#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx8 s VAL 7 N 0.00 2.21 0.00 8.89 1.01 -1.26 -1.66 120.40 129.58 3kx8 s VAL 7 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3kx8 s VAL 7 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3kx8 s VAL 7 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 3kx8 n GLY 8 N 3.92 1.18 3.68 4.51 0.00 0.11 -5.01 105.19 113.58 3kx8 n GLY 8 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 3kx8 n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kx8 n GLU 9 N -1.90 2.51 -4.17 1.61 2.13 -0.67 -4.71 120.64 115.44 3kx8 n GLU 9 Ca 0.00 0.91 -0.30 0.00 0.66 0.00 0.00 57.16 58.43 3kx8 n GLU 9 Cb 0.00 -2.77 -0.09 0.00 0.27 0.00 0.00 31.44 28.85 3kx8 n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3kx8 s ARG 10 N 2.80 2.39 0.02 5.31 0.52 -1.26 -0.88 118.95 127.86 3kx8 s ARG 10 Ca 0.84 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 3kx8 s ARG 10 Cb -0.57 -2.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 3kx8 s ARG 10 CO 0.41 0.53 -0.04 0.12 0.02 0.00 0.00 175.30 176.34 3kx8 s PHE 11 N -1.27 0.39 -0.04 -0.53 5.36 0.43 -4.98 117.98 117.33 3kx8 s PHE 11 Ca 0.24 -0.45 0.01 0.00 -0.96 0.00 0.00 56.93 55.76 3kx8 s PHE 11 Cb -0.11 -0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.34 3kx8 s PHE 11 CO 0.16 -0.13 -0.03 0.99 -1.46 0.00 0.00 175.22 174.75 3kx8 s THR 12 N -1.25 0.44 0.02 0.12 2.01 -1.26 -0.61 115.64 115.10 3kx8 s THR 12 Ca -0.12 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.83 3kx8 s THR 12 Cb -0.09 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.92 3kx8 s THR 12 CO -0.00 0.21 -0.03 -1.38 -0.69 0.00 0.00 174.62 172.72 3kx8 s HIS 13 N 0.98 0.26 0.06 4.92 -3.43 -0.64 -5.01 115.29 112.43 3kx8 s HIS 13 Ca -0.10 -0.40 0.04 0.00 -0.80 0.00 0.00 55.06 53.80 3kx8 s HIS 13 Cb -0.14 -0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 30.79 3kx8 s HIS 13 CO -0.01 -0.13 -0.03 -0.51 -2.00 0.00 0.00 174.74 172.07 3kx8 s ASP 14 N -1.12 4.87 -0.23 7.38 1.01 -1.26 -1.49 116.67 125.83 3kx8 s ASP 14 Ca -0.11 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 52.94 3kx8 s ASP 14 Cb -0.08 -1.15 0.12 0.00 1.01 0.00 0.00 42.92 42.83 3kx8 s ASP 14 CO -0.01 0.21 0.39 0.12 0.21 0.00 0.00 175.17 176.10 3kx8 s PHE 15 N -1.20 -0.82 -0.13 4.23 5.36 0.19 -4.96 117.98 120.64 3kx8 s PHE 15 Ca 0.22 1.02 -0.29 0.00 -0.96 0.00 0.00 56.93 56.92 3kx8 s PHE 15 Cb -0.11 0.10 -0.03 0.00 -0.34 0.00 0.00 43.02 42.64 3kx8 s PHE 15 CO 0.14 -0.65 1.38 0.08 -1.46 0.00 0.00 175.22 174.71 3kx8 s VAL 16 N 2.57 4.07 -0.19 3.12 1.01 -1.26 0.36 120.40 130.07 3kx8 s VAL 16 Ca 0.09 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 3kx8 s VAL 16 Cb -0.15 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3kx8 s VAL 16 CO -0.15 -0.11 1.74 -0.69 0.00 0.00 0.00 175.10 175.89 3kx8 s VAL 17 N 3.62 3.53 0.57 2.92 1.01 0.66 -4.89 120.40 127.81 3kx8 s VAL 17 Ca 0.60 0.59 -0.07 0.00 0.00 0.00 0.00 61.98 63.11 3kx8 s VAL 17 Cb -0.25 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3kx8 s VAL 17 CO 0.19 -0.23 0.89 -2.16 0.00 0.00 0.00 175.10 173.80 3kx8 s PRO 18 N 4.89 3.17 0.54 2.72 0.04 -1.26 -0.36 135.00 144.74 3kx8 s PRO 18 Ca 0.77 0.16 0.23 0.00 0.04 0.00 0.00 61.00 62.21 3kx8 s PRO 18 Cb -0.28 -2.27 1.41 0.00 0.04 0.00 0.00 34.50 33.41 3kx8 s PRO 18 CO 0.31 -0.56 2.06 -1.35 0.04 0.00 0.00 177.00 177.50 3kx8 h PRO 19 N -0.10 0.00 -0.54 0.56 0.11 -1.95 -2.53 132.00 127.55 3kx8 h PRO 19 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kx8 h PRO 19 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kx8 h PRO 19 CO 0.61 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.01 3kx8 n HIS 20 N -4.31 0.39 -1.66 0.65 1.44 -1.26 -3.26 115.22 107.21 3kx8 n HIS 20 Ca 0.05 -0.15 -0.11 0.00 -2.01 0.00 0.00 57.72 55.50 3kx8 n HIS 20 Cb 0.42 -0.10 0.14 0.00 0.12 0.00 0.00 29.99 30.56 3kx8 n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kx8 n LYS 21 N 0.10 2.39 -2.52 -1.40 4.76 -0.95 -4.79 118.16 115.75 3kx8 n LYS 21 Ca 0.07 -3.54 -0.22 0.00 -2.87 0.00 0.00 58.31 51.75 3kx8 n LYS 21 Cb 0.32 -1.95 0.05 0.00 -1.84 0.00 0.00 35.03 31.61 3kx8 n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kx8 s THR 22 N -3.80 2.56 0.25 -0.18 -4.23 -1.20 -2.26 115.64 106.78 3kx8 s THR 22 Ca 0.47 -0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 60.37 3kx8 s THR 22 Cb 0.41 -3.00 0.26 0.00 1.34 0.00 0.00 72.50 71.51 3kx8 s THR 22 CO -0.01 0.00 1.66 0.58 -0.54 0.00 0.00 174.62 176.31 3kx8 h VAL 23 N -0.11 0.43 0.00 2.29 2.07 -1.76 -1.12 116.25 118.05 3kx8 h VAL 23 Ca -0.43 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3kx8 h VAL 23 Cb 1.30 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3kx8 h VAL 23 CO 0.54 0.04 0.00 0.08 0.02 0.00 0.00 177.57 178.25 3kx8 h ARG 24 N 0.20 0.00 0.00 1.57 0.11 -1.89 -2.30 114.38 112.07 3kx8 h ARG 24 Ca 0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.51 3kx8 h ARG 24 Cb 0.