#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 0.97 0.00 3.17 -0.00 -1.26 -5.02 117.00 114.86 1xn8 n LEU 2 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 1xn8 n LEU 2 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 1xn8 n LEU 2 CO 0.00 0.28 0.00 -0.11 -0.00 0.00 0.00 177.39 177.56 1xn8 n LEU 3 N -3.56 0.00 -4.93 -1.96 7.94 -1.26 -5.10 117.00 108.13 1xn8 n LEU 3 Ca -0.25 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.39 1xn8 n LEU 3 Cb 0.68 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.72 1xn8 n LEU 3 CO 0.02 0.00 0.65 0.27 -1.11 0.00 0.00 177.39 177.22 1xn8 s ILE 4 N 0.00 2.21 0.10 1.96 -4.36 -1.26 -5.09 121.20 114.75 1xn8 s ILE 4 Ca 0.00 -0.25 0.06 0.00 -0.26 0.00 0.00 60.65 60.20 1xn8 s ILE 4 Cb 0.00 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.72 1xn8 s ILE 4 CO 0.00 0.00 -0.07 0.28 0.24 0.00 0.00 174.94 175.39 1xn8 s THR 5 N -3.34 3.54 -0.16 8.37 -1.32 -1.26 -5.01 115.64 116.46 1xn8 s THR 5 Ca 0.63 -1.20 0.28 0.00 -1.21 0.00 0.00 61.69 60.19 1xn8 s THR 5 Cb -0.09 -2.67 0.37 0.00 -1.51 0.00 0.00 72.50 68.59 1xn8 s THR 5 CO 0.46 0.11 1.80 1.55 -2.21 0.00 0.00 174.62 176.33 1xn8 h PRO 6 N 3.55 0.00 -0.04 7.08 0.13 -1.90 -2.89 132.00 137.94 1xn8 h PRO 6 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1xn8 h PRO 6 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1xn8 h PRO 6 CO 0.54 0.00 -0.41 0.22 -0.23 0.00 0.00 178.00 178.12 1xn8 h ASP 7 N 0.00 0.08 0.42 1.44 1.82 -1.95 -2.71 116.42 115.53 1xn8 h ASP 7 Ca -0.00 -0.03 -0.24 0.00 -0.39 0.00 0.00 57.03 56.37 1xn8 h ASP 7 Cb 0.75 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1xn8 h ASP 7 CO 0.00 0.49 -1.03 -0.33 -1.61 0.00 0.00 179.24 176.76 1xn8 h GLU 8 N 0.07 0.37 -0.42 0.28 4.39 -1.93 -2.48 114.58 114.84 1xn8 h GLU 8 Ca 0.00 -0.45 0.08 0.00 0.34 0.00 0.00 59.36 59.34 1xn8 h GLU 8 Cb 0.76 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.48 1xn8 h GLU 8 CO 0.06 1.14 -0.01 1.25 -1.16 0.00 0.00 179.01 180.28 1xn8 h LEU 9 N 0.18 -0.20 -0.76 1.33 5.85 -1.43 0.16 115.31 120.45 1xn8 h LEU 9 Ca -0.10 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 1xn8 h LEU 9 Cb 1.69 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 1xn8 h LEU 9 CO 0.17 -0.06 -0.46 0.07 -0.34 0.00 0.00 178.44 177.83 1xn8 h LYS 10 N 0.10 0.37 -0.32 1.25 2.10 -1.57 0.36 116.57 118.86 1xn8 h LYS 10 Ca 0.21 -0.20 0.02 0.00 -2.00 0.00 0.00 60.65 58.68 1xn8 h LYS 10 Cb 0.30 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.63 1xn8 h LYS 10 CO -0.36 0.76 0.22 1.03 -2.00 0.00 0.00 179.45 179.10 1xn8 h SER 11 N 0.30 0.29 0.08 7.07 0.87 -0.44 -2.83 113.55 118.91 1xn8 h SER 11 Ca 0.02 -0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.22 1xn8 h SER 11 Cb 0.92 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.79 1xn8 h SER 11 CO 0.08 0.20 -1.98 0.00 -0.53 0.00 0.00 176.83 174.60 1xn8 n TYR 12 N -4.49 0.99 -2.75 2.24 9.36 0.33 -4.86 117.16 117.98 1xn8 n TYR 12 Ca 0.03 0.24 -0.42 0.00 3.32 0.00 0.00 57.90 61.07 1xn8 n TYR 12 Cb 0.14 -1.12 -0.03 0.00 -0.63 0.00 0.00 39.34 37.70 1xn8 n TYR 12 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1xn8 s SER 13 N -6.96 7.20 -0.63 2.98 0.15 0.12 -4.93 113.70 111.63 1xn8 s SER 13 Ca -0.26 1.47 -0.02 0.00 0.70 0.00 0.00 55.95 57.84 1xn8 s SER 13 Cb 0.07 -2.53 0.37 0.00 -1.71 0.00 0.00 66.02 62.22 1xn8 s SER 13 CO 0.71 -0.40 2.08 1.33 1.20 0.00 0.00 173.24 178.16 1xn8 n VAL 14 N 4.45 3.47 -4.60 4.45 0.24 -1.26 -4.61 118.33 120.47 1xn8 n VAL 14 Ca 0.07 -3.00 -0.33 0.00 -2.04 0.00 0.00 64.34 59.04 1xn8 n VAL 14 Cb 0.49 -1.23 -0.15 0.00 -1.47 0.00 0.00 33.84 31.48 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 -3.42 2.79 -0.13 6.34 0.08 -1.26 -4.98 117.98 117.40 1xn8 s PHE 15 Ca 0.57 -0.92 0.27 0.00 0.12 0.00 0.00 56.93 56.97 1xn8 s PHE 15 Cb 0.45 -1.88 1.32 0.00 -0.57 0.00 0.00 43.02 42.34 1xn8 s PHE 15 CO -0.10 -0.40 1.83 1.49 -0.10 0.00 0.00 175.22 177.93 1xn8 h GLU 16 N 7.15 0.00 -0.31 0.44 4.81 -1.99 -1.82 114.58 122.87 1xn8 h GLU 16 Ca -0.30 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.78 1xn8 h GLU 16 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1xn8 h GLU 16 CO 0.56 0.00 -0.40 0.77 -0.73 0.00 0.00 179.01 179.22 1xn8 h SER 17 N 0.00 0.88 0.51 1.04 0.02 -1.90 0.27 113.55 114.36 1xn8 h SER 17 Ca 0.00 -0.50 -0.19 0.00 -0.84 0.00 0.00 61.79 60.26 1xn8 h SER 17 Cb 0.19 