#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 0.26 0.24 2.03 -7.23 -1.26 -5.06 120.40 109.38 2k3y s VAL 2 Ca 0.00 -1.90 0.24 0.00 -1.81 0.00 0.00 61.98 58.51 2k3y s VAL 2 Cb 0.00 -1.91 0.23 0.00 0.56 0.00 0.00 36.38 35.26 2k3y s VAL 2 CO 0.00 -0.62 1.89 -2.24 -0.31 0.00 0.00 175.10 173.82 2k3y h ASP 3 N 2.91 0.00 -0.27 4.85 2.03 -2.04 -3.09 116.42 120.82 2k3y h ASP 3 Ca -0.35 0.00 0.08 0.00 -0.73 0.00 0.00 57.03 56.03 2k3y h ASP 3 Cb 1.18 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.67 2k3y h ASP 3 CO 0.62 0.22 0.21 0.25 -1.03 0.00 0.00 179.24 179.51 2k3y h LEU 4 N 0.00 0.00 -2.13 0.15 5.85 -1.97 -2.34 115.31 114.87 2k3y h LEU 4 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k3y h LEU 4 Cb 0.63 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2k3y h LEU 4 CO 0.03 0.00 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.76 2k3y h GLU 5 N 0.00 0.00 0.00 1.25 5.08 -1.84 -2.03 114.58 117.04 2k3y h GLU 5 Ca 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2k3y h GLU 5 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2k3y h GLU 5 CO -0.00 0.04 -0.20 0.37 -1.00 0.00 0.00 179.01 178.21 2k3y h GLN 6 N 0.00 0.00 -6.81 2.33 4.15 -1.64 -3.35 115.11 109.79 2k3y h GLN 6 Ca -0.00 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.94 2k3y h GLN 6 Cb 0.08 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 2k3y h GLN 6 CO 0.01 0.20 0.28 -1.21 -1.93 0.00 0.00 178.83 176.18 2k3y s GLU 7 N -4.27 4.47 0.25 1.69 2.02 -0.77 -4.31 118.70 117.78 2k3y s GLU 7 Ca -0.03 1.19 -0.31 0.00 0.02 0.00 0.00 54.97 55.84 2k3y s GLU 7 Cb 0.14 -2.77 -0.13 0.00 0.10 0.00 0.00 34.13 31.47 2k3y s GLU 7 CO 0.65 0.29 1.51 1.97 0.02 0.00 0.00 175.26 179.70 2k3y n PHE 8 N 0.50 2.47 -4.51 1.61 1.16 -1.26 -4.75 117.46 112.68 2k3y n PHE 8 Ca 0.01 0.33 -0.29 0.00 -1.87 0.00 0.00 57.45 55.63 2k3y n PHE 8 Cb 0.51 -2.53 -0.17 0.00 -1.61 0.00 0.00 39.48 35.68 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 0.13 1.74 -0.80 1.98 0.00 -1.26 -5.02 121.76 118.52 2k3y s ALA 9 Ca 0.68 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.89 2k3y s ALA 9 Cb -0.59 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 21.74 2k3y s ALA 9 CO 0.47 -0.05 0.94 -0.11 0.00 0.00 0.00 175.76 177.01 2k3y n LEU 10 N 4.15 0.02 -1.16 0.00 0.00 -1.26 -0.97 117.00 117.77 2k3y n LEU 10 Ca -0.19 0.42 -0.01 0.00 0.00 0.00 0.00 56.01 56.23 2k3y n LEU 10 Cb 0.51 -0.43 -0.02 0.00 0.00 0.00 0.00 43.42 43.49 2k3y n LEU 10 CO 0.24 -0.43 0.20 0.61 0.00 0.00 0.00 177.39 178.02 2k3y n GLY 11 N -1.41 0.76 2.08 -3.96 0.00 -1.26 -4.14 105.19 97.26 2k3y n GLY 11 Ca -0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 0.23 -0.84 3.90 -0.02 0.00 -0.14 -4.98 105.19 103.35 2k3y n GLY 12 Ca -0.09 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 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 -4.39 3.61 0.08 1.61 0.52 -1.26 -4.04 118.95 115.09 2k3y s ARG 13 Ca 0.39 0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.77 2k3y s ARG 13 Cb -0.01 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.93 2k3y s ARG 13 CO 0.27 0.00 -0.10 0.14 0.02 0.00 0.00 175.30 175.63 2k3y s VAL 14 N -2.41 0.91 -0.02 3.52 -7.23 -0.66 -0.96 120.40 113.54 2k3y s VAL 14 Ca 0.46 -1.49 0.07 0.00 -1.81 0.00 0.00 61.98 59.21 2k3y s VAL 14 Cb -0.10 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 2k3y s VAL 14 CO 0.36 -0.47 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.69 2k3y s LEU 15 N -2.18 2.04 -0.09 1.32 1.43 0.06 -0.58 118.68 120.68 2k3y s LEU 15 Ca 0.02 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2k3y s LEU 15 Cb -0.05 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 44.98 2k3y s LEU 15 CO 0.00 0.28 -0.07 0.00 0.23 0.00 0.00 176.35 176.79 2k3y s ALA 16 N -0.49 1.16 -0.29 4.21 0.00 -0.55 -1.17 121.76 124.63 2k3y s ALA 16 Ca 0.07 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 2k3y s ALA 16 Cb -0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 2k3y s ALA 16 CO -0.00 -0.27 0.18 0.12 0.00 0.00 0.00 175.76 175.79 2k3y s PHE 17 N 1.43 3.20 -0.13 0.00 5.36 -0.43 -1.14 117.98 126.28 2k3y s PHE 17 Ca -0.01 -0.13 0.18 0.00 -0.96 0.00 0.00 56.93 56.02 2k3y s PHE 17 Cb -0.13 -2.38 -0.21 0.00 -0.34 0.00 0.00 43.02 39.96 2k3y s PHE 17 CO -0.04 -0.27 0.54 0.72 -1.46 0.00 0.00 175.22 174.70 