#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyj h ASP 9 N 0.00 0.46 -0.57 7.83 3.32 -2.05 -2.33 116.42 123.07 3kyj h ASP 9 Ca 0.00 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3kyj h ASP 9 Cb 0.00 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3kyj h ASP 9 CO 0.00 0.28 0.07 -0.08 -1.72 0.00 0.00 179.24 177.79 3kyj h GLU 10 N 0.60 0.97 -0.12 3.56 4.81 -2.05 -1.50 114.58 120.85 3kyj h GLU 10 Ca 0.31 -0.27 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 3kyj h GLU 10 Cb 0.27 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3kyj h GLU 10 CO -0.23 0.94 -0.60 0.97 -0.73 0.00 0.00 179.01 179.36 3kyj h ILE 11 N 0.86 1.36 -0.31 2.32 2.10 -1.94 -1.24 117.51 120.66 3kyj h ILE 11 Ca 0.17 -1.93 -0.12 0.00 1.08 0.00 0.00 64.86 64.06 3kyj h ILE 11 Cb 0.46 1.93 -0.01 0.00 -1.09 0.00 0.00 36.82 38.10 3kyj h ILE 11 CO 0.02 0.58 -0.31 -0.50 -1.08 0.00 0.00 178.15 176.86 3kyj h TRP 12 N 0.29 0.76 -0.55 2.19 4.06 -1.30 0.13 115.95 121.53 3kyj h TRP 12 Ca -0.00 -0.19 -0.02 0.00 2.06 0.00 0.00 58.89 60.73 3kyj h TRP 12 Cb 1.13 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 29.09 3kyj h TRP 12 CO 0.03 0.89 0.27 0.00 -3.56 0.00 0.00 178.44 176.08 3kyj h ALA 13 N 1.10 0.71 -0.44 1.49 0.00 -1.04 -2.35 119.26 118.72 3kyj h ALA 13 Ca 0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3kyj h ALA 13 Cb 0.81 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kyj h ALA 13 CO 0.07 0.26 -0.16 1.25 0.00 0.00 0.00 179.25 180.66 3kyj h LEU 14 N 0.74 0.85 -0.64 0.00 5.85 -1.00 -1.50 115.31 119.61 3kyj h LEU 14 Ca 0.19 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3kyj h LEU 14 Cb 0.10 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 3kyj h LEU 14 CO -0.03 1.01 0.35 0.22 -0.34 0.00 0.00 178.44 179.66 3kyj h TYR 15 N 0.75 0.65 -0.32 1.25 3.20 -0.76 0.99 116.97 122.73 3kyj h TYR 15 Ca 0.11 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 3kyj h TYR 15 Cb 0.68 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3kyj h TYR 15 CO 0.04 0.31 -0.26 0.00 -1.64 0.00 0.00 178.16 176.61 3kyj h ALA 16 N 1.33 0.47 0.13 1.82 0.00 -1.13 -1.02 119.26 120.86 3kyj h ALA 16 Ca 0.29 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kyj h ALA 16 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kyj h ALA 16 CO -0.18 0.47 -0.06 0.22 0.00 0.00 0.00 179.25 179.70 3kyj h ASP 17 N 0.52 -0.15 -0.42 0.00 3.58 -1.00 -1.67 116.42 117.28 3kyj h ASP 17 Ca 0.06 -0.40 -0.04 0.00 0.42 0.00 0.00 57.03 57.07 3kyj h ASP 17 Cb 0.83 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 3kyj h ASP 17 CO 0.07 0.39 0.13 -0.78 -2.88 0.00 0.00 179.24 176.17 3kyj h ASP 18 N -0.76 0.66 -0.64 2.28 3.58 -0.91 -2.18 116.42 118.44 3kyj h ASP 18 Ca -0.02 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 3kyj h ASP 18 Cb 0.54 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 3kyj h ASP 18 CO 0.03 0.64 0.07 1.23 -2.88 0.00 0.00 179.24 178.34 3kyj h GLY 19 N 0.89 1.17 1.06 -0.78 0.00 -1.19 -1.22 103.07 102.99 3kyj h GLY 19 Ca 0.16 -0.80 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 3kyj h GLY 19 CO -0.01 0.74 0.13 0.00 0.00 0.00 0.00 176.54 177.40 3kyj h ALA 20 N 1.02 0.87 -0.55 3.60 0.00 -0.86 -0.51 119.26 122.84 3kyj h ALA 20 Ca 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3kyj h ALA 20 Cb 0.48 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kyj h ALA 20 CO 0.02 0.62 0.28 1.96 0.00 0.00 0.00 179.25 182.13 3kyj h GLN 21 N 1.00 0.78 -0.35 0.00 1.08 -1.17 0.10 115.11 116.55 3kyj h GLN 21 Ca 0.20 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 3kyj h GLN 21 Cb 0.41 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3kyj h GLN 21 CO 0.01 0.63 0.07 0.00 -0.95 0.00 0.00 178.83 178.59 3kyj h ALA 22 N 1.12 0.47 -0.14 3.87 0.00 -0.94 -1.70 119.26 121.93 3kyj h ALA 22 Ca 0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3kyj h ALA 22 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kyj h ALA 22 CO -0.03 0.16 -0.31 -0.07 0.00 0.00 0.00 179.25 179.00 3kyj h LEU 23 N 0.42 0.27 -0.77 0.00 3.38 -0.99 -0.16 115.31 117.46 3kyj h LEU 23 Ca 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3kyj h LEU 23 Cb 0.33 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3kyj h LEU 23 CO 0.00 0.58 0.44 0.44 0.09 0.00 0.00 178.44 179.99 3kyj h ASP 24 N 0.24 0.96 -0.35 -0.43 3.32 -0.70 0.15 116.42 119.62 3kyj h ASP 24 Ca 0.03 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.85 