#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx8 n VAL 7 N 0.00 0.06 0.00 5.15 0.31 -1.26 -1.33 118.33 121.26 3kx8 n VAL 7 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3kx8 n VAL 7 Cb 0.00 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 3kx8 n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kx8 n GLY 8 N 3.08 1.52 3.80 2.92 0.00 0.02 -5.02 105.19 111.50 3kx8 n GLY 8 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3kx8 n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kx8 s GLU 9 N -0.97 4.15 -0.05 1.61 -1.05 -0.44 -4.81 118.70 117.14 3kx8 s GLU 9 Ca 0.00 1.31 0.06 0.00 -0.15 0.00 0.00 54.97 56.19 3kx8 s GLU 9 Cb 0.00 -2.34 -0.01 0.00 -0.44 0.00 0.00 34.13 31.34 3kx8 s GLU 9 CO 0.00 -0.12 -0.22 1.03 0.95 0.00 0.00 175.26 176.90 3kx8 s ARG 10 N -2.86 2.14 -0.07 -4.83 0.52 -1.26 -1.76 118.95 110.83 3kx8 s ARG 10 Ca 0.61 -0.78 0.05 0.00 -0.52 0.00 0.00 55.73 55.09 3kx8 s ARG 10 Cb -0.16 -1.87 -0.01 0.00 0.52 0.00 0.00 34.95 33.44 3kx8 s ARG 10 CO 0.20 0.35 -0.23 0.12 0.02 0.00 0.00 175.30 175.76 3kx8 s PHE 11 N -0.15 2.51 0.11 -0.53 2.19 0.19 -4.97 117.98 117.33 3kx8 s PHE 11 Ca -0.02 -0.73 0.07 0.00 0.33 0.00 0.00 56.93 56.58 3kx8 s PHE 11 Cb -0.12 -1.64 -0.04 0.00 -1.31 0.00 0.00 43.02 39.91 3kx8 s PHE 11 CO 0.02 -0.22 -0.08 0.99 1.83 0.00 0.00 175.22 177.76 3kx8 s THR 12 N -0.07 3.49 -0.21 0.12 2.01 -1.26 -0.58 115.64 119.14 3kx8 s THR 12 Ca -0.06 -1.26 -0.07 0.00 0.31 0.00 0.00 61.69 60.62 3kx8 s THR 12 Cb -0.14 -2.65 0.10 0.00 0.01 0.00 0.00 72.50 69.81 3kx8 s THR 12 CO 0.05 0.09 0.43 -2.28 -0.69 0.00 0.00 174.62 172.22 3kx8 s HIS 13 N -1.29 -0.85 0.11 4.92 5.04 -0.65 -4.99 115.29 117.57 3kx8 s HIS 13 Ca 0.23 1.52 0.04 0.00 -1.54 0.00 0.00 55.06 55.30 3kx8 s HIS 13 Cb -0.11 0.32 -0.04 0.00 0.04 0.00 0.00 32.58 32.79 3kx8 s HIS 13 CO 0.15 -0.53 0.10 -0.51 -2.34 0.00 0.00 174.74 171.61 3kx8 s ASP 14 N 2.63 5.54 -0.29 9.88 1.01 -1.26 -0.42 116.67 133.75 3kx8 s ASP 14 Ca -0.00 -0.05 -0.04 0.00 0.71 0.00 0.00 52.55 53.17 3kx8 s ASP 14 Cb -0.12 -1.48 0.16 0.00 1.01 0.00 0.00 42.92 42.49 3kx8 s ASP 14 CO -0.14 0.14 0.58 0.12 0.21 0.00 0.00 175.17 176.08 3kx8 s PHE 15 N -1.51 -1.42 -0.18 4.23 2.19 0.24 -4.98 117.98 116.56 3kx8 s PHE 15 Ca 0.30 1.77 -0.29 0.00 0.33 0.00 0.00 56.93 59.04 3kx8 s PHE 15 Cb -0.11 0.56 -0.02 0.00 -1.31 0.00 0.00 43.02 42.13 3kx8 s PHE 15 CO 0.23 -0.79 1.44 0.08 1.83 0.00 0.00 175.22 178.01 3kx8 s VAL 16 N 2.82 3.96 -0.19 3.12 1.01 -1.26 -0.05 120.40 129.81 3kx8 s VAL 16 Ca 0.12 1.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 3kx8 s VAL 16 Cb -0.14 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3kx8 s VAL 16 CO -0.19 -0.22 1.67 -0.69 0.00 0.00 0.00 175.10 175.66 3kx8 s VAL 17 N 4.19 3.62 0.54 2.92 1.01 -0.12 -4.91 120.40 127.65 3kx8 s VAL 17 Ca 0.63 0.71 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 3kx8 s VAL 17 Cb -0.24 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3kx8 s VAL 17 CO 0.23 -0.23 0.82 -2.16 0.00 0.00 0.00 175.10 173.76 3kx8 s PRO 18 N 4.67 3.02 0.47 2.72 0.04 -1.26 -0.02 135.00 144.64 3kx8 s PRO 18 Ca 0.74 -0.13 0.21 0.00 0.04 0.00 0.00 61.00 61.85 3kx8 s PRO 18 Cb -0.27 -2.37 1.22 0.00 0.04 0.00 0.00 34.50 33.12 3kx8 s PRO 18 CO 0.30 -0.52 1.92 -1.35 0.04 0.00 0.00 177.00 177.39 3kx8 h PRO 19 N 0.04 0.23 -0.55 0.56 0.11 -1.94 -2.43 132.00 128.01 3kx8 h PRO 19 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kx8 h PRO 19 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kx8 h PRO 19 CO 0.60 0.15 0.00 -2.39 -0.21 0.00 0.00 178.00 176.15 3kx8 n HIS 20 N -4.43 0.45 -1.09 0.65 1.44 -1.26 -3.38 115.22 107.61 3kx8 n HIS 20 Ca 0.15 -0.18 0.06 0.00 -2.01 0.00 0.00 57.72 55.74 3kx8 n HIS 20 Cb 0.65 -0.11 0.24 0.00 0.12 0.00 0.00 29.99 30.88 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 0.16 2.54 -2.30 -1.40 4.01 -0.92 -4.79 118.16 115.46 3kx8 n LYS 21 Ca 0.08 -2.88 -0.25 0.00 -0.51 0.00 0.00 58.31 54.75 3kx8 n LYS 21 Cb 0.36 -1.81 0.07 0.00 -0.51 0.00 0.00 35.03 33.15 3kx8 n LYS 21 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3kx8 s THR 22 N -2.92 2.31 0.17 -0.18 -4.23 -1.22 -2.55 115.64 107.03 3kx8 s THR 22 Ca 0.42 -0.36 -0.15 0.00 -1.18 