2k3y n HIS 18 N 5.04 0.49 0.00 10.12 8.25 -0.15 -4.73 115.22 134.24 2k3y n HIS 18 Ca -0.14 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2k3y n HIS 18 Cb 0.51 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 1.46 0.11 0.14 -1.41 0.00 -1.26 -4.91 105.19 99.33 2k3y n GLY 19 Ca -0.15 0.12 -0.02 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 0.04 -3.52 1.61 0.13 -1.96 -3.48 132.00 124.82 2k3y h PRO 20 Ca 0.00 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.98 2k3y h PRO 20 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2k3y h PRO 20 CO 0.00 0.65 0.04 -1.17 -0.23 0.00 0.00 178.00 177.29 2k3y s LEU 21 N -7.66 0.43 0.02 1.56 0.20 -1.26 -4.91 118.68 107.06 2k3y s LEU 21 Ca -0.02 -1.22 -0.06 0.00 0.69 0.00 0.00 54.13 53.52 2k3y s LEU 21 Cb 0.12 2.17 -0.00 0.00 -0.43 0.00 0.00 46.19 48.05 2k3y s LEU 21 CO 0.77 -1.45 0.11 -0.32 -0.29 0.00 0.00 176.35 175.17 2k3y s MET 22 N -2.90 0.52 0.17 1.98 -2.45 -1.26 -0.98 119.30 114.37 2k3y s MET 22 Ca 0.22 -0.56 -0.01 0.00 -1.25 0.00 0.00 55.69 54.10 2k3y s MET 22 Cb -0.03 0.21 -0.04 0.00 1.25 0.00 0.00 34.83 36.22 2k3y s MET 22 CO 0.14 -0.13 0.08 0.71 1.05 0.00 0.00 175.02 176.88 2k3y s TYR 23 N -1.88 1.05 0.27 4.11 2.02 -0.29 -4.96 117.35 117.67 2k3y s TYR 23 Ca -0.11 -1.27 -0.22 0.00 -0.37 0.00 0.00 57.07 55.10 2k3y s TYR 23 Cb -0.05 -0.56 -0.09 0.00 -0.40 0.00 0.00 41.96 40.86 2k3y s TYR 23 CO -0.01 -0.53 0.82 -1.21 -1.57 0.00 0.00 175.55 173.05 2k3y s GLU 24 N -4.08 4.37 0.09 -0.62 8.01 -1.26 -1.48 118.70 123.72 2k3y s GLU 24 Ca 0.31 1.04 -0.04 0.00 0.01 0.00 0.00 54.97 56.30 2k3y s GLU 24 Cb 0.07 -2.80 -0.03 0.00 -4.31 0.00 0.00 34.13 27.06 2k3y s GLU 24 CO 0.07 0.33 0.07 0.00 0.01 0.00 0.00 175.26 175.73 2k3y s ALA 25 N -1.60 0.37 -0.24 5.21 0.00 0.25 -1.11 121.76 124.64 2k3y s ALA 25 Ca 0.47 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 2k3y s ALA 25 Cb -0.17 0.51 0.12 0.00 0.00 0.00 0.00 23.12 23.59 2k3y s ALA 25 CO 0.22 -0.46 0.33 0.21 0.00 0.00 0.00 175.76 176.06 2k3y s LYS 26 N -3.94 0.30 0.64 0.00 2.20 -0.57 -1.66 119.74 116.72 2k3y s LYS 26 Ca 0.11 0.34 -0.17 0.00 -0.36 0.00 0.00 55.97 55.89 2k3y s LYS 26 Cb 0.07 -0.70 -0.04 0.00 -1.51 0.00 0.00 37.83 35.64 2k3y s LYS 26 CO -0.07 -0.72 0.83 -0.89 -0.36 0.00 0.00 175.35 174.14 2k3y n ILE 27 N 5.34 3.09 0.00 5.43 5.41 -1.26 -1.35 119.36 136.03 2k3y n ILE 27 Ca -0.04 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2k3y n ILE 27 Cb 0.49 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 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 -0.69 0.00 -4.00 1.39 -0.00 -0.73 -4.52 117.00 108.46 2k3y n LEU 28 Ca 0.13 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.94 2k3y n LEU 28 Cb 0.48 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.75 2k3y n LEU 28 CO 0.49 0.00 -0.43 -0.75 -0.00 0.00 0.00 177.39 176.70 2k3y s LYS 29 N -1.00 0.89 0.06 1.47 2.20 -1.23 -1.89 119.74 120.24 2k3y s LYS 29 Ca 0.00 -0.30 -0.00 0.00 -0.36 0.00 0.00 55.97 55.31 2k3y s LYS 29 Cb 0.00 -0.84 -0.04 0.00 -1.51 0.00 0.00 37.83 35.44 2k3y s LYS 29 CO 0.00 0.12 -0.04 0.96 -0.36 0.00 0.00 175.35 176.03 2k3y s ILE 30 N 0.13 0.35 0.03 5.43 -4.36 0.27 -0.48 121.20 122.56 2k3y s ILE 30 Ca -0.02 -1.83 -0.06 0.00 -0.26 0.00 0.00 60.65 58.48 2k3y s ILE 30 Cb -0.08 -1.55 -0.01 0.00 1.25 0.00 0.00 42.46 42.08 2k3y s ILE 30 CO 0.00 -0.96 0.10 0.86 0.24 0.00 0.00 174.94 175.18 2k3y s TRP 31 N -3.81 0.16 -0.11 1.37 -0.11 0.09 -1.35 118.94 115.17 2k3y s TRP 31 Ca 0.08 -0.39 -0.15 0.00 1.22 0.00 0.00 56.10 56.86 2k3y s TRP 31 Cb 0.07 -0.12 0.04 0.00 -1.50 0.00 0.00 33.47 31.96 2k3y s TRP 31 CO -0.08 -0.32 0.38 0.34 -4.62 0.00 0.00 176.95 172.64 2k3y s ASP 32 N -1.83 -0.36 0.07 5.86 -1.08 -1.26 -1.57 116.67 116.49 2k3y s ASP 32 Ca -0.09 0.61 0.14 0.00 -0.52 0.00 0.00 52.55 52.69 2k3y s ASP 32 Cb -0.04 0.67 0.61 0.00 -1.46 0.00 0.00 42.92 42.70 2k3y s ASP 32 CO -0.02 -0.23 1.44 -0.81 0.52 0.00 0.00 175.17 176.07 2k3y n PRO 33 N 2.40 0.04 0.09 4.34 -0.04 -1.25 -2.65 135.00 137.94 2k3y n PRO 33 Ca -0.15 0.35 0.02 0.00 -0.04 0.00 0.00 63.50 63.67 2k3y n PRO 33 Cb 0.57 -1.59 0.38 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.29 0.00 3.54 0.02 -1.94 -3.14 113.55 112.33 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 0.22 