3kyj h ASP 24 Cb 0.67 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3kyj h ASP 24 CO 0.05 0.77 -0.34 0.00 -1.72 0.00 0.00 179.24 178.00 3kyj h ALA 25 N 1.23 0.67 0.07 3.45 0.00 -0.76 -0.25 119.26 123.67 3kyj h ALA 25 Ca 0.27 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kyj h ALA 25 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kyj h ALA 25 CO -0.05 0.67 -0.04 1.98 0.00 0.00 0.00 179.25 181.82 3kyj h MET 26 N 0.74 -0.10 -0.69 0.00 1.85 -0.72 -1.95 114.93 114.07 3kyj h MET 26 Ca 0.07 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.14 3kyj h MET 26 Cb 0.91 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.93 3kyj h MET 26 CO 0.08 -0.04 0.30 1.49 -0.40 0.00 0.00 176.91 178.34 3kyj h GLU 27 N -0.12 1.01 -0.64 0.39 4.81 -0.92 -2.21 114.58 116.89 3kyj h GLU 27 Ca -0.01 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3kyj h GLU 27 Cb 0.10 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3kyj h GLU 27 CO 0.02 0.81 0.41 0.00 -0.73 0.00 0.00 179.01 179.52 3kyj h ALA 28 N 1.14 0.82 -0.56 2.92 0.00 -0.88 -0.15 119.26 122.55 3kyj h ALA 28 Ca 0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kyj h ALA 28 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kyj h ALA 28 CO -0.02 0.27 0.16 0.77 0.00 0.00 0.00 179.25 180.42 3kyj h SER 29 N 0.87 0.84 -0.52 0.00 0.02 -1.17 -1.03 113.55 112.56 3kyj h SER 29 Ca 0.23 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 3kyj h SER 29 Cb -0.06 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 3kyj h SER 29 CO -0.05 0.84 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.26 3kyj h LEU 30 N 0.80 1.03 -0.73 5.07 3.38 -1.07 -1.46 115.31 122.33 3kyj h LEU 30 Ca 0.18 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 3kyj h LEU 30 Cb 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3kyj h LEU 30 CO -0.00 1.16 -0.31 -0.07 0.09 0.00 0.00 178.44 179.31 3kyj h LEU 31 N 0.90 0.64 -0.83 1.67 3.38 -0.95 -0.15 115.31 119.96 3kyj h LEU 31 Ca 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3kyj h LEU 31 Cb 0.72 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3kyj h LEU 31 CO 0.06 0.91 0.39 0.00 0.09 0.00 0.00 178.44 179.89 3kyj h ALA 32 N 1.13 1.08 -0.56 1.53 0.00 -0.99 -1.46 119.26 119.99 3kyj h ALA 32 Ca 0.06 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3kyj h ALA 32 Cb 0.80 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kyj h ALA 32 CO 0.07 0.66 -0.02 -0.07 0.00 0.00 0.00 179.25 179.88 3kyj h LEU 33 N 1.19 1.00 -1.65 0.00 3.38 -0.82 -1.67 115.31 116.73 3kyj h LEU 33 Ca 0.29 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3kyj h LEU 33 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3kyj h LEU 33 CO -0.03 1.07 -0.19 -0.61 0.09 0.00 0.00 178.44 178.77 3kyj h GLN 34 N 0.90 0.00 -0.01 1.13 4.15 -0.74 -1.48 115.11 119.06 3kyj h GLN 34 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3kyj h GLN 34 Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 3kyj h GLN 34 CO 0.03 0.19 -0.02 0.00 -1.93 0.00 0.00 178.83 177.10 3kyj n ALA 35 N -2.48 2.66 0.00 3.38 0.00 -0.57 -4.90 120.51 118.59 3kyj n ALA 35 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3kyj n ALA 35 Cb 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3kyj n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kyj n GLY 36 N 1.11 1.04 3.84 0.00 0.00 -0.56 -5.08 105.19 105.55 3kyj n GLY 36 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3kyj n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kyj s GLU 37 N -0.59 3.00 0.17 1.61 2.02 -0.68 -5.01 118.70 119.22 3kyj s GLU 37 Ca 0.00 0.78 -0.27 0.00 0.02 0.00 0.00 54.97 55.50 3kyj s GLU 37 Cb 0.00 -2.01 -0.08 0.00 0.10 0.00 0.00 34.13 32.14 3kyj s GLU 37 CO 0.00 -1.01 0.85 0.34 0.02 0.00 0.00 175.26 175.46 3kyj s ASP 38 N -4.00 7.47 0.50 -0.19 2.15 -1.26 -4.56 116.67 116.78 3kyj s ASP 38 Ca 0.58 1.74 0.29 0.00 0.43 0.00 0.00 52.55 55.59 3kyj s ASP 38 Cb -0.13 -2.54 1.39 0.00 -0.30 0.00 0.00 42.92 41.34 3kyj s ASP 38 CO 0.54 0.14 1.86 0.00 -0.17 0.00 0.00 175.17 177.54 3kyj h ALA 39 N 4.56 2.72 -0.55 3.66 0.00 -1.95 -2.07 119.26 125.63 3kyj h ALA 39 Ca -0.46 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.50 3kyj h ALA 39 Cb 1.20 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3kyj h ALA 39 CO 0.68 -1.02 0.37 0.00 0.00 0.00 0.00 179.25 179.28 3kyj h ALA 40 N 1.54 1.84 0.00 0.00 0.00 -2.02 -0.84 119.26 119.78 