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.85 3kx8 h ARG 24 CO -0.58 0.00 -0.54 0.45 0.10 0.00 0.00 179.97 179.40 3kx8 h HIS 25 N 0.00 0.00 -0.16 4.08 3.86 -1.51 -2.75 115.15 118.66 3kx8 h HIS 25 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3kx8 h HIS 25 Cb 0.54 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 3kx8 h HIS 25 CO 0.00 0.00 -0.24 1.25 0.86 0.00 0.00 177.93 179.80 3kx8 h LEU 26 N 0.00 0.49 -6.85 2.43 5.85 -1.20 -3.37 115.31 112.65 3kx8 h LEU 26 Ca 0.00 -0.52 -0.61 0.00 0.84 0.00 0.00 57.88 57.59 3kx8 h LEU 26 Cb 0.85 -0.14 -0.40 0.00 0.37 0.00 0.00 40.66 41.34 3kx8 h LEU 26 CO 0.00 0.91 -0.75 -0.31 -0.34 0.00 0.00 178.44 177.95 3kx8 s TYR 27 N -4.14 2.19 0.53 1.25 2.02 -1.22 -4.94 117.35 113.03 3kx8 s TYR 27 Ca -0.14 -2.65 0.20 0.00 -0.37 0.00 0.00 57.07 54.11 3kx8 s TYR 27 Cb 0.06 -1.86 1.36 0.00 -0.40 0.00 0.00 41.96 41.12 3kx8 s TYR 27 CO 0.78 -0.73 2.12 -1.35 -1.57 0.00 0.00 175.55 174.81 3kx8 h PRO 28 N 6.08 0.00 0.00 -1.71 0.11 -1.66 -2.06 132.00 132.75 3kx8 h PRO 28 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3kx8 h PRO 28 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3kx8 h PRO 28 CO 0.52 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.46 3kx8 n GLU 29 N -4.41 0.70 -3.64 1.05 0.00 -1.26 -4.69 120.64 108.39 3kx8 n GLU 29 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 3kx8 n GLU 29 Cb 0.21 -1.36 -0.11 0.00 0.00 0.00 0.00 31.44 30.18 3kx8 n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kx8 s SER 30 N -1.80 5.62 0.37 -1.84 0.15 -0.78 -4.94 113.70 110.48 3kx8 s SER 30 Ca 0.24 -1.06 0.09 0.00 0.70 0.00 0.00 55.95 55.92 3kx8 s SER 30 Cb 0.11 -1.98 0.73 0.00 -1.71 0.00 0.00 66.02 63.17 3kx8 s SER 30 CO 0.18 -0.38 1.88 -0.65 1.20 0.00 0.00 173.24 175.48 3kx8 h PRO 31 N 8.38 0.25 0.00 5.44 0.11 -1.87 -2.69 132.00 141.61 3kx8 h PRO 31 Ca -0.25 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 3kx8 h PRO 31 Cb 1.10 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3kx8 h PRO 31 CO 0.65 0.42 -0.25 0.93 -0.21 0.00 0.00 178.00 179.54 3kx8 h GLU 32 N 0.24 0.00 0.00 1.05 3.07 -1.96 -2.68 114.58 114.30 3kx8 h GLU 32 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3kx8 h GLU 32 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3kx8 h GLU 32 CO 0.03 0.25 -0.77 1.19 -1.40 0.00 0.00 179.01 178.30 3kx8 n PHE 33 N -4.21 0.32 -0.10 4.33 3.72 -1.11 -4.65 117.46 115.76 3kx8 n PHE 33 Ca -0.02 0.09 0.14 0.00 -0.05 0.00 0.00 57.45 57.61 3kx8 n PHE 33 Cb 0.31 -0.48 0.53 0.00 -0.94 0.00 0.00 39.48 38.89 3kx8 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kx8 h ALA 34 N 2.62 2.11 -0.19 4.37 0.00 -1.15 -1.46 119.26 125.57 3kx8 h ALA 34 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3kx8 h ALA 34 Cb 0.69 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3kx8 h ALA 34 CO 0.00 -0.27 -0.20 -0.85 0.00 0.00 0.00 179.25 177.93 3kx8 n GLU 35 N -4.46 1.80 -1.93 0.00 0.28 -1.26 -4.94 120.64 110.13 3kx8 n GLU 35 Ca 0.11 -3.13 -0.35 0.00 -0.16 0.00 0.00 57.16 53.63 3kx8 n GLU 35 Cb 0.46 -1.72 0.04 0.00 1.43 0.00 0.00 31.44 31.64 3kx8 n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3kx8 s PHE 36 N -3.17 2.40 0.64 -1.84 0.40 -0.55 -5.00 117.98 110.85 3kx8 s PHE 36 Ca 0.41 1.53 -0.18 0.00 -0.60 0.00 0.00 56.93 58.09 3kx8 s PHE 36 Cb 0.38 -3.43 -0.02 0.00 0.51 0.00 0.00 43.02 40.45 3kx8 s PHE 36 CO -0.01 -2.15 1.13 -0.35 0.70 0.00 0.00 175.22 174.54 3kx8 n PRO 37 N -1.81 0.97 -2.10 0.24 -0.04 -1.26 -4.87 135.00 126.14 3kx8 n PRO 37 Ca 0.13 0.38 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 3kx8 n PRO 37 Cb 0.50 -2.36 -0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3kx8 n PRO 37 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kx8 