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2k3y h SER 34 CO 0.00 0.40 0.00 -1.20 -1.14 0.00 0.00 176.83 174.89 2k3y n SER 35 N -4.30 0.38 -4.24 3.07 7.64 -1.25 -5.03 113.62 109.89 2k3y n SER 35 Ca -0.00 -0.70 -0.31 0.00 1.01 0.00 0.00 58.87 58.87 2k3y n SER 35 Cb 0.24 0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.33 -1.28 -3.85 1.43 5.02 -1.09 -4.98 118.16 113.09 2k3y n LYS 36 Ca 0.00 0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.34 2k3y n LYS 36 Cb 0.04 -3.68 -0.06 0.00 -0.02 0.00 0.00 35.03 31.31 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 -7.25 1.13 0.51 1.97 -1.94 -1.26 -4.78 119.30 107.69 2k3y s MET 37 Ca 0.03 -1.00 0.08 0.00 -1.71 0.00 0.00 55.69 53.09 2k3y s MET 37 Cb -0.02 0.41 0.04 0.00 2.01 0.00 0.00 34.83 37.28 2k3y s MET 37 CO 0.98 -0.43 0.58 1.52 -0.01 0.00 0.00 175.02 177.66 2k3y s TYR 38 N -3.90 1.91 0.03 -0.03 -0.85 -1.26 -4.07 117.35 109.18 2k3y s TYR 38 Ca 0.11 -0.66 -0.05 0.00 -0.52 0.00 0.00 57.07 55.95 2k3y s TYR 38 Cb 0.02 -2.15 -0.01 0.00 0.38 0.00 0.00 41.96 40.20 2k3y s TYR 38 CO -0.04 -0.68 0.08 0.95 -1.52 0.00 0.00 175.55 174.34 2k3y s THR 39 N -2.61 0.13 0.17 -3.49 -4.23 -0.46 -3.95 115.64 101.19 2k3y s THR 39 Ca 0.51 -1.03 -0.15 0.00 -1.18 0.00 0.00 61.69 59.84 2k3y s THR 39 Cb -0.05 -0.75 0.02 0.00 1.34 0.00 0.00 72.50 73.06 2k3y s THR 39 CO 0.31 -0.57 0.43 -0.44 -0.54 0.00 0.00 174.62 173.82 2k3y s SER 40 N -1.94 -0.18 0.15 3.99 0.01 -1.25 -0.57 113.70 113.91 2k3y s SER 40 Ca -0.08 -0.53 -0.08 0.00 1.31 0.00 0.00 55.95 56.58 2k3y s SER 40 Cb -0.03 0.52 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 2k3y s SER 40 CO -0.03 -0.96 0.25 0.27 0.41 0.00 0.00 173.24 173.18 2k3y s ILE 41 N -3.88 0.08 0.00 1.44 -4.36 -0.79 -1.24 121.20 112.45 2k3y s ILE 41 Ca 0.09 -1.43 -0.03 0.00 -0.26 0.00 0.00 60.65 59.02 2k3y s ILE 41 Cb 0.01 -1.81 -0.15 0.00 1.25 0.00 0.00 42.46 41.75 2k3y s ILE 41 CO -0.05 -0.35 2.81 -0.81 0.24 0.00 0.00 174.94 176.78 2k3y n PRO 42 N -0.19 1.50 0.00 0.37 -0.04 -1.01 -4.54 135.00 131.09 2k3y n PRO 42 Ca -0.08 -0.57 0.14 0.00 -0.04 0.00 0.00 63.50 62.94 2k3y n PRO 42 Cb 0.63 -1.61 0.55 0.00 -0.04 0.00 0.00 33.50 33.03 2k3y n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k3y n ASN 43 N 2.16 0.11 -0.92 3.54 5.15 -1.26 -4.85 115.26 119.18 2k3y n ASN 43 Ca 0.25 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 2k3y n ASN 43 Cb 0.70 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 2k3y n ASN 43 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k3y n ASP 44 N -1.51 0.00 -3.48 1.20 2.03 -1.26 -5.01 116.55 108.52 2k3y n ASP 44 Ca 0.07 -0.92 -0.29 0.00 0.52 0.00 0.00 54.79 54.17 2k3y n ASP 44 Cb 0.34 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.61 2k3y n ASP 44 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2k3y s LYS 45 N -1.75 0.45 1.05 -0.67 2.20 -1.26 -2.21 119.74 117.55 2k3y s LYS 45 Ca 0.00 -1.09 -0.16 0.00 -0.36 0.00 0.00 55.97 54.37 2k3y s LYS 45 Cb 0.00 -1.24 0.10 0.00 -1.51 0.00 0.00 37.83 35.18 2k3y s LYS 45 CO 0.00 -1.16 0.29 -2.30 -0.36 0.00 0.00 175.35 171.82 2k3y n PRO 46 N 4.39 -1.14 0.00 4.03 -0.02 -1.26 -4.85 135.00 136.14 2k3y n PRO 46 Ca 0.07 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2k3y n PRO 46 Cb 0.39 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2k3y n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k3y n GLY 47 N 1.67 0.93 1.27 -1.23 0.00 -1.26 -2.57 105.19 104.00 2k3y n GLY 47 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 0.18 0.74 2.97 -0.02 0.00 -1.26 -5.03 105.19 102.77 2k3y n GLY 48 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.17 0.24 0.11 1.61 0.01 -1.06 -5.04 113.70 108.40 2k3y s SER 49 Ca 0.05 -0.42 -0.14 0.00 1.31 0.00 0.00 55.95 56.75 2k3y s SER 49 Cb 0.10 0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.35 2k3y s SER 49 CO -0.03 -0.24 1.48 0.77 0.41 0.00 0.00 173.24 175.63 2k3y h SER 50 N 4.90 0.75 -4.24 2.44 4.64 -1.97 -3.44 113.55 116.63 2k3y h SER 50 Ca -0.31 -0.41 0.26 0.00 -0.47 0.00 0.00 61.79 60.86 2k3y h SER 50 Cb 1.21 -0.21 -0.19 0.00 -0.31 0.00 0.00 62.40 62.90 2k3y h SER 50 CO 0.43 0.99 0.82 0.00 -0.87 0.00 0.00 176.83 178.19 2k3y s GLN 51 N -4.61 0.30 0.44 4.77 -2.07 -1.26 -4.97 119.66 112.25 2k3y s GLN 51 Ca -0.12 -0.11 -0.23 0.00 -1.82 0.00 0.00 55.36 53.08 2k3y s GLN 51 Cb 