#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn8 n LEU 2 N 0.00 0.00 0.00 4.03 0.00 -1.26 -3.96 117.00 115.81 1xn8 n LEU 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1xn8 n LEU 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1xn8 n LEU 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.39 177.28 1xn8 n LEU 3 N 0.00 0.00 -4.76 -1.96 7.94 -1.26 -5.14 117.00 111.82 1xn8 n LEU 3 Ca 0.00 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.53 1xn8 n LEU 3 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 1xn8 n LEU 3 CO 0.00 0.00 0.86 0.27 -1.11 0.00 0.00 177.39 177.41 1xn8 s ILE 4 N 0.00 2.78 0.22 1.96 -4.36 -1.25 -5.03 121.20 115.52 1xn8 s ILE 4 Ca 0.00 0.56 0.04 0.00 -0.26 0.00 0.00 60.65 60.99 1xn8 s ILE 4 Cb 0.00 -3.27 -0.03 0.00 1.25 0.00 0.00 42.46 40.41 1xn8 s ILE 4 CO 0.00 -0.04 0.35 0.42 0.24 0.00 0.00 174.94 175.91 1xn8 s THR 5 N -1.52 5.27 -0.38 8.37 -4.23 -1.26 -5.00 115.64 116.89 1xn8 s THR 5 Ca 0.69 -0.88 0.27 0.00 -1.18 0.00 0.00 61.69 60.58 1xn8 s THR 5 Cb -0.31 -3.83 0.32 0.00 1.34 0.00 0.00 72.50 70.02 1xn8 s THR 5 CO 0.37 -0.27 1.77 1.55 -0.54 0.00 0.00 174.62 177.50 1xn8 h PRO 6 N 1.43 0.00 -0.07 3.99 0.13 -1.93 -2.86 132.00 132.69 1xn8 h PRO 6 Ca -0.51 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 1xn8 h PRO 6 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1xn8 h PRO 6 CO 0.63 0.00 -0.71 -0.44 -0.23 0.00 0.00 178.00 177.25 1xn8 h ASP 7 N 0.00 0.41 0.19 1.44 5.19 -1.99 -2.82 116.42 118.84 1xn8 h ASP 7 Ca 0.00 -0.26 -0.24 0.00 -0.62 0.00 0.00 57.03 55.91 1xn8 h ASP 7 Cb 0.66 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 40.06 1xn8 h ASP 7 CO 0.00 0.99 -0.97 -0.33 -3.12 0.00 0.00 179.24 175.81 1xn8 h GLU 8 N 0.24 0.54 -0.19 3.56 4.39 -1.93 -1.58 114.58 119.60 1xn8 h GLU 8 Ca -0.02 -0.57 0.04 0.00 0.34 0.00 0.00 59.36 59.15 1xn8 h GLU 8 Cb 1.27 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.04 1xn8 h GLU 8 CO 0.12 1.19 -0.05 1.25 -1.16 0.00 0.00 179.01 180.36 1xn8 h LEU 9 N 0.31 -0.18 -0.98 1.33 5.85 -1.46 0.11 115.31 120.29 1xn8 h LEU 9 Ca -0.10 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 1xn8 h LEU 9 Cb 1.61 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 1xn8 h LEU 9 CO 0.18 -0.06 -0.45 0.07 -0.34 0.00 0.00 178.44 177.84 1xn8 h LYS 10 N 0.00 0.14 -0.83 1.25 5.09 -1.54 0.73 116.57 121.41 1xn8 h LYS 10 Ca 0.09 -0.07 0.01 0.00 0.09 0.00 0.00 60.65 60.77 1xn8 h LYS 10 Cb 0.14 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.43 1xn8 h LYS 10 CO -0.20 0.56 0.55 1.03 -2.09 0.00 0.00 179.45 179.30 1xn8 h SER 11 N 0.11 0.95 0.02 7.07 0.87 -0.11 -3.21 113.55 119.25 1xn8 h SER 11 Ca 0.01 -0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.35 1xn8 h SER 11 Cb 0.84 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1xn8 h SER 11 CO 0.06 0.68 -1.06 0.22 -0.53 0.00 0.00 176.83 176.21 1xn8 h TYR 12 N 1.12 0.09 -2.55 2.24 3.20 -0.58 -3.45 116.97 117.03 1xn8 h TYR 12 Ca 0.30 -0.06 -0.55 0.00 3.14 0.00 0.00 58.73 61.56 1xn8 h TYR 12 Cb -0.13 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1xn8 h TYR 12 CO -0.01 1.41 1.14 0.45 -1.64 0.00 0.00 178.16 179.51 1xn8 s SER 13 N -6.76 6.52 -0.39 -2.11 0.15 0.25 -4.86 113.70 106.50 1xn8 s SER 13 Ca -0.25 2.23 -0.01 0.00 0.70 0.00 0.00 55.95 58.62 1xn8 s SER 13 Cb 0.04 -2.53 0.29 0.00 -1.71 0.00 0.00 66.02 62.11 1xn8 s SER 13 CO 0.65 -1.05 1.96 1.33 1.20 0.00 0.00 173.24 177.32 1xn8 n VAL 14 N 5.73 2.90 -3.91 4.45 0.24 -1.26 -4.63 118.33 121.85 1xn8 n VAL 14 Ca 0.19 -1.85 -0.35 0.00 -2.04 0.00 0.00 64.34 60.29 1xn8 n VAL 14 Cb 0.43 -1.21 -0.14 0.00 -1.47 0.00 0.00 33.84 31.45 1xn8 n VAL 14 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xn8 s PHE 15 N -2.27 3.09 0.56 6.34 0.08 -1.26 -4.96 117.98 119.56 1xn8 s PHE 15 Ca 0.39 -1.43 0.29 0.00 0.12 0.00 0.00 56.93 56.30 1xn8 s PHE 15 Cb 0.31 -2.11 1.46 0.00 -0.57 0.00 0.00 43.02 42.11 1xn8 s PHE 15 CO 0.00 -0.70 1.90 1.05 -0.10 0.00 0.00 175.22 177.38 1xn8 h GLU 16 N 8.06 0.00 -0.65 0.44 4.11 -1.99 0.50 114.58 125.06 1xn8 h GLU 16 Ca -0.32 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.05 1xn8 h GLU 16 Cb 1.