3kyj h ALA 40 Ca 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3kyj h ALA 40 Cb 1.70 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3kyj h ALA 40 CO -0.07 0.07 -0.42 0.00 0.00 0.00 0.00 179.25 178.83 3kyj h ALA 41 N 1.70 0.72 0.00 0.00 0.00 -1.77 -3.41 119.26 116.50 3kyj h ALA 41 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kyj h ALA 41 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kyj h ALA 41 CO -0.07 0.00 -0.90 0.72 0.00 0.00 0.00 179.25 179.00 3kyj n HIS 42 N -2.21 0.00 -0.18 0.00 8.25 -0.58 -4.64 115.22 115.86 3kyj n HIS 42 Ca 0.04 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.43 3kyj n HIS 42 Cb 0.44 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.64 3kyj n HIS 42 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3kyj h VAL 43 N 0.00 1.26 0.39 1.59 -1.51 -1.43 -0.88 116.25 115.67 3kyj h VAL 43 Ca 0.00 -1.08 -0.02 0.00 -1.23 0.00 0.00 66.70 64.37 3kyj h VAL 43 Cb 0.07 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.02 3kyj h VAL 43 CO 0.00 0.39 -0.19 1.23 -1.23 0.00 0.00 177.57 177.77 3kyj h GLY 44 N 1.00 -0.55 0.74 5.19 0.00 -1.85 -0.52 103.07 107.09 3kyj h GLY 44 Ca 0.17 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.77 3kyj h GLY 44 CO 0.02 -0.20 0.65 -2.55 0.00 0.00 0.00 176.54 174.46 3kyj h PRO 45 N -0.66 1.13 -0.15 4.80 0.11 -1.81 -0.58 132.00 134.85 3kyj h PRO 45 Ca -0.05 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 3kyj h PRO 45 Cb 0.48 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3kyj h PRO 45 CO 0.09 0.75 0.06 1.25 -0.21 0.00 0.00 178.00 179.93 3kyj h LEU 46 N 1.17 0.20 -0.20 2.35 5.85 -1.05 -1.44 115.31 122.19 3kyj h LEU 46 Ca 0.43 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.01 3kyj h LEU 46 Cb 0.18 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3kyj h LEU 46 CO -0.17 0.32 0.07 0.15 -0.34 0.00 0.00 178.44 178.46 3kyj h PHE 47 N 0.08 0.12 -0.84 1.25 3.57 -0.68 -2.11 116.94 118.32 3kyj h PHE 47 Ca 0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3kyj h PHE 47 Cb 0.18 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 3kyj h PHE 47 CO -0.01 0.06 0.46 0.00 -2.23 0.00 0.00 178.31 176.59 3kyj h ARG 48 N 0.16 1.16 -0.31 1.11 3.08 -0.98 0.73 114.38 119.33 3kyj h ARG 48 Ca 0.09 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3kyj h ARG 48 Cb 0.06 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3kyj h ARG 48 CO -0.10 0.84 0.10 0.00 -1.07 0.00 0.00 179.97 179.75 3kyj h ALA 49 N 1.34 0.41 -0.51 0.04 0.00 -0.97 -0.45 119.26 119.12 3kyj h ALA 49 Ca 0.30 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3kyj h ALA 49 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kyj h ALA 49 CO -0.05 0.04 -0.16 0.28 0.00 0.00 0.00 179.25 179.36 3kyj h VAL 50 N 0.35 1.27 -0.69 0.00 2.07 -1.12 -1.53 116.25 116.59 3kyj h VAL 50 Ca 0.10 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 3kyj h VAL 50 Cb 0.24 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3kyj h VAL 50 CO -0.00 0.46 0.30 -0.74 0.02 0.00 0.00 177.57 177.60 3kyj h HIS 51 N 0.87 1.04 -0.19 1.57 6.17 -0.68 0.44 115.15 124.37 3kyj h HIS 51 Ca 0.13 -0.07 -0.01 0.00 0.71 0.00 0.00 60.37 61.13 3kyj h HIS 51 Cb 0.73 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 30.34 3kyj h HIS 51 CO 0.05 0.79 0.10 1.15 0.71 0.00 0.00 177.93 180.73 3kyj h THR 52 N 0.98 1.12 -0.67 6.26 2.02 -0.93 -0.62 112.91 121.07 3kyj h THR 52 Ca 0.23 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 67.07 3kyj h THR 52 Cb 0.18 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3kyj h THR 52 CO -0.02 0.12 0.44 0.15 0.37 0.00 0.00 175.52 176.58 3kyj h PHE 53 N 0.19 0.84 0.02 3.16 3.57 -0.80 -0.38 116.94 123.54 3kyj h PHE 53 Ca 0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3kyj h PHE 53 Cb 0.10 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3kyj h PHE 53 CO -0.03 0.53 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.30 3kyj h LYS 54 N 0.90 -0.11 -0.60 1.11 3.64 -0.78 -2.18 116.57 118.55 3kyj h LYS 54 Ca 0.25 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3kyj h LYS 54 Cb -0.09 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3kyj h LYS 54 CO -0.06 -0.08 0.32 0.78 -2.27 0.00 0.00 179.45 178.14 3kyj h GLY 55 N -0.12 0.89 0.97 5.01 0.00 -0.76 -1.31 103.07 107.75 3kyj h GLY 55 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3kyj h GLY 55 CO -0.05 0.38 0.19 3.43 0.00 0.00 0.00 176.54 