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1xn8 h SER 17 CO 0.00 1.20 -0.84 0.58 -1.14 0.00 0.00 176.83 176.63 1xn8 h VAL 18 N 0.58 1.46 0.30 2.27 2.07 -1.54 -2.97 116.25 118.41 1xn8 h VAL 18 Ca 0.04 -2.48 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 1xn8 h VAL 18 Cb 0.99 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1xn8 h VAL 18 CO 0.09 0.73 -0.14 0.11 0.02 0.00 0.00 177.57 178.38 1xn8 h LYS 19 N 0.14 -0.39 -0.11 1.57 6.56 -1.33 -2.80 116.57 120.21 1xn8 h LYS 19 Ca -0.04 0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.61 1xn8 h LYS 19 Cb 1.45 0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 33.19 1xn8 h LYS 19 CO 0.13 -0.05 0.42 0.00 -2.06 0.00 0.00 179.45 177.90 1xn8 h THR 20 N -0.85 0.08 -3.85 -0.16 1.03 -0.54 -3.41 112.91 105.21 1xn8 h THR 20 Ca -0.04 0.00 -0.50 0.00 -0.01 0.00 0.00 66.41 65.86 1xn8 h THR 20 Cb 0.52 0.60 0.02 0.00 -1.07 0.00 0.00 68.15 68.22 1xn8 h THR 20 CO 0.07 0.00 0.47 -0.60 -0.01 0.00 0.00 175.52 175.45 1xn8 s ARG 21 N -4.20 4.47 0.52 0.00 6.06 -1.06 -5.02 118.95 119.72 1xn8 s ARG 21 Ca -0.03 1.78 -0.19 0.00 -2.50 0.00 0.00 55.73 54.79 1xn8 s ARG 21 Cb 0.10 -3.00 -0.07 0.00 0.06 0.00 0.00 34.95 32.03 1xn8 s ARG 21 CO 0.31 0.07 1.04 -1.25 -2.50 0.00 0.00 175.30 172.97 1xn8 s PRO 22 N -1.76 3.65 0.53 5.12 0.04 -1.26 -4.81 135.00 136.50 1xn8 s PRO 22 Ca 0.49 1.29 0.26 0.00 0.04 0.00 0.00 61.00 63.08 1xn8 s PRO 22 Cb -0.30 -2.08 1.47 0.00 0.04 0.00 0.00 34.50 33.63 1xn8 s PRO 22 CO 0.39 -0.55 2.10 -0.44 0.04 0.00 0.00 177.00 178.54 1xn8 h ASP 23 N 1.15 0.00 0.52 6.66 3.32 -1.95 0.63 116.42 126.75 1xn8 h ASP 23 Ca -0.48 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.46 1xn8 h ASP 23 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1xn8 h ASP 23 CO 0.59 0.10 -0.50 1.05 -1.72 0.00 0.00 179.24 178.76 1xn8 h GLU 24 N 0.00 0.00 0.03 3.56 4.11 -2.01 -2.72 114.58 117.56 1xn8 h GLU 24 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.12 1xn8 h GLU 24 Cb 0.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1xn8 h GLU 24 CO 0.01 0.50 -1.73 1.28 0.07 0.00 0.00 179.01 179.14 1xn8 n LEU 25 N -3.92 2.15 -0.31 3.06 4.77 -0.27 -3.59 117.00 118.89 1xn8 n LEU 25 Ca -0.01 0.32 0.15 0.00 -0.03 0.00 0.00 56.01 56.44 1xn8 n LEU 25 Cb 0.52 -0.98 0.32 0.00 -2.33 0.00 0.00 43.42 40.94 1xn8 n LEU 25 CO 0.40 0.52 0.91 -0.07 -1.33 0.00 0.00 177.39 177.82 1xn8 h LEU 26 N -0.65 -0.13 0.28 2.23 3.38 0.15 1.16 115.31 121.73 1xn8 h LEU 26 Ca -0.44 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1xn8 h LEU 26 Cb 1.58 0.34 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1xn8 h LEU 26 CO -0.16 -0.25 -0.14 0.07 0.09 0.00 0.00 178.44 178.05 1xn8 h LYS 27 N 0.12 -0.37 -0.90 1.13 2.10 -1.65 0.30 116.57 117.30 1xn8 h LYS 27 Ca 0.60 0.02 0.12 0.00 -2.00 0.00 0.00 60.65 59.39 1xn8 h LYS 27 Cb 1.26 0.08 -0.08 0.00 -0.90 0.00 0.00 32.23 32.59 1xn8 h LYS 27 CO -0.76 -0.11 0.53 1.96 -2.00 0.00 0.00 179.45 179.07 1xn8 h GLN 28 N -0.58 0.80 -0.08 0.07 4.20 -0.27 0.38 115.11 119.63 1xn8 h GLN 28 Ca -0.04 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1xn8 h GLN 28 Cb 0.42 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1xn8 h GLN 28 CO 0.06 0.53 -0.27 -0.44 -0.67 0.00 0.00 178.83 178.04 1xn8 h ASP 29 N 0.83 0.14 0.01 1.46 3.32 0.13 0.10 116.42 122.40 1xn8 h ASP 29 Ca 0.46 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.47 1xn8 h ASP 29 Cb 0.50 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1xn8 h ASP 29 CO -0.29 0.41 -0.00 0.40 -1.72 0.00 0.00 179.24 178.05 1xn8 h ILE 30 N 0.13 1.38 -0.26 0.35 2.04 0.18 -2.80 117.51 118.51 1xn8 h ILE 30 Ca 0.02 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1xn8 h ILE 30 Cb 0.56 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1xn8 h ILE 30 CO 0.04 0.29 0.04 -0.07 0.00 0.00 0.00 178.15 178.46 1xn8 h LEU 31 N -0.49 0.34 -1.70 1.44 3.38 -0.48 -1.00 115.31 116.81 1xn8 h LEU 31 Ca -0.00 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1xn8 h LEU 31 Cb 0.49 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1xn8 h LEU 31 CO 0.00 0.37 0.22 -0.08 0.09 0.00 0.00 178.44 179.04 1xn8 h GLU 32 N 0.37 0.40 0.03 1.13 4.57 -0.66 -0.74 114.58 119.69 1xn8 h GLU 32 Ca 0.09 -0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 58.02 1xn8 h GLU 32 Cb 0.18 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1xn8 h GLU 32 CO -0.00 0.27 -0.99 0.00 -1.18 