0.00 0.00 61.69 60.41 3kx8 s THR 22 Cb 0.35 -2.95 0.10 0.00 1.34 0.00 0.00 72.50 71.34 3kx8 s THR 22 CO 0.07 0.00 1.68 0.58 -0.54 0.00 0.00 174.62 176.41 3kx8 h VAL 23 N -0.54 0.63 0.00 2.29 2.07 -1.74 -1.01 116.25 117.95 3kx8 h VAL 23 Ca -0.43 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3kx8 h VAL 23 Cb 1.30 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3kx8 h VAL 23 CO 0.55 0.01 0.00 0.08 0.02 0.00 0.00 177.57 178.23 3kx8 h ARG 24 N 0.07 0.00 0.00 1.57 0.11 -1.89 -2.17 114.38 112.07 3kx8 h ARG 24 Ca 0.21 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.23 3kx8 h ARG 24 Cb 0.32 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 3kx8 h ARG 24 CO -0.39 0.00 -0.99 0.45 0.10 0.00 0.00 179.97 179.15 3kx8 h HIS 25 N 0.00 0.00 -0.14 4.08 3.86 -1.49 -2.82 115.15 118.64 3kx8 h HIS 25 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3kx8 h HIS 25 Cb 0.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3kx8 h HIS 25 CO 0.00 0.22 0.01 1.25 0.86 0.00 0.00 177.93 180.27 3kx8 h LEU 26 N 0.00 0.23 -7.01 2.43 5.85 -1.20 -3.36 115.31 112.25 3kx8 h LEU 26 Ca -0.05 -0.28 -0.62 0.00 0.84 0.00 0.00 57.88 57.77 3kx8 h LEU 26 Cb 1.21 -0.06 -0.41 0.00 0.37 0.00 0.00 40.66 41.78 3kx8 h LEU 26 CO 0.02 0.45 -0.69 -0.31 -0.34 0.00 0.00 178.44 177.57 3kx8 s TYR 27 N -5.09 2.68 0.48 1.25 1.51 -1.23 -4.95 117.35 112.00 3kx8 s TYR 27 Ca -0.14 -2.90 0.40 0.00 -1.01 0.00 0.00 57.07 53.41 3kx8 s TYR 27 Cb 0.06 -2.24 2.16 0.00 -0.11 0.00 0.00 41.96 41.83 3kx8 s TYR 27 CO 0.71 -0.69 2.21 -1.35 -1.11 0.00 0.00 175.55 175.32 3kx8 h PRO 28 N 6.02 0.00 -0.02 -1.71 0.11 -1.65 -1.35 132.00 133.41 3kx8 h PRO 28 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3kx8 h PRO 28 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kx8 h PRO 28 CO 0.59 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.53 3kx8 n GLU 29 N -2.89 1.40 -3.38 1.05 0.00 -1.26 -4.78 120.64 110.77 3kx8 n GLU 29 Ca -0.03 -0.59 -0.43 0.00 0.00 0.00 0.00 57.16 56.12 3kx8 n GLU 29 Cb 0.07 -1.47 -0.09 0.00 0.00 0.00 0.00 31.44 29.94 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 -1.95 6.16 0.30 -1.84 0.15 -0.51 -4.93 113.70 111.08 3kx8 s SER 30 Ca 0.41 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 56.39 3kx8 s SER 30 Cb 0.21 -2.20 0.46 0.00 -1.71 0.00 0.00 66.02 62.78 3kx8 s SER 30 CO 0.34 -0.50 1.77 -0.65 1.20 0.00 0.00 173.24 175.40 3kx8 h PRO 31 N 8.66 0.51 0.00 5.44 0.11 -1.87 -2.66 132.00 142.18 3kx8 h PRO 31 Ca -0.27 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 3kx8 h PRO 31 Cb 1.12 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kx8 h PRO 31 CO 0.76 0.66 -0.04 0.93 -0.21 0.00 0.00 178.00 180.09 3kx8 h GLU 32 N 0.46 0.00 0.00 1.05 3.07 -1.96 -2.10 114.58 115.10 3kx8 h GLU 32 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3kx8 h GLU 32 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3kx8 h GLU 32 CO 0.04 0.04 -1.37 1.19 -1.40 0.00 0.00 179.01 177.51 3kx8 n PHE 33 N -3.31 0.12 0.30 4.33 0.99 -1.05 -4.47 117.46 114.37 3kx8 n PHE 33 Ca -0.02 0.03 0.17 0.00 -0.00 0.00 0.00 57.45 57.64 3kx8 n PHE 33 Cb 0.20 -0.35 0.74 0.00 -1.00 0.00 0.00 39.48 39.07 3kx8 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kx8 h ALA 34 N 2.46 1.00 -0.40 4.37 0.00 -1.04 -1.80 119.26 123.85 3kx8 h ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kx8 h ALA 34 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kx8 h ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 3kx8 n GLU 35 N -2.90 2.86 -2.08 0.00 1.02 -1.26 -4.96 120.64 113.32 3kx8 n GLU 35 Ca 0.00 -2.15 -0.35 0.00 -0.02 0.00 0.00 57.16 54.64 3kx8 n GLU 35 Cb 0.24 -1.32 0.02 0.00 -0.02 0.00 0.00 31.44 30.36 3kx8 n GLU 35 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3kx8 s PHE 36 N -1.03 2.52 0.54 -0.32 0.40 -0.67 -4.99 117.98 114.42 3kx8 s PHE 36 Ca 0.27 1.53 -0.20 0.00 -0.60 0.00 0.00 56.93 57.93 3kx8 s PHE 36 Cb 0.14 -3.37 -0.07 0.00 0.51 0.00 0.00 43.02 40.23 3kx8 s PHE 36 CO 0.18 -1.91 1.01 -0.35 0.70 0.00 0.00 175.22 174.85 3kx8 n PRO 37 N -1.56 1.12 -2.17 0.24 -0.04 -1.26 -4.85 135.00 126.47 3kx8 n PRO 37 Ca 0.12 0.42 -0.41 0.00 -0.04 0.00 0.00 63.50 63.59 3kx8 n PRO 37 Cb 0.50 -2.16 -0.01 0.00 -0.04 