180.50 3kyj h ASN 56 N 0.84 0.68 -0.17 0.19 4.21 -0.87 -1.65 115.58 118.82 3kyj h ASN 56 Ca 0.21 -0.17 -0.10 0.00 1.21 0.00 0.00 56.30 57.45 3kyj h ASN 56 Cb 0.04 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.05 3kyj h ASN 56 CO -0.03 0.67 -0.24 0.28 -1.29 0.00 0.00 177.43 176.82 3kyj h SER 57 N 0.66 0.62 -0.76 5.81 0.02 -1.03 -2.83 113.55 116.04 3kyj h SER 57 Ca 0.16 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 3kyj h SER 57 Cb 0.20 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3kyj h SER 57 CO -0.01 0.85 0.30 -0.09 -1.14 0.00 0.00 176.83 176.74 3kyj h ARG 58 N 0.54 1.14 -0.91 3.45 2.43 -0.91 -0.81 114.38 119.32 3kyj h ARG 58 Ca 0.08 -0.21 0.15 0.00 -0.81 0.00 0.00 59.98 59.19 3kyj h ARG 58 Cb 0.70 -0.18 -0.09 0.00 -0.42 0.00 0.00 29.97 29.97 3kyj h ARG 58 CO 0.05 0.93 0.51 0.28 -1.51 0.00 0.00 179.97 180.24 3kyj h VAL 59 N 1.10 0.77 -0.28 0.20 2.07 -1.05 -1.25 116.25 117.80 3kyj h VAL 59 Ca 0.25 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kyj h VAL 59 Cb 0.22 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3kyj h VAL 59 CO -0.02 0.13 0.00 0.18 0.02 0.00 0.00 177.57 177.88 3kyj n LEU 60 N -4.80 2.26 -1.03 2.57 4.77 -1.07 -4.94 117.00 114.76 3kyj n LEU 60 Ca 0.19 -1.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.07 3kyj n LEU 60 Cb 0.44 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 3kyj n LEU 60 CO 0.22 0.50 -0.12 0.61 -1.33 0.00 0.00 177.39 177.28 3kyj n GLY 61 N 1.24 0.26 3.17 -0.72 0.00 -0.47 -4.94 105.19 103.73 3kyj n GLY 61 Ca 0.17 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 3kyj n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kyj n LEU 62 N -1.34 5.93 -0.04 0.99 4.77 -0.35 -4.83 117.00 122.13 3kyj n LEU 62 Ca -0.11 -4.67 0.02 0.00 -0.03 0.00 0.00 56.01 51.22 3kyj n LEU 62 Cb 0.52 -1.51 0.36 0.00 -2.33 0.00 0.00 43.42 40.46 3kyj n LEU 62 CO 0.14 1.14 1.12 0.77 -1.33 0.00 0.00 177.39 179.23 3kyj h SER 63 N 6.37 0.55 -0.04 -1.43 4.64 -1.92 0.09 113.55 121.81 3kyj h SER 63 Ca 0.32 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 3kyj h SER 63 Cb 0.75 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3kyj h SER 63 CO 1.38 0.45 -0.10 0.58 -0.87 0.00 0.00 176.83 178.27 3kyj h VAL 64 N 0.63 1.44 -0.40 0.95 2.07 -1.88 -1.02 116.25 118.05 3kyj h VAL 64 Ca 0.16 -1.47 0.06 0.00 0.82 0.00 0.00 66.70 66.27 3kyj h VAL 64 Cb 0.02 2.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 3kyj h VAL 64 CO -0.03 0.40 0.11 0.58 0.02 0.00 0.00 177.57 178.65 3kyj h VAL 65 N -0.39 0.83 -0.76 2.57 2.07 -1.78 -2.22 116.25 116.56 3kyj h VAL 65 Ca -0.00 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.54 3kyj h VAL 65 Cb 0.70 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.96 3kyj h VAL 65 CO 0.02 0.04 0.40 -0.08 0.02 0.00 0.00 177.57 177.98 3kyj h GLU 66 N 0.25 0.64 -0.06 1.57 4.81 -0.92 -2.16 114.58 118.70 3kyj h GLU 66 Ca 0.19 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3kyj h GLU 66 Cb 0.21 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3kyj h GLU 66 CO -0.23 0.42 -0.29 0.66 -0.73 0.00 0.00 179.01 178.85 3kyj h SER 67 N 0.66 0.11 -0.12 1.04 4.64 -0.55 0.13 113.55 119.45 3kyj h SER 67 Ca 0.38 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.58 3kyj h SER 67 Cb 0.41 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3kyj h SER 67 CO -0.28 0.40 -0.26 0.03 -0.87 0.00 0.00 176.83 175.85 3kyj h ARG 68 N 0.10 0.39 -0.62 4.77 -0.00 -1.23 -2.51 114.38 115.28 3kyj h ARG 68 Ca 0.01 -0.26 -0.03 0.00 -0.50 0.00 0.00 59.98 59.20 3kyj h ARG 68 Cb 0.56 0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.54 3kyj h ARG 68 CO 0.04 0.86 0.26 0.00 0.00 0.00 0.00 179.97 181.13 3kyj h ALA 69 N 0.53 1.29 -0.44 0.04 0.00 -1.11 -2.39 119.26 117.18 3kyj h ALA 69 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3kyj h ALA 69 Cb 0.86 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3kyj h ALA 69 CO 0.06 0.53 0.17 1.25 0.00 0.00 0.00 179.25 181.26 3kyj h HIS 70 N 0.89 0.68 -0.73 0.00 -0.00 -0.69 -0.54 115.15 114.76 3kyj h HIS 70 Ca 0.21 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.47 3kyj h HIS 70 Cb 0.16 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.33 3kyj h HIS 70 CO 0.01 0.59 0.21 1.25 -0.00 0.00 0.00 177.93 180.00 3kyj h LEU 71 N 0.57 1.07 -0.58 0.26 5.85 -1.26 -0.60 115.31 120.62 3kyj h LEU 71 Ca 0.15 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3kyj h LEU 