#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 2.39 0.02 2.03 -7.23 -1.26 -4.96 120.40 111.39 2k3y s VAL 2 Ca 0.00 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 2k3y s VAL 2 Cb 0.00 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2k3y s VAL 2 CO 0.00 -0.14 0.00 -0.67 -0.31 0.00 0.00 175.10 173.98 2k3y n ASP 3 N -3.57 -0.12 0.04 4.85 2.03 -1.26 -4.94 116.55 113.58 2k3y n ASP 3 Ca 0.12 0.03 -0.18 0.00 0.52 0.00 0.00 54.79 55.29 2k3y n ASP 3 Cb 0.52 0.38 -0.14 0.00 -0.72 0.00 0.00 41.12 41.15 2k3y n ASP 3 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2k3y h LEU 4 N 0.00 0.38 -1.31 -2.67 5.85 -1.95 -3.38 115.31 112.24 2k3y h LEU 4 Ca 0.00 -0.61 -0.03 0.00 0.84 0.00 0.00 57.88 58.08 2k3y h LEU 4 Cb 0.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2k3y h LEU 4 CO 0.00 1.52 0.14 -0.33 -0.34 0.00 0.00 178.44 179.43 2k3y h GLU 5 N 0.07 0.61 0.00 1.25 3.07 -1.94 -1.84 114.58 115.79 2k3y h GLU 5 Ca -0.30 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 2k3y h GLU 5 Cb 2.03 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.83 2k3y h GLU 5 CO 0.14 0.53 0.00 0.37 -1.40 0.00 0.00 179.01 178.66 2k3y h GLN 6 N 0.61 0.00 -6.72 2.33 4.15 -1.80 -3.42 115.11 110.26 2k3y h GLN 6 Ca 0.14 0.00 -0.45 0.00 0.77 0.00 0.00 58.65 59.11 2k3y h GLN 6 Cb 0.17 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.90 2k3y h GLN 6 CO -0.01 0.00 -0.09 -1.21 -1.93 0.00 0.00 178.83 175.59 2k3y s GLU 7 N -3.26 2.89 0.00 1.69 0.41 -0.69 -4.47 118.70 115.27 2k3y s GLU 7 Ca 0.07 -0.63 -0.09 0.00 -0.41 0.00 0.00 54.97 53.91 2k3y s GLU 7 Cb 0.10 -2.55 -0.11 0.00 -1.78 0.00 0.00 34.13 29.79 2k3y s GLU 7 CO 0.54 -0.40 1.00 1.97 -0.49 0.00 0.00 175.26 177.88 2k3y n PHE 8 N -2.14 0.00 -2.02 1.61 1.16 -1.26 -4.72 117.46 110.09 2k3y n PHE 8 Ca 0.04 -0.39 -0.41 0.00 -1.87 0.00 0.00 57.45 54.81 2k3y n PHE 8 Cb 0.58 -0.58 -0.02 0.00 -1.61 0.00 0.00 39.48 37.85 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 4.88 3.61 -1.51 1.98 0.00 -1.26 -4.85 121.76 124.62 2k3y s ALA 9 Ca 0.20 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.50 2k3y s ALA 9 Cb 0.04 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.68 2k3y s ALA 9 CO 0.10 -0.74 0.80 -0.11 0.00 0.00 0.00 175.76 175.81 2k3y n LEU 10 N 2.08 0.00 -1.13 0.00 0.00 -1.26 -1.14 117.00 115.54 2k3y n LEU 10 Ca 0.06 0.25 -0.06 0.00 0.00 0.00 0.00 56.01 56.26 2k3y n LEU 10 Cb 0.40 -0.25 -0.05 0.00 0.00 0.00 0.00 43.42 43.53 2k3y n LEU 10 CO 0.60 -0.24 0.33 0.61 0.00 0.00 0.00 177.39 178.70 2k3y n GLY 11 N -1.14 0.62 0.00 -3.96 0.00 -1.26 -4.19 105.19 95.26 2k3y n GLY 11 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.01 -0.74 3.94 -0.02 0.00 -0.29 -4.98 105.19 103.09 2k3y n GLY 12 Ca -0.24 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.42 3.45 0.25 1.61 0.52 -1.26 -4.22 118.95 117.88 2k3y s ARG 13 Ca 0.00 -0.57 0.04 0.00 -0.52 0.00 0.00 55.73 54.68 2k3y s ARG 13 Cb 0.00 -2.96 -0.05 0.00 0.52 0.00 0.00 34.95 32.46 2k3y s ARG 13 CO 0.00 0.51 -0.01 0.14 0.02 0.00 0.00 175.30 175.96 2k3y s VAL 14 N -1.75 1.21 -0.00 3.52 -7.23 -0.32 -0.56 120.40 115.27 2k3y s VAL 14 Ca 0.35 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2k3y s VAL 14 Cb -0.11 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 2k3y s VAL 14 CO 0.29 -0.28 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.95 2k3y s LEU 15 N -3.36 2.03 -0.04 1.32 2.01 0.10 -0.72 118.68 120.02 2k3y s LEU 15 Ca 0.30 -0.18 0.01 0.00 0.01 0.00 0.00 54.13 54.26 2k3y s LEU 15 Cb 0.06 -0.43 0.02 0.00 0.01 0.00 0.00 46.19 45.85 2k3y s LEU 15 CO 0.10 0.09 -0.04 0.00 1.01 0.00 0.00 176.35 177.51 2k3y s ALA 16 N -0.28 0.61 -0.33 4.21 0.00 -0.46 -0.98 121.76 124.54 2k3y s ALA 16 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 2k3y s ALA 16 Cb -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.69 2k3y s ALA 16 CO -0.00 -0.02 0.16 0.12 0.00 0.00 0.00 175.76 176.02 2k3y s PHE 17 N 0.91 3.19 -0.22 0.00 5.36 -0.70 -1.26 117.98 125.27 2k3y s PHE 17 Ca -0.11 -0.69 0.20 0.00 -0.96 0.00 0.00 56.93 55.37 2k3y s PHE 17 Cb -0.14 -2.37 0.01 0.00 -0.34 0.00 0.00 43.02 40.18 2k3y s PHE 17 CO -0.00 -0.51 1.10 0.45 -1.46 0.00 0.00 175.22 174.80 2k3y h HIS 18 N 8.37 0.00 0.00 10.12 3.86 -1.25 -3.44 115.15 132.80 2k3y h HIS 18 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 2k3y h HIS 18 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2k3y