0.00 0.00 33.50 31.79 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 -0.63 2.85 -4.17 0.54 -0.58 -1.26 -4.58 120.64 112.81 3kx8 n GLU 38 Ca 0.12 -2.90 -0.16 0.00 -0.42 0.00 0.00 57.16 53.79 3kx8 n GLU 38 Cb 0.45 -3.42 -0.11 0.00 -0.57 0.00 0.00 31.44 27.79 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 4.53 1.03 -0.13 2.62 -7.23 -1.26 -4.24 120.40 115.72 3kx8 s VAL 39 Ca 0.53 -1.45 -0.37 0.00 -1.81 0.00 0.00 61.98 58.88 3kx8 s VAL 39 Cb 0.07 -1.18 -0.14 0.00 0.56 0.00 0.00 36.38 35.69 3kx8 s VAL 39 CO 0.03 -0.38 1.74 0.33 -0.31 0.00 0.00 175.10 176.51 3kx8 n PHE 40 N 0.96 2.11 -2.66 2.82 -0.00 0.12 -2.58 117.46 118.23 3kx8 n PHE 40 Ca -0.19 0.33 -0.36 0.00 -0.00 0.00 0.00 57.45 57.23 3kx8 n PHE 40 Cb 0.56 -2.53 -0.05 0.00 -0.00 0.00 0.00 39.48 37.46 3kx8 n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kx8 s ALA 41 N 3.18 3.11 0.26 3.13 0.00 -1.06 -4.71 121.76 125.68 3kx8 s ALA 41 Ca 0.93 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 53.47 3kx8 s ALA 41 Cb -0.89 -3.23 0.43 0.00 0.00 0.00 0.00 23.12 19.44 3kx8 s ALA 41 CO 0.56 -0.04 1.85 1.15 0.00 0.00 0.00 175.76 179.28 3kx8 h THR 42 N 2.27 1.00 -0.68 0.00 2.02 -1.94 -2.05 112.91 113.53 3kx8 h THR 42 Ca -0.48 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 3kx8 h THR 42 Cb 1.20 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3kx8 h THR 42 CO 0.63 0.19 0.38 1.23 0.37 0.00 0.00 175.52 178.32 3kx8 h GLY 43 N 1.02 0.99 -2.01 2.16 0.00 -1.99 0.18 103.07 103.42 3kx8 h GLY 43 Ca 0.43 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3kx8 h GLY 43 CO -0.21 0.41 0.00 0.69 0.00 0.00 0.00 176.54 177.43 3kx8 n PHE 44 N -4.38 0.00 0.00 5.60 3.72 -0.77 -2.21 117.46 119.42 3kx8 n PHE 44 Ca 0.07 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3kx8 n PHE 44 Cb 0.09 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 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 0.71 0.00 -0.33 -4.37 0.31 0.05 -1.40 118.33 113.30 3kx8 n VAL 46 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3kx8 n VAL 46 Cb 0.29 0.00 0.14 0.00 -0.91 0.00 0.00 33.84 33.36 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 1.31 -1.73 2.92 0.00 -1.70 -1.02 103.07 102.85 3kx8 h GLY 47 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3kx8 h GLY 47 CO 0.00 0.51 0.00 -0.10 0.00 0.00 0.00 176.54 176.95 3kx8 n LEU 48 N -4.37 0.80 0.00 3.11 7.94 -0.50 -0.82 117.00 123.16 3kx8 n LEU 48 Ca 0.10 -0.40 0.00 0.00 -1.11 0.00 0.00 56.01 54.60 3kx8 n LEU 48 Cb 0.05 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 43.83 3kx8 n LEU 48 CO 0.37 0.14 0.00 -0.62 -1.11 0.00 0.00 177.39 176.17 3kx8 n GLU 50 N 0.71 0.00 -0.22 1.96 1.02 -0.39 -1.93 120.64 121.79 3kx8 n GLU 50 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 3kx8 n GLU 50 Cb 0.14 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.64 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 0.66 -0.28 -0.32 7.01 -1.24 0.22 115.95 122.00 3kx8 h TRP 51 Ca 0.00 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.04 3kx8 h TRP 51 Cb 0.00 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 3kx8 h TRP 51 CO 0.00 0.33 0.15 0.00 -2.79 0.00 0.00 178.44 176.12 3kx8 h ALA 52 N 1.32 0.34 -0.56 2.65 0.00 -1.65 -0.98 119.26 120.38 3kx8 h ALA 52 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3kx8 h ALA 52 Cb 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kx8 h ALA 52 CO -0.16 -0.24 0.18 0.00 0.00 0.00 0.00 179.25 179.03 3kx8 h VAL 54 N 0.78 0.98 -0.41 0.00 2.07 -0.37 -2.98 116.25 116.32 3kx8 h VAL 54 Ca 0.18 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 3kx8 h VAL 54 Cb 0.27 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3kx8 h VAL 54 CO -0.01 0.16 -0.05 0.03 0.02 0.00 0.00 177.57 177.72 3kx8 h ARG 55 N 0.86 0.76 -0.37 1.57 3.08 -0.93 -2.62 114.38 116.73 3kx8 h ARG 55 Ca 0.37 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3kx8 h ARG 55 Cb 0.24 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3kx8 h ARG 55 CO -0.20 0.87 0.00 0.00 -1.07 0.00 0.00 179.97 179.57 3kx8 n ALA 56 N -2.43 1.09 0.00 0.04 0.00 -0.82 -4.53 120.51 113.86 3kx8 n ALA 56 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kx8 n ALA 56 