 2k3y s LYS 57 N -0.47 4.33 0.23 2.79 3.01 -1.26 -4.26 119.74 124.11 2k3y s LYS 57 Ca 0.53 2.20 -0.30 0.00 -1.01 0.00 0.00 55.97 57.39 2k3y s LYS 57 Cb -0.35 -3.13 -0.09 0.00 -1.01 0.00 0.00 37.83 33.26 2k3y s LYS 57 CO 0.39 -0.30 1.26 -1.25 0.51 0.00 0.00 175.35 175.96 2k3y s PRO 58 N -0.65 4.44 0.09 -1.68 0.04 -1.26 -4.94 135.00 131.04 2k3y s PRO 58 Ca 0.56 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.60 2k3y s PRO 58 Cb -0.40 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 2k3y s PRO 58 CO 0.44 -0.14 0.02 -0.65 0.04 0.00 0.00 177.00 176.70 2k3y s GLN 59 N -0.61 0.76 0.67 4.56 -0.21 -1.26 -4.96 119.66 118.61 2k3y s GLN 59 Ca 0.53 -1.31 -0.17 0.00 0.02 0.00 0.00 55.36 54.44 2k3y s GLN 59 Cb -0.36 0.23 0.01 0.00 1.00 0.00 0.00 33.01 33.89 2k3y s GLN 59 CO 0.41 -0.19 1.21 0.15 -2.12 0.00 0.00 175.29 174.75 2k3y s LYS 60 N -3.97 2.52 0.10 2.91 -0.14 -1.26 -3.76 119.74 116.15 2k3y s LYS 60 Ca 0.14 1.78 0.05 0.00 -1.36 0.00 0.00 55.97 56.59 2k3y s LYS 60 Cb 0.08 -1.88 -0.04 0.00 -1.68 0.00 0.00 37.83 34.31 2k3y s LYS 60 CO -0.05 -1.54 -0.01 -1.17 -0.76 0.00 0.00 175.35 171.82 2k3y s LEU 61 N -4.68 3.39 0.00 3.17 0.20 -1.26 -4.81 118.68 114.69 2k3y s LEU 61 Ca 0.76 -0.23 0.00 0.00 0.69 0.00 0.00 54.13 55.34 2k3y s LEU 61 Cb -0.30 -2.12 0.00 0.00 -0.43 0.00 0.00 46.19 43.34 2k3y s LEU 61 CO 0.40 0.16 0.00 0.61 -0.29 0.00 0.00 176.35 177.23 2k3y n GLY 62 N 0.48 1.78 0.08 7.98 0.00 -1.26 -5.02 105.19 109.22 2k3y n GLY 62 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 0.09 0.00 1.61 5.08 -2.03 -3.40 114.58 115.92 2k3y h GLU 63 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2k3y h GLU 63 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2k3y h GLU 63 CO 0.00 1.05 -0.19 -3.47 -1.00 0.00 0.00 179.01 175.40 2k3y n ASP 64 N -3.39 0.00 -4.30 1.42 2.03 -1.26 -5.13 116.55 105.92 2k3y n ASP 64 Ca -0.04 -1.37 -0.16 0.00 0.52 0.00 0.00 54.79 53.74 2k3y n ASP 64 Cb 0.97 -0.07 -0.10 0.00 -0.72 0.00 0.00 41.12 41.20 2k3y n ASP 64 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2k3y s GLU 65 N 0.00 1.24 -0.12 -0.67 8.01 -1.26 -5.11 118.70 120.79 2k3y s GLU 65 Ca 0.00 -1.60 -0.12 0.00 0.01 0.00 0.00 54.97 53.27 2k3y s GLU 65 Cb 0.00 -0.63 0.03 0.00 -4.31 0.00 0.00 34.13 29.23 2k3y s GLU 65 CO 0.00 -0.03 0.33 -1.12 0.01 0.00 0.00 175.26 174.45 2k3y s SER 66 N -3.26 -0.34 -0.06 -0.19 0.01 -1.26 -4.28 113.70 104.32 2k3y s SER 66 Ca 0.24 0.63 -0.01 0.00 1.31 0.00 0.00 55.95 58.13 2k3y s SER 66 Cb 0.04 0.66 0.03 0.00 0.21 0.00 0.00 66.02 66.96 2k3y s SER 66 CO 0.06 -0.13 -0.00 0.27 0.41 0.00 0.00 173.24 173.84 2k3y s ILE 67 N 0.09 0.34 0.76 1.44 -4.36 -1.26 -4.65 121.20 113.56 2k3y s ILE 67 Ca -0.01 0.10 -0.15 0.00 -0.26 0.00 0.00 60.65 60.33 2k3y s ILE 67 Cb -0.02 -0.48 -0.00 0.00 1.25 0.00 0.00 42.46 43.20 2k3y s ILE 67 CO 0.01 0.24 0.73 -2.65 0.24 0.00 0.00 174.94 173.51 2k3y n PRO 68 N 4.88 0.28 