h HIS 18 CO 0.62 0.22 0.00 0.41 0.86 0.00 0.00 177.93 180.05 2k3y n GLY 19 N 1.24 0.91 0.16 2.45 0.00 -1.26 -4.88 105.19 103.80 2k3y n GLY 19 Ca -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 0.18 -3.85 1.61 0.13 -1.95 -3.47 132.00 124.65 2k3y h PRO 20 Ca 0.00 -0.12 -0.16 0.00 -0.87 0.00 0.00 66.00 64.84 2k3y h PRO 20 Cb 0.00 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 31.07 2k3y h PRO 20 CO 0.00 0.73 -0.14 -1.17 -0.23 0.00 0.00 178.00 177.20 2k3y s LEU 21 N -7.84 0.64 0.03 1.56 0.20 -1.26 -5.01 118.68 107.00 2k3y s LEU 21 Ca -0.03 -1.22 0.00 0.00 0.69 0.00 0.00 54.13 53.57 2k3y s LEU 21 Cb 0.12 1.67 -0.02 0.00 -0.43 0.00 0.00 46.19 47.53 2k3y s LEU 21 CO 0.79 -1.25 -0.04 -0.32 -0.29 0.00 0.00 176.35 175.24 2k3y s MET 22 N -3.42 0.37 0.08 1.98 -2.45 -1.26 -0.71 119.30 113.89 2k3y s MET 22 Ca 0.26 -0.66 0.01 0.00 -1.25 0.00 0.00 55.69 54.05 2k3y s MET 22 Cb -0.01 0.03 -0.04 0.00 1.25 0.00 0.00 34.83 36.06 2k3y s MET 22 CO 0.14 -0.03 -0.05 0.71 1.05 0.00 0.00 175.02 176.84 2k3y s TYR 23 N -1.53 0.76 0.46 4.11 2.02 -0.39 -4.98 117.35 117.82 2k3y s TYR 23 Ca -0.14 -0.97 -0.21 0.00 -0.37 0.00 0.00 57.07 55.38 2k3y s TYR 23 Cb -0.09 -0.47 -0.09 0.00 -0.40 0.00 0.00 41.96 40.91 2k3y s TYR 23 CO -0.01 -0.23 1.04 -1.21 -1.57 0.00 0.00 175.55 173.57 2k3y s GLU 24 N -3.86 3.90 0.06 -0.62 8.01 -1.26 -1.35 118.70 123.58 2k3y s GLU 24 Ca 0.10 1.41 -0.00 0.00 0.01 0.00 0.00 54.97 56.49 2k3y s GLU 24 Cb 0.06 -2.22 -0.04 0.00 -4.31 0.00 0.00 34.13 27.62 2k3y s GLU 24 CO -0.07 -0.35 -0.04 0.00 0.01 0.00 0.00 175.26 174.81 2k3y s ALA 25 N -1.89 0.65 -0.33 5.21 0.00 0.10 -1.38 121.76 124.12 2k3y s ALA 25 Ca 0.65 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 51.40 2k3y s ALA 25 Cb -0.18 0.22 0.15 0.00 0.00 0.00 0.00 23.12 23.31 2k3y s ALA 25 CO 0.22 -0.31 0.34 0.21 0.00 0.00 0.00 175.76 176.22 2k3y s LYS 26 N -3.73 0.47 0.70 0.00 2.36 -0.60 -1.17 119.74 117.76 2k3y s LYS 26 Ca 0.07 -0.45 -0.16 0.00 -2.55 0.00 0.00 55.97 52.88 2k3y s LYS 26 Cb 0.06 -0.66 -0.02 0.00 -1.05 0.00 0.00 37.83 36.16 2k3y s LYS 26 CO -0.08 -1.11 0.85 -0.89 1.55 0.00 0.00 175.35 175.68 2k3y n ILE 27 N 4.84 2.75 0.00 5.43 5.41 -1.26 -1.38 119.36 135.14 2k3y n ILE 27 Ca 0.04 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.38 2k3y n ILE 27 Cb 0.46 -1.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 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 -1.14 0.00 -4.01 1.39 -0.00 -0.72 -4.49 117.00 108.03 2k3y n LEU 28 Ca 0.12 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.93 2k3y n LEU 28 Cb 0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.76 2k3y n LEU 28 CO 0.49 0.00 -0.44 -0.75 -0.00 0.00 0.00 177.39 176.69 2k3y s LYS 29 N -1.00 0.93 0.18 1.47 2.20 -1.23 -2.75 119.74 119.55 2k3y s LYS 29 Ca 0.00 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 2k3y s LYS 29 Cb 0.00 -0.88 -0.04 0.00 -1.51 0.00 0.00 37.83 35.40 2k3y s LYS 29 CO 0.00 0.14 0.05 0.96 -0.36 0.00 0.00 175.35 176.14 2k3y s ILE 30 N 0.09 0.43 0.03 5.43 -0.00 0.25 -0.61 121.20 126.82 2k3y s ILE 30 Ca -0.01 -1.97 -0.05 0.00 -0.00 0.00 0.00 60.65 58.62 2k3y s ILE 30 Cb -0.07 -2.24 -0.01 0.00 -0.00 0.00 0.00 42.46 40.14 2k3y s ILE 30 CO 0.00 -0.33 0.08 0.86 -0.00 0.00 0.00 174.94 175.55 2k3y s TRP 31 N -3.83 0.19 -0.12 1.37 -0.11 -0.01 -1.22 118.94 115.22 2k3y s TRP 31 Ca 0.28 -0.46 -0.10 0.00 1.22 0.00 0.00 56.10 57.05 2k3y s TRP 31 Cb 0.07 -0.14 0.04 0.00 -1.50 0.00 0.00 33.47 31.93 2k3y s TRP 31 CO 0.06 -0.32 0.31 0.34 -4.62 0.00 0.00 176.95 172.72 2k3y s ASP 32 N -1.90 -0.33 0.06 5.86 -1.08 -1.25 -1.61 116.67 116.42 2k3y s ASP 32 Ca -0.08 0.64 0.11 0.00 -0.52 0.00 0.00 52.55 52.69 2k3y s ASP 32 Cb -0.04 0.61 0.48 0.00 -1.46 0.00 0.00 42.92 42.52 2k3y s ASP 32 CO -0.03 -0.13 1.34 -0.81 0.52 0.00 0.00 175.17 176.07 2k3y n PRO 33 N 3.25 0.03 0.12 4.34 -0.04 -1.25 -2.59 135.00 138.86 2k3y n PRO 33 Ca -0.16 0.39 0.02 0.00 -0.04 0.00 0.00 63.50 63.71 2k3y n PRO 33 Cb 0.57 -1.58 0.35 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.20 0.00 3.54 0.02 -1.93 -3.15 113.55 112.23 2k3y h SER 34 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2k3y h SER 34 Cb 0.15 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2k3y h SER 34 CO 0.00 0.43 0.00 -1.20 -1.14 0.00 0.00 176.83 174.92 2k3y n SER 35 N -4.20 0.20 -4.04 3.07 7.64 -1.25 -5.03 