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.59 0.00 0.31 0.00 0.00 -0.99 -4.78 120.51 115.64 3kx8 n ALA 58 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3kx8 n ALA 58 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 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 0.01 0.00 0.00 -0.02 -1.26 -3.01 135.00 130.72 3kx8 n PRO 59 Ca 0.00 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 61.89 3kx8 n PRO 59 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 -1.53 0.00 -3.12 6.00 4.01 -1.26 -4.97 117.16 116.29 3kx8 n TYR 60 Ca 0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.37 3kx8 n TYR 60 Cb 0.11 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 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 -1.70 4.56 0.65 7.72 1.43 -1.16 -5.08 118.68 125.10 3kx8 s LEU 61 Ca 0.11 1.46 -0.14 0.00 -1.03 0.00 0.00 54.13 54.53 3kx8 s LEU 61 Cb 0.10 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 3kx8 s LEU 61 CO 0.29 0.23 1.08 -1.61 0.23 0.00 0.00 176.35 176.57 3kx8 s GLU 62 N -1.06 2.95 0.02 1.70 0.41 -1.26 -4.95 118.70 116.51 3kx8 s GLU 62 Ca 0.33 1.21 -0.37 0.00 -0.41 0.00 0.00 54.97 55.74 3kx8 s GLU 62 Cb -0.21 -1.98 -0.15 0.00 -1.78 0.00 0.00 34.13 30.00 3kx8 s GLU 62 CO 0.23 -1.10 1.52 -2.30 -0.49 0.00 0.00 175.26 173.11 3kx8 n PRO 63 N -2.53 1.46 -0.16 0.39 -0.02 -1.26 -1.64 135.00 131.24 3kx8 n PRO 63 Ca 0.09 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3kx8 n PRO 63 Cb 0.53 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 3.21 0.90 3.89 -1.23 0.00 -1.26 -5.06 105.19 105.63 3kx8 n GLY 64 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.64 3.61 0.00 1.61 2.02 -0.65 -1.06 118.70 123.58 3kx8 s GLU 65 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 54.90 3kx8 s GLU 65 Cb 0.00 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.27 3kx8 s GLU 65 CO 0.00 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.24 3kx8 n GLY 66 N 0.55 5.41 3.33 -1.39 0.00 0.23 -4.83 105.19 108.51 3kx8 n GLY 66 Ca -0.06 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.37 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 0.93 -0.02 0.08 1.61 1.04 -1.26 -0.01 113.70 116.06 3kx8 s SER 67 Ca 0.00 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 55.80 3kx8 s SER 67 Cb 0.00 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 3kx8 s SER 67 CO 0.00 -0.87 -0.14 -0.76 0.98 0.00 0.00 173.24 172.45 3kx8 s LEU 68 N -2.91 2.30 0.07 2.42 1.43 -0.18 -4.90 118.68 116.92 3kx8 s LEU 68 Ca 0.11 -0.65 -0.31 0.00 -1.03 0.00 0.00 54.13 52.25 3kx8 s LEU 68 Cb 0.03 -0.51 -0.08 0.00 0.03 0.00 0.00 46.19 45.66 3kx8 s LEU 68 CO -0.05 -0.09 1.57 -0.83 0.23 0.00 0.00 176.35 177.18 3kx8 s GLY 69 N -1.86 1.66 -0.01 -3.19 0.00 -1.26 -0.72 107.32 101.93 3kx8 s GLY 69 Ca -0.00 1.15 0.11 0.00 0.00 0.00 0.00 44.72 45.98 3kx8 s GLY 69 CO 0.02 2.73 0.29 -1.30 0.00 0.00 0.00 173.10 174.84 3kx8 n THR 70 N 4.54 0.00 -3.54 0.90 -2.24 0.51 -4.92 114.28 109.53 3kx8 n THR 70 Ca 0.15 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.51 3kx8 n THR 70 Cb 0.41 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.58 -1.79 -0.05 6.98 0.00 -1.10 -4.96 121.76 118.26 3kx8 s ALA 71 Ca -0.02 1.46 -0.03 0.00 0.00 0.00 0.00 51.96 53.37 3kx8 s ALA 71 Cb 0.07 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.94 3kx8 s ALA 71 CO 0.45 -0.36 0.12 -1.50 0.00 0.00 0.00 175.76 174.47 3kx8 s ILE 72 N -0.93 -0.03 -0.36 0.00 1.10 -1.26 -1.25 121.20 118.46 3kx8 s ILE 72 Ca -0.08 0.12 0.02 0.00 -0.51 0.00 0.00 60.65 60.19 3kx8 s ILE 72 Cb -0.01 -0.19 0.15 0.00 0.15 0.00 0.00 42.46 42.56 3kx8 s ILE 72 CO 0.07 0.05 0.31 0.00 -2.11 0.00 0.00 174.94 173.26 3kx8 s VAL 74 N 1.34 0.67 0.40 0.00 -7.23 -1.26 -0.85 120.40 113.47 3kx8 s VAL 74 Ca 0.17 -1.03 -0.02 0.00 -1.81 0.00 0.00 61.98 59.29 3kx8 s VAL 74 Cb -0.18 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 3kx8 s VAL 74 CO -0.03 -0.27 0.64 0.42 -0.31 0.00 0.00 175.10 175.54 3kx8 s THR 75 N -1.20 4.99 -0.31 5.32 -4.23 -0.72 -4.94 115.64 114.55 3kx8 s THR 75 Ca -0.06 -0.22 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 3kx8 s THR 75 Cb -0.09 -3.85 0.12 0.00 1.34 0.00 0.00 72.50 70.02 3kx8 s THR 75 CO 0.01 -0.66 