n GLU 38 N -1.54 3.00 -4.29 0.54 -0.58 -1.26 -4.58 120.64 111.92 3kx8 n GLU 38 Ca 0.15 -2.89 -0.22 0.00 -0.42 0.00 0.00 57.16 53.78 3kx8 n GLU 38 Cb 0.48 -3.38 -0.13 0.00 -0.57 0.00 0.00 31.44 27.84 3kx8 n GLU 38 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3kx8 s VAL 39 N 3.67 1.44 -0.33 2.62 -7.23 -1.26 -4.30 120.40 115.00 3kx8 s VAL 39 Ca 0.50 -1.37 -0.41 0.00 -1.81 0.00 0.00 61.98 58.89 3kx8 s VAL 39 Cb 0.10 -1.32 -0.16 0.00 0.56 0.00 0.00 36.38 35.55 3kx8 s VAL 39 CO -0.02 -0.08 1.76 0.33 -0.31 0.00 0.00 175.10 176.78 3kx8 n PHE 40 N 1.32 1.95 -2.40 2.82 7.35 0.79 -2.77 117.46 126.53 3kx8 n PHE 40 Ca -0.20 0.64 -0.38 0.00 -0.76 0.00 0.00 57.45 56.75 3kx8 n PHE 40 Cb 0.54 -2.42 -0.03 0.00 0.35 0.00 0.00 39.48 37.92 3kx8 n PHE 40 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kx8 s ALA 41 N 3.75 3.19 0.23 3.13 0.00 -0.96 -4.75 121.76 126.36 3kx8 s ALA 41 Ca 1.01 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 53.79 3kx8 s ALA 41 Cb -1.16 -3.34 0.38 0.00 0.00 0.00 0.00 23.12 19.00 3kx8 s ALA 41 CO 0.68 -0.36 1.75 1.15 0.00 0.00 0.00 175.76 178.97 3kx8 h THR 42 N 2.45 0.74 -0.46 0.00 2.02 -1.93 -1.50 112.91 114.23 3kx8 h THR 42 Ca -0.48 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 3kx8 h THR 42 Cb 1.22 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3kx8 h THR 42 CO 0.63 0.09 0.26 1.23 0.37 0.00 0.00 175.52 178.10 3kx8 h GLY 43 N 0.48 0.67 -1.85 2.16 0.00 -1.99 0.91 103.07 103.45 3kx8 h GLY 43 Ca 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3kx8 h GLY 43 CO -0.34 0.27 0.00 0.69 0.00 0.00 0.00 176.54 177.16 3kx8 n PHE 44 N -4.42 0.00 0.00 5.60 3.72 -0.56 -2.33 117.46 119.46 3kx8 n PHE 44 Ca 0.04 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 3kx8 n PHE 44 Cb 0.09 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 3kx8 n PHE 44 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3kx8 n VAL 46 N 0.62 0.00 -0.19 -4.37 0.31 0.31 -1.34 118.33 113.67 3kx8 n VAL 46 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 3kx8 n VAL 46 Cb 0.28 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.38 3kx8 n VAL 46 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kx8 h GLY 47 N 0.00 1.03 -1.34 2.92 0.00 -1.72 0.19 103.07 104.15 3kx8 h GLY 47 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3kx8 h GLY 47 CO 0.00 0.52 0.00 -0.10 0.00 0.00 0.00 176.54 176.96 3kx8 n LEU 48 N -4.30 0.31 0.00 3.11 0.00 -0.45 -1.18 117.00 114.49 3kx8 n LEU 48 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 56.01 55.91 3kx8 n LEU 48 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 43.42 43.51 3kx8 n LEU 48 CO 0.40 0.06 0.00 -0.62 0.00 0.00 0.00 177.39 177.23 3kx8 n GLU 50 N 0.58 0.00 -0.23 1.96 1.02 0.68 -2.06 120.64 122.59 3kx8 n GLU 50 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 3kx8 n GLU 50 Cb 0.06 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.51 3kx8 n GLU 50 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3kx8 h TRP 51 N 0.00 1.10 -0.81 -0.32 7.01 -1.40 0.47 115.95 122.00 3kx8 h TRP 51 Ca 0.00 -0.14 0.03 0.00 2.11 0.00 0.00 58.89 60.89 3kx8 h TRP 51 Cb 0.00 -0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 26.71 3kx8 h TRP 51 CO 0.00 0.92 0.52 0.00 -2.79 0.00 0.00 178.44 177.09 3kx8 h ALA 52 N 1.05 1.06 -0.31 2.65 0.00 -1.69 -1.53 119.26 120.50 3kx8 h ALA 52 Ca 0.20 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 3kx8 h ALA 52 Cb 0.39 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kx8 h ALA 52 CO 0.01 0.35 -0.47 0.00 0.00 0.00 0.00 179.25 179.14 3kx8 h VAL 54 N 0.66 1.24 -0.49 0.00 2.07 -0.76 -3.06 116.25 115.91 3kx8 h VAL 54 Ca 0.04 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 3kx8 h VAL 54 Cb 1.05 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3kx8 h VAL 54 CO 0.10 0.30 -0.06 0.03 0.02 0.00 0.00 177.57 177.96 3kx8 h ARG 55 N 0.94 0.90 -0.73 1.57 3.08 -1.22 -2.71 114.38 116.22 3kx8 h ARG 55 Ca 0.22 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3kx8 h ARG 55 Cb 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3kx8 h ARG 55 CO -0.02 0.97 0.00 0.00 -1.07 0.00 0.00 179.97 179.85 3kx8 n ALA 56 N -2.46 1.43 0.00 0.04 0.00 -0.78 -4.51 120.51 114.23 3kx8 n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kx8 n ALA 56 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3kx8 