113.62 110.01 2k3y n SER 35 Ca -0.01 -0.54 -0.28 0.00 1.01 0.00 0.00 58.87 59.05 2k3y n SER 35 Cb 0.33 0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 64.07 2k3y n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k3y n LYS 36 N -0.58 -3.00 -3.84 1.43 5.02 -1.07 -4.98 118.16 111.14 2k3y n LYS 36 Ca 0.00 0.36 -0.09 0.00 -2.02 0.00 0.00 58.31 56.56 2k3y n LYS 36 Cb 0.01 -4.51 -0.08 0.00 -0.02 0.00 0.00 35.03 30.44 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 -6.71 0.80 0.48 1.97 -1.94 -1.26 -4.69 119.30 107.95 2k3y s MET 37 Ca 0.12 -0.83 0.07 0.00 -1.71 0.00 0.00 55.69 53.33 2k3y s MET 37 Cb -0.07 0.33 0.01 0.00 2.01 0.00 0.00 34.83 37.11 2k3y s MET 37 CO 0.91 -0.25 0.38 1.52 -0.01 0.00 0.00 175.02 177.56 2k3y s TYR 38 N -3.41 2.15 -0.01 -0.03 -0.85 -1.25 -3.97 117.35 109.98 2k3y s TYR 38 Ca 0.01 -0.67 -0.11 0.00 -0.52 0.00 0.00 57.07 55.78 2k3y s TYR 38 Cb 0.03 -2.03 0.01 0.00 0.38 0.00 0.00 41.96 40.36 2k3y s TYR 38 CO -0.09 -0.28 0.23 0.95 -1.52 0.00 0.00 175.55 174.85 2k3y s THR 39 N -2.64 0.07 0.17 -3.49 -4.23 -0.36 -4.07 115.64 101.09 2k3y s THR 39 Ca 0.41 -0.54 -0.08 0.00 -1.18 0.00 0.00 61.69 60.31 2k3y s THR 39 Cb -0.02 -0.52 -0.01 0.00 1.34 0.00 0.00 72.50 73.29 2k3y s THR 39 CO 0.24 -0.30 0.26 -0.55 -0.54 0.00 0.00 174.62 173.74 2k3y s SER 40 N -1.27 0.07 0.06 3.99 0.15 -1.26 -0.58 113.70 114.86 2k3y s SER 40 Ca -0.13 -0.95 -0.11 0.00 0.70 0.00 0.00 55.95 55.46 2k3y s SER 40 Cb -0.06 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 2k3y s SER 40 CO 0.03 -0.89 0.23 0.27 1.20 0.00 0.00 173.24 174.08 2k3y s ILE 41 N -3.99 0.11 -0.33 6.45 -4.36 -1.11 -1.01 121.20 116.96 2k3y s ILE 41 Ca 0.20 -0.92 -0.28 0.00 -0.26 0.00 0.00 60.65 59.39 2k3y s ILE 41 Cb 0.04 -1.07 -0.01 0.00 1.25 0.00 0.00 42.46 42.67 2k3y s ILE 41 CO 0.02 -0.51 1.75 -2.16 0.24 0.00 0.00 174.94 174.28 2k3y s PRO 42 N -3.04 3.38 0.00 0.37 0.04 -1.25 -4.69 135.00 129.81 2k3y s PRO 42 Ca -0.01 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2k3y s PRO 42 Cb 0.01 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2k3y s PRO 42 CO -0.06 -1.80 0.00 -1.71 0.04 0.00 0.00 177.00 173.46 2k3y n ASN 43 N 10.06 0.00 -0.70 6.66 2.85 -1.26 -5.01 115.26 127.86 2k3y n ASN 43 Ca 0.22 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 2k3y n ASN 43 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 2k3y n ASN 43 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2k3y n ASP 44 N 0.00 0.00 -3.60 1.20 5.75 -1.26 -5.07 116.55 113.57 2k3y n ASP 44 Ca 0.00 -0.70 -0.29 0.00 -0.01 0.00 0.00 54.79 53.79 2k3y n ASP 44 Cb 0.00 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 2k3y n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2k3y s LYS 45 N -1.10 0.57 0.65 0.11 1.02 -1.26 -1.35 119.74 118.37 2k3y s LYS 45 Ca 0.00 -1.08 0.30 0.00 0.02 0.00 0.00 55.97 55.22 2k3y s LYS 45 Cb 0.00 -1.59 1.65 0.00 -0.52 0.00 0.00 37.83 37.37 2k3y s LYS 45 CO 0.00 -1.08 1.95 -1.35 -0.92 0.00 0.00 175.35 173.96 2k3y h PRO 46 N 7.76 0.00 0.00 -1.68 0.11 -1.90 -3.46 132.00 132.82 2k3y h PRO 46 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2k3y h PRO 46 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2k3y h PRO 46 CO 0.41 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.61 2k3y n GLY 47 N -1.28 2.86 0.12 -0.55 0.00 -1.26 -4.71 105.19 100.38 2k3y n GLY 47 Ca -0.00 -0.77 0.13 0.00 0.00 0.00 0.00 46.02 45.38 2k3y n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 48 N 0.00 -1.58 2.91 -0.02 0.00 -1.26 -4.77 105.19 100.47 2k3y n GLY 48 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.48 0.26 0.45 1.61 0.01 -1.26 -5.06 113.70 105.23 2k3y s SER 49 Ca 0.08 -0.07 0.18 0.00 1.31 0.00 0.00 55.95 57.46 2k3y s SER 49 Cb 0.11 -0.02 1.07 0.00 0.21 0.00 0.00 66.02 67.39 2k3y s SER 49 CO 0.53 0.01 1.98 0.28 0.41 0.00 0.00 173.24 176.45 2k3y h SER 50 N 6.00 0.00 -4.46 2.44 0.02 -1.95 -3.25 113.55 112.35 2k3y h SER 50 Ca -0.26 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.83 2k3y h SER 50 Cb 1.20 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.57 2k3y h SER 50 CO 0.50 0.21 0.58 0.00 -1.14 0.00 0.00 176.83 176.98 2k3y s GLN 51 N -4.40 0.66 0.47 3.45 -2.07 -1.26 -4.78 119.66 111.73 2k3y s GLN 51 Ca -0.03 -0.19 -0.22 0.00 -1.82 0.00 0.00 55.36 53.10 2k3y s GLN 51 Cb 0.15 0.30 -0.08 0.00 -1.09 0.00 0.00 33.01 32.29 2k3y s GLN 51 CO 