0.25 0.37 -0.02 -1.26 -4.77 135.00 134.73 2k3y n PRO 68 Ca -0.12 0.15 0.17 0.00 -2.02 0.00 0.00 63.50 61.68 2k3y n PRO 68 Cb 0.50 -2.03 0.80 0.00 -0.02 0.00 0.00 33.50 32.75 2k3y n PRO 68 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k3y h GLU 69 N -0.53 0.00 0.00 -0.52 5.08 -2.01 -0.97 114.58 115.63 2k3y h GLU 69 Ca -0.46 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 2k3y h GLU 69 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 2k3y h GLU 69 CO 0.43 0.00 -0.16 1.49 -1.00 0.00 0.00 179.01 179.78 2k3y h GLU 70 N 0.00 0.00 0.00 2.33 4.81 -2.02 -3.25 114.58 116.45 2k3y h GLU 70 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2k3y h GLU 70 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2k3y h GLU 70 CO -0.00 0.16 -0.28 0.44 -0.73 0.00 0.00 179.01 178.59 2k3y n ILE 71 N -4.06 0.00 -0.20 2.32 -5.35 -0.42 -4.53 119.36 107.13 2k3y n ILE 71 Ca -0.02 -0.36 -0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2k3y n ILE 71 Cb 0.24 0.87 0.10 0.00 -1.74 0.00 0.00 39.64 39.11 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 0.79 -0.05 7.28 1.08 -1.48 -2.93 117.51 122.20 2k3y h ILE 72 Ca 0.00 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 2k3y h ILE 72 Cb 0.01 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 2k3y h ILE 72 CO 0.00 0.08 0.00 -0.46 -0.69 0.00 0.00 178.15 177.08 2k3y n ASN 73 N -4.99 0.30 -1.40 1.72 0.23 -1.23 -3.89 115.26 106.01 2k3y n ASN 73 Ca 0.08 -2.00 -0.02 0.00 -0.53 0.00 0.00 54.58 52.11 2k3y n ASN 73 Cb 0.26 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 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 0.56 2.10 3.76 4.83 0.00 -1.11 -4.74 105.19 110.60 2k3y n GLY 74 Ca 0.02 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.07 4.14 0.05 1.61 -0.14 -1.26 -4.07 119.74 118.00 2k3y s LYS 75 Ca 0.04 2.54 0.02 0.00 -1.36 0.00 0.00 55.97 57.21 2k3y s LYS 75 Cb -0.01 -3.01 -0.03 0.00 -1.68 0.00 0.00 37.83 33.11 2k3y s LYS 75 CO 0.03 -0.55 -0.07 -1.12 -0.76 0.00 0.00 175.35 172.88 2k3y s SER 76 N 0.14 0.82 -0.12 2.83 0.01 -0.56 -4.40 113.70 112.42 2k3y s SER 76 Ca 0.57 -0.61 -0.04 0.00 1.31 0.00 0.00 55.95 57.19 2k3y s SER 76 Cb -0.46 0.05 0.05 0.00 0.21 0.00 0.00 66.02 65.87 2k3y s SER 76 CO 0.55 -0.25 0.07 -0.36 0.41 0.00 0.00 173.24 173.66 2k3y s PHE 77 N -1.70 0.26 -0.03 2.43 0.08 -0.68 -0.84 117.98 117.49 2k3y s PHE 77 Ca -0.08 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.50 2k3y s PHE 77 Cb -0.08 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.68 2k3y s PHE 77 CO -0.01 -0.41 0.98 0.12 -0.10 0.00 0.00 175.22 175.81 2k3y s PHE 78 N 2.11 3.62 0.03 0.36 5.36 0.54 -1.63 117.98 128.37 2k3y s PHE 78 Ca 0.03 1.