71 Cb 0.21 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3kyj h LEU 71 CO -0.01 1.00 0.30 0.00 -0.34 0.00 0.00 178.44 179.39 3kyj h GLU 73 N 0.57 1.11 -0.58 0.00 4.81 -0.44 -1.15 114.58 118.90 3kyj h GLU 73 Ca 0.26 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3kyj h GLU 73 Cb 0.16 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3kyj h GLU 73 CO -0.17 0.94 0.37 -0.44 -0.73 0.00 0.00 179.01 178.97 3kyj h ASP 74 N 1.07 0.61 -0.27 1.04 3.32 -0.78 0.14 116.42 121.55 3kyj h ASP 74 Ca 0.24 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 3kyj h ASP 74 Cb 0.28 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3kyj h ASP 74 CO -0.01 0.43 -0.02 0.25 -1.72 0.00 0.00 179.24 178.18 3kyj h LEU 75 N 0.73 0.48 -1.03 1.55 5.85 -0.76 -2.00 115.31 120.13 3kyj h LEU 75 Ca 0.23 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3kyj h LEU 75 Cb -0.02 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3kyj h LEU 75 CO -0.08 0.68 0.19 0.40 -0.34 0.00 0.00 178.44 179.29 3kyj h ILE 76 N 0.26 1.23 -0.20 4.05 2.04 -1.06 -2.19 117.51 121.63 3kyj h ILE 76 Ca 0.07 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 3kyj h ILE 76 Cb 0.45 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3kyj h ILE 76 CO 0.02 0.29 0.09 1.23 0.00 0.00 0.00 178.15 179.78 3kyj h GLY 77 N 0.99 0.29 1.06 5.37 0.00 -0.37 -1.16 103.07 109.25 3kyj h GLY 77 Ca 0.20 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 3kyj h GLY 77 CO -0.01 0.12 0.20 1.41 0.00 0.00 0.00 176.54 178.25 3kyj h LEU 78 N 0.28 1.08 -0.17 3.11 3.38 -0.71 0.17 115.31 122.44 3kyj h LEU 78 Ca 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3kyj h LEU 78 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3kyj h LEU 78 CO -0.01 1.02 0.05 0.58 0.09 0.00 0.00 178.44 180.17 3kyj h VAL 79 N 1.09 1.19 -0.25 1.22 2.07 -1.32 -0.35 116.25 119.89 3kyj h VAL 79 Ca 0.23 -0.60 -0.15 0.00 0.82 0.00 0.00 66.70 67.00 3kyj h VAL 79 Cb 0.35 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3kyj h VAL 79 CO -0.00 0.18 -0.47 -0.09 0.02 0.00 0.00 177.57 177.21 3kyj h ARG 80 N 0.10 0.66 0.00 1.57 2.43 -0.94 -3.35 114.38 114.86 3kyj h ARG 80 Ca 0.06 -0.38 -0.09 0.00 -0.81 0.00 0.00 59.98 58.76 3kyj h ARG 80 Cb 0.24 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3kyj h ARG 80 CO -0.00 0.99 -1.35 -0.25 -1.51 0.00 0.00 179.97 177.85 3kyj n ASP 81 N -4.01 3.70 -0.58 -3.80 8.00 0.57 -4.73 116.55 115.70 3kyj n ASP 81 Ca -0.03 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.54 3kyj n ASP 81 Cb 0.57 0.70 0.17 0.00 -0.02 0.00 0.00 41.12 42.53 3kyj n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kyj n ALA 82 N -2.14 2.46 -1.04 2.24 0.00 -0.18 -4.98 120.51 116.87 3kyj n ALA 82 Ca -0.08 -1.72 -0.01 0.00 0.00 0.00 0.00 53.44 51.63 3kyj n ALA 82 Cb 0.62 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 3kyj n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kyj n GLY 83 N -0.22 0.46 3.70 0.00 0.00 -0.99 -4.93 105.19 103.21 3kyj n GLY 83 Ca 0.14 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3kyj n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kyj s VAL 84 N -1.82 4.18 0.48 1.61 1.01 -1.04 -5.00 120.40 119.82 3kyj s VAL 84 Ca 0.00 1.54 -0.23 0.00 0.00 0.00 0.00 61.98 63.28 3kyj s VAL 84 Cb 0.00 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 3kyj s VAL 84 CO 0.00 0.05 1.25 -2.84 0.00 0.00 0.00 175.10 173.56 3kyj s PRO 85 N 1.75 3.60 -1.19 2.72 0.02 -1.26 -4.09 135.00 136.55 3kyj s PRO 85 Ca 0.57 1.99 -0.18 0.00 0.02 0.00 0.00 61.00 63.40 3kyj s PRO 85 Cb -0.27 -2.42 -0.03 0.00 0.02 0.00 0.00 34.50 31.80 3kyj s PRO 85 CO 0.25 -0.74 2.05 -0.12 -0.33 0.00 0.00 177.00 178.10 3kyj n MET 86 N -0.55 2.35 -1.70 5.54 1.56 -1.26 -4.94 117.12 118.12 3kyj n MET 86 Ca 0.08 -2.43 -0.29 0.00 -0.27 0.00 0.00 57.70 54.79 3kyj n MET 86 Cb 0.46 -3.23 0.15 0.00 2.15 0.00 0.00 33.22 32.75 3kyj n MET 86 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 3kyj s ASP 87 N 4.18 3.41 0.44 6.12 1.47 -1.26 -4.83 116.67 126.21 3kyj s ASP 87 Ca 0.53 0.68 0.13 0.00 1.18 0.00 0.00 52.55 55.07 3kyj s ASP 87 Cb 0.12 -1.05 0.99 0.00 -0.34 0.00 0.00 42.92 42.64 3kyj s ASP 87 CO 0.02 -2.58 2.01 1.23 0.68 0.00 0.00 175.17 176.53 3kyj h GLY 88 N -1.53 0.11 0.93 2.12 0.00 -2.00 -2.19 103.07 100.52 3kyj h GLY 88 Ca -0.47 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 3kyj h GLY 88 CO 0.54 0.05 -0.30 -2.09 0.00 0.00 0.00 