0.67 -0.28 1.09 0.00 -1.32 0.00 0.00 175.29 175.45 2k3y s ALA 52 N -2.67 2.91 0.00 2.60 0.00 -0.46 -4.92 121.76 119.22 2k3y s ALA 52 Ca 0.05 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2k3y s ALA 52 Cb -0.01 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2k3y s ALA 52 CO -0.07 -0.47 0.00 0.25 0.00 0.00 0.00 175.76 175.48 2k3y n THR 53 N -0.70 0.00 -3.23 0.00 -2.24 -1.26 -4.41 114.28 102.43 2k3y n THR 53 Ca 0.08 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 2k3y n THR 53 Cb 0.50 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 2k3y n THR 53 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2k3y n LYS 54 N -2.19 0.00 -1.75 -0.78 5.02 -1.26 -4.46 118.16 112.74 2k3y n LYS 54 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2k3y n LYS 54 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2k3y n LYS 54 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2k3y s GLU 55 N -0.36 3.56 0.08 1.97 2.12 -1.26 -3.88 118.70 120.93 2k3y s GLU 55 Ca 0.00 2.08 -0.30 0.00 0.36 0.00 0.00 54.97 57.11 2k3y s GLU 55 Cb 0.00 -4.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.10 2k3y s GLU 55 CO 0.00 -1.61 1.00 0.42 -0.54 0.00 0.00 175.26 174.53 2k3y s ILE 56 N 6.52 4.51 0.25 -3.70 1.01 -0.18 -4.98 121.20 124.63 2k3y s ILE 56 Ca 0.90 1.98 -0.30 0.00 0.00 0.00 0.00 60.65 63.23 2k3y s ILE 56 Cb -0.33 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 37.77 2k3y s ILE 56 CO 0.36 0.26 1.42 -0.54 0.00 0.00 0.00 174.94 176.43 2k3y s LYS 57 N 0.31 4.28 0.25 2.79 3.01 -1.26 -4.17 119.74 124.95 2k3y s LYS 57 Ca 0.49 2.28 -0.30 0.00 -1.01 0.00 0.00 55.97 57.44 2k3y s LYS 57 Cb -0.24 -3.11 -0.09 0.00 -1.01 0.00 0.00 37.83 33.38 2k3y s LYS 57 CO 0.30 -0.39 1.20 -1.25 0.51 0.00 0.00 175.35 175.72 2k3y s PRO 58 N -0.51 4.50 0.06 -1.68 0.04 -1.26 -4.94 135.00 131.22 2k3y s PRO 58 Ca 0.58 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 2k3y s PRO 58 Cb -0.41 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 2k3y s PRO 58 CO 0.44 -0.03 -0.02 -0.65 0.04 0.00 0.00 177.00 176.78 2k3y s GLN 59 N -0.94 0.67 -0.05 4.56 -0.21 -1.26 -4.96 119.66 117.46 2k3y s GLN 59 Ca 0.50 -1.26 -0.30 0.00 0.02 0.00 0.00 55.36 54.32 2k3y s GLN 59 Cb -0.34 0.18 -0.06 0.00 1.00 0.00 0.00 33.01 33.80 2k3y s GLN 59 CO 0.42 -0.12 1.65 0.15 -2.12 0.00 0.00 175.29 175.26 2k3y s LYS 60 N -3.93 4.18 0.65 2.91 -0.14 -1.26 -3.95 119.74 118.20 2k3y s LYS 60 Ca 0.09 2.18 -0.18 0.00 -1.36 0.00 0.00 55.97 56.71 2k3y s LYS 60 Cb 0.08 -3.98 -0.01 0.00 -1.68 0.00 0.00 37.83 32.24 2k3y s LYS 60 CO -0.08 -0.84 1.27 -1.17 -0.76 0.00 0.00 175.35 173.77 2k3y s LEU 61 N 4.01 3.54 0.00 3.17 2.96 -1.26 -4.67 118.68 126.43 2k3y s LEU 61 Ca 0.73 2.55 0.00 0.00 -0.22 0.00 0.00 54.13 57.19 2k3y s LEU 61 Cb -0.33 -4.61 0.00 0.00 0.50 0.00 0.00 46.19 41.75 2k3y s LEU 61 CO 0.29 -2.00 0.00 0.61 -1.32 0.00 0.00 176.35 173.93 2k3y n GLY 62 N 0.77 1.92 0.08 7.98 0.00 -1.25 -5.05 105.19 109.64 2k3y n GLY 62 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2k3y n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k3y n GLU 63 N -0.25 0.64 0.00 1.61 1.02 -1.26 -4.83 120.64 117.57 2k3y n GLU 63 Ca 0.00 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 2k3y n GLU 63 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 2k3y n GLU 63 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k3y n ASP 64 N -3.07 0.00 -4.78 1.62 2.03 -1.26 -5.10 116.55 105.99 2k3y n ASP 64 Ca -0.18 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.82 2k3y n ASP 64 Cb 1.05 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 41.53 2k3y n ASP 64 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2k3y s GLU 65 N -1.00 2.44 0.12 -0.67 1.03 -1.26 -5.09 118.70 114.27 2k3y s GLU 65 Ca 0.00 1.12 -0.17 0.00 0.03 0.00 0.00 54.97 55.95 2k3y s GLU 65 Cb 0.00 -1.92 0.04 0.00 -0.80 0.00 0.00 34.13 31.44 2k3y s GLU 65 CO 0.00 -1.49 0.41 -1.12 -1.33 0.00 0.00 175.26 171.73 2k3y s SER 66 N -3.49 -0.26 -0.09 0.83 0.01 -1.26 -3.92 113.70 105.53 2k3y s SER 66 Ca 0.60 -0.26 -0.04 0.00 1.31 0.00 0.00 55.95 57.57 2k3y s SER 66 Cb -0.16 0.47 0.05 0.00 0.21 0.00 0.00 66.02 66.59 2k3y s SER 66 CO 0.55 -0.83 0.19 -0.51 0.41 0.00 0.00 173.24 173.05 2k3y s ILE 67 N -3.63 -0.14 0.67 1.44 2.07 -1.26 -4.73 121.20 115.63 2k3y s ILE 67 Ca 0.02 0.22 -0.15 0.00 -1.41 0.00 0.00 60.65 59.33 2k3y s ILE 67 Cb 0.01 