0.09 0.14 -0.08 0.00 -1.09 0.00 0.00 33.01 32.07 2k3y s GLN 51 CO 0.82 -0.13 1.09 0.00 -1.32 0.00 0.00 175.29 175.75 2k3y s ALA 52 N -2.40 2.99 0.46 2.60 0.00 -0.94 -4.98 121.76 119.49 2k3y s ALA 52 Ca 0.09 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.87 2k3y s ALA 52 Cb -0.01 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.81 2k3y s ALA 52 CO -0.05 -0.41 0.64 0.95 0.00 0.00 0.00 175.76 176.90 2k3y s THR 53 N -1.67 3.14 0.63 0.00 -4.23 -1.26 -4.24 115.64 108.00 2k3y s THR 53 Ca 0.62 -0.82 -0.18 0.00 -1.18 0.00 0.00 61.69 60.13 2k3y s THR 53 Cb -0.23 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 2k3y s THR 53 CO 0.29 -0.06 0.87 0.29 -0.54 0.00 0.00 174.62 175.46 2k3y n LYS 54 N -2.02 0.72 -0.23 3.99 5.02 -1.26 -2.40 118.16 121.98 2k3y n LYS 54 Ca 0.06 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 2k3y n LYS 54 Cb 0.59 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 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 -1.00 0.00 -2.43 1.97 0.28 -1.26 -4.77 120.64 113.43 2k3y n GLU 55 Ca 0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.72 2k3y n GLU 55 Cb 0.48 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.31 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 0.00 3.63 0.37 3.84 1.01 -0.37 -4.98 121.20 124.70 2k3y s ILE 56 Ca 0.00 1.43 -0.24 0.00 0.00 0.00 0.00 60.65 61.84 2k3y s ILE 56 Cb 0.00 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 2k3y s ILE 56 CO 0.00 0.26 0.98 -0.54 0.00 0.00 0.00 174.94 175.63 2k3y s LYS 57 N -0.52 4.38 0.21 2.79 3.01 -1.26 -3.97 119.74 124.39 2k3y s LYS 57 Ca 0.50 1.34 -0.32 0.00 -1.01 0.00 0.00 55.97 56.48 2k3y s LYS 57 Cb -0.32 -2.58 -0.14 0.00 -1.01 0.00 0.00 37.83 33.78 2k3y s LYS 57 CO 0.37 0.08 1.34 -2.30 0.51 0.00 0.00 175.35 175.36 2k3y n PRO 58 N 0.10 1.76 -3.89 -1.68 -0.02 -1.25 -4.91 135.00 125.10 2k3y n PRO 58 Ca 0.04 0.63 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 2k3y n PRO 58 Cb 0.51 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 2k3y n PRO 58 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2k3y s GLN 59 N -0.32 0.60 0.26 -0.52 2.00 -1.26 -5.02 119.66 115.40 2k3y s GLN 59 Ca 0.70 -0.64 -0.30 0.00 -2.00 0.00 0.00 55.36 53.13 2k3y s GLN 59 Cb -0.72 0.24 -0.10 0.00 0.80 0.00 0.00 33.01 33.23 2k3y s GLN 59 CO 0.50 -0.16 1.41 0.15 -0.50 0.00 0.00 175.29 176.69 2k3y s LYS 60 N -2.32 4.28 0.54 1.67 -0.14 -1.26 -4.22 119.74 118.29 2k3y s LYS 60 Ca -0.07 2.28 -0.17 0.00 -1.36 0.00 0.00 55.97 56.65 2k3y s LYS 60 Cb -0.03 -3.11 -0.07 0.00 -1.68 0.00 0.00 37.83 32.95 2k3y s LYS 60 CO -0.03 -0.38 1.02 -1.17 -0.76 0.00 0.00 175.35 174.03 2k3y s LEU 61 N -0.60 3.62 0.00 3.17 0.20 -1.26 -4.61 118.68 119.20 2k3y s LEU 61 Ca 0.57 1.71 0.00 0.00 0.69 0.00 0.00 54.13 57.11 2k3y s LEU 61 Cb -0.41 -4.53 0.00 0.00 -0.43 0.00 0.00 46.19 40.82 2k3y s LEU 61 CO 0.45 -0.81 0.00 0.61 -0.29 0.00 0.00 176.35 176.30 2k3y n GLY 62 N -1.13 1.78 0.15 7.98 0.00 -1.26 -5.02 105.19 107.69 2k3y n GLY 62 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 0.34 0.00 1.61 4.39 -2.01 -3.41 114.58 115.50 2k3y h GLU 63 Ca 0.00 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2k3y h GLU 63 Cb 0.00 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2k3y h GLU 63 CO 0.00 1.05 0.00 -3.47 -1.16 0.00 0.00 179.01 175.43 2k3y n ASP 64 N -3.72 0.00 -4.72 1.42 2.03 -1.26 -5.14 116.55 105.16 2k3y n ASP 64 Ca -0.06 -1.00 -0.25 0.00 0.52 0.00 0.00 54.79 54.01 2k3y n ASP 64 Cb 0.82 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.15 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 2.21 -0.13 -0.67 8.01 -1.26 -5.13 118.70 121.73 2k3y s GLU 65 Ca 0.00 -1.80 -0.11 0.00 0.01 0.00 0.00 54.97 53.07 2k3y s GLU 65 Cb 0.00 -1.99 0.04 0.00 -4.31 0.00 0.00 34.13 27.87 2k3y s GLU 65 CO 0.00 -0.04 0.34 -1.12 0.01 0.00 0.00 175.26 174.45 2k3y s SER 66 N -3.86 -0.36 -0.04 -0.19 0.01 -1.26 -4.33 113.70 103.67 2k3y s SER 66 Ca 0.39 0.70 0.01 0.00 1.31 0.00 0.00 55.95 58.36 2k3y s SER 66 Cb 0.03 0.69 0.02 0.00 0.21 0.00 0.00 66.02 66.97 2k3y s SER 66 CO 0.22 -0.13 -0.03 0.27 0.41 0.00 0.00 173.24 173.98 2k3y s ILE 67 N 0.30 0.46 0.85 1.44 -4.36 -1.26 -4.82 121.20 113.81 2k3y s ILE 67 Ca -0.01 -0.06 -0.11 0.00 -0.26 0.00 0.00 60.65 60.21 2k3y s ILE 67 Cb -0.03 -0.50 0.10 0.00 1.25 0.00 0.00 