0.00 0.00 179.01 177.10 1xn8 h ALA 33 N 1.80 0.36 -0.90 2.92 0.00 -0.94 -3.22 119.26 119.28 1xn8 h ALA 33 Ca 0.13 -0.77 0.12 0.00 0.00 0.00 0.00 54.91 54.39 1xn8 h ALA 33 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 1xn8 h ALA 33 CO -0.03 0.92 0.53 0.00 0.00 0.00 0.00 179.25 180.67 1xn8 h THR 34 N 0.13 0.86 -0.60 0.00 1.03 -0.56 0.31 112.91 114.07 1xn8 h THR 34 Ca -0.07 -0.28 0.10 0.00 -0.01 0.00 0.00 66.41 66.14 1xn8 h THR 34 Cb 1.66 -0.04 -0.04 0.00 -1.07 0.00 0.00 68.15 68.66 1xn8 h THR 34 CO 0.16 0.15 0.41 0.00 -0.01 0.00 0.00 175.52 176.22 1xn8 h ALA 35 N 1.52 2.00 0.25 0.00 0.00 -1.48 1.18 119.26 122.73 1xn8 h ALA 35 Ca 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1xn8 h ALA 35 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xn8 h ALA 35 CO -0.29 -0.13 -0.12 0.22 0.00 0.00 0.00 179.25 178.93 1xn8 h ASP 36 N 0.43 -0.29 -0.70 0.00 3.58 -0.55 0.10 116.42 118.99 1xn8 h ASP 36 Ca 0.28 -0.24 0.04 0.00 0.42 0.00 0.00 57.03 57.53 1xn8 h ASP 36 Cb 0.53 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 1xn8 h ASP 36 CO -0.08 0.19 0.42 0.40 -2.88 0.00 0.00 179.24 177.30 1xn8 h ILE 37 N -0.88 1.05 -0.42 2.25 2.04 -0.53 1.04 117.51 122.05 1xn8 h ILE 37 Ca -0.03 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1xn8 h ILE 37 Cb 0.51 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1xn8 h ILE 37 CO 0.06 0.15 0.07 0.40 0.00 0.00 0.00 178.15 178.83 1xn8 h ILE 38 N 0.81 1.20 -0.12 -0.67 2.04 0.14 -0.08 117.51 120.83 1xn8 h ILE 38 Ca 0.29 -0.74 -0.19 0.00 1.00 0.00 0.00 64.86 65.22 1xn8 h ILE 38 Cb 0.09 0.80 0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1xn8 h ILE 38 CO -0.14 0.27 -0.66 -0.07 0.00 0.00 0.00 178.15 177.55 1xn8 h LEU 39 N 0.62 0.80 -0.57 1.44 3.38 1.00 0.86 115.31 122.84 1xn8 h LEU 39 Ca 0.14 -0.64 0.04 0.00 0.09 0.00 0.00 57.88 57.50 1xn8 h LEU 39 Cb 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1xn8 h LEU 39 CO 0.00 1.31 0.33 0.11 0.09 0.00 0.00 178.44 180.28 1xn8 h LYS 40 N 0.34 0.62 0.00 1.13 1.57 0.15 0.20 116.57 120.57 1xn8 h LYS 40 Ca -0.05 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1xn8 h LYS 40 Cb 1.30 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1xn8 h LYS 40 CO 0.14 0.41 -0.13 -0.39 -0.57 0.00 0.00 179.45 178.90 1xn8 h VAL 41 N 0.63 0.28 -3.49 0.50 -1.51 -1.01 -3.42 116.25 108.24 1xn8 h VAL 41 Ca 0.24 -1.08 -0.20 0.00 -1.23 0.00 0.00 66.70 64.43 1xn8 h VAL 41 Cb 0.07 1.86 0.07 0.00 -2.13 0.00 0.00 31.29 31.17 1xn8 h VAL 41 CO -0.12 0.13 -0.35 0.61 -1.23 0.00 0.00 177.57 176.61 1xn8 n GLY 42 N 0.57 0.18 3.65 5.19 0.00 0.10 -3.07 105.19 111.81 1xn8 n GLY 42 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 1xn8 n GLY 42 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xn8 s HIS 43 N -3.16 -0.18 0.33 1.61 -3.43 -0.09 -5.01 115.29 105.37 1xn8 s HIS 43 Ca 0.26 0.40 0.07 0.00 -0.80 0.00 0.00 55.06 54.99 1xn8 s HIS 43 Cb -0.12 0.33 -0.01 0.00 -1.43 0.00 0.00 32.58 31.35 1xn8 s HIS 43 CO 0.37 -0.09 0.45 0.16 -2.00 0.00 0.00 174.74 173.63 1xn8 s ASP 44 N 0.48 5.91 -0.07 7.38 1.47 -1.26 -4.65 116.67 125.92 1xn8 s ASP 44 Ca 0.01 -0.22 -0.07 0.00 1.18 0.00 0.00 52.55 53.45 1xn8 s ASP 44 Cb -0.04 -1.21 -0.02 0.00 -0.34 0.00 0.00 42.92 41.31 1xn8 s ASP 44 CO -0.13 -0.42 -0.14 0.49 0.68 0.00 0.00 175.17 175.65 1xn8 n PHE 45 N -1.61 0.05 -3.84 2.11 3.72 -1.26 -5.00 117.46 111.63 1xn8 n PHE 45 Ca -0.00 0.02 -0.31 0.00 -0.05 0.00 0.00 57.45 57.10 1xn8 n PHE 45 Cb 0.58 -0.25 0.01 0.00 -0.94 0.00 0.00 39.48 38.88 1xn8 n PHE 45 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1xn8 n SER 46 N -3.33 -3.60 -3.27 4.37 7.64 -1.26 -4.92 113.62 109.24 1xn8 n SER 46 Ca -0.06 -0.97 0.03 0.00 1.01 0.00 0.00 58.87 58.89 1xn8 n SER 46 Cb 0.21 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.08 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 -3.38 -0.75 0.37 6.43 1.01 -1.26 -5.00 116.67 114.09 1xn8 s ASP 47 Ca 0.24 0.69 0.25 0.00 0.71 0.00 0.00 52.55 54.43 1xn8 s ASP 47 Cb -0.13 1.72 1.35 0.00 1.01 0.00 0.00 42.92 46.86 1xn8 s ASP 47 CO 0.78 -0.14 1.76 0.00 0.21 0.00 0.00 175.17 177.78 1xn8 h ALA 48 N 7.82 1.00 -0.37 5.23 0.00 -1.98 0.51 119.26 131.48 1xn8 h ALA 48 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xn8 h ALA 48 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xn8 h ALA 48 CO 0.06 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.46 