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.30 2k3y s ILE 67 CO -0.11 0.09 1.12 -2.16 -1.91 0.00 0.00 174.94 171.98 2k3y s PRO 68 N 1.59 2.71 0.51 3.50 0.04 -1.26 -4.83 135.00 137.25 2k3y s PRO 68 Ca -0.05 1.43 0.29 0.00 0.04 0.00 0.00 61.00 62.71 2k3y s PRO 68 Cb -0.11 -1.93 1.58 0.00 0.04 0.00 0.00 34.50 34.07 2k3y s PRO 68 CO -0.07 -1.33 1.87 0.93 0.04 0.00 0.00 177.00 178.44 2k3y h GLU 69 N -0.03 0.00 0.00 4.56 5.08 -2.01 -0.50 114.58 121.68 2k3y h GLU 69 Ca -0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 2k3y h GLU 69 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2k3y h GLU 69 CO 0.53 0.00 -0.14 0.93 -1.00 0.00 0.00 179.01 179.33 2k3y h GLU 70 N 0.00 0.00 0.00 2.33 5.08 -2.03 -3.33 114.58 116.64 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 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2k3y h GLU 70 CO 0.00 0.14 -0.36 0.44 -1.00 0.00 0.00 179.01 178.23 2k3y n ILE 71 N -3.72 0.00 -0.30 3.13 -5.35 -0.25 -4.58 119.36 108.29 2k3y n ILE 71 Ca -0.02 -0.19 0.09 0.00 -0.27 0.00 0.00 62.75 62.37 2k3y n ILE 71 Cb 0.25 0.69 0.25 0.00 -1.74 0.00 0.00 39.64 39.09 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 -0.04 7.28 1.08 -1.51 -2.76 117.51 122.19 2k3y h ILE 72 Ca 0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 2k3y h ILE 72 Cb 0.00 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 33.81 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 -4.94 0.23 -1.28 1.72 0.23 -1.26 -3.85 115.26 106.12 2k3y n ASN 73 Ca 0.18 -1.97 -0.01 0.00 -0.53 0.00 0.00 54.58 52.25 2k3y n ASN 73 Cb 0.51 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 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 0.58 1.94 3.75 4.83 0.00 -1.04 -4.80 105.19 110.45 2k3y n GLY 74 Ca 0.02 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 2k3y n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3y n LYS 75 N -0.08 2.47 -4.02 1.61 4.76 -1.26 -4.12 118.16 117.52 2k3y n LYS 75 Ca -0.01 0.87 -0.11 0.00 -2.87 0.00 0.00 58.31 56.19 2k3y n LYS 75 Cb 0.09 -2.57 -0.11 0.00 -1.84 0.00 0.00 35.03 30.60 2k3y n LYS 75 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k3y s SER 76 N -0.23 0.50 -0.15 4.39 0.01 -0.63 -4.34 113.70 113.26 2k3y s SER 76 Ca 0.55 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 57.29 2k3y s SER 76 Cb -0.50 0.06 0.05 0.00 0.21 0.00 0.00 66.02 65.85 2k3y s SER 76 CO 0.63 -0.24 0.02 -0.36 0.41 0.00 0.00 173.24 173.70 2k3y s PHE 77 N -1.34 0.88 -0.10 2.43 0.08 -0.79 -0.82 117.98 118.33 2k3y s PHE 77 Ca -0.12 -0.59 -0.30 0.00 0.12 0.00 0.00 56.93 56.04 2k3y s PHE 77 Cb -0.09 -0.94 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 2k3y s PHE 77 CO -0.00 -0.50 1.06 0.12 -0.10 0.00 0.00 175.22 175.79 2k3y s PHE 78 N 1.90 3.43 0.06 0.36 5.36 0.22 -1.61 117.98 127.71 2k3y s PHE 78 Ca 0.01 1.50 0.03 0.00 -0.96 0.00 0.00 56.93 57.51 2k3y s PHE 78 Cb -0.15 -3.25 -0.03 0.00 -0.34 0.00 0.00 43.02 39.25 2k3y s PHE 78 CO -0.07 -0.50 -0.08 0.96 -1.46 0.00 0.00 175.22 174.06 2k3y s ILE 79 N 2.09 0.66 -0.33 3.12 -4.36 -0.86 -1.76 121.20 119.76 2k3y s ILE 79 Ca 0.50 -1.28 -0.12 0.00 -0.26 0.00 0.00 60.65 59.49 2k3y s ILE 79 Cb -0.20 -0.88 -0.02 0.00 1.25 0.00 0.00 42.46 42.61 2k3y s ILE 79 CO 0.19 -0.45 0.21 -2.28 0.24 0.00 0.00 174.94 172.85 2k3y s HIS 80 N -1.79 3.22 -0.03 1.37 5.65 -0.48 -3.43 115.29 119.80 2k3y s HIS 80 Ca -0.05 -0.25 -0.30 0.00 0.25 0.00 0.00 55.06 54.72 2k3y s HIS 80 Cb -0.07 -2.44 -0.06 0.00 -1.18 0.00 0.00 32.58 28.83 2k3y s HIS 80 CO -0.00 -0.36 1.63 0.71 -0.65 0.00 0.00 174.74 176.07 2k3y s TYR 81 N 1.70 2.13 0.55 3.88 2.02 -1.26 -1.56 117.35 124.80 2k3y s TYR 81 Ca 0.06 0.27 -0.13 0.00 -0.37 0.00 0.00 57.07 56.90 2k3y s TYR 81 Cb -0.17 -3.90 -0.06 0.00 -0.40 0.00 0.00 41.96 37.43 2k3y s TYR 81 CO 0.10 -3.73 0.98 -0.65 -1.57 0.00 0.00 175.55 170.67 2k3y s GLN 82 N 3.65 3.76 -0.19 -0.62 -0.21 -0.48 -3.19 119.66 122.38 2k3y s GLN 82 Ca 0.73 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.89 2k3y s GLN 82 Cb -0.34 -2.15 0.00 0.00 1.00 0.00 0.00 33.01 31.52 2k3y s GLN 82 CO 0.30 -0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 2k3y n GLY 83 N -2.10 0.28 3.26 3.09 0.00 -1.26 -4.48 105.19 103.98 2k3y n GLY 83 Ca 0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.37 1.32 1.09 1.61 0.23 -1.19 -5.16 118.94 115.47 2k3y s TRP 84 Ca 0.00 -1.15 -0.13 0.00 -2.03 