176.54 174.74 3kyj h GLU 89 N 0.10 0.64 -0.43 4.80 4.81 -1.98 -1.57 114.58 120.94 3kyj h GLU 89 Ca 0.02 -0.36 0.04 0.00 -0.13 0.00 0.00 59.36 58.93 3kyj h GLU 89 Cb 0.24 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3kyj h GLU 89 CO 0.01 0.97 0.21 0.82 -0.73 0.00 0.00 179.01 180.29 3kyj h ILE 90 N 0.35 0.95 -0.74 2.32 2.04 -1.77 -0.56 117.51 120.09 3kyj h ILE 90 Ca 0.03 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3kyj h ILE 90 Cb 0.88 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3kyj h ILE 90 CO 0.07 0.08 0.48 0.58 0.00 0.00 0.00 178.15 179.36 3kyj h VAL 91 N 0.42 1.20 0.01 1.67 2.07 -1.30 -1.06 116.25 119.26 3kyj h VAL 91 Ca 0.19 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3kyj h VAL 91 Cb 0.11 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3kyj h VAL 91 CO -0.14 0.19 -0.00 -0.08 0.02 0.00 0.00 177.57 177.56 3kyj h GLU 92 N 1.01 -0.01 -0.86 1.57 4.81 -0.89 -0.53 114.58 119.68 3kyj h GLU 92 Ca 0.27 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 3kyj h GLU 92 Cb -0.10 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3kyj h GLU 92 CO -0.06 0.07 0.44 0.82 -0.73 0.00 0.00 179.01 179.56 3kyj h ILE 93 N -0.09 1.26 -0.02 2.32 2.04 -0.92 -1.83 117.51 120.28 3kyj h ILE 93 Ca -0.00 -0.68 -0.15 0.00 1.00 0.00 0.00 64.86 65.02 3kyj h ILE 93 Cb 0.08 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3kyj h ILE 93 CO 0.00 0.30 -0.70 -0.07 0.00 0.00 0.00 178.15 177.69 3kyj h LEU 94 N 1.22 0.11 -0.51 1.44 3.38 -0.97 0.85 115.31 120.83 3kyj h LEU 94 Ca 0.30 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3kyj h LEU 94 Cb 0.07 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3kyj h LEU 94 CO -0.04 0.77 0.22 -0.07 0.09 0.00 0.00 178.44 179.41 3kyj h LEU 95 N 0.06 0.68 -0.59 1.67 3.38 -0.77 0.12 115.31 119.86 3kyj h LEU 95 Ca -0.01 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3kyj h LEU 95 Cb 1.23 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3kyj h LEU 95 CO 0.10 0.64 0.39 0.15 0.09 0.00 0.00 178.44 179.81 3kyj h PHE 96 N 0.67 0.73 -0.91 1.13 3.57 -1.05 -2.07 116.94 119.02 3kyj h PHE 96 Ca 0.17 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3kyj h PHE 96 Cb 0.16 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 3kyj h PHE 96 CO -0.00 0.45 0.60 0.00 -2.23 0.00 0.00 178.31 177.13 3kyj h ALA 97 N 1.23 1.17 -0.70 2.41 0.00 -0.46 -1.10 119.26 121.81 3kyj h ALA 97 Ca 0.22 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kyj h ALA 97 Cb -0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 3kyj h ALA 97 CO -0.06 0.51 0.18 0.66 0.00 0.00 0.00 179.25 180.54 3kyj h SER 98 N 1.19 1.06 -0.54 0.00 4.64 -0.22 0.19 113.55 119.87 3kyj h SER 98 Ca 0.34 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 3kyj h SER 98 Cb -0.08 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.71 3kyj h SER 98 CO -0.09 1.01 -0.01 0.44 -0.87 0.00 0.00 176.83 177.31 3kyj h ASP 99 N 1.06 0.97 -0.15 4.97 3.32 -0.98 -1.10 116.42 124.51 3kyj h ASP 99 Ca 0.22 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3kyj h ASP 99 Cb 0.36 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3kyj h ASP 99 CO 0.00 1.03 0.01 0.74 -1.72 0.00 0.00 179.24 179.30 3kyj h THR 100 N 0.91 1.24 -0.70 0.35 2.02 -0.70 -2.39 112.91 113.64 3kyj h THR 100 Ca 0.16 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.58 3kyj h THR 100 Cb 0.54 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.39 3kyj h THR 100 CO 0.03 0.23 0.46 -0.07 0.37 0.00 0.00 175.52 176.54 3kyj h LEU 101 N 0.01 0.76 -0.34 2.58 3.38 -0.53 -1.16 115.31 120.00 3kyj h LEU 101 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3kyj h LEU 101 Cb 0.34 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kyj h LEU 101 CO 0.01 0.54 0.15 0.03 0.09 0.00 0.00 178.44 179.26 3kyj h ARG 102 N 0.89 0.50 -0.79 1.13 3.08 -1.02 0.13 114.38 118.31 3kyj h ARG 102 Ca 0.27 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 3kyj h ARG 102 Cb -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3kyj h ARG 102 CO -0.07 0.47 0.31 0.00 -1.07 0.00 0.00 179.97 179.62 3kyj h ALA 103 N 1.00 1.06 -0.69 0.04 0.00 -1.03 -1.31 119.26 118.33 3kyj h ALA 103 Ca 0.12 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3kyj h ALA 103 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3kyj h ALA 103 CO -0.01 0.67 0.13 0.52 0.00 0.00 0.00 179.25 180.55 3kyj h MET 104 N 1.15 1.13 -0.29 0.00 2.86 -0.80 -1.69 