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.66 2k3y s PHE 78 Cb -0.15 -3.13 -0.02 0.00 -0.34 0.00 0.00 43.02 39.38 2k3y s PHE 78 CO -0.07 -0.07 -0.03 0.96 -1.46 0.00 0.00 175.22 174.55 2k3y s ILE 79 N 1.29 0.18 -0.22 3.12 -4.36 -0.47 -1.90 121.20 118.84 2k3y s ILE 79 Ca 0.51 -1.13 -0.13 0.00 -0.26 0.00 0.00 60.65 59.64 2k3y s ILE 79 Cb -0.20 -0.58 -0.05 0.00 1.25 0.00 0.00 42.46 42.89 2k3y s ILE 79 CO 0.25 -0.60 0.25 -2.28 0.24 0.00 0.00 174.94 172.80 2k3y s HIS 80 N -2.00 3.34 -0.28 1.37 5.65 -0.62 -3.13 115.29 119.62 2k3y s HIS 80 Ca -0.10 0.38 -0.29 0.00 0.25 0.00 0.00 55.06 55.30 2k3y s HIS 80 Cb -0.06 -2.37 -0.00 0.00 -1.18 0.00 0.00 32.58 28.97 2k3y s HIS 80 CO -0.03 0.04 1.32 0.71 -0.65 0.00 0.00 174.74 176.14 2k3y s TYR 81 N 1.14 2.65 0.47 3.88 1.51 -1.26 -1.43 117.35 124.31 2k3y s TYR 81 Ca 0.12 0.86 -0.19 0.00 -1.01 0.00 0.00 57.07 56.85 2k3y s TYR 81 Cb -0.14 -3.87 -0.10 0.00 -0.11 0.00 0.00 41.96 37.74 2k3y s TYR 81 CO 0.06 -1.81 0.97 -0.65 -1.11 0.00 0.00 175.55 173.00 2k3y s GLN 82 N 4.14 4.08 0.00 -0.62 -0.21 0.10 -2.67 119.66 124.49 2k3y s GLN 82 Ca 0.57 1.06 0.00 0.00 0.02 0.00 0.00 55.36 57.02 2k3y s GLN 82 Cb -0.18 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.68 2k3y s GLN 82 CO 0.23 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.65 2k3y n GLY 83 N -1.02 0.22 3.37 3.09 0.00 -1.26 -4.57 105.19 105.02 2k3y n GLY 83 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.54 1.65 0.87 1.61 0.52 -1.09 -5.16 118.94 115.80 2k3y s TRP 84 Ca 0.00 -1.26 -0.11 0.00 0.02 0.00 0.00 56.10 54.75 2k3y s TRP 84 Cb 0.00 -0.96 0.11 0.00 -1.15 0.00 0.00 33.47 31.47 2k3y s TRP 84 CO 0.00 -0.38 1.09 0.15 0.02 0.00 0.00 176.95 177.83 2k3y s LYS 85 N -3.86 1.49 0.55 4.98 1.02 -1.26 -4.85 119.74 117.80 2k3y s LYS 85 Ca 0.35 1.00 0.35 0.00 0.02 0.00 0.00 55.97 57.68 2k3y s LYS 85 Cb 0.06 -1.82 1.57 0.00 -0.52 0.00 0.00 37.83 37.11 2k3y s LYS 85 CO 0.16 -2.13 2.04 0.77 -0.92 0.00 0.00 175.35 175.27 2k3y h SER 86 N -1.47 0.00 -0.36 2.83 0.02 -2.01 -3.02 113.55 109.54 2k3y h SER 86 Ca -0.47 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.56 2k3y h SER 86 Cb 1.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 2k3y h SER 86 CO 0.52 0.00 0.25 0.28 -1.14 0.00 0.00 176.83 176.74 2k3y h SER 87 N 0.00 0.11 -0.28 3.07 0.02 -1.99 -1.45 113.55 113.03 2k3y h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3y h SER 87 Cb 0.37 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.89 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 -4.46 0.37 -1.79 3.45 7.02 -1.14 -4.77 117.44 116.12 2k3y n TRP 88 Ca 0.05 -0.18 -0.37 0.00 -1.02 0.00 0.00 57.50 55.98 2k3y n TRP 88 Cb 0.35 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.21 2k3y n TRP 88 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2k3y s ASP 89 N -1.07 4.82 0.20 -0.99 1.01 -0.55 -4.38 116.67 115.71 2k3y s ASP 89 Ca 0.21 0.69 -0.14 0.00 0.71 0.00 0.00 52.55 54.02 2k3y s ASP 89 Cb 0.11 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.53 2k3y s ASP 89 CO 0.15 -2.67 0.44 -0.70 0.21 0.00 0.00 175.17 172.59 2k3y s GLU 90 N 7.70 1.35 0.11 8.23 2.12 -1.18 -4.98 118.70 132.04 2k3y s GLU 90 Ca 0.83 -1.06 0.03 0.00 0.36 0.00 0.00 54.97 55.14 2k3y s GLU 90 Cb -0.15 0.46 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 2k3y s GLU 90 CO 0.23 -0.55 0.13 -1.58 -0.54 0.00 0.00 175.26 172.95 2k3y s TRP 91 N -3.94 3.24 0.18 5.30 0.52 -1.26 -1.37 118.94 121.62 2k3y s TRP 91 Ca 0.15 0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.38 2k3y s TRP 91 Cb 0.00 -1.61 -0.05 0.00 -1.15 0.00 0.00 33.47 30.67 2k3y s TRP 91 CO 0.01 0.53 -0.04 0.14 0.02 0.00 0.00 176.95 177.61 2k3y s VAL 92 N -1.53 0.96 0.48 4.03 -7.23 -0.64 -4.93 120.40 111.54 2k3y s VAL 92 Ca 0.31 -2.02 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 2k3y s VAL 92 Cb -0.12 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.76 2k3y s VAL 92 CO 0.24 -0.54 0.46 -0.83 -0.31 0.00 0.00 175.10 174.12 2k3y s GLY 93 N -3.21 2.14 0.35 2.32 0.00 -1.26 -1.69 107.32 105.97 2k3y s GLY 93 Ca 0.22 -1.72 0.24 0.00 0.00 0.00 0.00 44.72 43.46 2k3y s GLY 93 CO 0.04 -1.77 1.74 -1.82 0.00 0.00 0.00 173.10 171.29 2k3y h TYR 94 N 0.78 0.00 -0.08 1.90 5.03 -1.78 -0.86 116.97 121.96 2k3y h TYR 94 Ca -0.38 0.00 0.02 0.00 2.58 0.00 0.00 58.73 60.96 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 0.65 0.00 0.11 0.22 -1.32 0.00 0.00 178.16 177.82 2k3y h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.96 -3.31 116.42 112.62 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 -0.77 0.54 -2.88 0.00 0.00 179.24 176.13 2k3y n ARG 96 N -3.66 0.95 -3.76 0.28 1.74 -0.43 -4.96 116.66 106.83 2k3y n ARG 96 Ca -0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 2k3y n ARG 96 Cb 0.21 -0.89 -0.04 0.00 -1.02 0.00 0.00 32.46 30.73 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 -1.77 5.24 -0.03 0.55 2.07 -0.62 -1.13 121.20 125.51 2k3y s ILE 97 Ca 0.00 -0.28 -0.23 0.00 -1.41 0.00 0.00 60.65 58.72 2k3y s ILE 97 Cb 0.00 -3.68 0.05 0.00 0.13 0.00 0.00 42.46 38.96 2k3y s ILE 97 CO 0.00 -0.04 0.51 -0.13 -1.91 0.00 0.00 174.94 173.36 2k3y s ARG 98 N -2.96 0.88 0.69 3.50 0.52 0.20 -4.45 118.95 117.33 2k3y s ARG 98 Ca 0.38 0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.51 2k3y s ARG 98 Cb -0.12 0.41 0.01 0.00 0.52 0.00 0.00 34.95 35.77 2k3y s ARG 98 CO 0.28 -0.26 1.07 0.00 0.02 0.00 0.00 175.30 176.40 2k3y s ALA 99 N -1.29 2.60 -0.43 2.13 0.00 -1.26 0.07 121.76 123.58 2k3y s ALA 99 Ca -0.12 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.76 2k3y s ALA 99 Cb -0.02 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 2k3y s ALA 99 CO 0.07 -1.26 1.70 -0.47 0.00 0.00 0.00 175.76 175.80 2k3y s TYR 100 N -2.88 1.94 0.15 0.00 5.04 -0.40 -4.77 117.35 116.43 2k3y s TYR 100 Ca 0.60 0.66 -0.20 0.00 -2.44 0.00 0.00 57.07 55.69 2k3y s TYR 100 Cb -0.15 -4.18 0.05 0.00 0.35 0.00 0.00 41.96 38.03 2k3y s TYR 100 CO 0.51 -2.53 0.52 0.54 -1.34 0.00 0.00 175.55 173.25 2k3y s ASN 101 N 5.95 -0.41 0.39 4.32 2.20 -1.26 -4.55 114.94 