42.46 43.27 2k3y s ILE 67 CO -0.01 0.21 1.09 -2.16 0.24 0.00 0.00 174.94 174.32 2k3y s PRO 68 N 1.01 1.66 0.38 0.37 0.04 -1.26 -4.79 135.00 132.41 2k3y s PRO 68 Ca -0.10 1.04 0.23 0.00 0.04 0.00 0.00 61.00 62.21 2k3y s PRO 68 Cb -0.14 -1.84 1.25 0.00 0.04 0.00 0.00 34.50 33.81 2k3y s PRO 68 CO -0.01 -2.03 1.68 0.93 0.04 0.00 0.00 177.00 177.62 2k3y h GLU 69 N -1.40 0.00 -0.08 4.56 5.08 -2.01 -0.81 114.58 119.92 2k3y h GLU 69 Ca -0.46 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 2k3y h GLU 69 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2k3y h GLU 69 CO 0.52 0.00 -0.24 0.93 -1.00 0.00 0.00 179.01 179.22 2k3y h GLU 70 N 0.00 0.13 0.00 2.33 4.39 -2.00 -3.20 114.58 116.24 2k3y h GLU 70 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k3y h GLU 70 Cb 0.17 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2k3y h GLU 70 CO 0.00 0.37 0.00 0.44 -1.16 0.00 0.00 179.01 178.66 2k3y n ILE 71 N -4.21 0.00 0.01 3.13 -5.35 -0.36 -4.44 119.36 108.14 2k3y n ILE 71 Ca -0.01 -0.47 -0.11 0.00 -0.27 0.00 0.00 62.75 61.88 2k3y n ILE 71 Cb 0.32 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.17 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 0.01 1.03 0.00 7.28 1.08 -1.52 -3.10 117.51 122.29 2k3y h ILE 72 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2k3y h ILE 72 Cb 0.00 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 2k3y h ILE 72 CO 0.00 0.03 0.00 0.59 -0.69 0.00 0.00 178.15 178.08 2k3y n ASN 73 N -5.03 0.02 -3.18 1.72 3.02 -1.21 -3.77 115.26 106.84 2k3y n ASN 73 Ca -0.06 -1.94 -0.13 0.00 -0.03 0.00 0.00 54.58 52.42 2k3y n ASN 73 Cb 0.04 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 2k3y n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k3y s GLY 74 N -1.00 1.16 0.22 7.41 0.00 -1.17 -4.80 107.32 109.13 2k3y s GLY 74 Ca 0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 44.72 43.12 2k3y s GLY 74 CO 0.00 -0.80 1.51 0.54 0.00 0.00 0.00 173.10 174.35 2k3y s LYS 75 N -2.87 4.23 0.05 2.90 -0.14 -1.26 -4.18 119.74 118.46 2k3y s LYS 75 Ca 0.26 2.36 0.01 0.00 -1.36 0.00 0.00 55.97 57.23 2k3y s LYS 75 Cb -0.02 -3.12 -0.03 0.00 -1.68 0.00 0.00 37.83 32.98 2k3y s LYS 75 CO 0.18 -0.52 -0.05 -1.12 -0.76 0.00 0.00 175.35 173.08 2k3y s SER 76 N 0.70 0.62 -0.12 2.83 0.01 -0.61 -3.10 113.70 114.03 2k3y s SER 76 Ca 0.64 -0.74 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 2k3y s SER 76 Cb -0.43 0.11 0.06 0.00 0.21 0.00 0.00 66.02 65.96 2k3y s SER 76 CO 0.39 -0.39 0.13 -0.36 0.41 0.00 0.00 173.24 173.42 2k3y s PHE 77 N -2.50 -0.05 -0.05 2.43 0.08 -0.99 -0.73 117.98 116.17 2k3y s PHE 77 Ca -0.03 0.22 -0.29 0.00 0.12 0.00 0.00 56.93 56.94 2k3y s PHE 77 Cb -0.02 -0.44 -0.02 0.00 -0.57 0.00 0.00 43.02 41.96 2k3y s PHE 77 CO -0.04 -0.38 0.96 0.12 -0.10 0.00 0.00 175.22 175.78 2k3y s PHE 78 N 2.23 3.60 0.05 0.36 5.36 0.37 -1.68 117.98 128.27 2k3y s PHE 78 Ca 0.04 1.60 0.01 0.00 -0.96 0.00 0.00 56.93 57.62 2k3y s PHE 78 Cb -0.14 -3.11 -0.03 0.00 -0.34 0.00 0.00 43.02 39.40 2k3y s PHE 78 CO -0.07 -0.08 -0.05 0.96 -1.46 0.00 0.00 175.22 174.52 2k3y s ILE 79 N 1.35 0.36 -0.30 3.12 -4.36 -0.85 -1.77 121.20 118.76 2k3y s ILE 79 Ca 0.49 -1.47 -0.11 0.00 -0.26 0.00 0.00 60.65 59.30 2k3y s ILE 79 Cb -0.20 -1.06 -0.04 0.00 1.25 0.00 0.00 42.46 42.42 2k3y s ILE 79 CO 0.23 -0.72 0.20 -2.28 0.24 0.00 0.00 174.94 172.61 2k3y s HIS 80 N -2.73 3.22 -0.06 1.37 5.65 -0.45 -3.56 115.29 118.72 2k3y s HIS 80 Ca -0.01 -0.05 -0.30 0.00 0.25 0.00 0.00 55.06 54.96 2k3y s HIS 80 Cb -0.01 -2.41 -0.04 0.00 -1.18 0.00 0.00 32.58 28.94 2k3y s HIS 80 CO -0.04 -0.25 1.45 0.71 -0.65 0.00 0.00 174.74 175.96 2k3y s TYR 81 N 1.73 2.54 0.25 3.88 2.02 -1.26 -1.51 117.35 124.99 2k3y s TYR 81 Ca 0.07 0.64 -0.10 0.00 -0.37 0.00 0.00 57.07 57.31 2k3y s TYR 81 Cb -0.16 -3.71 -0.07 0.00 -0.40 0.00 0.00 41.96 37.61 2k3y s TYR 81 CO 0.10 -2.75 0.57 -0.65 -1.57 0.00 0.00 175.55 171.26 2k3y s GLN 82 N 3.29 3.82 -0.04 -0.62 -0.21 -0.27 -3.24 119.66 122.39 2k3y s GLN 82 Ca 0.65 0.31 0.00 0.00 0.02 0.00 0.00 55.36 56.34 2k3y s GLN 82 Cb -0.29 -2.62 0.00 0.00 1.00 0.00 0.00 33.01 31.10 2k3y s GLN 82 CO 0.24 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 174.11 2k3y n GLY 83 N -0.22 0.20 3.30 3.09 0.00 -1.26 -4.48 105.19 105.82 2k3y n GLY 83 Ca 