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1xn8 h GLU 16 CO 0.58 0.00 0.16 0.77 0.07 0.00 0.00 179.01 180.59 1xn8 h SER 17 N 0.00 0.97 0.52 3.06 0.02 -1.91 0.37 113.55 116.58 1xn8 h SER 17 Ca 0.31 -0.20 -0.19 0.00 -0.84 0.00 0.00 61.79 60.87 1xn8 h SER 17 Cb 1.38 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1xn8 h SER 17 CO -0.00 0.94 -0.82 0.58 -1.14 0.00 0.00 176.83 176.38 1xn8 h VAL 18 N 0.98 1.47 0.32 2.27 2.07 -0.26 -2.05 116.25 121.05 1xn8 h VAL 18 Ca 0.21 -2.47 -0.02 0.00 0.82 0.00 0.00 66.70 65.24 1xn8 h VAL 18 Cb 0.35 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1xn8 h VAL 18 CO 0.00 0.72 -0.16 0.11 0.02 0.00 0.00 177.57 178.27 1xn8 h LYS 19 N 0.13 -0.42 -0.69 1.57 1.57 -0.72 -3.18 116.57 114.84 1xn8 h LYS 19 Ca -0.04 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1xn8 h LYS 19 Cb 1.43 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.76 1xn8 h LYS 19 CO 0.13 -0.09 0.33 0.00 -0.57 0.00 0.00 179.45 179.25 1xn8 h THR 20 N -0.83 0.84 -1.61 -0.16 1.03 -0.34 -3.42 112.91 108.42 1xn8 h THR 20 Ca -0.04 -0.20 -0.68 0.00 -0.01 0.00 0.00 66.41 65.47 1xn8 h THR 20 Cb 0.52 0.22 0.07 0.00 -1.07 0.00 0.00 68.15 67.89 1xn8 h THR 20 CO 0.07 0.10 0.17 -1.14 -0.01 0.00 0.00 175.52 174.71 1xn8 n ARG 21 N -4.88 0.80 -1.73 0.00 3.00 -0.77 -4.91 116.66 108.16 1xn8 n ARG 21 Ca 0.10 0.29 -0.32 0.00 -0.00 0.00 0.00 57.85 57.92 1xn8 n ARG 21 Cb 0.27 -1.75 0.04 0.00 0.00 0.00 0.00 32.46 31.01 1xn8 n ARG 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xn8 s PRO 22 N -0.24 3.08 0.27 -0.14 0.04 -1.26 -4.82 135.00 131.93 1xn8 s PRO 22 Ca 0.77 1.03 0.01 0.00 0.04 0.00 0.00 61.00 62.85 1xn8 s PRO 22 Cb -0.96 -2.01 0.39 0.00 0.04 0.00 0.00 34.50 31.96 1xn8 s PRO 22 CO 0.53 -0.99 1.73 -0.44 0.04 0.00 0.00 177.00 177.87 1xn8 h ASP 23 N -0.33 0.58 -0.21 6.66 5.19 -1.94 0.64 116.42 127.01 1xn8 h ASP 23 Ca -0.45 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 55.79 1xn8 h ASP 23 Cb 1.21 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1xn8 h ASP 23 CO 0.57 0.76 0.13 1.05 -3.12 0.00 0.00 179.24 178.64 1xn8 h GLU 24 N 0.52 0.28 0.08 3.56 4.11 -2.00 0.18 114.58 121.32 1xn8 h GLU 24 Ca 0.09 -0.02 -0.32 0.00 0.07 0.00 0.00 59.36 59.18 1xn8 h GLU 24 Cb 0.60 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1xn8 h GLU 24 CO 0.04 0.19 -1.73 1.28 0.07 0.00 0.00 179.01 178.87 1xn8 n LEU 25 N -4.50 2.35 -0.31 3.06 4.77 -0.84 -3.72 117.00 117.80 1xn8 n LEU 25 Ca 0.00 0.29 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 1xn8 n LEU 25 Cb 0.08 -1.07 0.23 0.00 -2.33 0.00 0.00 43.42 40.34 1xn8 n LEU 25 CO 0.35 0.64 1.14 -0.07 -1.33 0.00 0.00 177.39 178.11 1xn8 h LEU 26 N -0.33 0.63 0.60 2.23 3.38 0.59 0.32 115.31 122.74 1xn8 h LEU 26 Ca -0.40 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1xn8 h LEU 26 Cb 1.77 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1xn8 h LEU 26 CO -0.02 0.28 -0.45 0.11 0.09 0.00 0.00 178.44 178.45 1xn8 h LYS 27 N 0.71 -0.97 -0.69 1.13 1.57 -0.81 1.46 116.57 118.98 1xn8 h LYS 27 Ca 0.48 0.07 0.16 0.00 -1.87 0.00 0.00 60.65 59.48 1xn8 h LYS 27 Cb 0.64 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 1xn8 h LYS 27 CO -0.34 -0.65 0.47 1.96 -0.57 0.00 0.00 179.45 180.33 1xn8 h GLN 28 N -1.00 0.25 -0.14 3.15 4.20 -1.43 0.20 115.11 120.33 1xn8 h GLN 28 Ca -0.08 -0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.42 1xn8 h GLN 28 Cb 0.83 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.56 1xn8 h GLN 28 CO 0.03 0.17 -0.68 -0.44 -0.67 0.00 0.00 178.83 177.23 1xn8 h ASP 29 N 0.26 0.84 0.02 1.46 3.32 0.53 -1.16 116.42 121.69 1xn8 h ASP 29 Ca 0.34 -0.63 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1xn8 h ASP 29 Cb 0.95 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1xn8 h ASP 29 CO -0.08 1.34 -0.01 0.40 -1.72 0.00 0.00 179.24 179.17 1xn8 h ILE 30 N 0.40 1.02 -0.05 0.35 2.04 0.47 -0.97 117.51 120.76 1xn8 h ILE 30 Ca -0.05 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1xn8 h ILE 30 Cb 1.32 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1xn8 h ILE 30 CO 0.14 0.03 -0.10 -0.07 0.00 0.00 0.00 178.15 178.15 1xn8 h LEU 31 N -0.07 0.06 -1.16 1.44 3.38 -0.79 -0.66 115.31 117.52 1xn8 h LEU 31 Ca -0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1xn8 h LEU 31 Cb 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xn8 h LEU 31 CO 0.00 0.17 -0.19 -0.33 0.09 0.00 0.00 178.44 178.19 1xn8 h GLU 32 N 0.07 0.35 0.01 1.13 4.39 -0.25 -0.08 114.58 120.21 1xn8 h GLU 32 Ca 0.02 -0.11 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 1xn8 h GLU 32 Cb 0.22 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1xn8 h GLU 32 CO 0.01 0.54 -0.45 0.00 -1.16 0.00 0.00 179.01 177.95 1xn8 h ALA 33 N 1.48 0.03 -0.93 3.43 0.00 0.10 -3.23 119.26 120.15 1xn8 h ALA 33 Ca 0.06 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.48 