0.00 0.00 56.10 52.79 2k3y s TRP 84 Cb 0.00 -0.75 0.24 0.00 0.03 0.00 0.00 33.47 32.99 2k3y s TRP 84 CO 0.00 -0.34 1.06 0.15 0.96 0.00 0.00 176.95 178.77 2k3y s LYS 85 N -4.01 -0.29 0.06 4.98 1.02 -1.26 -4.88 119.74 115.36 2k3y s LYS 85 Ca 0.32 0.72 0.27 0.00 0.02 0.00 0.00 55.97 57.30 2k3y s LYS 85 Cb 0.07 -1.64 0.90 0.00 -0.52 0.00 0.00 37.83 36.65 2k3y s LYS 85 CO 0.09 -3.27 1.73 0.43 -0.92 0.00 0.00 175.35 173.41 2k3y n SER 86 N -4.58 0.35 -0.09 2.83 7.64 -1.26 -3.76 113.62 114.75 2k3y n SER 86 Ca 0.04 0.32 0.13 0.00 1.01 0.00 0.00 58.87 60.38 2k3y n SER 86 Cb 0.55 -0.33 0.52 0.00 -1.01 0.00 0.00 64.21 63.94 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 0.34 -0.08 6.43 0.02 -1.93 -2.55 113.55 115.78 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 0.58 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2k3y h SER 87 CO 0.00 0.20 0.00 0.79 -1.14 0.00 0.00 176.83 176.68 2k3y n TRP 88 N -4.46 0.10 -1.96 3.45 7.02 -1.25 -4.90 117.44 115.44 2k3y n TRP 88 Ca 0.11 -0.05 -0.42 0.00 -1.02 0.00 0.00 57.50 56.11 2k3y n TRP 88 Cb 0.43 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.29 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 -1.58 6.55 0.17 -0.99 1.11 -0.96 -4.79 116.67 116.18 2k3y s ASP 89 Ca 0.30 2.21 -0.20 0.00 0.18 0.00 0.00 52.55 55.04 2k3y s ASP 89 Cb 0.15 -2.53 0.05 0.00 1.07 0.00 0.00 42.92 41.66 2k3y s ASP 89 CO 0.24 -1.03 0.54 -0.70 1.18 0.00 0.00 175.17 175.40 2k3y s GLU 90 N 4.27 1.29 0.17 8.23 2.12 -1.22 -5.00 118.70 128.57 2k3y s GLU 90 Ca 0.76 -0.68 -0.02 0.00 0.36 0.00 0.00 54.97 55.40 2k3y s GLU 90 Cb -0.34 0.54 -0.05 0.00 0.26 0.00 0.00 34.13 34.55 2k3y s GLU 90 CO 0.31 -0.55 0.37 -1.58 -0.54 0.00 0.00 175.26 173.28 2k3y s TRP 91 N -3.81 3.48 0.12 5.30 0.52 -1.26 -2.03 118.94 121.26 2k3y s TRP 91 Ca 0.04 0.40 0.05 0.00 0.02 0.00 0.00 56.10 56.61 2k3y s TRP 91 Cb -0.01 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.39 2k3y s TRP 91 CO -0.08 0.41 -0.12 0.14 0.02 0.00 0.00 176.95 177.32 2k3y s VAL 92 N -1.78 1.16 0.50 4.03 -7.23 -0.63 -4.93 120.40 111.52 2k3y s VAL 92 Ca 0.39 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.81 2k3y s VAL 92 Cb -0.11 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.31 2k3y s VAL 92 CO 0.28 -0.53 0.72 -0.83 -0.31 0.00 0.00 175.10 174.43 2k3y s GLY 93 N -2.59 1.72 0.51 2.32 0.00 -1.26 -1.88 107.32 106.13 2k3y s GLY 93 Ca 0.09 -1.22 0.29 0.00 0.00 0.00 0.00 44.72 43.88 2k3y s GLY 93 CO 0.02 -0.99 1.86 -1.82 0.00 0.00 0.00 173.10 172.16 2k3y h TYR 94 N 0.23 0.00 -0.10 1.90 5.03 -1.78 -0.43 116.97 121.82 2k3y h TYR 94 Ca -0.44 0.00 0.03 0.00 2.58 0.00 0.00 58.73 60.90 2k3y h TYR 94 Cb 1.28 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.55 2k3y h TYR 94 CO 0.41 0.00 0.18 0.22 -1.32 0.00 0.00 178.16 177.65 2k3y h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.95 -3.30 116.42 112.64 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 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2k3y h ASP 95 CO 0.00 0.00 -0.80 0.54 -2.88 0.00 0.00 179.24 176.10 2k3y n ARG 96 N -3.45 0.46 -3.47 0.28 1.74 -0.26 -4.96 116.66 106.99 2k3y n ARG 96 Ca -0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2k3y n ARG 96 Cb 0.28 -0.90 -0.03 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.80 5.10 0.13 0.55 2.07 -0.66 -1.72 121.20 124.86 2k3y s ILE 97 Ca 0.00 -0.16 -0.16 0.00 -1.41 0.00 0.00 60.65 58.91 2k3y s ILE 97 Cb 0.00 -3.75 0.04 0.00 0.13 0.00 0.00 42.46 38.88 2k3y s ILE 97 CO 0.00 -0.30 0.41 -0.13 -1.91 0.00 0.00 174.94 173.01 2k3y s ARG 98 N -3.56 1.09 0.90 3.50 0.52 -0.15 -4.46 118.95 116.79 2k3y s ARG 98 Ca 0.41 -0.71 -0.13 0.00 -0.52 0.00 0.00 55.73 54.79 2k3y s ARG 98 Cb -0.11 0.48 0.13 0.00 0.52 0.00 0.00 34.95 35.97 2k3y s ARG 98 CO 0.30 -0.43 1.16 0.00 0.02 0.00 0.00 175.30 176.35 2k3y s ALA 99 N -3.81 1.95 -0.23 2.13 0.00 -1.26 0.02 121.76 120.57 2k3y s ALA 99 Ca 0.03 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 2k3y s ALA 99 Cb 0.02 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 2k3y s ALA 99 CO -0.12 -2.21 1.59 -0.47 0.00 0.00 0.00 175.76 174.55 2k3y s TYR 100 N -3.37 2.16 0.16 0.00 6.14 0.28 -4.54 117.35 118.17 2k3y s TYR 100 Ca 0.64 0.57 -0.24 0.00 0.64 0.00 0.00 57.07 58.69 2k3y s TYR 100 Cb -0.13 -3.97 0.06 0.00 0.42 0.00 0.00 41.96 38.34 2k3y s TYR 100 CO 0.52 -2.83 0.72 0.54 0.64 0.00 0.00 175.55 