0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.35 1.50 0.82 1.61 0.23 -1.20 -5.16 118.94 115.39 2k3y s TRP 84 Ca 0.00 -1.31 -0.11 0.00 -2.03 0.00 0.00 56.10 52.65 2k3y s TRP 84 Cb 0.00 -0.82 0.08 0.00 0.03 0.00 0.00 33.47 32.76 2k3y s TRP 84 CO 0.00 -0.48 1.09 0.15 0.96 0.00 0.00 176.95 178.67 2k3y s LYS 85 N -3.95 1.87 0.10 4.98 1.02 -1.26 -4.87 119.74 117.62 2k3y s LYS 85 Ca 0.37 0.89 0.26 0.00 0.02 0.00 0.00 55.97 57.51 2k3y s LYS 85 Cb 0.06 -1.87 0.99 0.00 -0.52 0.00 0.00 37.83 36.49 2k3y s LYS 85 CO 0.15 -1.83 1.80 0.43 -0.92 0.00 0.00 175.35 174.97 2k3y n SER 86 N -3.62 0.35 -0.01 2.83 7.64 -1.26 -3.19 113.62 116.36 2k3y n SER 86 Ca 0.08 0.54 0.17 0.00 1.01 0.00 0.00 58.87 60.67 2k3y n SER 86 Cb 0.55 -0.63 0.63 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.11 -0.00 6.43 0.02 -1.96 -2.03 113.55 116.12 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 0.53 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2k3y h SER 87 CO 0.00 0.06 0.00 0.79 -1.14 0.00 0.00 176.83 176.54 2k3y n TRP 88 N -4.42 0.00 -1.85 3.45 7.02 -1.19 -4.87 117.44 115.58 2k3y n TRP 88 Ca 0.09 -0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.14 2k3y n TRP 88 Cb 0.51 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.37 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 -2.00 5.96 0.25 -0.99 1.01 -0.76 -4.76 116.67 115.39 2k3y s ASP 89 Ca 0.45 1.80 -0.19 0.00 0.71 0.00 0.00 52.55 55.32 2k3y s ASP 89 Cb 0.22 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.64 2k3y s ASP 89 CO 0.36 -1.57 0.63 -0.70 0.21 0.00 0.00 175.17 174.10 2k3y s GLU 90 N 5.44 1.65 0.11 8.23 2.56 -1.23 -5.00 118.70 130.46 2k3y s GLU 90 Ca 0.86 -1.00 0.02 0.00 0.00 0.00 0.00 54.97 54.85 2k3y s GLU 90 Cb -0.30 0.57 -0.04 0.00 2.00 0.00 0.00 34.13 36.36 2k3y s GLU 90 CO 0.34 -0.74 0.22 -1.58 -0.56 0.00 0.00 175.26 172.95 2k3y s TRP 91 N -3.93 3.45 0.10 5.30 0.52 -1.26 -2.01 118.94 121.12 2k3y s TRP 91 Ca 0.13 0.16 0.07 0.00 0.02 0.00 0.00 56.10 56.47 2k3y s TRP 91 Cb -0.04 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 2k3y s TRP 91 CO 0.05 0.55 -0.17 0.14 0.02 0.00 0.00 176.95 177.53 2k3y s VAL 92 N -1.62 1.47 0.53 4.03 -7.23 -0.68 -4.93 120.40 111.97 2k3y s VAL 92 Ca 0.34 -1.54 -0.09 0.00 -1.81 0.00 0.00 61.98 58.88 2k3y s VAL 92 Cb -0.12 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 2k3y s VAL 92 CO 0.27 -0.20 0.89 -0.83 -0.31 0.00 0.00 175.10 174.92 2k3y s GLY 93 N -2.04 1.66 0.00 2.32 0.00 -1.26 -2.35 107.32 105.66 2k3y s GLY 93 Ca 0.05 -0.25 0.05 0.00 0.00 0.00 0.00 44.72 44.57 2k3y s GLY 93 CO 0.04 -0.03 0.80 2.98 0.00 0.00 0.00 173.10 176.88 2k3y n TYR 94 N -2.26 0.00 0.06 1.90 9.36 -1.18 -0.92 117.16 124.12 2k3y n TYR 94 Ca 0.03 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.24 2k3y n TYR 94 Cb 0.54 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.19 2k3y n TYR 94 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2k3y h ASP 95 N 0.00 0.00 0.00 2.98 3.58 -1.93 -3.40 116.42 117.65 2k3y h ASP 95 Ca 0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 2k3y h ASP 95 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 2k3y h ASP 95 CO 0.00 0.67 -1.91 0.54 -2.88 0.00 0.00 179.24 175.66 2k3y n ARG 96 N -3.07 0.40 -3.93 0.28 1.74 -0.09 -4.98 116.66 107.00 2k3y n ARG 96 Ca -0.06 0.09 -0.32 0.00 -0.77 0.00 0.00 57.85 56.80 2k3y n ARG 96 Cb 0.85 -1.31 -0.04 0.00 -1.02 0.00 0.00 32.46 30.94 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 -2.32 5.31 0.01 0.55 2.07 -0.63 -1.31 121.20 124.88 2k3y s ILE 97 Ca -0.22 -0.37 -0.09 0.00 -1.41 0.00 0.00 60.65 58.57 2k3y s ILE 97 Cb 0.06 -3.55 0.00 0.00 0.13 0.00 0.00 42.46 39.10 2k3y s ILE 97 CO 0.36 0.19 0.17 -0.13 -1.91 0.00 0.00 174.94 173.62 2k3y s ARG 98 N -2.33 0.56 0.46 3.50 0.52 -0.32 -4.43 118.95 116.91 2k3y s ARG 98 Ca 0.32 -0.45 -0.23 0.00 -0.52 0.00 0.00 55.73 54.85 2k3y s ARG 98 Cb -0.13 0.23 -0.07 0.00 0.52 0.00 0.00 34.95 35.50 2k3y s ARG 98 CO 0.25 -0.14 1.17 0.00 0.02 0.00 0.00 175.30 176.60 2k3y s ALA 99 N -1.70 2.98 -0.11 2.13 0.00 -1.26 -0.76 121.76 123.03 2k3y s ALA 99 Ca -0.12 0.95 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 2k3y s ALA 99 Cb -0.06 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 2k3y s ALA 99 CO 0.00 -0.67 2.05 -0.47 0.00 0.00 0.00 175.76 176.68 2k3y s TYR 100 N -1.53 1.30 0.21 