1xn8 h ALA 33 Cb 0.53 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1xn8 h ALA 33 CO 0.03 0.22 0.61 0.00 0.00 0.00 0.00 179.25 180.11 1xn8 h THR 34 N -0.35 1.11 -0.64 0.00 1.03 -1.01 0.44 112.91 113.49 1xn8 h THR 34 Ca -0.06 -0.38 0.11 0.00 -0.01 0.00 0.00 66.41 66.07 1xn8 h THR 34 Cb 1.20 -0.10 -0.04 0.00 -1.07 0.00 0.00 68.15 68.15 1xn8 h THR 34 CO 0.09 0.20 0.43 0.00 -0.01 0.00 0.00 175.52 176.23 1xn8 h ALA 35 N 1.48 2.02 -0.02 0.00 0.00 -1.05 1.15 119.26 122.84 1xn8 h ALA 35 Ca 0.39 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1xn8 h ALA 35 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xn8 h ALA 35 CO -0.14 -0.16 -0.13 0.22 0.00 0.00 0.00 179.25 179.05 1xn8 h ASP 36 N 0.44 0.15 -0.53 0.00 3.58 -0.96 -0.31 116.42 118.78 1xn8 h ASP 36 Ca 0.30 -0.67 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 1xn8 h ASP 36 Cb 0.59 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.57 1xn8 h ASP 36 CO -0.09 0.80 0.26 0.40 -2.88 0.00 0.00 179.24 177.73 1xn8 h ILE 37 N -0.49 1.19 -0.19 2.25 2.04 -0.25 0.82 117.51 122.88 1xn8 h ILE 37 Ca -0.01 -0.55 -0.14 0.00 1.00 0.00 0.00 64.86 65.16 1xn8 h ILE 37 Cb 0.80 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1xn8 h ILE 37 CO 0.03 0.23 -0.48 0.40 0.00 0.00 0.00 178.15 178.33 1xn8 h ILE 38 N 0.80 1.32 0.00 -0.67 2.04 0.13 -1.89 117.51 119.23 1xn8 h ILE 38 Ca 0.20 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 64.33 1xn8 h ILE 38 Cb 0.10 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1xn8 h ILE 38 CO -0.02 0.52 -0.17 -0.07 0.00 0.00 0.00 178.15 178.40 1xn8 h LEU 39 N 0.39 0.00 -0.01 1.44 3.38 0.10 1.00 115.31 121.61 1xn8 h LEU 39 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1xn8 h LEU 39 Cb 0.98 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1xn8 h LEU 39 CO 0.09 0.17 -0.29 0.11 0.09 0.00 0.00 178.44 178.61 1xn8 h LYS 40 N 0.00 0.22 0.03 1.13 1.57 -0.34 -3.28 116.57 115.90 1xn8 h LYS 40 Ca -0.00 -0.22 -0.22 0.00 -1.87 0.00 0.00 60.65 58.34 1xn8 h LYS 40 Cb 0.74 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1xn8 h LYS 40 CO 0.02 0.93 -1.01 -0.39 -0.57 0.00 0.00 179.45 178.44 1xn8 h VAL 41 N -0.41 1.59 -0.96 0.50 -1.51 -1.24 -3.44 116.25 110.78 1xn8 h VAL 41 Ca -0.03 -3.04 -0.03 0.00 -1.23 0.00 0.00 66.70 62.36 1xn8 h VAL 41 Cb 1.03 2.73 0.01 0.00 -2.13 0.00 0.00 31.29 32.92 1xn8 h VAL 41 CO 0.06 0.88 -0.05 0.61 -1.23 0.00 0.00 177.57 177.83 1xn8 n GLY 42 N 1.21 0.63 3.59 5.19 0.00 0.34 -3.36 105.19 112.79 1xn8 n GLY 42 Ca -0.03 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 1xn8 n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xn8 s HIS 43 N -2.67 -0.74 -0.00 1.61 3.76 -0.98 -5.01 115.29 111.25 1xn8 s HIS 43 Ca 0.03 1.66 0.05 0.00 -0.15 0.00 0.00 55.06 56.65 1xn8 s HIS 43 Cb -0.01 0.32 -0.03 0.00 1.11 0.00 0.00 32.58 33.96 1xn8 s HIS 43 CO 0.04 -0.45 -0.13 0.16 -0.85 0.00 0.00 174.74 173.50 1xn8 s ASP 44 N -0.13 4.11 -0.51 1.40 -4.77 -1.26 -4.71 116.67 110.80 1xn8 s ASP 44 Ca -0.04 -0.26 -0.18 0.00 -3.30 0.00 0.00 52.55 48.78 1xn8 s ASP 44 Cb -0.03 -0.83 0.08 0.00 -1.09 0.00 0.00 42.92 41.04 1xn8 s ASP 44 CO 0.04 0.30 0.56 -0.36 0.70 0.00 0.00 175.17 176.41 1xn8 s PHE 45 N -0.87 3.11 -0.27 2.11 0.40 -1.26 -4.87 117.98 116.32 1xn8 s PHE 45 Ca 0.14 -0.78 0.15 0.00 -0.60 0.00 0.00 56.93 55.84 1xn8 s PHE 45 Cb -0.11 -3.54 0.48 0.00 0.51 0.00 0.00 43.02 40.37 1xn8 s PHE 45 CO 0.04 -1.01 1.15 0.43 0.70 0.00 0.00 175.22 176.53 1xn8 n SER 46 N 5.85 3.26 -3.81 1.36 7.64 -1.26 -4.98 113.62 121.68 1xn8 n SER 46 Ca -0.09 -2.90 -0.29 0.00 1.01 0.00 0.00 58.87 56.60 1xn8 n SER 46 Cb 0.44 -0.41 -0.16 0.00 -1.01 0.00 0.00 64.21 63.07 1xn8 n SER 46 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xn8 s ASP 47 N -3.69 3.28 0.66 6.43 1.01 -1.26 -4.97 116.67 118.13 1xn8 s ASP 47 Ca 0.39 -0.96 0.31 0.00 0.71 0.00 0.00 52.55 53.00 1xn8 s ASP 47 Cb 0.37 -0.82 1.69 0.00 1.01 0.00 0.00 42.92 45.17 1xn8 s ASP 47 CO -0.00 -0.28 1.96 0.00 0.21 0.00 0.00 175.17 177.06 1xn8 h ALA 48 N 8.13 1.36 -0.75 5.23 0.00 -1.99 1.04 119.26 132.29 1xn8 h ALA 48 Ca -0.17 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 1xn8 h ALA 48 Cb 1.10 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.72 1xn8 h ALA 48 CO 0.37 -0.32 0.36 -0.85 0.00 0.00 0.00 179.25 178.80 1xn8 n GLU 49 N -2.97 3.11 0.00 0.00 0.28 -1.26 -4.42 120.64 115.38 1xn8 n GLU 49 Ca -0.01 -2.79 0.00 0.00 -0.16 0.00 0.00 57.16 54.20 1xn8 n GLU 49 Cb 0.37 