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kx8 n ALA 58 N 0.57 0.00 0.79 0.00 0.00 -1.02 -4.77 120.51 116.07 3kx8 n ALA 58 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3kx8 n ALA 58 Cb 0.07 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.95 3kx8 n ALA 58 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kx8 n PRO 59 N 0.00 0.18 0.00 0.00 -0.02 -1.26 -2.94 135.00 130.96 3kx8 n PRO 59 Ca 0.00 0.14 0.09 0.00 -2.02 0.00 0.00 63.50 61.71 3kx8 n PRO 59 Cb 0.00 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.02 3kx8 n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kx8 n TYR 60 N -1.35 0.00 -3.33 6.00 4.01 -1.26 -4.97 117.16 116.26 3kx8 n TYR 60 Ca 0.07 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.44 3kx8 n TYR 60 Cb 0.16 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 3kx8 n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kx8 s LEU 61 N -1.76 4.46 0.61 7.72 1.43 -1.15 -5.08 118.68 124.91 3kx8 s LEU 61 Ca 0.18 1.16 -0.14 0.00 -1.03 0.00 0.00 54.13 54.31 3kx8 s LEU 61 Cb 0.14 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 3kx8 s LEU 61 CO 0.31 0.22 1.04 -1.61 0.23 0.00 0.00 176.35 176.55 3kx8 s GLU 62 N -1.39 3.37 0.40 1.70 0.41 -1.26 -4.96 118.70 116.96 3kx8 s GLU 62 Ca 0.31 1.01 -0.27 0.00 -0.41 0.00 0.00 54.97 55.61 3kx8 s GLU 62 Cb -0.18 -2.05 -0.10 0.00 -1.78 0.00 0.00 34.13 30.02 3kx8 s GLU 62 CO 0.18 -0.75 1.35 -2.30 -0.49 0.00 0.00 175.26 173.25 3kx8 n PRO 63 N -2.39 2.19 -0.12 0.39 -0.02 -1.26 -1.60 135.00 132.19 3kx8 n PRO 63 Ca 0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3kx8 n PRO 63 Cb 0.53 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3kx8 n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kx8 n GLY 64 N 0.69 1.89 3.90 -1.23 0.00 -1.26 -5.04 105.19 104.13 3kx8 n GLY 64 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3kx8 n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kx8 s GLU 65 N -0.30 3.54 0.00 1.61 2.02 -0.62 -0.78 118.70 124.17 3kx8 s GLU 65 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.80 3kx8 s GLU 65 Cb 0.00 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3kx8 s GLU 65 CO 0.00 0.61 0.00 0.41 0.02 0.00 0.00 175.26 176.30 3kx8 n GLY 66 N 0.73 4.22 3.18 -1.39 0.00 0.22 -4.84 105.19 107.30 3kx8 n GLY 66 Ca -0.08 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 3kx8 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kx8 s SER 67 N -0.49 0.15 0.09 1.61 1.04 -1.26 -0.06 113.70 114.77 3kx8 s SER 67 Ca 0.00 -0.61 0.09 0.00 0.48 0.00 0.00 55.95 55.91 3kx8 s SER 67 Cb 0.00 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 3kx8 s SER 67 CO 0.00 -0.65 -0.24 -0.76 0.98 0.00 0.00 173.24 172.57 3kx8 s LEU 68 N -2.61 2.26 0.08 2.42 1.43 -0.10 -4.90 118.68 117.26 3kx8 s LEU 68 Ca 0.02 -0.66 -0.31 0.00 -1.03 0.00 0.00 54.13 52.15 3kx8 s LEU 68 Cb 0.03 -1.10 -0.06 0.00 0.03 0.00 0.00 46.19 45.09 3kx8 s LEU 68 CO -0.09 0.16 1.25 -0.83 0.23 0.00 0.00 176.35 177.07 3kx8 s GLY 69 N -1.70 2.32 -0.00 -3.19 0.00 -1.26 -1.23 107.32 102.25 3kx8 s GLY 69 Ca 0.10 0.92 0.05 0.00 0.00 0.00 0.00 44.72 45.80 3kx8 s GLY 69 CO 0.04 2.10 0.15 -1.30 0.00 0.00 0.00 173.10 174.09 3kx8 n THR 70 N 3.82 0.00 -3.57 0.90 -2.24 0.67 -4.92 114.28 108.95 3kx8 n THR 70 Ca 0.09 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 3kx8 n THR 70 Cb 0.45 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 3kx8 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kx8 s ALA 71 N -2.00 -1.82 -0.05 6.98 0.00 -1.19 -4.96 121.76 118.72 3kx8 s ALA 71 Ca -0.00 1.62 -0.02 0.00 0.00 0.00 0.00 51.96 53.56 3kx8 s ALA 71 Cb 0.03 -0.60 0.04 0.00 0.00 0.00 0.00 23.12 22.59 3kx8 s ALA 71 CO 0.21 -0.34 0.10 -1.50 0.00 0.00 0.00 175.76 174.23 3kx8 s ILE 72 N -0.59 -0.10 -0.32 0.00 1.10 -1.26 -1.84 121.20 118.18 3kx8 s ILE 72 Ca -0.05 0.26 -0.02 0.00 -0.51 0.00 0.00 60.65 60.34 3kx8 s ILE 72 Cb -0.02 -0.19 0.12 0.00 0.15 0.00 0.00 42.46 42.52 3kx8 s ILE 72 CO 0.04 0.11 0.19 0.00 -2.11 0.00 0.00 174.94 173.17 3kx8 s VAL 74 N 1.59 0.34 0.40 0.00 -7.23 -1.26 -0.58 120.40 113.67 3kx8 s VAL 74 Ca 0.14 -1.67 0.04 0.00 -1.81 0.00 0.00 61.98 58.68 3kx8 s VAL 74 Cb -0.19 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.42 3kx8 s VAL 74 CO -0.17 -0.86 0.58 0.42 -0.31 0.00 0.00 175.10 174.76 