0.20 -2.28 -0.54 0.00 0.00 174.62 171.35 3kx8 s HIS 76 N -2.48 0.15 -0.38 3.99 2.46 -1.26 -3.01 115.29 114.77 3kx8 s HIS 76 Ca 0.43 -0.83 0.10 0.00 0.47 0.00 0.00 55.06 55.23 3kx8 s HIS 76 Cb -0.10 -0.76 -0.12 0.00 -0.13 0.00 0.00 32.58 31.47 3kx8 s HIS 76 CO 0.39 -0.86 0.39 0.25 -2.47 0.00 0.00 174.74 172.44 3kx8 n THR 77 N 4.98 0.00 -3.93 0.89 -2.24 0.14 -4.96 114.28 109.16 3kx8 n THR 77 Ca -0.01 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 3kx8 n THR 77 Cb 0.42 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.40 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 -2.12 -0.09 0.05 6.98 0.00 -1.24 -5.02 121.76 120.33 3kx8 s ALA 78 Ca 0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 3kx8 s ALA 78 Cb 0.07 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 3kx8 s ALA 78 CO 0.42 -0.27 0.26 0.00 0.00 0.00 0.00 175.76 176.17 3kx8 s ALA 79 N -2.14 3.91 -0.20 0.00 0.00 -1.26 -4.80 121.76 117.26 3kx8 s ALA 79 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3kx8 s ALA 79 Cb -0.04 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 21.16 3kx8 s ALA 79 CO -0.03 0.73 -0.07 0.99 0.00 0.00 0.00 175.76 177.39 3kx8 s THR 80 N -1.46 1.41 0.70 0.00 2.01 -1.26 -5.01 115.64 112.04 3kx8 s THR 80 Ca 0.33 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 3kx8 s THR 80 Cb -0.13 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.79 3kx8 s THR 80 CO 0.23 0.04 1.07 -2.16 -0.69 0.00 0.00 174.62 173.10 3kx8 s PRO 81 N 1.48 2.87 0.31 4.92 0.04 -1.26 0.13 135.00 143.48 3kx8 s PRO 81 Ca -0.02 0.77 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 3kx8 s PRO 81 Cb -0.17 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 3kx8 s PRO 81 CO -0.07 -1.10 1.50 -2.30 0.04 0.00 0.00 177.00 175.06 3kx8 n PRO 82 N -3.10 2.51 0.00 0.56 -0.02 -1.26 -3.46 135.00 130.22 3kx8 n PRO 82 Ca 0.07 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 3kx8 n PRO 82 Cb 0.55 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3kx8 n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kx8 n GLY 83 N 1.56 1.07 3.85 -1.23 0.00 0.97 -4.99 105.19 106.42 3kx8 n GLY 83 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 3.66 -0.26 0.99 1.43 -1.22 -4.75 118.68 118.53 3kx8 s LEU 84 Ca 0.00 1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 54.39 3kx8 s LEU 84 Cb 0.00 -4.35 -0.04 0.00 0.03 0.00 0.00 46.19 41.82 3kx8 s LEU 84 CO 0.00 -0.55 0.30 -0.89 0.23 0.00 0.00 176.35 175.44 3kx8 s THR 85 N -2.58 5.24 -0.24 5.49 2.01 -1.26 -0.94 115.64 123.35 3kx8 s THR 85 Ca 0.56 0.42 -0.17 0.00 0.31 0.00 0.00 61.69 62.81 3kx8 s THR 85 Cb -0.10 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 3kx8 s THR 85 CO 0.33 0.22 0.47 -0.69 -0.69 0.00 0.00 174.62 174.25 3kx8 s VAL 86 N 1.77 5.12 -0.25 3.82 1.01 0.93 -3.81 120.40 128.98 3kx8 s VAL 86 Ca 0.12 0.81 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 3kx8 s VAL 86 Cb -0.15 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3kx8 s VAL 86 CO 0.09 0.14 0.08 -0.89 0.00 0.00 0.00 175.10 174.53 3kx8 s THR 87 N 1.97 4.43 -0.15 3.92 2.01 0.20 -0.59 115.64 127.43 3kx8 s THR 87 Ca 0.20 -0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.01 3kx8 s THR 87 Cb -0.15 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 3kx8 s THR 87 CO 0.09 0.33 0.06 -0.69 -0.69 0.00 0.00 174.62 173.72 3kx8 s VAL 88 N 1.61 4.78 -0.16 3.82 1.01 0.43 -1.88 120.40 130.01 3kx8 s VAL 88 Ca 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 3kx8 s VAL 88 Cb -0.15 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 3kx8 s VAL 88 CO 0.04 0.51 -0.05 -0.89 0.00 0.00 0.00 175.10 174.71 3kx8 s THR 89 N -0.06 3.67 -0.22 3.92 2.01 0.43 -1.64 115.64 123.74 3kx8 s THR 89 Ca 0.06 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.64 3kx8 s THR 89 Cb -0.12 -2.61 0.03 0.00 0.01 0.00 0.00 72.50 69.81 3kx8 s THR 89 CO 0.01 0.48 -0.13 0.00 -0.69 0.00 0.00 174.62 174.29 3kx8 s ALA 90 N 0.55 2.51 -0.15 7.40 0.00 0.25 -1.11 121.76 131.21 3kx8 s ALA 90 Ca -0.04 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 3kx8 s ALA 90 Cb -0.15 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 3kx8 s ALA 90 CO 0.03 -0.68 -0.07 -2.00 0.00 0.00 0.00 175.76 173.04 3kx8 