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.11 1xn8 n GLU 49 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1xn8 n TYR 50 N -0.37 0.00 -3.63 -1.84 9.36 0.36 -5.08 117.16 115.96 1xn8 n TYR 50 Ca 0.43 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.38 1xn8 n TYR 50 Cb 1.39 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 40.00 1xn8 n TYR 50 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1xn8 n ILE 51 N 0.00 1.03 -1.55 2.97 5.41 -1.06 -4.41 119.36 121.75 1xn8 n ILE 51 Ca 0.00 -4.59 -0.30 0.00 1.00 0.00 0.00 62.75 58.86 1xn8 n ILE 51 Cb 0.00 -2.04 0.09 0.00 -0.71 0.00 0.00 39.64 36.98 1xn8 n ILE 51 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1xn8 s PRO 52 N -1.38 2.03 -0.40 0.38 0.04 -1.26 -5.05 135.00 129.36 1xn8 s PRO 52 Ca 0.31 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.97 1xn8 s PRO 52 Cb 0.04 -1.91 0.25 0.00 0.04 0.00 0.00 34.50 32.91 1xn8 s PRO 52 CO -0.13 -1.65 1.05 -0.11 0.04 0.00 0.00 177.00 176.19 1xn8 n LEU 53 N -3.45 -2.08 0.00 -3.56 7.94 -1.26 -5.10 117.00 109.49 1xn8 n LEU 53 Ca 0.07 -2.28 -0.20 0.00 -1.11 0.00 0.00 56.01 52.49 1xn8 n LEU 53 Cb 0.56 0.67 0.15 0.00 0.53 0.00 0.00 43.42 45.34 1xn8 n LEU 53 CO 0.57 1.70 0.50 -0.81 -1.11 0.00 0.00 177.39 178.23 1xn8 n PRO 54 N 1.87 -1.65 -0.11 1.96 -0.04 -1.26 -4.76 135.00 131.00 1xn8 n PRO 54 Ca 0.07 -1.28 -0.10 0.00 -0.04 0.00 0.00 63.50 62.15 1xn8 n PRO 54 Cb 0.66 -1.01 0.03 0.00 -0.04 0.00 0.00 33.50 33.14 1xn8 n PRO 54 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1xn8 h GLU 55 N 0.00 0.87 -0.39 0.54 4.57 -2.00 -0.63 114.58 117.55 1xn8 h GLU 55 Ca -0.28 -0.39 0.07 0.00 -1.18 0.00 0.00 59.36 57.57 1xn8 h GLU 55 Cb 0.82 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.33 1xn8 h GLU 55 CO 0.19 1.04 0.02 1.79 -1.18 0.00 0.00 179.01 180.87 1xn8 h THR 56 N 0.74 0.73 0.09 0.32 1.35 -1.93 1.40 112.91 115.61 1xn8 h THR 56 Ca 0.09 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1xn8 h THR 56 Cb 0.83 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1xn8 h THR 56 CO 0.07 0.02 -0.04 0.58 -0.25 0.00 0.00 175.52 175.90 1xn8 h VAL 57 N 0.13 1.14 -0.93 6.82 2.07 -1.77 0.57 116.25 124.27 1xn8 h VAL 57 Ca 0.19 -0.95 0.14 0.00 0.82 0.00 0.00 66.70 66.89 1xn8 h VAL 57 Cb 0.26 1.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 1xn8 h VAL 57 CO -0.30 0.23 0.59 0.03 0.02 0.00 0.00 177.57 178.14 1xn8 h ARG 58 N -0.57 0.77 -0.06 1.57 3.08 -0.71 0.61 114.38 119.07 1xn8 h ARG 58 Ca -0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1xn8 h ARG 58 Cb 0.47 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1xn8 h ARG 58 CO 0.02 0.51 -0.06 1.25 -1.07 0.00 0.00 179.97 180.62 1xn8 h LEU 59 N 0.79 0.16 -0.75 3.04 5.85 0.20 0.53 115.31 125.13 1xn8 h LEU 59 Ca 0.47 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1xn8 h LEU 59 Cb 0.64 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1xn8 h LEU 59 CO -0.23 0.61 0.46 0.00 -0.34 0.00 0.00 178.44 178.94 1xn8 h ALA 60 N 0.55 1.01 -0.35 1.25 0.00 0.40 0.94 119.26 123.06 1xn8 h ALA 60 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1xn8 h ALA 60 Cb 0.57 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xn8 h ALA 60 CO 0.02 0.19 -0.40 1.25 0.00 0.00 0.00 179.25 180.30 1xn8 h LEU 61 N 0.85 0.96 -0.85 0.00 7.12 0.23 0.27 115.31 123.90 1xn8 h LEU 61 Ca 0.32 -0.48 -0.05 0.00 0.13 0.00 0.00 57.88 57.80 1xn8 h LEU 61 Cb 0.12 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 39.95 1xn8 h LEU 61 CO -0.15 1.25 0.26 -0.07 -0.13 0.00 0.00 178.44 179.60 1xn8 h LEU 62 N 0.69 1.03 0.12 2.25 3.38 0.11 1.47 115.31 124.36 1xn8 h LEU 62 Ca 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1xn8 h LEU 62 Cb 1.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1xn8 h LEU 62 CO 0.10 0.94 -0.06 0.11 0.09 0.00 0.00 178.44 179.62 1xn8 h LYS 63 N 1.08 -0.15 -0.22 1.13 1.57 0.10 0.18 116.57 120.25 1xn8 h LYS 63 Ca 0.24 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1xn8 h LYS 63 Cb 0.25 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1xn8 h LYS 63 CO -0.01 0.30 0.14 -0.07 -0.57 0.00 0.00 179.45 179.24 1xn8 h LEU 64 N -0.70 0.26 -0.93 2.94 3.38 -0.32 0.58 115.31 120.52 1xn8 h LEU 64 Ca -0.02 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1xn8 h LEU 64 Cb 0.53 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1xn8 h LEU 64 CO 0.03 0.20 0.60 -1.28 0.09 0.00 0.00 178.44 178.07 1xn8 h SER 65 N 0.29 0.97 -0.34 -0.43 0.87 0.20 -0.81 113.55 114.30 1xn8 h SER 65 Ca 0.08 