114.93 117.29 3kyj h MET 104 Ca 0.26 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3kyj h MET 104 Cb 0.22 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3kyj h MET 104 CO -0.02 1.02 0.15 1.25 1.06 0.00 0.00 176.91 180.37 3kyj h LEU 105 N 1.06 0.37 -0.64 1.22 5.85 -0.44 -0.41 115.31 122.32 3kyj h LEU 105 Ca 0.21 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 3kyj h LEU 105 Cb 0.43 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3kyj h LEU 105 CO 0.01 0.37 -0.52 1.05 -0.34 0.00 0.00 178.44 179.02 3kyj h GLU 106 N 0.34 0.43 -0.05 1.25 4.11 -1.03 -1.69 114.58 117.95 3kyj h GLU 106 Ca 0.10 -0.25 -0.03 0.00 0.07 0.00 0.00 59.36 59.24 3kyj h GLU 106 Cb 0.09 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3kyj h GLU 106 CO -0.01 0.84 -0.09 1.49 0.07 0.00 0.00 179.01 181.31 3kyj h GLU 107 N 0.34 0.15 -0.07 1.06 4.81 -1.22 -3.22 114.58 116.43 3kyj h GLU 107 Ca 0.01 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 3kyj h GLU 107 Cb 1.02 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3kyj h GLU 107 CO 0.09 0.67 -0.46 1.79 -0.73 0.00 0.00 179.01 180.37 3kyj h THR 108 N -0.35 1.33 0.00 0.32 1.35 -1.04 -0.75 112.91 113.77 3kyj h THR 108 Ca 0.00 -1.64 -0.04 0.00 -0.55 0.00 0.00 66.41 64.18 3kyj h THR 108 Cb 0.66 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 3kyj h THR 108 CO 0.02 0.48 -0.21 0.00 -0.25 0.00 0.00 175.52 175.56 3kyj h ALA 109 N 1.38 1.46 0.04 6.62 0.00 -1.39 0.23 119.26 127.60 3kyj h ALA 109 Ca 0.01 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 54.38 3kyj h ALA 109 Cb 0.88 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3kyj h ALA 109 CO 0.07 0.27 -2.05 0.00 0.00 0.00 0.00 179.25 177.53 3kyj n ALA 110 N -2.41 1.31 0.54 0.00 0.00 -0.80 -3.94 120.51 115.22 3kyj n ALA 110 Ca -0.02 -0.88 0.13 0.00 0.00 0.00 0.00 53.44 52.66 3kyj n ALA 110 Cb 0.29 -0.55 0.31 0.00 0.00 0.00 0.00 19.45 19.50 3kyj n ALA 110 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kyj h SER 111 N 0.02 0.00 -6.59 0.00 4.64 -1.07 -3.47 113.55 107.08 3kyj h SER 111 Ca -0.42 -0.04 -0.53 0.00 -0.47 0.00 0.00 61.79 60.33 3kyj h SER 111 Cb 2.05 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.97 3kyj h SER 111 CO 0.05 0.02 -0.80 0.54 -0.87 0.00 0.00 176.83 175.77 3kyj n ARG 112 N -2.36 -3.73 -3.89 4.77 1.74 0.81 -4.95 116.66 109.05 3kyj n ARG 112 Ca 0.05 0.43 -0.09 0.00 -0.77 0.00 0.00 57.85 57.46 3kyj n ARG 112 Cb 0.45 -5.20 -0.05 0.00 -1.02 0.00 0.00 32.46 26.63 3kyj n ARG 112 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kyj s ALA 113 N -3.26 -0.41 0.80 7.54 0.00 -1.19 -5.07 121.76 120.17 3kyj s ALA 113 Ca 0.72 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 3kyj s ALA 113 Cb -0.38 0.91 0.08 0.00 0.00 0.00 0.00 23.12 23.72 3kyj s ALA 113 CO 0.88 -0.76 1.10 0.34 0.00 0.00 0.00 175.76 177.32 3kyj s ASP 114 N -2.95 4.20 0.42 0.00 2.15 -1.26 -4.50 116.67 114.74 3kyj s ASP 114 Ca 0.16 1.82 -0.04 0.00 0.43 0.00 0.00 52.55 54.91 3kyj s ASP 114 Cb 0.01 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 3kyj s ASP 114 CO 0.01 -2.23 0.69 0.68 -0.17 0.00 0.00 175.17 174.16 3kyj s VAL 115 N -2.88 4.97 0.05 1.11 -7.23 -1.26 -4.98 120.40 110.18 3kyj s VAL 115 Ca 0.62 -0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.49 3kyj s VAL 115 Cb -0.18 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 32.86 3kyj s VAL 115 CO 0.56 -0.71 1.08 -1.61 -0.31 0.00 0.00 175.10 174.11 3kyj s GLU 116 N -4.49 4.53 0.24 4.82 0.41 -1.26 -4.82 118.70 118.13 3kyj s GLU 116 Ca 0.45 1.59 0.24 0.00 -0.41 0.00 0.00 54.97 56.84 3kyj s GLU 116 Cb -0.10 -3.39 0.95 0.00 -1.78 0.00 0.00 34.13 29.81 3kyj s GLU 116 CO 0.40 -0.09 1.72 0.41 -0.49 0.00 0.00 175.26 177.21 3kyj n GLY 117 N 2.87 -1.35 0.23 -1.39 0.00 -1.26 -4.09 105.19 100.20 3kyj n GLY 117 Ca 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 3kyj n GLY 117 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kyj h THR 118 N 0.00 0.69 0.00 2.61 2.02 -2.02 -1.99 112.91 114.22 3kyj h THR 118 Ca 0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3kyj h THR 118 Cb 0.43 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3kyj h THR 118 CO 0.00 0.05 -0.05 1.23 0.37 0.00 0.00 175.52 177.12 3kyj h GLY 119 N 0.29 0.00 -1.41 2.16 0.00 -2.02 -2.80 103.07 99.29 3kyj h GLY 119 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3kyj h GLY 119 CO -0.36 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.04 