3kx8 s THR 75 N -3.34 3.73 -0.32 5.32 -4.23 -0.62 -4.94 115.64 111.24 3kx8 s THR 75 Ca 0.04 -0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.71 3kx8 s THR 75 Cb 0.04 -3.32 0.12 0.00 1.34 0.00 0.00 72.50 70.67 3kx8 s THR 75 CO -0.07 -0.16 0.17 -2.28 -0.54 0.00 0.00 174.62 171.74 3kx8 s HIS 76 N -2.37 0.56 -0.56 3.99 2.46 -1.26 -3.61 115.29 114.50 3kx8 s HIS 76 Ca 0.49 -1.26 0.18 0.00 0.47 0.00 0.00 55.06 54.94 3kx8 s HIS 76 Cb -0.10 -0.94 -0.23 0.00 -0.13 0.00 0.00 32.58 31.19 3kx8 s HIS 76 CO 0.34 -0.83 0.64 0.25 -2.47 0.00 0.00 174.74 172.67 3kx8 n THR 77 N 4.66 0.00 -3.77 0.89 -2.24 0.15 -4.95 114.28 109.02 3kx8 n THR 77 Ca 0.03 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 3kx8 n THR 77 Cb 0.40 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.23 3kx8 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kx8 s ALA 78 N -2.90 -0.60 0.05 6.98 0.00 -1.24 -4.98 121.76 119.06 3kx8 s ALA 78 Ca 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 3kx8 s ALA 78 Cb 0.13 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 3kx8 s ALA 78 CO 0.75 -0.42 0.25 0.00 0.00 0.00 0.00 175.76 176.34 3kx8 s ALA 79 N -2.69 3.91 -0.19 0.00 0.00 -1.26 -4.81 121.76 116.73 3kx8 s ALA 79 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3kx8 s ALA 79 Cb -0.00 -1.96 0.04 0.00 0.00 0.00 0.00 23.12 21.20 3kx8 s ALA 79 CO -0.04 0.73 -0.08 0.99 0.00 0.00 0.00 175.76 177.36 3kx8 s THR 80 N -1.44 1.43 0.78 0.00 2.01 -1.26 -5.01 115.64 112.15 3kx8 s THR 80 Ca 0.32 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 3kx8 s THR 80 Cb -0.13 -1.56 0.06 0.00 0.01 0.00 0.00 72.50 70.88 3kx8 s THR 80 CO 0.22 0.13 1.09 -2.16 -0.69 0.00 0.00 174.62 173.21 3kx8 s PRO 81 N 1.49 2.19 0.52 4.92 0.04 -1.26 -0.15 135.00 142.75 3kx8 s PRO 81 Ca -0.01 1.00 -0.23 0.00 0.04 0.00 0.00 61.00 61.80 3kx8 s PRO 81 Cb -0.16 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 3kx8 s PRO 81 CO -0.08 -1.64 1.39 -2.14 0.04 0.00 0.00 177.00 174.57 3kx8 s PRO 82 N -4.97 3.28 0.00 0.56 0.02 -1.26 -3.47 135.00 129.16 3kx8 s PRO 82 Ca 0.61 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.93 3kx8 s PRO 82 Cb -0.16 -2.37 0.00 0.00 0.02 0.00 0.00 34.50 31.99 3kx8 s PRO 82 CO 0.56 -1.10 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 3kx8 n GLY 83 N 0.69 2.17 3.80 0.52 0.00 0.52 -4.99 105.19 107.90 3kx8 n GLY 83 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3kx8 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kx8 s LEU 84 N 0.00 3.44 -0.19 0.99 1.43 -1.23 -4.72 118.68 118.41 3kx8 s LEU 84 Ca 0.00 1.82 -0.14 0.00 -1.03 0.00 0.00 54.13 54.77 3kx8 s LEU 84 Cb 0.00 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 3kx8 s LEU 84 CO 0.00 -1.26 0.33 -0.89 0.23 0.00 0.00 176.35 174.76 3kx8 s THR 85 N -2.51 5.26 -0.26 5.49 2.01 -1.26 -0.24 115.64 124.13 3kx8 s THR 85 Ca 0.63 0.59 -0.11 0.00 0.31 0.00 0.00 61.69 63.11 3kx8 s THR 85 Cb -0.16 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 3kx8 s THR 85 CO 0.40 0.32 0.19 -0.69 -0.69 0.00 0.00 174.62 174.14 3kx8 s VAL 86 N 0.94 5.32 -0.31 3.82 1.01 0.16 -3.81 120.40 127.53 3kx8 s VAL 86 Ca 0.17 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 3kx8 s VAL 86 Cb -0.14 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3kx8 s VAL 86 CO 0.06 0.28 0.19 -0.89 0.00 0.00 0.00 175.10 174.74 3kx8 s THR 87 N 1.52 5.01 -0.18 3.92 2.01 0.08 -0.64 115.64 127.36 3kx8 s THR 87 Ca 0.08 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 3kx8 s THR 87 Cb -0.15 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 3kx8 s THR 87 CO 0.09 0.11 0.17 -0.69 -0.69 0.00 0.00 174.62 173.60 3kx8 s VAL 88 N 1.69 5.39 -0.12 3.82 1.01 -0.56 -1.65 120.40 129.98 3kx8 s VAL 88 Ca 0.06 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 3kx8 s VAL 88 Cb -0.17 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3kx8 s VAL 88 CO 0.09 0.45 -0.09 -0.89 0.00 0.00 0.00 175.10 174.66 3kx8 s THR 89 N 0.24 3.47 -0.14 3.92 2.01 0.18 -1.62 115.64 123.70 3kx8 s THR 89 Ca 0.11 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.60 3kx8 s THR 89 Cb -0.12 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 69.94 3kx8 s THR 89 CO -0.00 0.53 -0.20 0.00 -0.69 0.00 0.00 174.62 174.26 3kx8 s ALA 90 N 0.07 2.14 -0.15 7.40 0.00 0.22 -0.87 121.76 130.56 3kx8 s ALA 90 Ca -0.03 