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 1xn8 h SER 65 Cb -0.02 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1xn8 h SER 65 CO -0.02 0.64 -0.28 -0.61 -0.53 0.00 0.00 176.83 176.03 1xn8 h GLN 66 N 1.12 0.79 0.32 2.24 4.15 -0.28 0.22 115.11 123.66 1xn8 h GLN 66 Ca 0.39 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1xn8 h GLN 66 Cb 0.09 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1xn8 h GLN 66 CO -0.15 1.03 -0.38 0.35 -1.93 0.00 0.00 178.83 177.74 1xn8 h PHE 67 N 0.57 -1.05 -0.18 3.99 3.57 0.98 0.74 116.94 125.55 1xn8 h PHE 67 Ca 0.06 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1xn8 h PHE 67 Cb 0.86 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 1xn8 h PHE 67 CO 0.07 -0.52 -0.05 1.88 -2.23 0.00 0.00 178.31 177.45 1xn8 h TYR 68 N -0.75 0.40 -0.37 0.41 0.05 -1.22 -1.02 116.97 114.48 1xn8 h TYR 68 Ca -0.02 -0.09 0.09 0.00 0.05 0.00 0.00 58.73 58.76 1xn8 h TYR 68 Cb 0.69 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 1xn8 h TYR 68 CO -0.24 0.62 0.26 0.00 -1.05 0.00 0.00 178.16 177.74 1xn8 h ALA 69 N 0.72 2.20 -0.01 3.88 0.00 -0.42 1.11 119.26 126.73 1xn8 h ALA 69 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xn8 h ALA 69 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xn8 h ALA 69 CO 0.02 -0.30 -0.08 1.25 0.00 0.00 0.00 179.25 180.14 1xn8 h LEU 70 N 0.11 0.10 -3.10 0.00 5.85 0.83 -3.14 115.31 115.96 1xn8 h LEU 70 Ca 0.17 -0.68 -0.24 0.00 0.84 0.00 0.00 57.88 57.97 1xn8 h LEU 70 Cb 0.54 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.40 1xn8 h LEU 70 CO -0.02 0.77 0.31 2.30 -0.34 0.00 0.00 178.44 181.45 1xn8 n ILE 71 N -4.67 2.24 -0.05 4.05 -5.35 -0.42 -3.16 119.36 112.00 1xn8 n ILE 71 Ca -0.09 -1.14 -0.01 0.00 -0.27 0.00 0.00 62.75 61.24 1xn8 n ILE 71 Cb 0.38 -0.58 -0.14 0.00 -1.74 0.00 0.00 39.64 37.57 1xn8 n ILE 71 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1xn8 n ASN 72 N -0.29 0.75 -2.69 7.28 3.02 0.37 -4.79 115.26 118.91 1xn8 n ASN 72 Ca 0.33 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.82 1xn8 n ASN 72 Cb 1.15 1.31 0.09 0.00 -0.61 0.00 0.00 39.78 41.72 1xn8 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xn8 n GLY 73 N 1.73 -0.18 3.21 7.41 0.00 -1.24 -5.03 105.19 111.08 1xn8 n GLY 73 Ca -0.18 0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1xn8 n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xn8 s ASP 74 N -0.75 5.16 -1.59 1.61 -1.08 -1.19 -4.68 116.67 114.15 1xn8 s ASP 74 Ca 0.19 -1.38 -0.13 0.00 -0.52 0.00 0.00 52.55 50.70 1xn8 s ASP 74 Cb 0.28 -1.81 0.13 0.00 -1.46 0.00 0.00 42.92 40.06 1xn8 s ASP 74 CO -0.10 -0.36 0.33 1.21 0.52 0.00 0.00 175.17 176.77 1xn8 n GLU 75 N 4.70 -0.82 -3.75 4.34 4.07 -1.26 -0.24 120.64 127.68 1xn8 n GLU 75 Ca -0.11 0.11 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 1xn8 n GLU 75 Cb 0.43 -3.87 0.01 0.00 -0.06 0.00 0.00 31.44 27.96 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1xn8 n SER 76 N -2.32 -5.13 -4.33 4.31 7.64 -1.26 -4.86 113.62 107.67 1xn8 n SER 76 Ca -0.05 -0.95 -0.33 0.00 1.01 0.00 0.00 58.87 58.55 1xn8 n SER 76 Cb 0.49 -2.43 0.15 0.00 -1.01 0.00 0.00 64.21 61.41 1xn8 n SER 76 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xn8 n ILE 77 N -3.40 0.00 -2.62 0.44 5.41 0.66 -4.85 119.36 115.00 1xn8 n ILE 77 Ca -0.19 -0.25 -0.43 0.00 1.00 0.00 0.00 62.75 62.88 1xn8 n ILE 77 Cb 0.62 -0.59 -0.02 0.00 -0.71 0.00 0.00 39.64 38.94 1xn8 n ILE 77 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1xn8 s ILE 78 N -2.30 4.45 -0.32 1.39 1.01 -0.75 -4.96 121.20 119.72 1xn8 s ILE 78 Ca 0.56 1.66 -0.02 0.00 0.00 0.00 0.00 60.65 62.85 1xn8 s ILE 78 Cb -0.16 -4.41 0.12 0.00 0.01 0.00 0.00 42.46 38.03 1xn8 s ILE 78 CO 0.67 -0.52 0.17 -0.54 0.00 0.00 0.00 174.94 174.72 1xn8 s LYS 79 N 3.76 0.38 -0.12 2.79 1.02 -1.26 -1.01 119.74 125.31 1xn8 s LYS 79 Ca 0.47 -0.93 -0.03 0.00 0.02 0.00 0.00 55.97 55.50 1xn8 s LYS 79 Cb -0.12 -1.26 0.05 0.00 -0.52 0.00 0.00 37.83 35.97 1xn8 s LYS 79 CO 0.17 -1.11 0.06 0.20 -0.92 0.00 0.00 175.35 173.75 1xn8 s GLY 80 N 1.60 0.38 0.03 -3.33 0.00 -1.25 -4.78 107.32 99.96 1xn8 s GLY 80 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1xn8 s GLY 80 CO -0.19 1.48 0.00 1.58 0.00 0.00 0.00 173.10 175.97 1xn8 n TYR 81 N 5.23 -1.39 -1.61 1.90 4.11 -1.26 -4.96 117.16 119.17 1xn8 n TYR 81 Ca -0.06 0.09 0.00 0.00 -0.00 0.00 0.00 57.90 57.93 1xn8 n TYR 81 Cb 0.49 0.44 0.00 0.00 -0.00 0.00 0.00 39.34 40.28 1xn8 n TYR 81 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 