175.14 2k3y s ASN 101 N 4.09 -0.41 0.42 4.32 2.20 -1.26 -4.53 114.94 119.77 2k3y s ASN 101 Ca 0.70 -0.20 0.15 0.00 -0.94 0.00 0.00 52.86 52.57 2k3y s ASN 101 Cb -0.24 0.58 1.04 0.00 -2.00 0.00 0.00 41.25 40.63 2k3y s ASN 101 CO 0.29 -1.00 1.92 -0.08 -2.94 0.00 0.00 177.10 175.29 2k3y h GLU 102 N 2.00 0.42 -0.60 3.55 4.81 -1.98 -0.32 114.58 122.45 2k3y h GLU 102 Ca -0.27 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 2k3y h GLU 102 Cb 1.27 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 2k3y h GLU 102 CO 0.32 0.28 0.20 1.49 -0.73 0.00 0.00 179.01 180.56 2k3y h GLU 103 N 0.43 0.93 0.00 1.92 4.81 -1.97 0.70 114.58 121.40 2k3y h GLU 103 Ca 0.37 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 2k3y h GLU 103 Cb 0.83 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2k3y h GLU 103 CO -0.12 0.83 -0.47 -0.91 -0.73 0.00 0.00 179.01 177.60 2k3y h ASN 104 N 0.86 0.00 -0.19 1.04 2.35 -1.42 -1.49 115.58 116.73 2k3y h ASN 104 Ca 0.20 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 2k3y h ASN 104 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2k3y h ASN 104 CO -0.01 0.47 -0.39 0.40 -1.65 0.00 0.00 177.43 176.25 2k3y h ILE 105 N 0.00 1.29 -0.56 2.81 1.08 -0.83 0.16 117.51 121.46 2k3y h ILE 105 Ca -0.00 -1.57 -0.02 0.00 -0.39 0.00 0.00 64.86 62.88 2k3y h ILE 105 Cb 1.17 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 36.37 2k3y h ILE 105 CO 0.06 0.51 0.28 0.00 -0.69 0.00 0.00 178.15 178.31 2k3y h ALA 106 N 0.96 0.72 -0.16 1.87 0.00 -0.33 0.12 119.26 122.44 2k3y h ALA 106 Ca 0.05 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k3y h ALA 106 Cb 0.93 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2k3y h ALA 106 CO 0.09 0.27 -0.02 1.98 0.00 0.00 0.00 179.25 181.56 2k3y h MET 107 N 0.75 0.02 0.10 0.00 1.85 -1.18 -1.59 114.93 114.88 2k3y h MET 107 Ca 0.19 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.28 2k3y h MET 107 Cb 0.10 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.13 2k3y h MET 107 CO -0.03 0.01 -0.05 -0.22 -0.40 0.00 0.00 176.91 176.23 2k3y h LYS 108 N 0.02 -0.13 0.01 0.39 3.64 0.21 -1.36 116.57 119.36 2k3y h LYS 108 Ca 0.08 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 2k3y h LYS 108 Cb 0.11 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2k3y h LYS 108 CO -0.15 0.00 -0.88 -0.22 -2.27 0.00 0.00 179.45 175.93 2k3y h LYS 109 N -0.23 0.14 -0.57 1.90 3.64 -0.81 0.21 116.57 120.84 2k3y h LYS 109 Ca -0.01 -0.16 0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2k3y h LYS 109 Cb 0.19 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 2k3y h LYS 109 CO 0.02 0.93 0.24 -0.09 -2.27 0.00 0.00 179.45 178.28 2k3y h ARG 110 N 0.07 0.43 0.02 1.90 2.43 -1.12 -0.56 114.38 117.55 2k3y h ARG 110 Ca -0.04 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2k3y h ARG 110 Cb 1.52 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.98 2k3y h ARG 110 CO 0.13 0.28 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.43 2k3y h LEU 111 N 0.44 0.29 -2.00 3.80 3.38 -0.90 -2.10 115.31 118.22 2k3y h LEU 111 Ca 0.28 -0.83 0.19 0.00 0.09 0.00 0.00 57.88 57.61 2k3y h LEU 111 Cb 0.29 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2k3y h LEU 111 CO -0.26 1.09 0.49 0.00 0.09 0.00 0.00 178.44 179.86 2k3y h ALA 112 N 0.21 2.60 -0.00 1.53 0.00 -0.57 0.18 119.26 123.21 2k3y h ALA 112 Ca -0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k3y h ALA 112 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k3y h ALA 112 CO 0.07 -0.84 -0.20 -0.97 0.00 0.00 0.00 179.25 177.32 2k3y h ASN 113 N 0.00 0.17 -0.65 0.00 -1.24 -1.02 -3.25 115.58 109.58 2k3y h ASN 113 Ca 0.32 -0.78 -0.04 0.00 0.71 0.00 0.00 56.30 56.50 2k3y h ASN 113 Cb 1.30 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 40.27 2k3y h ASN 113 CO -0.00 0.93 0.25 -0.33 -1.29 0.00 0.00 177.43 176.99 2k3y h GLU 114 N -0.57 0.99 -2.11 6.67 4.39 -0.52 -3.42 114.58 120.00 2k3y h GLU 114 Ca -0.02 -0.19 -0.20 0.00 0.34 0.00 0.00 59.36 59.28 2k3y h GLU 114 Cb 0.96 -0.16 -0.32 0.00 -0.10 0.00 0.00 28.75 29.14 2k3y h GLU 114 CO 0.04 0.84 -0.53 0.00 -1.16 0.00 0.00 179.01 178.20 2k3y s ALA 115 N -5.51 -0.82 0.00 3.43 0.00 0.50 -4.65 121.76 114.71 2k3y s ALA 115 Ca -0.13 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2k3y s ALA 115 Cb 0.14 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.70 2k3y s ALA 115 CO 0.81 -1.24 