0.00 6.14 -0.14 -4.67 117.35 118.67 2k3y s TYR 100 Ca 0.63 0.11 -0.21 0.00 0.64 0.00 0.00 57.07 58.24 2k3y s TYR 100 Cb -0.29 -4.07 0.04 0.00 0.42 0.00 0.00 41.96 38.06 2k3y s TYR 100 CO 0.35 -4.61 0.63 0.54 0.64 0.00 0.00 175.55 173.11 2k3y s ASN 101 N 6.27 -0.39 0.42 4.32 2.20 -1.26 -4.48 114.94 122.02 2k3y s ASN 101 Ca 0.93 -0.33 0.12 0.00 -0.94 0.00 0.00 52.86 52.64 2k3y s ASN 101 Cb -0.36 0.65 0.97 0.00 -2.00 0.00 0.00 41.25 40.51 2k3y s ASN 101 CO 0.37 -1.14 2.00 -0.08 -2.94 0.00 0.00 177.10 175.31 2k3y h GLU 102 N 2.03 0.45 -0.57 3.55 4.57 -1.95 -0.47 114.58 122.19 2k3y h GLU 102 Ca -0.27 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.83 2k3y h GLU 102 Cb 1.28 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 2k3y h GLU 102 CO 0.32 0.30 0.16 1.49 -1.18 0.00 0.00 179.01 180.10 2k3y h GLU 103 N 0.46 0.90 -0.23 1.92 4.81 -1.98 0.11 114.58 120.58 2k3y h GLU 103 Ca 0.25 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 2k3y h GLU 103 Cb 0.38 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2k3y h GLU 103 CO -0.07 0.82 -0.36 -0.91 -0.73 0.00 0.00 179.01 177.77 2k3y h ASN 104 N 0.81 0.51 -0.28 1.04 2.35 -1.47 -1.57 115.58 116.97 2k3y h ASN 104 Ca 0.18 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 2k3y h ASN 104 Cb 0.31 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 2k3y h ASN 104 CO -0.00 0.83 -0.16 0.40 -1.65 0.00 0.00 177.43 176.84 2k3y h ILE 105 N 0.41 1.26 -0.75 2.81 1.08 -0.78 0.24 117.51 121.79 2k3y h ILE 105 Ca 0.04 -1.22 -0.04 0.00 -0.39 0.00 0.00 64.86 63.25 2k3y h ILE 105 Cb 0.82 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 35.67 2k3y h ILE 105 CO 0.07 0.41 0.32 0.00 -0.69 0.00 0.00 178.15 178.26 2k3y h ALA 106 N 1.17 0.97 -0.05 1.87 0.00 -0.52 0.14 119.26 122.84 2k3y h ALA 106 Ca 0.10 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k3y h ALA 106 Cb 0.64 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2k3y h ALA 106 CO 0.04 0.57 -0.07 1.98 0.00 0.00 0.00 179.25 181.77 2k3y h MET 107 N 1.06 -0.10 -0.21 0.00 1.85 -0.91 -1.60 114.93 115.03 2k3y h MET 107 Ca 0.25 0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.37 2k3y h MET 107 Cb 0.18 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.20 2k3y h MET 107 CO -0.02 -0.07 0.05 -0.22 -0.40 0.00 0.00 176.91 176.25 2k3y h LYS 108 N -0.10 0.13 -0.20 0.39 3.64 0.22 -1.38 116.57 119.27 2k3y h LYS 108 Ca 0.05 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.22 2k3y h LYS 108 Cb 0.17 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2k3y h LYS 108 CO -0.11 0.08 -0.66 -0.22 -2.27 0.00 0.00 179.45 176.27 2k3y h LYS 109 N 0.13 0.76 -0.37 1.90 3.64 -0.70 0.21 116.57 122.15 2k3y h LYS 109 Ca 0.09 -0.55 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 2k3y h LYS 109 Cb 0.09 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2k3y h LYS 109 CO -0.12 1.17 0.15 -0.09 -2.27 0.00 0.00 179.45 178.29 2k3y h ARG 110 N 0.55 0.31 -0.11 1.90 1.12 -0.99 -2.11 114.38 115.05 2k3y h ARG 110 Ca -0.02 -0.02 -0.16 0.00 -1.11 0.00 0.00 59.98 58.67 2k3y h ARG 110 Cb 1.27 -0.07 0.01 0.00 -0.01 0.00 0.00 29.97 31.16 2k3y h ARG 110 CO 0.14 0.21 -0.56 -0.07 -3.11 0.00 0.00 179.97 176.57 2k3y h LEU 111 N 0.32 0.69 -2.00 3.80 3.38 -1.01 -0.70 115.31 119.80 2k3y h LEU 111 Ca 0.16 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k3y h LEU 111 Cb 0.11 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2k3y h LEU 111 CO -0.15 1.22 0.34 0.00 0.09 0.00 0.00 178.44 179.94 2k3y h ALA 112 N 0.49 1.34 0.00 1.53 0.00 -0.55 0.03 119.26 122.10 2k3y h ALA 112 Ca -0.04 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 2k3y h ALA 112 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2k3y h ALA 112 CO 0.12 -0.34 -1.50 0.09 0.00 0.00 0.00 179.25 177.62 2k3y n ASN 113 N -2.89 1.89 0.18 0.00 3.02 -0.80 -3.66 115.26 113.00 2k3y n ASN 113 Ca -0.02 0.42 0.05 0.00 -0.03 0.00 0.00 54.58 55.00 2k3y n ASN 113 Cb 0.38 -0.89 0.33 0.00 -0.61 0.00 0.00 39.78 38.99 2k3y n ASN 113 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2k3y h GLU 114 N -1.00 0.00 0.00 3.52 4.39 -0.67 -3.34 114.58 117.47 2k3y h GLU 114 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2k3y h GLU 114 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2k3y h GLU 114 CO -0.23 0.39 0.00 0.00 -1.16 0.00 0.00 