s GLU 91 N 1.26 3.55 -0.08 0.00 2.12 0.05 -0.64 118.70 124.97 3kx8 s GLU 91 Ca 0.00 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 3kx8 s GLU 91 Cb -0.16 -2.83 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 3kx8 s GLU 91 CO -0.08 0.20 1.36 -1.17 -0.54 0.00 0.00 175.26 175.03 3kx8 s LEU 92 N 0.45 4.26 -0.22 2.70 2.96 -0.72 -0.63 118.68 127.48 3kx8 s LEU 92 Ca -0.06 1.93 0.03 0.00 -0.22 0.00 0.00 54.13 55.81 3kx8 s LEU 92 Cb -0.15 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.80 3kx8 s LEU 92 CO 0.04 -0.75 -0.04 0.54 -1.32 0.00 0.00 176.35 174.81 3kx8 n ARG 93 N 6.12 0.68 -3.50 1.98 1.74 0.13 -0.80 116.66 123.01 3kx8 n ARG 93 Ca 0.14 0.16 -0.11 0.00 -0.77 0.00 0.00 57.85 57.26 3kx8 n ARG 93 Cb 0.44 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 3kx8 n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kx8 s SER 94 N -6.47 -0.46 -0.06 0.55 1.04 -1.13 -4.84 113.70 102.34 3kx8 s SER 94 Ca -0.28 0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 3kx8 s SER 94 Cb 0.08 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.68 3kx8 s SER 94 CO 0.67 -0.65 0.01 -0.69 0.98 0.00 0.00 173.24 173.56 3kx8 s VAL 95 N -2.61 0.25 -0.44 5.02 1.01 -1.26 -1.90 120.40 120.47 3kx8 s VAL 95 Ca 0.00 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.21 3kx8 s VAL 95 Cb -0.01 -0.41 0.18 0.00 0.00 0.00 0.00 36.38 36.14 3kx8 s VAL 95 CO -0.05 0.22 0.59 -1.61 0.00 0.00 0.00 175.10 174.25 3kx8 s GLU 96 N 1.76 0.88 -0.05 2.72 2.02 0.14 -4.97 118.70 121.20 3kx8 s GLU 96 Ca 0.01 -0.78 0.18 0.00 0.02 0.00 0.00 54.97 54.40 3kx8 s GLU 96 Cb -0.13 -0.22 -0.27 0.00 0.10 0.00 0.00 34.13 33.61 3kx8 s GLU 96 CO -0.04 -1.25 0.35 0.41 0.02 0.00 0.00 175.26 174.75 3kx8 n GLY 97 N 3.79 -0.83 0.08 -1.39 0.00 -1.26 -2.77 105.19 102.80 3kx8 n GLY 97 Ca 0.15 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.88 3kx8 n GLY 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kx8 h ARG 98 N 0.00 0.00 -5.22 1.61 9.65 -1.94 -3.46 114.38 115.03 3kx8 h ARG 98 Ca -0.07 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.20 3kx8 h ARG 98 Cb 1.01 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.45 3kx8 h ARG 98 CO 0.00 0.00 -0.52 1.03 2.80 0.00 0.00 179.97 183.28 3kx8 s ARG 99 N -3.23 4.07 -0.02 0.20 3.00 -1.12 -0.56 118.95 121.29 3kx8 s ARG 99 Ca 0.04 -0.28 0.06 0.00 0.00 0.00 0.00 55.73 55.55 3kx8 s ARG 99 Cb 0.12 -3.38 -0.03 0.00 0.00 0.00 0.00 34.95 31.67 3kx8 s ARG 99 CO 0.74 0.21 -0.19 -0.51 0.00 0.00 0.00 175.30 175.56 3kx8 s LEU 100 N 0.58 2.48 -0.05 2.53 1.43 0.14 -0.68 118.68 125.10 3kx8 s LEU 100 Ca 0.06 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 3kx8 s LEU 100 Cb -0.12 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 3kx8 s LEU 100 CO 0.01 0.32 -0.18 -0.44 0.23 0.00 0.00 176.35 176.28 3kx8 s SER 101 N -0.82 3.68 0.03 2.29 0.01 -0.80 -0.56 113.70 117.53 3kx8 s SER 101 Ca 0.12 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.11 3kx8 s SER 101 Cb -0.10 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.30 3kx8 s SER 101 CO 0.01 0.31 -0.15 0.26 0.41 0.00 0.00 173.24 174.08 3kx8 s TRP 102 N -0.52 1.32 -0.14 2.43 0.52 0.19 0.19 118.94 122.93 3kx8 s TRP 102 Ca 0.07 -0.33 -0.16 0.00 0.02 0.00 0.00 56.10 55.70 3kx8 s TRP 102 Cb -0.11 -0.80 -0.04 0.00 -1.15 0.00 0.00 33.47 31.36 3kx8 s TRP 102 CO 0.01 0.03 0.40 0.50 0.02 0.00 0.00 176.95 177.91 3kx8 s ARG 103 N -0.95 4.31 -0.03 4.98 3.52 0.20 -1.43 118.95 129.55 3kx8 s ARG 103 Ca 0.03 0.30 0.06 0.00 -0.13 0.00 0.00 55.73 55.99 3kx8 s ARG 103 Cb -0.07 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 3kx8 s ARG 103 CO 0.01 0.19 -0.20 0.14 -0.81 0.00 0.00 175.30 174.63 3kx8 s VAL 104 N 0.57 2.59 -0.02 7.11 -7.23 0.46 -0.77 120.40 123.12 3kx8 s VAL 104 Ca 0.22 -0.95 -0.05 0.00 -1.81 0.00 0.00 61.98 59.39 3kx8 s VAL 104 Cb -0.14 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.82 3kx8 s VAL 104 CO 0.08 0.55 0.10 -0.55 -0.31 0.00 0.00 175.10 174.97 3kx8 s SER 105 N -0.77 -0.01 0.01 4.85 0.15 -0.27 -0.28 113.70 117.39 3kx8 s SER 105 Ca 0.11 -0.06 -0.05 0.00 0.70 0.00 0.00 55.95 56.66 3kx8 s SER 105 Cb -0.10 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.41 3kx8 s SER 105 CO 0.00 -0.21 0.08 0.00 1.20 0.00 0.00 173.24 174.31 3kx8 s ALA 106 N -0.75 -0.17 -0.03 5.45 0.00 0.12 -0.43 121.76 125.95 3kx8 s ALA 106 Ca -0.08 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 3kx8 s ALA 106 Cb -0.05 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.18 3kx8 s ALA 106 CO 0.01 -0.18 0.16 -1.58 0.00 0.00 0.00 175.76 174.17 3kx8 s HIS 107 N -1.30 -0.08 -0.18 0.00 5.04 -0.79 -1.06 115.29 116.93 3kx8 s HIS 107 Ca -0.14 0.17 0.17 0.00 -1.54 0.00 0.00 55.06 53.71 3kx8 s HIS 107 Cb -0.08 0.01 0.52 0.00 0.04 0.00 0.00 32.58 33.07 3kx8 s HIS 107 CO 0.01 -0.20 1.41 -0.40 -2.34 0.00 0.00 174.74 173.22 3kx8 n ASP 108 N 2.17 3.79 0.00 9.88 5.68 -0.21 -0.62 116.55 137.24 3kx8 n ASP 108 Ca -0.18 -3.04 0.00 0.00 -0.50 0.00 0.00 54.79 51.08 3kx8 n ASP 108 Cb 0.57 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 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 -0.57 3.08 0.69 6.12 0.00 -1.25 -4.07 105.19 109.19 3kx8 n GLY 109 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.94 0.97 -4.36 1.61 0.31 -1.26 -5.08 118.33 109.58 3kx8 n VAL 110 Ca 0.00 0.10 -0.25 0.00 -0.01 0.00 0.00 64.34 64.18 3kx8 n VAL 110 Cb 0.00 -1.76 -0.12 0.00 -0.91 0.00 0.00 33.84 31.05 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 -5.94 2.96 0.09 4.52 1.01 -1.26 -5.10 116.67 112.95 3kx8 s ASP 111 Ca -0.12 -0.81 -0.31 0.00 0.71 0.00 0.00 52.55 52.02 3kx8 s ASP 111 Cb 0.03 -0.19 -0.09 0.00 1.01 0.00 0.00 42.92 43.69 3kx8 s ASP 111 CO 0.17 0.06 1.61 -0.70 0.21 0.00 0.00 175.17 176.52 3kx8 s GLU 112 N -2.45 4.21 -0.01 8.23 2.12 -1.26 -1.04 118.70 128.49 3kx8 s GLU 112 Ca 0.15 2.32 0.16 0.00 0.36 0.00 0.00 54.97 57.95 3kx8 s GLU 112 Cb -0.08 -3.46 -0.20 0.00 0.26 0.00 0.00 34.13 30.65 3kx8 s GLU 112 CO 0.07 -0.68 0.54 0.44 -0.54 0.00 0.00 175.26 175.09 3kx8 n ILE 113 N 4.49 0.00 0.00 -3.70 -5.35 -0.22 -4.31 119.36 110.26 3kx8 n ILE 113 Ca 0.15 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3kx8 n ILE 113 Cb 0.40 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 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 1.45 1.82 3.55 3.28 0.00 -1.19 -0.69 105.19 113.41 3kx8 n GLY 114 Ca 0.01 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.36 0.00 1.61 1.04 -1.16 -0.70 113.70 114.12 3kx8 s SER 115 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3kx8 s SER 115 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3kx8 s SER 115 CO 0.00 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3kx8 n GLY 116 N -0.32 -0.48 3.34 7.32 0.00 0.62 -1.76 105.19 113.90 3kx8 n GLY 116 Ca -0.09 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 3kx8 n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kx8 s THR 117 N -3.59 1.76 -0.16 2.61 -4.23 -0.03 -0.41 115.64 111.61 3kx8 s THR 117 Ca 0.00 -2.05 -0.09 0.00 -1.18 0.00 0.00 61.69 58.37 3kx8 s THR 117 Cb 0.00 -1.92 0.06 0.00 1.34 0.00 0.00 72.50 71.97 3kx8 s THR 117 CO 0.00 -0.46 0.38 -2.28 -0.54 0.00 0.00 174.62 171.73 3kx8 s HIS 118 N -2.50 -0.55 -0.04 3.99 5.04 -0.52 -0.97 115.29 119.74 3kx8 s HIS 118 Ca 0.19 1.20 0.05 0.00 -1.54 0.00 0.00 55.06 54.95 3kx8 s HIS 118 Cb -0.03 0.23 -0.02 0.00 0.04 0.00 0.00 32.58 32.79 3kx8 s HIS 118 CO 0.07 -0.32 -0.17 -1.21 -2.34 0.00 0.00 174.74 170.76 3kx8 s GLU 119 N 1.33 2.43 0.12 2.88 8.01 -0.38 -0.64 118.70 132.45 3kx8 s GLU 119 Ca -0.09 -0.76 0.06 0.00 0.01 0.00 0.00 54.97 54.18 3kx8 s GLU 119 Cb -0.09 -2.29 -0.04 0.00 -4.31 0.00 0.00 34.13 27.41 3kx8 s GLU 119 CO -0.12 0.59 -0.14 1.03 0.01 0.00 0.00 175.26 176.64 3kx8 s ARG 120 N -0.66 0.99 -0.08 1.61 0.52 0.28 -0.36 118.95 121.25 3kx8 s ARG 120 Ca 0.10 -1.21 0.05 0.00 -0.52 0.00 0.00 55.73 54.15 3kx8 s ARG 120 Cb -0.11 -0.86 -0.01 0.00 0.52 0.00 0.00 34.95 34.50 3kx8 s ARG 120 CO 0.00 0.16 -0.23 0.00 0.02 0.00 0.00 175.30 175.26 3kx8 s ALA 121 N -2.11 2.24 0.04 2.13 0.00 0.10 -0.69 121.76 123.47 3kx8 s ALA 121 Ca 0.08 -1.00 -0.31 0.00 0.00 0.00 0.00 51.96 50.73 3kx8 s ALA 121 Cb -0.05 -0.79 -0.06 0.00 0.00 0.00 0.00 23.12 22.22 3kx8 s ALA 121 CO 0.03 0.37 1.35 0.08 0.00 0.00 0.00 175.76 177.59 3kx8 s VAL 122 N 0.02 3.68 0.21 0.00 1.01 0.27 -1.01 120.40 124.58 3kx8 s VAL 122 Ca -0.09 1.14 0.11 0.00 0.00 0.00 0.00 61.98 