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.91 3kx8 s ALA 90 Cb -0.14 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.01 3kx8 s ALA 90 CO 0.04 -0.09 -0.18 -2.00 0.00 0.00 0.00 175.76 173.52 3kx8 s GLU 91 N 0.94 2.68 0.09 0.00 2.12 0.12 -0.43 118.70 124.23 3kx8 s GLU 91 Ca -0.05 -0.72 -0.31 0.00 0.36 0.00 0.00 54.97 54.26 3kx8 s GLU 91 Cb -0.15 -2.32 -0.08 0.00 0.26 0.00 0.00 34.13 31.84 3kx8 s GLU 91 CO -0.04 -0.17 1.59 -1.17 -0.54 0.00 0.00 175.26 174.94 3kx8 s LEU 92 N 1.24 4.36 -0.00 2.70 2.96 -0.06 -0.22 118.68 129.66 3kx8 s LEU 92 Ca 0.02 2.48 0.06 0.00 -0.22 0.00 0.00 54.13 56.46 3kx8 s LEU 92 Cb -0.14 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 3kx8 s LEU 92 CO -0.09 -0.84 0.17 0.54 -1.32 0.00 0.00 176.35 174.80 3kx8 n ARG 93 N 5.06 2.05 -3.62 1.98 5.12 0.45 0.05 116.66 127.75 3kx8 n ARG 93 Ca 0.15 -0.03 -0.09 0.00 -1.93 0.00 0.00 57.85 55.95 3kx8 n ARG 93 Cb 0.40 -0.99 -0.06 0.00 -1.16 0.00 0.00 32.46 30.65 3kx8 n ARG 93 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3kx8 s SER 94 N -2.23 -0.36 -0.25 0.55 0.15 -1.16 -4.91 113.70 105.49 3kx8 s SER 94 Ca -0.01 0.61 -0.03 0.00 0.70 0.00 0.00 55.95 57.22 3kx8 s SER 94 Cb 0.04 0.58 0.08 0.00 -1.71 0.00 0.00 66.02 65.02 3kx8 s SER 94 CO 0.23 -0.18 0.10 -0.69 1.20 0.00 0.00 173.24 173.89 3kx8 s VAL 95 N -0.23 0.25 -0.89 4.45 1.01 -1.26 -1.27 120.40 122.47 3kx8 s VAL 95 Ca 0.03 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3kx8 s VAL 95 Cb -0.04 -1.06 0.32 0.00 0.00 0.00 0.00 36.38 35.61 3kx8 s VAL 95 CO -0.05 -0.52 1.47 -1.84 0.00 0.00 0.00 175.10 174.15 3kx8 n GLU 96 N 5.13 4.52 0.00 2.72 0.28 0.77 -4.97 120.64 129.09 3kx8 n GLU 96 Ca -0.06 -4.71 0.00 0.00 -0.16 0.00 0.00 57.16 52.23 3kx8 n GLU 96 Cb 0.44 -2.40 0.00 0.00 1.43 0.00 0.00 31.44 30.92 3kx8 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kx8 n GLY 97 N 0.14 1.99 0.04 -1.84 0.00 -1.26 -3.30 105.19 100.96 3kx8 n GLY 97 Ca 0.39 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3kx8 n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kx8 n ARG 98 N 0.00 0.25 -3.90 1.61 3.00 -1.26 -4.90 116.66 111.45 3kx8 n ARG 98 Ca 0.00 0.04 -0.35 0.00 -0.01 0.00 0.00 57.85 57.52 3kx8 n ARG 98 Cb 0.00 -1.62 -0.11 0.00 0.00 0.00 0.00 32.46 30.73 3kx8 n ARG 98 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3kx8 s ARG 99 N -3.15 3.84 -0.06 5.56 1.04 -1.21 -1.14 118.95 123.83 3kx8 s ARG 99 Ca 0.06 -0.40 0.04 0.00 -1.04 0.00 0.00 55.73 54.39 3kx8 s ARG 99 Cb 0.14 -3.28 -0.02 0.00 -2.04 0.00 0.00 34.95 29.75 3kx8 s ARG 99 CO 0.75 0.06 -0.18 -0.51 -0.04 0.00 0.00 175.30 175.38 3kx8 s LEU 100 N 0.95 2.49 -0.14 -1.89 1.02 0.40 -0.16 118.68 121.33 3kx8 s LEU 100 Ca 0.04 -0.32 0.02 0.00 0.02 0.00 0.00 54.13 53.88 3kx8 s LEU 100 Cb -0.14 -1.49 0.01 0.00 0.02 0.00 0.00 46.19 44.60 3kx8 s LEU 100 CO 0.03 0.29 -0.19 -0.55 0.02 0.00 0.00 176.35 175.95 3kx8 s SER 101 N -0.43 2.94 -0.08 2.29 0.15 -0.39 -1.30 113.70 116.87 3kx8 s SER 101 Ca 0.05 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.15 3kx8 s SER 101 Cb -0.12 -1.35 -0.02 0.00 -1.71 0.00 0.00 66.02 62.81 3kx8 s SER 101 CO 0.02 0.03 -0.12 0.26 1.20 0.00 0.00 173.24 174.63 3kx8 s TRP 102 N 1.04 2.79 -0.16 3.44 0.52 0.89 -0.41 118.94 127.05 3kx8 s TRP 102 Ca -0.03 -0.27 -0.26 0.00 0.02 0.00 0.00 56.10 55.57 3kx8 s TRP 102 Cb -0.14 -1.72 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 3kx8 s TRP 102 CO -0.06 0.09 0.87 0.50 0.02 0.00 0.00 176.95 178.38 3kx8 s ARG 103 N -0.39 4.32 0.06 4.98 3.52 0.69 -0.95 118.95 131.18 3kx8 s ARG 103 Ca 0.05 1.10 0.07 0.00 -0.13 0.00 0.00 55.73 56.82 3kx8 s ARG 103 Cb -0.12 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 3kx8 s ARG 103 CO 0.02 -0.34 -0.17 0.14 -0.81 0.00 0.00 175.30 174.14 3kx8 s VAL 104 N 2.19 2.89 -0.07 7.11 -7.23 -0.34 0.14 120.40 125.10 3kx8 s VAL 104 Ca 0.40 -1.23 -0.15 0.00 -1.81 0.00 0.00 61.98 59.20 3kx8 s VAL 104 Cb -0.17 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.55 3kx8 s VAL 104 CO 0.13 0.28 0.36 -0.55 -0.31 0.00 0.00 175.10 175.00 3kx8 s SER 105 N -1.63 -0.30 -0.02 4.85 0.15 -0.05 -1.25 113.70 115.46 3kx8 s SER 105 Ca 0.16 0.40 -0.04 0.00 0.70 0.00 0.00 55.95 57.16 3kx8 s SER 105 Cb -0.11 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 3kx8 s SER 105 CO 0.07 -0.33 0.10 0.00 1.20 0.00 0.00 173.24 174.28 