121.58 2k3y s ASN 101 Ca 0.71 -0.17 0.14 0.00 -0.94 0.00 0.00 52.86 52.60 2k3y s ASN 101 Cb -0.17 0.55 0.97 0.00 -2.00 0.00 0.00 41.25 40.60 2k3y s ASN 101 CO 0.30 -0.94 1.86 -0.08 -2.94 0.00 0.00 177.10 175.30 2k3y h GLU 102 N 2.15 0.51 -0.46 3.55 4.81 -1.98 0.38 114.58 123.55 2k3y h GLU 102 Ca -0.33 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 2k3y h GLU 102 Cb 1.28 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2k3y h GLU 102 CO 0.41 0.33 0.23 1.49 -0.73 0.00 0.00 179.01 180.74 2k3y h GLU 103 N 0.52 0.66 0.00 1.92 4.81 -1.98 0.68 114.58 121.19 2k3y h GLU 103 Ca 0.46 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2k3y h GLU 103 Cb 0.99 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 2k3y h GLU 103 CO -0.20 0.55 -0.07 -0.91 -0.73 0.00 0.00 179.01 177.66 2k3y h ASN 104 N 0.60 0.00 0.42 1.04 2.35 -1.29 -1.70 115.58 117.00 2k3y h ASN 104 Ca 0.16 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.75 2k3y h ASN 104 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2k3y h ASN 104 CO -0.02 0.07 -0.69 0.40 -1.65 0.00 0.00 177.43 175.54 2k3y h ILE 105 N 0.00 1.42 -0.80 2.81 1.08 -0.62 0.26 117.51 121.65 2k3y h ILE 105 Ca -0.00 -2.17 -0.01 0.00 -0.39 0.00 0.00 64.86 62.28 2k3y h ILE 105 Cb 0.91 2.14 -0.04 0.00 -3.07 0.00 0.00 36.82 36.76 2k3y h ILE 105 CO 0.01 0.64 0.45 0.00 -0.69 0.00 0.00 178.15 178.55 2k3y h ALA 106 N 1.11 1.03 -0.01 1.87 0.00 -0.10 0.18 119.26 123.34 2k3y h ALA 106 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k3y h ALA 106 Cb 1.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2k3y h ALA 106 CO 0.11 0.54 -0.02 1.98 0.00 0.00 0.00 179.25 181.85 2k3y h MET 107 N 1.12 -0.03 -0.31 0.00 1.85 -1.12 -1.68 114.93 114.75 2k3y h MET 107 Ca 0.28 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.43 2k3y h MET 107 Cb 0.02 0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.01 2k3y h MET 107 CO -0.05 -0.02 0.02 -0.22 -0.40 0.00 0.00 176.91 176.24 2k3y h LYS 108 N -0.03 0.11 -0.00 0.39 3.64 0.35 -1.48 116.57 119.54 2k3y h LYS 108 Ca 0.01 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2k3y h LYS 108 Cb 0.05 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2k3y h LYS 108 CO -0.03 0.07 -0.52 1.57 -2.27 0.00 0.00 179.45 178.27 2k3y h LYS 109 N 0.11 0.36 -0.59 1.90 2.10 -0.65 0.17 116.57 119.97 2k3y h LYS 109 Ca 0.15 -0.38 0.07 0.00 -2.00 0.00 0.00 60.65 58.48 2k3y h LYS 109 Cb 0.19 0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.59 2k3y h LYS 109 CO -0.23 1.06 0.39 0.07 -2.00 0.00 0.00 179.45 178.74 2k3y h ARG 110 N -0.19 0.52 0.00 0.07 -0.00 -1.16 -0.33 114.38 113.29 2k3y h ARG 110 Ca -0.06 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.98 59.88 2k3y h ARG 110 Cb 1.24 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 31.09 2k3y h ARG 110 CO 0.10 0.35 -0.00 -0.07 -0.00 0.00 0.00 179.97 180.35 2k3y h LEU 111 N 0.54 -0.00 -1.93 0.08 3.38 -1.17 -2.99 115.31 113.22 2k3y h LEU 111 Ca 0.26 -0.87 0.30 0.00 0.09 0.00 0.00 57.88 57.66 2k3y h LEU 111 Cb 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2k3y h LEU 111 CO -0.07 0.89 0.81 0.00 0.09 0.00 0.00 178.44 180.16 2k3y h ALA 112 N 0.04 2.95 0.08 1.53 0.00 -0.39 0.09 119.26 123.57 2k3y h ALA 112 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k3y h ALA 112 Cb 0.88 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k3y h ALA 112 CO 0.00 -1.35 -0.04 -0.97 0.00 0.00 0.00 179.25 176.89 2k3y h ASN 113 N 0.00 -0.09 1.00 0.00 -1.24 -1.09 -3.38 115.58 110.78 2k3y h ASN 113 Ca 0.50 -0.52 0.00 0.00 0.71 0.00 0.00 56.30 56.99 2k3y h ASN 113 Cb 2.12 0.02 0.00 0.00 0.73 0.00 0.00 38.32 41.19 2k3y h ASN 113 CO -0.01 0.55 -0.46 -1.84 -1.29 0.00 0.00 177.43 174.39 2k3y n GLU 114 N -4.83 0.27 -1.68 6.67 0.28 -0.53 -4.97 120.64 115.85 2k3y n GLU 114 Ca -0.08 0.11 -0.60 0.00 -0.16 0.00 0.00 57.16 56.44 2k3y n GLU 114 Cb 0.30 -1.71 -0.08 0.00 1.43 0.00 0.00 31.44 31.38 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 -1.80 -0.99 -1.39 -1.84 0.00 -0.09 -4.87 120.51 109.52 2k3y n ALA 115 Ca 0.04 0.46 -0.39 0.00 0.00 0.00 0.00 53.44 53.55 2k3y n ALA 115 Cb 0.43 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 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 3.62 4.33 0.00 0.00 0.00 -1.26 -4.77 105.19 107.10 2k3y n GLY 116 Ca 0.26 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.78 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 3.68 0.00 -4.67 1.61 7.64 -1.26 -2.66 113.62 117.96 2k3y n SER 117 Ca 0.75 -0.01 -0.43 0.00 1.01 0.00 0.00 58.87 60.19 2k3y n SER 117 Cb 0.25 -0.18 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 2k3y n SER 117 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k3y n THR 118 N -1.18 1.82 -1.89 0.44 -2.24 -1.26 -4.92 114.28 105.05 2k3y n THR 118 Ca 0.05 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2k3y n THR 118 Cb 0.06 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 2k3y n THR 118 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k3y n GLY 119 N 1.10 0.45 0.27 3.38 0.00 -1.26 -4.12 105.19 105.00 2k3y n GLY 119 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2k3y n GLY 119 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k3y n SER 120 N 0.00 0.00 -3.89 1.61 3.41 -1.26 -5.00 113.62 108.50 2k3y n SER 120 Ca 0.00 -1.40 -0.09 0.00 -0.26 0.00 0.00 58.87 57.12 2k3y n SER 120 Cb 0.54 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 2k3y n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k3y s ALA 121 N 0.00 -0.58 -0.89 7.33 0.00 -1.26 -5.03 121.76 121.32 2k3y s ALA 121 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2k3y s ALA 121 Cb 0.00 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.06 2k3y s ALA 121 CO 0.00 -0.84 0.88 -2.30 0.00 0.00 0.00 175.76 173.50 2k3y n PRO 122 N -0.36 0.00 0.00 0.00 -0.02 -1.26 -1.11 