1xn8 n THR 82 N -2.34 0.00 -1.19 -3.48 -1.04 -1.26 -5.14 114.28 99.82 1xn8 n THR 82 Ca 0.00 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.16 1xn8 n THR 82 Cb 0.00 0.60 -0.05 0.00 -1.82 0.00 0.00 70.33 69.06 1xn8 n THR 82 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1xn8 n THR 83 N 0.00 0.00 -1.57 12.58 -1.04 -1.26 -4.99 114.28 118.00 1xn8 n THR 83 Ca 0.00 0.20 0.03 0.00 -2.04 0.00 0.00 64.05 62.23 1xn8 n THR 83 Cb 0.59 -0.58 -0.02 0.00 -1.82 0.00 0.00 70.33 68.50 1xn8 n THR 83 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1xn8 n GLU 84 N -3.63 -3.94 -2.55 -2.82 4.07 -1.26 -4.65 120.64 105.87 1xn8 n GLU 84 Ca -0.01 3.08 -0.43 0.00 -0.06 0.00 0.00 57.16 59.74 1xn8 n GLU 84 Cb 0.64 -3.96 -0.02 0.00 -0.06 0.00 0.00 31.44 28.04 1xn8 n GLU 84 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1xn8 s LYS 85 N -5.24 3.71 0.00 5.31 -2.85 -1.26 -4.94 119.74 114.48 1xn8 s LYS 85 Ca 0.00 0.68 0.00 0.00 -1.00 0.00 0.00 55.97 55.65 1xn8 s LYS 85 Cb 0.00 -3.92 0.00 0.00 -2.06 0.00 0.00 37.83 31.85 1xn8 s LYS 85 CO 0.00 -1.39 0.00 -0.89 0.10 0.00 0.00 175.35 173.17 1xn8 n ILE 86 N 6.84 0.00 0.00 3.79 5.41 -1.26 -5.17 119.36 128.96 1xn8 n ILE 86 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 1xn8 n ILE 86 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.42 1xn8 n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xn8 n GLY 87 N 2.82 1.16 7.00 7.39 0.00 -1.26 -5.08 105.19 117.23 1xn8 n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xn8 n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xn8 n ASP 88 N 0.00 -0.89 -4.19 1.61 -0.08 -1.26 -4.61 116.55 107.13 1xn8 n ASP 88 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 1xn8 n ASP 88 Cb 0.00 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.30 1xn8 n ASP 88 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1xn8 s TYR 89 N 0.00 2.73 0.00 -0.67 2.02 -1.26 -4.90 117.35 115.26 1xn8 s TYR 89 Ca 0.00 -1.30 0.00 0.00 -0.37 0.00 0.00 57.07 55.40 1xn8 s TYR 89 Cb 0.00 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1xn8 s TYR 89 CO 0.00 -0.61 0.00 0.43 -1.57 0.00 0.00 175.55 173.80 1xn8 n SER 90 N 4.19 0.00 -3.61 2.29 7.64 -1.26 -5.07 113.62 117.80 1xn8 n SER 90 Ca -0.20 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.40 1xn8 n SER 90 Cb 0.51 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.62 1xn8 n SER 90 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xn8 n TYR 91 N 0.00 3.52 -2.14 1.43 4.02 -1.25 -3.91 117.16 118.83 1xn8 n TYR 91 Ca 0.00 -4.18 -0.41 0.00 -0.01 0.00 0.00 57.90 53.30 1xn8 n TYR 91 Cb 0.00 -0.61 -0.02 0.00 -0.02 0.00 0.00 39.34 38.68 1xn8 n TYR 91 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1xn8 s THR 92 N -2.13 2.87 0.78 -0.72 2.01 -0.18 -3.52 115.64 114.76 1xn8 s THR 92 Ca 0.34 0.80 -0.09 0.00 0.31 0.00 0.00 61.69 63.05 1xn8 s THR 92 Cb 0.08 -3.51 0.10 0.00 0.01 0.00 0.00 72.50 69.18 1xn8 s THR 92 CO -0.07 0.16 1.11 -0.76 -0.69 0.00 0.00 174.62 174.37 1xn8 s LEU 93 N -0.97 2.74 0.33 4.42 1.43 0.44 -1.82 118.68 125.25 1xn8 s LEU 93 Ca 0.53 0.40 0.26 0.00 -1.03 0.00 0.00 54.13 54.30 1xn8 s LEU 93 Cb -0.39 -2.86 1.02 0.00 0.03 0.00 0.00 46.19 44.00 1xn8 s LEU 93 CO 0.46 -1.93 1.78 1.23 0.23 0.00 0.00 176.35 178.12 1xn8 h GLY 94 N -0.92 0.00 -1.69 -3.19 0.00 -1.95 -1.84 103.07 93.48 1xn8 h GLY 94 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1xn8 h GLY 94 CO 0.55 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.43 1xn8 n ASP 95 N -2.48 2.48 -0.48 0.19 -0.08 -1.26 -4.87 116.55 110.05 1xn8 n ASP 95 Ca 0.02 -1.99 -0.06 0.00 -1.51 0.00 0.00 54.79 51.25 1xn8 n ASP 95 Cb 0.29 -0.30 -0.03 0.00 2.34 0.00 0.00 41.12 43.42 1xn8 n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xn8 n GLY 96 N 1.24 0.83 3.95 0.27 0.00 -0.69 -5.02 105.19 105.76 1xn8 n GLY 96 Ca 0.16 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 1xn8 n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xn8 s SER 97 N -2.93 6.31 -0.64 1.61 0.01 -1.25 -4.81 113.70 112.00 1xn8 s SER 97 Ca 0.00 0.36 -0.01 0.00 1.31 0.00 0.00 55.95 57.62 1xn8 s SER 97 Cb 0.00 -1.99 0.16 0.00 0.21 0.00 0.00 66.02 64.40 1xn8 s SER 97 CO 0.00 -0.22 0.44 -0.94 0.41 0.00 0.00 173.24 172.93 1xn8 s SER 98 N -3.92 5.07 -0.36 2.44 1.04 -1.26 0.17 113.70 116.88 1xn8 s SER 98 Ca 0.38 -3.06 -0.27 0.00 0.48 0.00 0.00 55.95 53.48 1xn8 s SER 98 Cb -0.10 -1.80 -0.05 0.00 0.10 0.00 0.00 66.02 64.18 1xn8 s SER 98 CO 0.34 -0.30 2.21 -0.22 0.98 