1xn8 n GLU 49 N -2.37 3.54 -2.69 0.00 0.28 -1.26 -4.55 120.64 113.59 1xn8 n GLU 49 Ca -0.02 -2.93 -0.06 0.00 -0.16 0.00 0.00 57.16 54.00 1xn8 n GLU 49 Cb 0.04 -1.96 0.08 0.00 1.43 0.00 0.00 31.44 31.02 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 -0.11 -1.64 -3.21 -1.84 9.36 0.18 -5.04 117.16 114.86 1xn8 n TYR 50 Ca 0.23 -1.44 -0.24 0.00 3.32 0.00 0.00 57.90 59.78 1xn8 n TYR 50 Cb 0.98 1.42 -0.06 0.00 -0.63 0.00 0.00 39.34 41.05 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 -0.15 0.66 -2.46 2.97 5.41 -0.92 -4.43 119.36 120.44 1xn8 n ILE 51 Ca -0.08 -4.65 -0.42 0.00 1.00 0.00 0.00 62.75 58.60 1xn8 n ILE 51 Cb 0.75 -1.50 -0.03 0.00 -0.71 0.00 0.00 39.64 38.14 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 -2.10 4.44 -0.65 0.38 0.04 -1.26 -4.99 135.00 130.85 1xn8 s PRO 52 Ca 0.39 1.72 0.05 0.00 0.04 0.00 0.00 61.00 63.21 1xn8 s PRO 52 Cb 0.22 -3.38 0.19 0.00 0.04 0.00 0.00 34.50 31.57 1xn8 s PRO 52 CO -0.08 -0.25 0.55 1.28 0.04 0.00 0.00 177.00 178.53 1xn8 n LEU 53 N 4.06 2.80 -4.79 -3.56 4.32 -1.26 -5.01 117.00 113.55 1xn8 n LEU 53 Ca 0.09 -5.18 -0.29 0.00 -0.02 0.00 0.00 56.01 50.61 1xn8 n LEU 53 Cb 0.47 -0.56 0.12 0.00 -1.62 0.00 0.00 43.42 41.83 1xn8 n LEU 53 CO 0.55 1.86 0.71 -2.16 -1.22 0.00 0.00 177.39 177.13 1xn8 s PRO 54 N -1.58 1.39 0.26 3.23 0.04 -1.26 -4.62 135.00 132.46 1xn8 s PRO 54 Ca 0.30 0.38 -0.02 0.00 0.04 0.00 0.00 61.00 61.70 1xn8 s PRO 54 Cb 0.02 -1.86 0.50 0.00 0.04 0.00 0.00 34.50 33.20 1xn8 s PRO 54 CO -0.13 -2.04 1.76 1.49 0.04 0.00 0.00 177.00 178.12 1xn8 h GLU 55 N -1.39 0.57 0.11 4.56 4.57 -1.98 0.72 114.58 121.74 1xn8 h GLU 55 Ca -0.50 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.67 1xn8 h GLU 55 Cb 1.32 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.73 1xn8 h GLU 55 CO 0.61 0.38 -0.43 1.79 -1.18 0.00 0.00 179.01 180.18 1xn8 h THR 56 N 0.59 0.14 0.44 0.32 1.35 -1.92 1.36 112.91 115.19 1xn8 h THR 56 Ca 0.44 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.28 1xn8 h THR 56 Cb 0.61 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1xn8 h THR 56 CO -0.36 0.00 -0.21 0.58 -0.25 0.00 0.00 175.52 175.28 1xn8 h VAL 57 N -0.66 0.52 -0.82 6.82 2.07 -1.60 0.22 116.25 122.81 1xn8 h VAL 57 Ca 0.02 -0.34 0.20 0.00 0.82 0.00 0.00 66.70 67.40 1xn8 h VAL 57 Cb 0.69 0.68 -0.13 0.00 -1.52 0.00 0.00 31.29 31.01 1xn8 h VAL 57 CO -0.25 0.06 0.22 -0.09 0.02 0.00 0.00 177.57 177.53 1xn8 h ARG 58 N -0.81 0.25 -0.39 1.57 2.43 0.62 1.65 114.38 119.70 1xn8 h ARG 58 Ca -0.06 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1xn8 h ARG 58 Cb 0.55 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1xn8 h ARG 58 CO 0.10 0.17 -0.09 1.25 -1.51 0.00 0.00 179.97 179.89 1xn8 h LEU 59 N 0.26 0.76 -0.61 3.80 5.85 0.20 0.76 115.31 126.33 1xn8 h LEU 59 Ca 0.49 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1xn8 h LEU 59 Cb 0.92 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1xn8 h LEU 59 CO -0.58 0.94 0.26 0.00 -0.34 0.00 0.00 178.44 178.72 1xn8 h ALA 60 N 0.84 0.79 -0.31 1.25 0.00 0.30 0.14 119.26 122.27 1xn8 h ALA 60 Ca 0.10 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1xn8 h ALA 60 Cb 0.60 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xn8 h ALA 60 CO 0.04 0.39 -0.47 1.25 0.00 0.00 0.00 179.25 180.45 1xn8 h LEU 61 N 0.84 0.91 -0.51 0.00 5.85 0.24 0.12 115.31 122.76 1xn8 h LEU 61 Ca 0.20 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1xn8 h LEU 61 Cb 0.18 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1xn8 h LEU 61 CO -0.02 1.23 0.33 -0.07 -0.34 0.00 0.00 178.44 179.57 1xn8 h LEU 62 N 0.66 0.56 -0.07 2.25 3.38 0.98 1.51 115.31 124.57 1xn8 h LEU 62 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1xn8 h LEU 62 Cb 1.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1xn8 h LEU 62 CO 0.11 0.40 -0.04 0.11 0.09 0.00 0.00 178.44 179.11 1xn8 h LYS 63 N 0.67 0.15 -0.29 1.13 1.57 -0.63 -1.20 116.57 117.96 1xn8 h LYS 63 Ca 0.19 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1xn8 h LYS 63 Cb -0.05 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1xn8 h LYS 63 CO -0.05 0.52 0.15 -0.07 -0.57 0.00 0.00 179.45 179.43 1xn8 h LEU 64 N -0.23 0.24 -1.22 2.94 3.38 -0.44 1.01 115.31 120.98 1xn8 h LEU 64 Ca 0.02 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1xn8 h LEU 64 Cb 0.48 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1xn8 h LEU 64 CO 0.01 