3kx8 s ALA 106 N -0.69 -0.24 0.01 5.45 0.00 -0.26 -0.65 121.76 125.38 3kx8 s ALA 106 Ca -0.08 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.91 3kx8 s ALA 106 Cb -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3kx8 s ALA 106 CO 0.03 -0.12 -0.01 -1.58 0.00 0.00 0.00 175.76 174.08 3kx8 s HIS 107 N -0.65 0.10 -0.22 0.00 2.46 -0.66 -0.54 115.29 115.77 3kx8 s HIS 107 Ca -0.07 -0.19 0.15 0.00 0.47 0.00 0.00 55.06 55.41 3kx8 s HIS 107 Cb -0.04 -0.07 0.64 0.00 -0.13 0.00 0.00 32.58 32.98 3kx8 s HIS 107 CO 0.00 -0.07 1.57 -0.40 -2.47 0.00 0.00 174.74 173.38 3kx8 n ASP 108 N 2.52 4.46 0.00 9.88 5.68 0.37 -0.74 116.55 138.73 3kx8 n ASP 108 Ca -0.16 -3.08 0.00 0.00 -0.50 0.00 0.00 54.79 51.05 3kx8 n ASP 108 Cb 0.58 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 3kx8 n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kx8 n GLY 109 N -0.18 2.99 0.47 6.12 0.00 -1.25 -4.17 105.19 109.17 3kx8 n GLY 109 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 3kx8 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kx8 n VAL 110 N -2.00 0.56 -4.16 1.61 0.31 -1.26 -5.08 118.33 108.32 3kx8 n VAL 110 Ca 0.00 -0.17 -0.17 0.00 -0.01 0.00 0.00 64.34 64.00 3kx8 n VAL 110 Cb 0.00 -1.38 -0.12 0.00 -0.91 0.00 0.00 33.84 31.43 3kx8 n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kx8 s ASP 111 N -5.61 1.51 0.24 4.52 1.01 -1.26 -5.12 116.67 111.97 3kx8 s ASP 111 Ca -0.14 -0.65 -0.30 0.00 0.71 0.00 0.00 52.55 52.16 3kx8 s ASP 111 Cb 0.05 -0.03 -0.10 0.00 1.01 0.00 0.00 42.92 43.85 3kx8 s ASP 111 CO 0.20 -0.14 1.52 -1.61 0.21 0.00 0.00 175.17 175.35 3kx8 s GLU 112 N -1.97 4.21 -0.00 8.23 0.41 -1.26 -0.47 118.70 127.84 3kx8 s GLU 112 Ca -0.01 2.41 0.05 0.00 -0.41 0.00 0.00 54.97 57.01 3kx8 s GLU 112 Cb -0.08 -3.09 -0.07 0.00 -1.78 0.00 0.00 34.13 29.10 3kx8 s GLU 112 CO 0.02 -0.53 0.18 0.44 -0.49 0.00 0.00 175.26 174.87 3kx8 n ILE 113 N 2.72 0.00 0.00 -1.63 -5.35 0.29 -4.19 119.36 111.20 3kx8 n ILE 113 Ca 0.09 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3kx8 n ILE 113 Cb 0.39 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 3kx8 n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kx8 n GLY 114 N 1.59 1.97 3.68 3.28 0.00 -1.17 0.32 105.19 114.85 3kx8 n GLY 114 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 3kx8 n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kx8 s SER 115 N 0.00 -0.37 0.00 1.61 1.04 -1.24 -1.11 113.70 113.64 3kx8 s SER 115 Ca 0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3kx8 s SER 115 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3kx8 s SER 115 CO 0.00 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.68 3kx8 n GLY 116 N -0.42 -0.38 3.01 7.32 0.00 -0.38 -1.59 105.19 112.75 3kx8 n GLY 116 Ca -0.09 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 3kx8 n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kx8 s THR 117 N -2.71 0.71 -0.01 2.61 2.01 0.26 -1.20 115.64 117.31 3kx8 s THR 117 Ca 0.00 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 61.68 3kx8 s THR 117 Cb 0.00 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 3kx8 s THR 117 CO 0.00 0.21 -0.12 -2.28 -0.69 0.00 0.00 174.62 171.74 3kx8 s HIS 118 N -0.05 1.04 0.09 4.92 5.04 -0.12 -0.99 115.29 125.21 3kx8 s HIS 118 Ca 0.01 -0.20 0.07 0.00 -1.54 0.00 0.00 55.06 53.40 3kx8 s HIS 118 Cb -0.05 -0.67 -0.03 0.00 0.04 0.00 0.00 32.58 31.87 3kx8 s HIS 118 CO -0.00 -0.02 -0.18 -1.21 -2.34 0.00 0.00 174.74 170.99 3kx8 s GLU 119 N -0.26 1.00 -0.03 2.88 2.02 -0.77 -0.07 118.70 123.47 3kx8 s GLU 119 Ca 0.04 -1.10 -0.08 0.00 0.02 0.00 0.00 54.97 53.86 3kx8 s GLU 119 Cb -0.05 -1.12 0.01 0.00 0.10 0.00 0.00 34.13 33.07 3kx8 s GLU 119 CO -0.00 0.25 0.17 1.03 0.02 0.00 0.00 175.26 176.73 3kx8 s ARG 120 N -1.94 0.40 -0.07 1.61 0.52 -0.42 -0.24 118.95 118.81 3kx8 s ARG 120 Ca 0.04 -0.12 0.05 0.00 -0.52 0.00 0.00 55.73 55.18 3kx8 s ARG 120 Cb -0.09 0.17 -0.01 0.00 0.52 0.00 0.00 34.95 35.54 3kx8 s ARG 120 CO 0.03 -0.09 -0.23 0.00 0.02 0.00 0.00 175.30 175.04 3kx8 s ALA 121 N -0.79 2.04 0.01 2.13 0.00 -0.37 -0.46 121.76 124.33 3kx8 s ALA 121 Ca -0.09 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 3kx8 s ALA 121 Cb -0.05 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3kx8 s ALA 121 CO 0.01 0.35 1.14 0.08 0.00 0.00 0.00 175.76 177.35 3kx8 s VAL 122 N 0.02 