179.01 178.02 2k3y n ALA 115 N -2.31 1.01 -1.55 3.43 0.00 -0.04 -5.00 120.51 116.04 2k3y n ALA 115 Ca -0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 53.44 52.60 2k3y n ALA 115 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.03 1.33 3.17 0.00 0.00 -1.15 -4.81 105.19 103.71 2k3y n GLY 116 Ca 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 6.24 0.28 0.50 1.61 0.01 -1.26 -4.99 113.70 116.09 2k3y s SER 117 Ca 0.66 -0.97 0.29 0.00 1.31 0.00 0.00 55.95 57.24 2k3y s SER 117 Cb 0.06 0.30 0.90 0.00 0.21 0.00 0.00 66.02 67.48 2k3y s SER 117 CO 0.16 -0.72 1.81 0.71 0.41 0.00 0.00 173.24 175.62 2k3y h THR 118 N 2.88 0.04 -0.13 1.44 1.35 -1.97 -3.47 112.91 113.04 2k3y h THR 118 Ca -0.34 -0.77 -0.05 0.00 -0.55 0.00 0.00 66.41 64.70 2k3y h THR 118 Cb 1.19 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 69.32 2k3y h THR 118 CO 0.59 0.02 -0.05 0.61 -0.25 0.00 0.00 175.52 176.44 2k3y n GLY 119 N 0.51 0.49 2.50 5.82 0.00 -1.26 -4.86 105.19 108.38 2k3y n GLY 119 Ca 0.02 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 2k3y n GLY 119 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3y n SER 120 N -0.30 6.27 -3.97 1.61 7.64 -1.26 -4.21 113.62 119.40 2k3y n SER 120 Ca -0.03 -2.41 -0.08 0.00 1.01 0.00 0.00 58.87 57.36 2k3y n SER 120 Cb 0.28 -1.26 -0.09 0.00 -1.01 0.00 0.00 64.21 62.13 2k3y n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3y s ALA 121 N 2.96 0.11 -1.96 -0.43 0.00 -1.26 -5.04 121.76 116.14 2k3y s ALA 121 Ca 0.50 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2k3y s ALA 121 Cb 0.13 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2k3y s ALA 121 CO -0.04 -0.40 0.05 -2.30 0.00 0.00 0.00 175.76 173.06 2k3y n PRO 122 N 0.23 0.05 0.00 0.00 -0.02 -1.26 -1.80 135.00 132.20 2k3y n PRO 122 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2k3y n PRO 122 Cb 0.61 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 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 -0.46 1.71 0.00 3.55 0.00 -1.26 -5.04 120.51 119.01 2k3y n ALA 123 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2k3y n ALA 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k3y n ALA 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3y n THR 124 N -0.19 0.00 0.00 0.00 -1.04 -0.75 -4.75 114.28 107.56 2k3y n THR 124 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k3y n THR 124 Cb 0.21 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 2k3y n THR 124 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3y n GLY 125 N 0.00 1.51 0.00 3.41 0.00 -1.26 -2.98 105.19 105.87 2k3y n GLY 125 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 -0.02 0.00 -1.26 -5.03 105.19 98.87 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 0.00 0.00 0.00 1.61 0.31 -1.16 -4.25 118.33 114.84 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 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2k3y n VAL 127 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2k3y n LYS 129 N 0.00 0.00 0.01 5.55 4.76 -1.26 -4.95 118.16 122.26 2k3y n LYS 129 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2k3y n LYS 129 Cb 0.00 0.00 0.37 0.00 -1.84 0.00 0.00 35.03 33.56 2k3y n LYS 129 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2k3y n PRO 130 N 0.00 0.03 -0.34 1.97 -0.04 -1.26 -4.35 135.00 131.00 2k3y n PRO 130 Ca 0.00 0.01 0.27 0.00 -0.04 0.00 0.00 63.50 63.74 2k3y n PRO 130 Cb 0.00 -1.52 0.52 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.85 -2.45 0.54 2.07 -2.03 -3.40 115.15 110.74 2k3y h HIS 131 Ca 0.00 0.04 -0.08 0.00 -2.85 0.00 0.00 60.37 57.47 2k3y h HIS 131 Cb 0.52 -0.22 -0.20 0.00 2.57 0.00 0.00 27.41 30.09 2k3y h HIS 131 CO 0.00 -0.24 -0.01 -0.98 -3.07 0.00 0.00 177.93 173.63 2k3y s ARG 132 N -5.58 0.88 0.22 5.12 1.70 -1.26 -5.19 118.95 114.84 2k3y s ARG 132 Ca -0.09 0.09 -0.22 0.00 -0.47 0.00 0.00 55.73 55.03 2k3y s ARG 132 Cb 0.31 0.41 0.04 0.00 -0.57 0.00 0.00 34.95 35.14 2k3y s ARG 132 CO 0.79 -0.26 0.69 1.52 -1.08 0.00 0.00 175.30 176.96 2k3y s TYR 133 N -1.19 -0.33 0.00 5.89 -0.85 -1.26 -5.03 117.35 114.58 2k3y s TYR 133 Ca -0.12 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.41 2k3y s TYR 133 Cb -0.02 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.96 2k3y s TYR 133 CO 0.07 -1.05 0.00 -2.13 -1.52 0.00 0.00 175.55 170.92