0.18 0.56 0.28 0.09 0.00 0.00 178.44 179.56 1xn8 h SER 65 N 0.32 0.80 0.40 -0.43 0.02 0.22 0.19 113.55 115.06 1xn8 h SER 65 Ca 0.12 0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.84 1xn8 h SER 65 Cb 0.02 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1xn8 h SER 65 CO -0.07 0.50 -1.03 -0.61 -1.14 0.00 0.00 176.83 174.48 1xn8 h GLN 66 N 0.90 0.38 -0.34 3.45 4.15 -0.12 -0.92 115.11 122.61 1xn8 h GLN 66 Ca 0.38 -0.46 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1xn8 h GLN 66 Cb 0.31 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1xn8 h GLN 66 CO -0.15 1.14 0.14 0.35 -1.93 0.00 0.00 178.83 178.38 1xn8 h PHE 67 N 0.19 0.51 0.13 3.99 3.57 0.24 0.58 116.94 126.15 1xn8 h PHE 67 Ca -0.10 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 1xn8 h PHE 67 Cb 1.68 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.27 1xn8 h PHE 67 CO 0.06 0.48 -0.06 1.88 -2.23 0.00 0.00 178.31 178.44 1xn8 h TYR 68 N 0.40 -0.17 -0.43 0.41 -1.99 -0.76 -1.91 116.97 112.52 1xn8 h TYR 68 Ca 0.11 -0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.96 1xn8 h TYR 68 Cb 0.18 0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 1xn8 h TYR 68 CO -0.00 0.30 0.41 0.00 -0.00 0.00 0.00 178.16 178.86 1xn8 h ALA 69 N -0.25 2.19 0.03 3.88 0.00 -1.20 0.61 119.26 124.51 1xn8 h ALA 69 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xn8 h ALA 69 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xn8 h ALA 69 CO 0.03 -0.63 -0.01 1.25 0.00 0.00 0.00 179.25 179.89 1xn8 h LEU 70 N 0.00 -0.03 -3.23 0.00 5.85 -0.82 -2.59 115.31 114.49 1xn8 h LEU 70 Ca 0.20 -0.67 -0.32 0.00 0.84 0.00 0.00 57.88 57.93 1xn8 h LEU 70 Cb 1.02 0.01 -0.18 0.00 0.37 0.00 0.00 40.66 41.87 1xn8 h LEU 70 CO -0.00 0.69 0.40 2.30 -0.34 0.00 0.00 178.44 181.49 1xn8 n ILE 71 N -4.76 2.37 0.00 4.05 -5.35 0.07 -3.74 119.36 112.00 1xn8 n ILE 71 Ca -0.09 -1.21 0.00 0.00 -0.27 0.00 0.00 62.75 61.18 1xn8 n ILE 71 Cb 0.34 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.51 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 -0.44 1.13 -2.23 7.28 4.13 0.19 -4.76 115.26 120.56 1xn8 n ASN 72 Ca 0.36 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.32 1xn8 n ASN 72 Cb 1.16 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 39.51 1xn8 n ASN 72 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xn8 n GLY 73 N 2.85 5.43 3.92 7.41 0.00 -0.98 -4.94 105.19 118.88 1xn8 n GLY 73 Ca 0.00 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.78 5.88 -0.16 1.61 -1.08 -1.25 -4.77 116.67 115.13 1xn8 s ASP 74 Ca 0.61 -0.15 0.01 0.00 -0.52 0.00 0.00 52.55 52.50 1xn8 s ASP 74 Cb 0.49 -1.48 -0.10 0.00 -1.46 0.00 0.00 42.92 40.37 1xn8 s ASP 74 CO 0.03 -0.18 -0.14 1.21 0.52 0.00 0.00 175.17 176.61 1xn8 n GLU 75 N -1.39 0.40 0.24 4.34 4.07 -1.26 -4.48 120.64 122.57 1xn8 n GLU 75 Ca -0.06 0.09 0.09 0.00 -0.06 0.00 0.00 57.16 57.23 1xn8 n GLU 75 Cb 0.58 -1.32 0.61 0.00 -0.06 0.00 0.00 31.44 31.25 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1xn8 h SER 76 N -0.01 0.00 -3.37 4.31 0.02 -1.96 -3.42 113.55 109.12 1xn8 h SER 76 Ca -0.36 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.04 1xn8 h SER 76 Cb 1.55 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.06 1xn8 h SER 76 CO -0.06 0.17 0.04 -0.63 -1.14 0.00 0.00 176.83 175.22 1xn8 s ILE 77 N -4.27 4.61 -0.61 3.27 1.01 -1.25 -4.39 121.20 119.57 1xn8 s ILE 77 Ca -0.03 1.35 -0.06 0.00 0.00 0.00 0.00 60.65 61.91 1xn8 s ILE 77 Cb 0.14 -3.96 0.16 0.00 0.01 0.00 0.00 42.46 38.81 1xn8 s ILE 77 CO 0.63 0.48 0.45 -0.63 0.00 0.00 0.00 174.94 175.88 1xn8 s ILE 78 N -1.19 4.05 0.00 2.92 1.01 -1.26 -4.73 121.20 121.99 1xn8 s ILE 78 Ca 0.33 -2.62 0.03 0.00 0.00 0.00 0.00 60.65 58.40 1xn8 s ILE 78 Cb -0.20 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.70 1xn8 s ILE 78 CO 0.21 -0.87 0.87 2.29 0.00 0.00 0.00 174.94 177.44 1xn8 n LYS 79 N 3.89 0.00 0.00 2.79 -0.00 -1.26 -4.66 118.16 118.92 1xn8 n LYS 79 Ca 0.05 -0.82 0.00 0.00 -0.00 0.00 0.00 58.31 57.55 1xn8 n LYS 79 Cb 0.40 -0.21 0.00 0.00 -0.00 0.00 0.00 35.03 35.22 1xn8 n LYS 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xn8 n GLY 80 N 0.06 0.29 0.38 2.58 0.00 -1.26 -4.54 105.19 102.69 1xn8 n GLY 80 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1xn8 n GLY 80 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xn8 h TYR 81 N 0.00 -1.52 -0.06 1.61 3.20 -2.01 -3.45 116.97 