3kyj n SER 120 N -3.44 3.15 -0.04 0.19 3.41 -0.77 -4.54 113.62 111.58 3kyj n SER 120 Ca -0.02 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 3kyj n SER 120 Cb 0.18 -0.29 0.30 0.00 -0.26 0.00 0.00 64.21 64.14 3kyj n SER 120 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kyj h GLU 121 N 2.11 0.61 -0.56 4.33 5.08 -1.30 -1.93 114.58 122.92 3kyj h GLU 121 Ca 0.00 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3kyj h GLU 121 Cb 0.86 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3kyj h GLU 121 CO 0.04 0.55 0.20 0.00 -1.00 0.00 0.00 179.01 178.80 3kyj h ALA 122 N 1.53 0.72 -0.67 3.43 0.00 -1.81 -1.04 119.26 121.41 3kyj h ALA 122 Ca 0.14 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kyj h ALA 122 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3kyj h ALA 122 CO -0.00 0.36 0.45 1.25 0.00 0.00 0.00 179.25 181.30 3kyj h LEU 123 N 0.77 0.77 -0.49 0.00 5.85 -1.77 -1.28 115.31 119.16 3kyj h LEU 123 Ca 0.18 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3kyj h LEU 123 Cb 0.23 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3kyj h LEU 123 CO -0.01 0.56 0.28 0.24 -0.34 0.00 0.00 178.44 179.17 3kyj h MET 124 N 0.91 0.67 -0.97 1.25 2.86 -0.88 -0.38 114.93 118.40 3kyj h MET 124 Ca 0.25 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.85 3kyj h MET 124 Cb -0.11 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.36 3kyj h MET 124 CO -0.05 0.51 0.63 -0.44 1.06 0.00 0.00 176.91 178.62 3kyj h ASP 125 N 0.64 1.05 -0.38 1.22 3.32 -0.72 -0.56 116.42 121.00 3kyj h ASP 125 Ca 0.17 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 3kyj h ASP 125 Cb 0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3kyj h ASP 125 CO -0.03 0.72 -0.07 1.56 -1.72 0.00 0.00 179.24 179.70 3kyj h GLN 126 N 1.22 0.71 -0.41 3.56 4.20 -0.63 -0.37 115.11 123.40 3kyj h GLN 126 Ca 0.39 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3kyj h GLN 126 Cb 0.01 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3kyj h GLN 126 CO -0.13 0.85 0.21 -0.07 -0.67 0.00 0.00 178.83 179.02 3kyj h LEU 127 N 0.52 0.52 -0.89 1.46 3.38 -0.85 -1.25 115.31 118.20 3kyj h LEU 127 Ca 0.10 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3kyj h LEU 127 Cb 0.58 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3kyj h LEU 127 CO 0.03 0.48 0.08 0.03 0.09 0.00 0.00 178.44 179.15 3kyj h ARG 128 N 0.52 0.90 -0.00 1.13 3.08 -0.85 -0.09 114.38 119.07 3kyj h ARG 128 Ca 0.14 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3kyj h ARG 128 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3kyj h ARG 128 CO -0.02 0.85 0.00 1.03 -1.07 0.00 0.00 179.97 180.76 3kyj h SER 129 N 0.85 0.00 -0.55 7.04 0.87 -0.88 -1.41 113.55 119.47 3kyj h SER 129 Ca 0.17 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 3kyj h SER 129 Cb 0.39 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3kyj h SER 129 CO 0.01 0.22 0.23 0.50 -0.53 0.00 0.00 176.83 177.25 3kyj h LYS 130 N -0.22 0.81 -0.50 2.24 1.63 -1.02 -0.50 116.57 119.02 3kyj h LYS 130 Ca 0.00 -0.14 0.06 0.00 -0.85 0.00 0.00 60.65 59.71 3kyj h LYS 130 Cb 0.22 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.66 3kyj h LYS 130 CO -0.00 0.70 0.22 0.82 -3.45 0.00 0.00 179.45 177.74 3kyj h ILE 131 N 0.74 0.90 -0.52 2.00 2.04 -0.95 -1.04 117.51 120.67 3kyj h ILE 131 Ca 0.18 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 3kyj h ILE 131 Cb 0.19 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3kyj h ILE 131 CO -0.02 0.08 0.08 0.00 0.00 0.00 0.00 178.15 178.30 3kyj h ALA 132 N 1.30 0.69 -0.06 1.87 0.00 -0.96 -2.13 119.26 119.97 3kyj h ALA 132 Ca 0.23 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3kyj h ALA 132 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kyj h ALA 132 CO -0.20 0.43 -0.70 0.00 0.00 0.00 0.00 179.25 178.78 3kyj h ARG 133 N 0.74 0.31 -0.02 0.00 3.08 -0.70 -1.90 114.38 115.89 3kyj h ARG 133 Ca 0.16 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3kyj h ARG 133 Cb 0.40 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3kyj h ARG 133 CO 0.01 0.89 -0.15 0.00 -1.07 0.00 0.00 179.97 179.65 3kyj n SER 135 N 0.55 2.41 0.00 0.00 7.64 -0.80 -4.93 113.62 118.49 3kyj n SER 135 Ca 0.14 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.67 3kyj n SER 135 Cb 0.49 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3kyj n SER 135 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57