0.00 0.00 173.24 176.25 1xn8 s LEU 99 N -0.36 3.42 0.28 2.42 2.96 -1.23 -4.94 118.68 121.23 1xn8 s LEU 99 Ca 0.19 1.42 0.06 0.00 -0.22 0.00 0.00 54.13 55.58 1xn8 s LEU 99 Cb -0.19 -3.09 -0.02 0.00 0.50 0.00 0.00 46.19 43.39 1xn8 s LEU 99 CO -0.04 -2.29 0.38 -1.10 -1.32 0.00 0.00 176.35 171.97 1xn8 s GLN 100 N 7.00 3.23 0.43 1.98 1.11 -1.26 -4.73 119.66 127.42 1xn8 s GLN 100 Ca 0.95 -0.91 -0.20 0.00 0.01 0.00 0.00 55.36 55.20 1xn8 s GLN 100 Cb -0.25 -2.81 -0.15 0.00 -1.01 0.00 0.00 33.01 28.80 1xn8 s GLN 100 CO 0.31 0.28 0.11 1.63 0.01 0.00 0.00 175.29 177.62 1xn8 n LYS 101 N -1.47 0.08 -1.52 2.91 5.02 -1.26 -4.93 118.16 116.99 1xn8 n LYS 101 Ca -0.05 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 1xn8 n LYS 101 Cb 0.58 -1.08 0.19 0.00 -0.02 0.00 0.00 35.03 34.69 1xn8 n LYS 101 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xn8 s PRO 102 N -1.11 0.13 -1.00 1.97 0.04 -1.26 -4.98 135.00 128.79 1xn8 s PRO 102 Ca 0.60 -0.09 -0.03 0.00 0.04 0.00 0.00 61.00 61.51 1xn8 s PRO 102 Cb -0.60 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 32.47 1xn8 s PRO 102 CO 0.63 -2.80 1.25 -0.25 0.04 0.00 0.00 177.00 175.86 1xn8 n ASP 103 N -4.11 5.68 -1.10 6.66 8.00 -1.26 -4.71 116.55 125.71 1xn8 n ASP 103 Ca 0.12 -3.34 0.03 0.00 0.71 0.00 0.00 54.79 52.31 1xn8 n ASP 103 Cb 0.59 -1.17 0.24 0.00 -0.02 0.00 0.00 41.12 40.77 1xn8 n ASP 103 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1xn8 n VAL 104 N 1.54 2.45 -0.07 2.53 0.24 -1.26 -4.59 118.33 119.16 1xn8 n VAL 104 Ca 0.26 -2.11 -0.13 0.00 -2.04 0.00 0.00 64.34 60.32 1xn8 n VAL 104 Cb 0.36 -0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 32.38 1xn8 n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1xn8 h TYR 105 N 1.62 0.58 0.00 6.34 5.03 -1.98 -1.62 116.97 126.94 1xn8 h TYR 105 Ca 0.10 -0.16 -0.05 0.00 2.58 0.00 0.00 58.73 61.20 1xn8 h TYR 105 Cb 1.62 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.77 1xn8 h TYR 105 CO 0.74 0.82 -0.22 0.00 -1.32 0.00 0.00 178.16 178.18 1xn8 h ALA 106 N 0.67 1.20 -0.16 1.82 0.00 -1.97 1.15 119.26 121.97 1xn8 h ALA 106 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1xn8 h ALA 106 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xn8 h ALA 106 CO 0.04 0.28 -0.31 -0.07 0.00 0.00 0.00 179.25 179.19 1xn8 h LEU 107 N 0.00 0.55 0.00 0.00 3.38 -1.80 -3.08 115.31 114.36 1xn8 h LEU 107 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1xn8 h LEU 107 Cb 0.57 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1xn8 h LEU 107 CO 0.03 1.00 -0.36 0.16 0.09 0.00 0.00 178.44 179.37 1xn8 h ILE 108 N 0.13 0.00 -0.01 1.22 3.07 -0.92 -3.22 117.51 117.78 1xn8 h ILE 108 Ca 0.01 -0.94 0.00 0.00 1.55 0.00 0.00 64.86 65.48 1xn8 h ILE 108 Cb 0.91 1.75 -0.00 0.00 -0.27 0.00 0.00 36.82 39.21 1xn8 h ILE 108 CO 0.07 0.00 0.19 0.50 -1.05 0.00 0.00 178.15 177.86 1xn8 h LYS 109 N 0.00 0.00 -0.53 0.16 3.64 0.15 0.18 116.57 120.17 1xn8 h LYS 109 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1xn8 h LYS 109 Cb 0.97 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1xn8 h LYS 109 CO 0.00 0.00 0.23 -0.44 -2.27 0.00 0.00 179.45 176.97 1xn8 h ASP 110 N 0.00 0.71 -0.90 4.20 5.19 -1.62 -3.15 116.42 120.85 1xn8 h ASP 110 Ca 0.01 -0.15 -0.53 0.00 -0.62 0.00 0.00 57.03 55.73 1xn8 h ASP 110 Cb 0.39 -0.18 -0.42 0.00 0.18 0.00 0.00 39.33 39.29 1xn8 h ASP 110 CO -0.00 0.67 -0.83 -1.22 -3.12 0.00 0.00 179.24 174.74 1xn8 n TYR 111 N -4.55 2.74 -2.70 4.55 4.02 0.46 -5.04 117.16 116.64 1xn8 n TYR 111 Ca 0.02 -2.42 -0.42 0.00 -0.01 0.00 0.00 57.90 55.07 1xn8 n TYR 111 Cb 0.14 -0.28 -0.03 0.00 -0.02 0.00 0.00 39.34 39.16 1xn8 n TYR 111 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1xn8 s VAL 112 N -4.71 4.82 -0.42 -0.72 1.01 -0.23 -4.21 120.40 115.95 1xn8 s VAL 112 Ca 0.48 2.04 -0.25 0.00 0.00 0.00 0.00 61.98 64.25 1xn8 s VAL 112 Cb 0.40 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 32.51 1xn8 s VAL 112 CO -0.02 0.11 0.59 1.17 0.00 0.00 0.00 175.10 176.95 1xn8 n LYS 113 N 4.23 -2.18 -2.45 2.72 3.00 -1.21 -4.87 118.16 117.39 1xn8 n LYS 113 Ca 0.07 1.82 -0.42 0.00 -0.00 0.00 0.00 58.31 59.77 1xn8 n LYS 113 Cb 0.50 -3.99 -0.03 0.00 0.00 0.00 0.00 35.03 31.51 1xn8 n LYS 113 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1xn8 s PRO 114 N -2.46 4.40 -0.53 1.64 0.04 -1.26 -4.97 135.00 131.86 1xn8 s PRO 114 Ca 0.29 1.71 0.07 0.00 0.04 0.00 0.00 61.00 63.11 1xn8 s PRO 114 Cb -0.05 -3.45 0.24 0.00 0.04 0.00 0.00 34.50 31.28 1xn8 s PRO 114 CO 0.79 -0.33 0.63 0.00 0.04 0.00 0.00 177.00 178.13 1xn8 n ALA 115 N 4.51 3.32 -3.67 8.56 0.00 -1.26 -5.04 120.51 126.93 1xn8 n ALA 115 Ca 0.10 -4.13 -0.21 0.00 0.00 0.00 0.00 53.44 49.20 1xn8 n ALA 115 Cb 0.47 -0.86 -0.18 0.00 0.00 0.00 0.00 19.45 18.87 1xn8 n ALA 115 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xn8 s ASP 116 N -1.81 1.24 0.14 0.00 2.15 -1.26 -5.15 116.67 111.98 1xn8 s ASP 116 Ca 0.37 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.37 1xn8 s ASP 116 Cb 0.15 -0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.61 1xn8 s ASP 116 CO -0.06 -0.26 0.00 -0.81 -0.17 0.00 0.00 175.17 173.87 1xn8 n PRO 117 N 5.29 0.79 -1.06 4.34 -0.04 -1.26 -4.87 135.00 138.19 1xn8 n PRO 117 Ca -0.03 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.25 1xn8 n PRO 117 Cb 0.50 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 1xn8 n PRO 117 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xn8 n ASP 118 N -0.43 6.14 0.08 3.54 2.03 -1.26 -4.14 116.55 122.52 1xn8 n ASP 118 Ca 0.00 -2.94 0.12 0.00 0.52 0.00 0.00 54.79 52.49 1xn8 n ASP 118 Cb 0.00 -1.18 0.19 0.00 -0.72 0.00 0.00 41.12 39.41 1xn8 n ASP 118 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1xn8 h LEU 119 N 3.44 0.00 -8.58 -2.67 8.10 -2.01 -3.47 115.31 110.12 1xn8 h LEU 119 Ca 0.27 -0.15 -0.54 0.00 0.11 0.00 0.00 57.88 57.57 1xn8 h LEU 119 Cb 0.95 0.00 0.21 0.00 -0.44 0.00 0.00 40.66 41.38 1xn8 h LEU 119 CO 0.62 0.08 -1.53 1.21 -4.11 0.00 0.00 178.44 174.71 1xn8 n GLU 120 N -2.23 0.00 -1.52 0.17 2.13 -1.26 -4.45 120.64 113.49 1xn8 n GLU 120 Ca 0.03 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.71 1xn8 n GLU 120 Cb 0.45 -0.95 -0.11 0.00 0.27 0.00 0.00 31.44 31.10 1xn8 n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xn8 n GLY 121 N 2.99 -0.27 3.33 8.31 0.00 -1.26 -4.85 105.19 113.44 1xn8 n GLY 121 Ca 0.02 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1xn8 n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xn8 s ILE 122 N 11.28 1.75 0.00 -0.61 1.01 -1.26 -4.66 121.20 128.70 1xn8 s ILE 122 Ca 0.93 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1xn8 s ILE 122 Cb -0.26 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1xn8 s ILE 122 CO 0.20 -0.40 0.00 1.21 0.00 0.00 0.00 174.94 175.94 1xn8 n GLU 123 N 0.13 -0.81 -0.10 2.79 2.13 -1.26 -4.81 120.64 118.71 1xn8 n GLU 123 Ca -0.12 0.20 -0.15 0.00 0.66 0.00 0.00 57.16 57.75 1xn8 n GLU 123 Cb 0.58 -3.96 -0.05 0.00 0.27 0.00 0.00 31.44 28.27 1xn8 n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xn8 n ALA 124 N 1.00 0.87 -0.02 4.31 0.00 -1.26 -3.44 120.51 121.97 1xn8 n ALA 124 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 53.44 52.56 1xn8 n ALA 124 Cb 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 1xn8 n ALA 124 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xn8 h LYS 125 N -1.00 0.02 0.03 0.00 3.64 -1.87 -2.18 116.57 115.22 1xn8 h LYS 125 Ca -0.22 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1xn8 h LYS 125 Cb 1.10 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1xn8 h LYS 125 CO -0.13 0.02 -0.15 0.28 -2.27 0.00 0.00 179.45 177.19 1xn8 h VAL 126 N 0.03 0.64 -0.94 2.00 2.07 -1.96 0.64 116.25 118.73 1xn8 h VAL 126 Ca 0.07 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.86 1xn8 h VAL 126 Cb 0.10 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1xn8 h VAL 126 CO -0.14 0.00 0.86 0.03 0.02 0.00 0.00 177.57 178.34 1xn8 h ARG 127 N -0.27 0.00 0.00 1.57 3.08 -1.47 0.59 114.38 117.88 1xn8 h ARG 127 Ca 0.04 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.89 1xn8 h ARG 127 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1xn8 h ARG 127 CO -0.13 0.00 -1.23 -1.33 -1.07 0.00 0.00 179.97 176.21 1xn8 n MET 128 N -3.73 0.54 -0.07 0.04 2.81 0.09 -4.07 117.12 112.73 1xn8 n MET 128 Ca 0.20 0.52 0.23 0.00 -1.81 0.00 0.00 57.70 56.84 1xn8 n MET 128 Cb 1.17 -1.69 0.69 0.00 -0.71 0.00 0.00 33.22 32.68 1xn8 n MET 128 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1xn8 h ARG 129 N -1.00 0.02 -2.27 0.03 1.12 0.18 -1.70 114.38 110.76 1xn8 h ARG 129 Ca -0.30 -0.00 -0.70 0.00 -1.11 0.00 0.00 59.98 57.86 1xn8 h ARG 129 Cb 1.15 -0.00 -0.34 0.00 -0.01 0.00 0.00 29.97 30.76 1xn8 h ARG 129 CO -0.18 0.01 0.24 0.43 -3.11 0.00 0.00 179.97 177.36 1xn8 n SER 130 N -4.35 5.99 0.00 -3.80 7.64 0.19 -5.06 113.62 114.24 1xn8 n SER 130 Ca 0.13 -3.69 0.00 0.00 1.01 0.00 0.00 58.87 56.32 1xn8 n SER 130 Cb 0.73 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03