63.14 3kx8 s VAL 122 Cb -0.15 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3kx8 s VAL 122 CO 0.05 0.04 -0.18 0.27 0.00 0.00 0.00 175.10 175.28 3kx8 s ILE 123 N 1.80 2.68 -0.32 2.22 -4.36 0.98 -4.94 121.20 119.26 3kx8 s ILE 123 Ca 0.63 -1.98 -0.20 0.00 -0.26 0.00 0.00 60.65 58.84 3kx8 s ILE 123 Cb -0.32 -2.33 -0.01 0.00 1.25 0.00 0.00 42.46 41.06 3kx8 s ILE 123 CO 0.28 -0.17 0.60 -2.28 0.24 0.00 0.00 174.94 173.60 3kx8 s HIS 124 N -1.85 3.19 0.31 1.37 5.65 -1.26 -0.60 115.29 122.11 3kx8 s HIS 124 Ca 0.24 0.44 0.03 0.00 0.25 0.00 0.00 55.06 56.02 3kx8 s HIS 124 Cb -0.08 -3.00 0.53 0.00 -1.18 0.00 0.00 32.58 28.85 3kx8 s HIS 124 CO 0.13 -0.51 1.83 -0.07 -0.65 0.00 0.00 174.74 175.46 3kx8 h LEU 125 N 9.18 0.53 -0.07 8.88 3.38 -1.43 -0.98 115.31 134.78 3kx8 h LEU 125 Ca -0.27 -0.12 -0.21 0.00 0.09 0.00 0.00 57.88 57.37 3kx8 h LEU 125 Cb 1.12 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.74 3kx8 h LEU 125 CO 0.80 0.63 -0.78 -0.33 0.09 0.00 0.00 178.44 178.85 3kx8 h GLU 126 N 0.52 0.66 -0.62 1.13 4.39 -1.94 -1.46 114.58 117.26 3kx8 h GLU 126 Ca 0.11 -0.61 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 3kx8 h GLU 126 Cb 0.41 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3kx8 h GLU 126 CO 0.02 1.22 0.27 -0.22 -1.16 0.00 0.00 179.01 179.14 3kx8 h LYS 127 N 0.32 0.92 0.06 2.33 3.64 -1.90 -1.68 116.57 120.24 3kx8 h LYS 127 Ca -0.08 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3kx8 h LYS 127 Cb 1.43 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3kx8 h LYS 127 CO 0.16 0.76 -0.03 0.35 -2.27 0.00 0.00 179.45 178.42 3kx8 h PHE 128 N 0.87 -0.07 -0.58 1.91 3.57 -1.18 -2.51 116.94 118.95 3kx8 h PHE 128 Ca 0.21 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.73 3kx8 h PHE 128 Cb 0.16 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3kx8 h PHE 128 CO 0.01 0.12 0.38 -0.91 -2.23 0.00 0.00 178.31 175.67 3kx8 h ASN 129 N -0.24 0.62 0.70 0.41 2.35 -1.20 -1.56 115.58 116.66 3kx8 h ASN 129 Ca -0.01 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3kx8 h ASN 129 Cb 0.21 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3kx8 h ASN 129 CO 0.01 0.44 -0.45 0.00 -1.65 0.00 0.00 177.43 175.78 3kx8 h ALA 130 N 1.65 -1.13 -0.88 -0.83 0.00 -1.24 -1.70 119.26 115.14 3kx8 h ALA 130 Ca 0.22 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.07 3kx8 h ALA 130 Cb -0.00 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3kx8 h ALA 130 CO -0.05 -1.15 0.57 0.87 0.00 0.00 0.00 179.25 179.48 3kx8 h LYS 131 N -1.09 0.56 0.00 0.00 1.57 -1.06 -0.77 116.57 115.78 3kx8 h LYS 131 Ca -0.09 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 3kx8 h LYS 131 Cb 0.88 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 3kx8 h LYS 131 CO 0.08 0.37 -0.55 0.28 -0.57 0.00 0.00 179.45 179.05 3kx8 h VAL 132 N 0.57 1.26 -0.09 0.50 2.07 -1.17 -2.83 116.25 116.55 3kx8 h VAL 132 Ca 0.45 -1.99 -0.16 0.00 0.82 0.00 0.00 66.70 65.81 3kx8 h VAL 132 Cb 0.88 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 3kx8 h VAL 132 CO -0.20 0.54 -0.65 0.03 0.02 0.00 0.00 177.57 177.32 3kx8 h ARG 133 N 0.00 0.36 0.00 1.57 3.08 -0.20 -2.12 114.38 117.07 3kx8 h ARG 133 Ca -0.01 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3kx8 h ARG 133 Cb 1.07 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3kx8 h ARG 133 CO 0.07 0.89 0.00 1.96 -1.07 0.00 0.00 179.97 181.82 3kx8 h GLN 134 N 0.26 0.00 0.00 0.04 1.08 -1.12 -1.41 115.11 113.95 3kx8 h GLN 134 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3kx8 h GLN 134 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3kx8 h GLN 134 CO 0.11 0.00 0.00 0.36 -0.95 0.00 0.00 178.83 178.35 3kx8 n LYS 135 N -2.33 0.86 -2.35 1.46 2.85 -1.17 -5.01 118.16 112.47 3kx8 n LYS 135 Ca -0.01 -0.91 -0.41 0.00 -1.05 0.00 0.00 58.31 55.93 3kx8 n LYS 135 Cb 0.07 -0.94 -0.03 0.00 -0.65 0.00 0.00 35.03 33.47 3kx8 n LYS 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3kx8 s THR 136 N -0.44 3.53 -2.07 0.58 2.01 -0.53 -5.10 115.64 113.62 3kx8 s THR 136 Ca 0.00 1.27 0.31 0.00 0.31 0.00 0.00 61.69 63.59 3kx8 s THR 136 Cb 0.00 -3.81 0.86 0.00 0.01 0.00 0.00 72.50 69.56 3kx8 s THR 136 CO 0.00 0.20 2.16 -0.81 -0.69 0.00 0.00 174.62 175.48