135.00 132.25 2k3y n PRO 122 Ca -0.05 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 61.92 2k3y n PRO 122 Cb 0.62 -1.58 0.62 0.00 -0.02 0.00 0.00 33.50 33.14 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3y n ALA 123 N -1.38 2.26 -1.73 3.55 0.00 -1.26 -4.77 120.51 117.18 2k3y n ALA 123 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 2k3y n ALA 123 Cb 0.08 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 2k3y n ALA 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k3y s THR 124 N -2.22 3.15 0.00 0.00 2.01 -0.27 -4.62 115.64 113.69 2k3y s THR 124 Ca 0.29 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2k3y s THR 124 Cb 0.15 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.44 2k3y s THR 124 CO 0.29 -0.16 0.91 0.61 -0.69 0.00 0.00 174.62 175.58 2k3y n GLY 125 N 5.70 0.59 0.00 4.40 0.00 -1.26 -4.98 105.19 109.64 2k3y n GLY 125 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2k3y n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 126 N 0.00 0.73 0.00 -0.02 0.00 -1.09 -4.75 105.19 100.06 2k3y n GLY 126 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2k3y n GLY 126 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k3y n VAL 127 N 0.00 0.00 0.00 1.61 3.14 -1.26 -4.31 118.33 117.52 2k3y n VAL 127 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2k3y n VAL 127 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 2k3y n VAL 127 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2k3y n LYS 129 N 0.00 0.00 0.03 1.45 4.76 -1.26 -5.04 118.16 118.11 2k3y n LYS 129 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 2k3y n LYS 129 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 2k3y n LYS 129 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2k3y h PRO 130 N 0.00 0.08 -0.22 1.97 0.13 -2.01 -3.38 132.00 128.57 2k3y h PRO 130 Ca 0.00 -0.13 0.07 0.00 -0.87 0.00 0.00 66.00 65.07 2k3y h PRO 130 Cb 0.00 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 2k3y h PRO 130 CO 0.00 0.87 0.19 1.25 -0.23 0.00 0.00 178.00 180.09 2k3y h HIS 131 N 0.02 0.00 0.00 1.56 6.17 -2.01 -0.78 115.15 120.11 2k3y h HIS 131 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.91 2k3y h HIS 131 Cb 1.92 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.85 2k3y h HIS 131 CO 0.02 0.00 0.00 0.54 0.71 0.00 0.00 177.93 179.20 2k3y n ARG 132 N -4.12 0.49 -0.87 5.26 1.74 -1.26 -2.93 116.66 114.97 2k3y n ARG 132 Ca 0.02 0.04 0.05 0.00 -0.77 0.00 0.00 57.85 57.20 2k3y n ARG 132 Cb 0.33 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.39 2k3y n ARG 132 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2k3y n TYR 133 N -1.15 0.00 -0.45 -1.55 4.01 -0.30 -5.21 117.16 112.50 2k3y n TYR 133 Ca 0.13 -0.98 0.00 0.00 -0.16 0.00 0.00 57.90 56.89 2k3y n TYR 133 Cb 0.13 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 2k3y n TYR 133 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27