0.31 0.41 0.00 0.00 0.00 175.76 176.06 2k3y n GLY 116 N 5.35 -1.48 3.31 0.00 0.00 -1.23 -3.85 105.19 107.29 2k3y n GLY 116 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 2k3y n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y s SER 117 N 0.00 -0.23 -1.14 1.61 0.01 -1.26 -5.02 113.70 107.66 2k3y s SER 117 Ca 0.00 -0.22 -0.13 0.00 1.31 0.00 0.00 55.95 56.91 2k3y s SER 117 Cb 0.00 0.45 -0.07 0.00 0.21 0.00 0.00 66.02 66.61 2k3y s SER 117 CO 0.00 -0.78 2.26 0.41 0.41 0.00 0.00 173.24 175.55 2k3y n THR 118 N 0.06 2.88 0.00 1.44 -1.04 -1.26 -2.09 114.28 114.27 2k3y n THR 118 Ca -0.17 -2.06 0.00 0.00 -2.04 0.00 0.00 64.05 59.78 2k3y n THR 118 Cb 0.62 -2.39 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 2k3y n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3y n GLY 119 N 4.01 0.01 0.15 3.41 0.00 -1.26 -4.96 105.19 106.55 2k3y n GLY 119 Ca 0.55 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.59 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 1.18 -4.75 1.61 3.41 -0.89 -5.03 113.62 109.16 2k3y n SER 120 Ca 0.00 -1.09 -0.35 0.00 -0.26 0.00 0.00 58.87 57.17 2k3y n SER 120 Cb 0.00 0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.56 2.43 0.95 7.33 0.00 -1.16 -4.19 121.76 126.56 2k3y s ALA 121 Ca 0.05 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 2k3y s ALA 121 Cb 0.04 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 19.88 2k3y s ALA 121 CO 0.08 -1.35 1.10 -1.25 0.00 0.00 0.00 175.76 174.34 2k3y s PRO 122 N -3.57 0.80 0.63 0.00 0.04 -1.26 -4.89 135.00 126.75 2k3y s PRO 122 Ca 0.75 1.20 0.40 0.00 0.04 0.00 0.00 61.00 63.39 2k3y s PRO 122 Cb -0.29 -1.73 2.13 0.00 0.04 0.00 0.00 34.50 34.66 2k3y s PRO 122 CO 0.37 -2.67 2.29 0.00 0.04 0.00 0.00 177.00 177.03 2k3y h ALA 123 N -1.88 1.11 0.00 8.56 0.00 -2.02 -0.71 119.26 124.33 2k3y h ALA 123 Ca -0.49 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2k3y h ALA 123 Cb 1.28 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2k3y h ALA 123 CO 0.47 0.01 -0.17 1.79 0.00 0.00 0.00 179.25 181.36 2k3y h THR 124 N 0.00 0.78 0.00 0.00 1.35 -2.04 -3.47 112.91 109.53 2k3y h THR 124 Ca -0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2k3y h THR 124 Cb 0.09 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2k3y h THR 124 CO 0.00 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 2k3y n GLY 125 N -0.71 3.95 3.46 5.82 0.00 -0.27 -4.96 105.19 112.48 2k3y n GLY 125 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.06 0.00 -0.02 0.00 -1.25 -4.57 105.19 99.41 2k3y n GLY 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k3y n GLY 126 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k3y n VAL 127 N -2.04 0.00 0.00 1.61 0.31 -1.26 -4.57 118.33 112.38 2k3y n VAL 127 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k3y n VAL 127 Cb 0.21 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 2k3y n VAL 127 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2k3y n LYS 129 N 0.00 0.00 0.01 5.55 3.00 -1.26 -5.20 118.16 120.26 2k3y n LYS 129 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 2k3y n LYS 129 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 2k3y n LYS 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2k3y n PRO 130 N 0.00 0.63 0.02 1.64 -0.04 -1.26 -4.40 135.00 131.58 2k3y n PRO 130 Ca 0.00 0.24 -0.03 0.00 -0.04 0.00 0.00 63.50 63.68 2k3y n PRO 130 Cb 0.00 -1.80 0.22 0.00 -0.04 0.00 0.00 33.50 31.89 2k3y n PRO 130 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2k3y h HIS 131 N 0.00 0.52 -3.94 0.54 2.07 -2.08 -3.45 115.15 108.82 2k3y h HIS 131 Ca -0.21 -0.10 -0.54 0.00 -2.85 0.00 0.00 60.37 56.67 2k3y h HIS 131 Cb 1.74 -0.13 0.10 0.00 2.57 0.00 0.00 27.41 31.69 2k3y h HIS 131 CO 0.00 0.66 0.75 1.03 -3.07 0.00 0.00 177.93 177.30 2k3y s ARG 132 N -4.57 4.11 0.00 5.12 0.52 -1.26 -4.90 118.95 117.97 2k3y s ARG 132 Ca -0.07 2.51 0.00 0.00 -0.52 0.00 0.00 55.73 57.65 2k3y s ARG 132 Cb 0.14 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.65 2k3y s ARG 132 CO 0.78 -0.50 0.49 0.98 0.02 0.00 0.00 175.30 177.07 2k3y n TYR 133 N 0.46 0.00 -1.62 -0.53 9.36 -1.26 -5.18 117.16 118.38 2k3y n TYR 133 Ca 0.01 -0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.11 2k3y n TYR 133 Cb 0.40 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 2k3y n TYR 133 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95