4.31 0.16 0.00 1.01 -0.29 -0.92 120.40 124.69 3kx8 s VAL 122 Ca -0.08 1.65 0.10 0.00 0.00 0.00 0.00 61.98 63.65 3kx8 s VAL 122 Cb -0.15 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3kx8 s VAL 122 CO 0.05 0.09 -0.21 0.27 0.00 0.00 0.00 175.10 175.30 3kx8 s ILE 123 N 1.35 2.58 -0.23 2.22 -4.36 0.91 -4.95 121.20 118.72 3kx8 s ILE 123 Ca 0.56 -1.79 -0.27 0.00 -0.26 0.00 0.00 60.65 58.89 3kx8 s ILE 123 Cb -0.26 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.24 3kx8 s ILE 123 CO 0.27 -0.02 0.92 -2.28 0.24 0.00 0.00 174.94 174.07 3kx8 s HIS 124 N -1.42 3.33 0.10 1.37 5.65 -1.26 -0.61 115.29 122.46 3kx8 s HIS 124 Ca 0.19 1.30 -0.20 0.00 0.25 0.00 0.00 55.06 56.60 3kx8 s HIS 124 Cb -0.09 -3.15 -0.08 0.00 -1.18 0.00 0.00 32.58 28.08 3kx8 s HIS 124 CO 0.10 -0.42 1.69 -0.07 -0.65 0.00 0.00 174.74 175.39 3kx8 h LEU 125 N 9.22 0.24 -0.48 8.88 3.38 -1.29 -1.64 115.31 133.61 3kx8 h LEU 125 Ca -0.22 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.70 3kx8 h LEU 125 Cb 1.08 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3kx8 h LEU 125 CO 0.92 0.27 0.23 -0.33 0.09 0.00 0.00 178.44 179.61 3kx8 h GLU 126 N 0.19 0.44 -0.08 1.13 3.07 -1.94 -1.13 114.58 116.27 3kx8 h GLU 126 Ca 0.07 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 3kx8 h GLU 126 Cb 0.08 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3kx8 h GLU 126 CO -0.01 0.29 -0.42 -0.22 -1.40 0.00 0.00 179.01 177.25 3kx8 h LYS 127 N 0.46 0.18 -0.06 2.33 3.64 -1.91 -2.90 116.57 118.31 3kx8 h LYS 127 Ca 0.21 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 3kx8 h LYS 127 Cb 0.14 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3kx8 h LYS 127 CO -0.16 0.57 -0.36 0.35 -2.27 0.00 0.00 179.45 177.59 3kx8 h PHE 128 N 0.15 0.47 -0.59 1.91 3.57 -1.01 -3.07 116.94 118.36 3kx8 h PHE 128 Ca 0.01 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.32 3kx8 h PHE 128 Cb 0.81 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 3kx8 h PHE 128 CO 0.01 0.97 0.39 -0.91 -2.23 0.00 0.00 178.31 176.54 3kx8 h ASN 129 N -0.16 0.65 -0.67 0.41 2.35 -1.21 -2.04 115.58 114.90 3kx8 h ASN 129 Ca -0.03 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 3kx8 h ASN 129 Cb 1.02 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.21 3kx8 h ASN 129 CO 0.07 0.46 0.10 0.00 -1.65 0.00 0.00 177.43 176.41 3kx8 h ALA 130 N 1.64 0.90 -0.80 -0.83 0.00 -1.57 0.26 119.26 118.85 3kx8 h ALA 130 Ca 0.23 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kx8 h ALA 130 Cb -0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3kx8 h ALA 130 CO -0.05 0.67 0.53 0.87 0.00 0.00 0.00 179.25 181.26 3kx8 h LYS 131 N 1.05 1.02 0.06 0.00 6.56 -1.29 -2.44 116.57 121.52 3kx8 h LYS 131 Ca 0.20 -0.06 -0.24 0.00 -1.06 0.00 0.00 60.65 59.49 3kx8 h LYS 131 Cb 0.45 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.87 3kx8 h LYS 131 CO 0.01 0.68 -1.11 -0.24 -2.06 0.00 0.00 179.45 176.73 3kx8 h VAL 132 N 1.05 1.62 -0.66 0.50 3.04 -1.16 -3.11 116.25 117.53 3kx8 h VAL 132 Ca 0.31 -3.26 0.17 0.00 -1.01 0.00 0.00 66.70 62.90 3kx8 h VAL 132 Cb -0.07 2.89 -0.03 0.00 -2.01 0.00 0.00 31.29 32.07 3kx8 h VAL 132 CO -0.08 0.94 0.46 0.03 -1.01 0.00 0.00 177.57 177.91 3kx8 h ARG 133 N 0.03 0.12 -0.53 4.17 3.08 -0.38 -2.15 114.38 118.72 3kx8 h ARG 133 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kx8 h ARG 133 Cb 1.86 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.88 3kx8 h ARG 133 CO 0.16 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 179.14 3kx8 n GLN 134 N -4.39 4.06 -0.09 0.04 10.64 -0.93 -3.31 117.38 123.39 3kx8 n GLN 134 Ca 0.13 -2.97 0.02 0.00 -1.83 0.00 0.00 57.00 52.34 3kx8 n GLN 134 Cb 0.64 -2.02 0.02 0.00 -0.86 0.00 0.00 30.24 28.02 3kx8 n GLN 134 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 3kx8 n LYS 135 N 0.56 1.22 -3.10 2.61 2.85 -0.86 -5.06 118.16 116.38 3kx8 n LYS 135 Ca 0.25 -1.25 -0.40 0.00 -1.05 0.00 0.00 58.31 55.87 3kx8 n LYS 135 Cb 1.01 -0.83 -0.05 0.00 -0.65 0.00 0.00 35.03 34.51 3kx8 n LYS 135 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 3kx8 s THR 136 N -0.79 5.04 -1.45 0.58 -1.32 -0.90 -5.09 115.64 111.71 3kx8 s THR 136 Ca 0.05 1.28 0.00 0.00 -1.21 0.00 0.00 61.69 61.82 3kx8 s THR 136 Cb 0.04 -3.98 0.00 0.00 -1.51 0.00 0.00 72.50 67.06 3kx8 s THR 136 CO 0.00 0.18 0.36 -0.81 -2.21 0.00 0.00 174.62 172.14