114.74 1xn8 h TYR 81 Ca 0.00 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1xn8 h TYR 81 Cb 0.00 0.73 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1xn8 h TYR 81 CO 0.00 -0.38 0.00 0.25 -1.64 0.00 0.00 178.16 176.39 1xn8 n THR 82 N -4.96 0.00 -1.46 1.81 -2.24 -1.26 -4.86 114.28 101.31 1xn8 n THR 82 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1xn8 n THR 82 Cb 0.27 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1xn8 n THR 82 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xn8 n THR 83 N 0.00 0.00 1.83 4.28 -1.04 -1.26 -4.97 114.28 113.12 1xn8 n THR 83 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 1xn8 n THR 83 Cb 0.00 0.00 0.34 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.00 1.14 -3.98 -2.82 4.07 -1.26 -4.61 120.64 113.19 1xn8 n GLU 84 Ca 0.00 -0.22 -0.30 0.00 -0.06 0.00 0.00 57.16 56.58 1xn8 n GLU 84 Cb 0.00 -1.22 -0.16 0.00 -0.06 0.00 0.00 31.44 30.00 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 -1.94 1.92 0.00 5.31 -2.85 -1.26 -4.96 119.74 115.96 1xn8 s LYS 85 Ca 0.20 -0.77 0.24 0.00 -1.00 0.00 0.00 55.97 54.64 1xn8 s LYS 85 Cb 0.10 -2.33 0.30 0.00 -2.06 0.00 0.00 37.83 33.83 1xn8 s LYS 85 CO 0.15 -0.42 1.32 -0.89 0.10 0.00 0.00 175.35 175.61 1xn8 n ILE 86 N 4.72 0.12 -1.78 3.79 2.08 -1.26 -4.27 119.36 122.75 1xn8 n ILE 86 Ca -0.14 -0.54 -0.31 0.00 0.56 0.00 0.00 62.75 62.31 1xn8 n ILE 86 Cb 0.47 1.31 0.04 0.00 -0.75 0.00 0.00 39.64 40.71 1xn8 n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1xn8 n GLY 87 N 1.37 6.00 3.74 7.39 0.00 -1.26 -5.00 105.19 117.43 1xn8 n GLY 87 Ca 0.16 -2.51 -0.20 0.00 0.00 0.00 0.00 46.02 43.47 1xn8 n GLY 87 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xn8 n ASP 88 N -0.74 1.73 -2.33 1.61 5.75 -1.26 -5.00 116.55 116.31 1xn8 n ASP 88 Ca 0.53 -2.32 -0.31 0.00 -0.01 0.00 0.00 54.79 52.68 1xn8 n ASP 88 Cb 0.68 -0.50 0.05 0.00 -1.03 0.00 0.00 41.12 40.33 1xn8 n ASP 88 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1xn8 n TYR 89 N -2.45 2.64 -2.93 2.11 4.02 -1.26 -4.64 117.16 114.65 1xn8 n TYR 89 Ca 0.16 -2.57 -0.31 0.00 -0.01 0.00 0.00 57.90 55.16 1xn8 n TYR 89 Cb 0.57 -1.29 -0.03 0.00 -0.02 0.00 0.00 39.34 38.58 1xn8 n TYR 89 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1xn8 n SER 90 N -0.39 5.24 -1.99 7.72 7.64 -1.26 -4.76 113.62 125.82 1xn8 n SER 90 Ca 0.52 -3.64 -0.22 0.00 1.01 0.00 0.00 58.87 56.54 1xn8 n SER 90 Cb 0.57 -0.77 0.03 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.03 2.56 -1.58 1.43 4.01 -1.26 -4.20 117.16 118.14 1xn8 n TYR 91 Ca 0.35 -2.18 -0.51 0.00 -0.16 0.00 0.00 57.90 55.40 1xn8 n TYR 91 Cb 0.36 -0.33 -0.05 0.00 -0.31 0.00 0.00 39.34 39.00 1xn8 n TYR 91 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1xn8 n THR 92 N -0.72 0.41 -3.50 -0.72 -1.04 -1.26 -4.06 114.28 103.38 1xn8 n THR 92 Ca 0.41 -0.10 -0.33 0.00 -2.04 0.00 0.00 64.05 61.99 1xn8 n THR 92 Cb 0.95 -0.79 -0.05 0.00 -1.82 0.00 0.00 70.33 68.62 1xn8 n THR 92 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xn8 s LEU 93 N 0.57 4.27 0.53 -4.42 1.43 -0.67 -3.80 118.68 116.59 1xn8 s LEU 93 Ca 0.80 0.85 0.46 0.00 -1.03 0.00 0.00 54.13 55.20 1xn8 s LEU 93 Cb -0.92 -3.32 1.68 0.00 0.03 0.00 0.00 46.19 43.66 1xn8 s LEU 93 CO 0.50 0.06 1.59 1.23 0.23 0.00 0.00 176.35 179.96 1xn8 h GLY 94 N 3.15 0.30 0.31 -3.19 0.00 -1.92 1.35 103.07 103.07 1xn8 h GLY 94 Ca -0.48 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1xn8 h GLY 94 CO 0.68 -0.10 -0.17 -0.55 0.00 0.00 0.00 176.54 176.41 1xn8 h ASP 95 N 0.01 0.13 0.00 0.19 5.19 -1.95 -3.48 116.42 116.50 1xn8 h ASP 95 Ca 0.91 -0.83 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1xn8 h ASP 95 Cb 3.49 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 42.96 1xn8 h ASP 95 CO -0.11 0.95 0.00 0.61 -3.12 0.00 0.00 179.24 177.57 1xn8 n GLY 96 N 1.19 0.59 3.42 2.75 0.00 0.46 -5.15 105.19 108.45 1xn8 n GLY 96 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.93 3.82 -1.49 1.61 0.01 -1.25 -4.83 113.70 110.63 1xn8 s SER 97 Ca 0.00 -0.28 -0.09 0.00 1.31 0.00 0.00 55.95 56.89 1xn8 s SER 97 Cb 0.00 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.31 1xn8 s SER 97 CO 0.00 0.30 2.63 -1.54 0.41 0.00 0.00 173.24 175.04 1xn8 n SER 98 N 2.60 7.76 -4.38 2.44 3.41 -1.26 -1.67 113.62 122.52 1xn8 n SER 98 Ca -0.17 -2.81 -0.55 0.00 -0.26 0.00 0.00 58.87 55.08 1xn8 n SER 98 Cb 0.52 -1.50 -0.09 0.00 -0.26 0.00 0.00 64.21 62.88 1xn8 n SER 98 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xn8 n LEU 99 N 3.31 1.58 0.00 1.04 0.00 -1.26 -4.90 117.00 116.77 1xn8 n LEU 99 Ca 0.68 0.55 -0.10 0.00 0.00 0.00 0.00 56.01 57.14 1xn8 n LEU 99 Cb 0.26 -1.11 0.03 0.00 0.00 0.00 0.00 43.42 42.60 1xn8 n LEU 99 CO 0.81 -0.74 0.17 0.00 0.00 0.00 0.00 177.39 177.63 1xn8 n GLN 100 N 7.77 0.82 -0.91 1.96 3.00 -1.26 -4.72 117.38 124.05 1xn8 n GLN 100 Ca 0.46 -1.58 -0.33 0.00 -0.01 0.00 0.00 57.00 55.53 1xn8 n GLN 100 Cb 0.12 -0.10 0.12 0.00 0.00 0.00 0.00 30.24 30.38 1xn8 n GLN 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1xn8 n LYS 101 N -1.60 -0.13 0.00 -1.09 4.01 -1.26 -5.00 118.16 113.09 1xn8 n LYS 101 Ca 0.07 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 1xn8 n LYS 101 Cb 0.30 -2.04 0.00 0.00 -0.51 0.00 0.00 35.03 32.78 1xn8 n LYS 101 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1xn8 n PRO 102 N -2.22 0.47 -3.88 1.97 -0.04 -1.26 -5.02 135.00 125.03 1xn8 n PRO 102 Ca 0.09 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.27 1xn8 n PRO 102 Cb 0.52 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.86 1xn8 n PRO 102 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xn8 s ASP 103 N -1.25 4.66 -0.15 3.54 1.11 -1.26 -4.82 116.67 118.50 1xn8 s ASP 103 Ca 0.00 -3.82 0.18 0.00 0.18 0.00 0.00 52.55 49.09 1xn8 s ASP 103 Cb 0.00 -1.58 0.38 0.00 1.07 0.00 0.00 42.92 42.79 1xn8 s ASP 103 CO 0.00 -0.09 1.26 1.33 1.18 0.00 0.00 175.17 178.85 1xn8 n VAL 104 N 2.01 2.05 -0.05 -1.27 0.24 -1.26 -4.64 118.33 115.41 1xn8 n VAL 104 Ca 0.20 -2.14 -0.07 0.00 -2.04 0.00 0.00 64.34 60.29 1xn8 n VAL 104 Cb 0.36 -0.25 0.10 0.00 -1.47 0.00 0.00 33.84 32.58 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 0.69 0.79 0.00 6.34 3.20 -1.98 -0.67 116.97 125.34 1xn8 h TYR 105 Ca 0.00 -0.19 -0.10 0.00 3.14 0.00 0.00 58.73 61.59 1xn8 h TYR 105 Cb 1.17 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1xn8 h TYR 105 CO 0.20 0.89 -0.45 0.00 -1.64 0.00 0.00 178.16 177.16 1xn8 h ALA 106 N 1.10 1.18 0.10 1.82 0.00 -1.98 0.74 119.26 122.23 1xn8 h ALA 106 Ca 0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1xn8 h ALA 106 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xn8 h ALA 106 CO 0.06 0.57 -0.05 -0.07 0.00 0.00 0.00 179.25 179.76 1xn8 h LEU 107 N 0.00 -0.12 -1.33 0.00 3.38 -1.78 -3.17 115.31 112.30 1xn8 h LEU 107 Ca -0.00 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1xn8 h LEU 107 Cb 0.84 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1xn8 h LEU 107 CO 0.06 0.47 -0.11 0.16 0.09 0.00 0.00 178.44 179.12 1xn8 h ILE 108 N -0.80 0.28 -0.20 1.22 3.07 -1.07 -2.67 117.51 117.33 1xn8 h ILE 108 Ca -0.01 -0.78 0.06 0.00 1.55 0.00 0.00 64.86 65.67 1xn8 h ILE 108 Cb 0.57 1.62 -0.01 0.00 -0.27 0.00 0.00 36.82 38.73 1xn8 h ILE 108 CO 0.02 0.10 0.49 0.50 -1.05 0.00 0.00 178.15 178.22 1xn8 h LYS 109 N 0.00 0.00 0.02 0.16 3.64 0.55 0.23 116.57 121.17 1xn8 h LYS 109 Ca -0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1xn8 h LYS 109 Cb 0.61 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1xn8 h LYS 109 CO 0.01 0.00 -0.08 0.22 -2.27 0.00 0.00 179.45 177.33 1xn8 h ASP 110 N 0.00 -0.22 -1.58 4.20 1.82 -1.60 -3.16 116.42 115.88 1xn8 h ASP 110 Ca 0.10 0.03 -0.59 0.00 -0.39 0.00 0.00 57.03 56.18 1xn8 h ASP 110 Cb 1.08 0.09 -0.42 0.00 0.68 0.00 0.00 39.33 40.76 1xn8 h ASP 110 CO -0.00 -0.12 -0.70 -1.22 -1.61 0.00 0.00 179.24 175.59 1xn8 n TYR 111 N -5.20 3.46 -3.62 0.28 4.01 0.73 -5.05 117.16 111.77 1xn8 n TYR 111 Ca -0.06 -3.18 -0.29 0.00 -0.16 0.00 0.00 57.90 54.21 1xn8 n TYR 111 Cb 0.12 -0.13 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 1xn8 n TYR 111 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xn8 s VAL 112 N -5.45 5.16 -0.89 -0.72 1.01 -0.70 -4.81 120.40 114.00 1xn8 s VAL 112 Ca 0.48 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.05 1xn8 s VAL 112 Cb 0.39 -3.70 -0.21 0.00 0.00 0.00 0.00 36.38 32.86 1xn8 s VAL 112 CO -0.19 -0.13 2.35 2.29 0.00 0.00 0.00 175.10 179.41 1xn8 n LYS 113 N -0.47 0.00 -1.55 2.72 0.00 -1.17 -4.83 118.16 112.85 1xn8 n LYS 113 Ca -0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.98 1xn8 n LYS 113 Cb 0.53 -1.28 0.11 0.00 -0.00 0.00 0.00 35.03 34.39 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 7.80 1.76 -0.48 -1.58 0.04 -1.26 -5.03 135.00 136.26 1xn8 s PRO 114 Ca 1.21 0.51 0.08 0.00 0.04 0.00 0.00 61.00 62.84 1xn8 s PRO 114 Cb -1.08 -1.89 0.28 0.00 0.04 0.00 0.00 34.50 31.85 1xn8 s PRO 114 CO 0.45 -1.82 0.67 0.00 0.04 0.00 0.00 177.00 176.34 1xn8 n ALA 115 N -3.54 3.05 -3.09 8.56 0.00 -1.26 -5.07 120.51 119.15 1xn8 n ALA 115 Ca 0.07 -3.92 -0.12 0.00 0.00 0.00 0.00 53.44 49.47 1xn8 n ALA 115 Cb 0.57 -0.85 -0.11 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.00 -0.12 0.18 0.00 2.15 -1.26 -5.17 116.67 110.45 1xn8 s ASP 116 Ca 0.39 0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.53 1xn8 s ASP 116 Cb 0.21 0.32 0.00 0.00 -0.30 0.00 0.00 42.92 43.15 1xn8 s ASP 116 CO -0.08 -0.19 0.00 -0.81 -0.17 0.00 0.00 175.17 173.92 1xn8 n PRO 117 N 2.37 0.73 -0.91 4.34 -0.04 -1.26 -4.89 135.00 135.34 1xn8 n PRO 117 Ca -0.16 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.11 1xn8 n PRO 117 Cb 0.57 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.09 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 -0.55 6.02 0.03 3.54 2.03 -1.26 -4.06 116.55 122.30 1xn8 n ASP 118 Ca 0.00 -3.13 0.12 0.00 0.52 0.00 0.00 54.79 52.30 1xn8 n ASP 118 Cb 0.00 -0.97 0.20 0.00 -0.72 0.00 0.00 41.12 39.63 1xn8 n ASP 118 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xn8 n LEU 119 N 0.02 0.58 -4.67 -2.67 -0.00 -1.26 -4.87 117.00 104.13 1xn8 n LEU 119 Ca 0.35 0.09 -0.26 0.00 -0.00 0.00 0.00 56.01 56.19 1xn8 n LEU 119 Cb 0.71 -0.21 -0.08 0.00 -0.00 0.00 0.00 43.42 43.84 1xn8 n LEU 119 CO 0.43 0.04 -0.32 -0.70 -0.00 0.00 0.00 177.39 176.84 1xn8 s GLU 120 N -3.09 2.43 0.00 1.47 2.12 -1.26 -4.54 118.70 115.84 1xn8 s GLU 120 Ca 0.08 -1.11 0.00 0.00 0.36 0.00 0.00 54.97 54.31 1xn8 s GLU 120 Cb 0.16 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 32.18 1xn8 s GLU 120 CO 0.72 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 176.30 1xn8 n GLY 121 N -0.18 0.19 3.38 -1.50 0.00 -1.26 -5.05 105.19 100.76 1xn8 n GLY 121 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.05 2.23 0.00 -0.61 1.09 -1.26 -4.57 121.20 116.03 1xn8 s ILE 122 Ca 0.00 -1.69 0.00 0.00 -1.10 0.00 0.00 60.65 57.86 1xn8 s ILE 122 Cb 0.00 -1.96 0.00 0.00 -1.06 0.00 0.00 42.46 39.44 1xn8 s ILE 122 CO 0.00 0.14 0.00 -0.62 -0.10 0.00 0.00 174.94 174.36 1xn8 n GLU 123 N 1.06 -0.39 -0.12 2.79 1.02 -1.26 -4.81 120.64 118.94 1xn8 n GLU 123 Ca -0.18 0.10 -0.22 0.00 -0.02 0.00 0.00 57.16 56.84 1xn8 n GLU 123 Cb 0.53 -3.53 -0.08 0.00 -0.02 0.00 0.00 31.44 28.34 1xn8 n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xn8 n ALA 124 N 1.00 0.98 0.10 0.62 0.00 -1.26 -3.65 120.51 118.30 1xn8 n ALA 124 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.45 1xn8 n ALA 124 Cb 0.10 -0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.23 -0.27 0.00 1.63 -1.87 -2.80 116.57 112.02 1xn8 h LYS 125 Ca -0.43 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.45 1xn8 h LYS 125 Cb 1.33 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.94 1xn8 h LYS 125 CO -0.26 0.07 -0.28 0.28 -3.45 0.00 0.00 179.45 175.82 1xn8 h VAL 126 N -0.55 0.33 -1.20 2.00 2.07 -1.95 0.72 116.25 117.66 1xn8 h VAL 126 Ca -0.02 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.84 1xn8 h VAL 126 Cb 0.42 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 1xn8 h VAL 126 CO 0.04 0.00 0.83 0.03 0.02 0.00 0.00 177.57 178.49 1xn8 h ARG 127 N -0.27 0.14 0.00 1.57 2.47 -1.61 0.33 114.38 117.00 1xn8 h ARG 127 Ca 0.14 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1xn8 h ARG 127 Cb 0.50 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1xn8 h ARG 127 CO -0.43 0.09 -0.14 1.98 0.56 0.00 0.00 179.97 182.03 1xn8 h MET 128 N 0.14 0.00 -1.16 0.04 4.05 0.03 -3.20 114.93 114.84 1xn8 h MET 128 Ca 0.63 0.00 0.34 0.00 -0.28 0.00 0.00 59.70 60.38 1xn8 h MET 128 Cb 2.15 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.90 1xn8 h MET 128 CO -0.15 0.00 0.98 -0.09 0.23 0.00 0.00 176.91 177.88 1xn8 h ARG 129 N -0.85 0.00 -2.39 0.39 1.12 0.89 -1.81 114.38 111.73 1xn8 h ARG 129 Ca 0.00 0.00 -0.59 0.00 -1.11 0.00 0.00 59.98 58.28 1xn8 h ARG 129 Cb 0.14 0.00 -0.41 0.00 -0.01 0.00 0.00 29.97 29.70 1xn8 h ARG 129 CO 0.00 0.00 -0.76 0.45 -3.11 0.00 0.00 179.97 176.55 1xn8 n SER 130 N -3.80 2.15 0.00 -3.80 2.88 0.11 -5.07 113.62 106.09 1xn8 n SER 130 Ca 0.25 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 1xn8 n SER 130 Cb 1.35 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81