#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 -0.50 -0.01 -0.89 0.00 -1.26 -4.95 117.00 109.39 1xn8 n LEU 2 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 56.01 56.14 1xn8 n LEU 2 Cb 0.00 0.86 -0.13 0.00 0.00 0.00 0.00 43.42 44.15 1xn8 n LEU 2 CO 0.00 -0.36 -0.67 0.18 0.00 0.00 0.00 177.39 176.54 1xn8 n LEU 3 N -2.53 0.33 -3.91 -1.96 4.77 -1.26 -4.99 117.00 107.44 1xn8 n LEU 3 Ca 0.00 0.14 -0.09 0.00 -0.03 0.00 0.00 56.01 56.03 1xn8 n LEU 3 Cb 0.00 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1xn8 n LEU 3 CO 0.00 0.17 0.12 0.27 -1.33 0.00 0.00 177.39 176.62 1xn8 s ILE 4 N -3.04 0.04 0.38 -0.08 -4.36 -1.26 -4.54 121.20 108.34 1xn8 s ILE 4 Ca -0.06 -1.22 0.08 0.00 -0.26 0.00 0.00 60.65 59.19 1xn8 s ILE 4 Cb 0.10 -1.86 -0.06 0.00 1.25 0.00 0.00 42.46 41.89 1xn8 s ILE 4 CO 0.85 -0.16 0.07 0.28 0.24 0.00 0.00 174.94 176.21 1xn8 s THR 5 N -3.95 2.35 0.17 8.37 -1.32 -1.26 -0.21 115.64 119.78 1xn8 s THR 5 Ca 0.16 -1.89 0.00 0.00 -1.21 0.00 0.00 61.69 58.76 1xn8 s THR 5 Cb 0.01 -2.91 -0.14 0.00 -1.51 0.00 0.00 72.50 67.95 1xn8 s THR 5 CO 0.02 -0.08 1.39 1.55 -2.21 0.00 0.00 174.62 175.29 1xn8 h PRO 6 N 1.67 0.29 -0.30 7.08 0.13 -1.94 -2.52 132.00 136.42 1xn8 h PRO 6 Ca -0.43 -0.29 0.06 0.00 -0.87 0.00 0.00 66.00 64.48 1xn8 h PRO 6 Cb 1.25 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 1xn8 h PRO 6 CO 0.71 0.97 -0.11 -0.44 -0.23 0.00 0.00 178.00 178.90 1xn8 h ASP 7 N 0.18 -0.39 -0.40 1.44 5.19 -1.99 0.11 116.42 120.56 1xn8 h ASP 7 Ca -0.05 0.10 -0.12 0.00 -0.62 0.00 0.00 57.03 56.35 1xn8 h ASP 7 Cb 1.43 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 41.16 1xn8 h ASP 7 CO 0.13 -0.14 -0.21 -0.33 -3.12 0.00 0.00 179.24 175.57 1xn8 h GLU 8 N -0.06 0.90 -0.30 3.56 5.08 -1.97 0.16 114.58 121.96 1xn8 h GLU 8 Ca 0.15 -0.37 0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1xn8 h GLU 8 Cb 0.28 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 1xn8 h GLU 8 CO -0.34 1.03 -0.14 1.25 -1.00 0.00 0.00 179.01 179.81 1xn8 h LEU 9 N 0.79 -0.47 -0.78 1.33 5.85 -0.77 1.51 115.31 122.77 1xn8 h LEU 9 Ca 0.11 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 1xn8 h LEU 9 Cb 0.76 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1xn8 h LEU 9 CO 0.06 -0.17 -0.50 0.07 -0.34 0.00 0.00 178.44 177.56 1xn8 h LYS 10 N -0.09 0.28 -0.19 1.25 2.10 -0.72 1.44 116.57 120.63 1xn8 h LYS 10 Ca 0.16 -0.16 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1xn8 h LYS 10 Cb 0.33 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1xn8 h LYS 10 CO -0.36 0.72 -0.27 1.03 -2.00 0.00 0.00 179.45 178.57 1xn8 h SER 11 N 0.22 0.37 0.01 7.07 0.87 0.11 -3.27 113.55 118.93 1xn8 h SER 11 Ca 0.01 -0.12 -0.27 0.00 -1.23 0.00 0.00 61.79 60.18 1xn8 h SER 11 Cb 0.95 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.78 1xn8 h SER 11 CO 0.08 0.63 -1.45 0.00 -0.53 0.00 0.00 176.83 175.57 1xn8 n TYR 12 N -4.13 0.95 -2.57 2.24 9.36 0.50 -4.87 117.16 118.64 1xn8 n TYR 12 Ca -0.01 0.39 -0.42 0.00 3.32 0.00 0.00 57.90 61.18 1xn8 n TYR 12 Cb 0.40 -1.10 -0.03 0.00 -0.63 0.00 0.00 39.34 37.98 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 -6.93 7.20 -0.21 2.98 0.15 0.49 -4.91 113.70 112.47 1xn8 s SER 13 Ca -0.29 1.77 0.15 0.00 0.70 0.00 0.00 55.95 58.28 1xn8 s SER 13 Cb 0.07 -2.57 0.73 0.00 -1.71 0.00 0.00 66.02 62.54 1xn8 s SER 13 CO 0.60 -0.42 1.65 1.33 1.20 0.00 0.00 173.24 177.60 1xn8 n VAL 14 N 4.18 2.57 -2.95 4.45 0.24 -1.26 -4.52 118.33 121.04 1xn8 n VAL 14 Ca 0.08 -1.53 -0.42 0.00 -2.04 0.00 0.00 64.34 60.44 1xn8 n VAL 14 Cb 0.48 -0.24 -0.05 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.72 3.20 0.61 6.34 0.08 -1.26 -4.90 117.98 119.34 1xn8 s PHE 15 Ca 0.51 0.79 0.27 0.00 0.12 0.00 0.00 56.93 58.62 1xn8 s PHE 15 Cb 0.39 -3.22 1.30 0.00 -0.57 0.00 0.00 43.02 40.92 1xn8 s PHE 15 CO 0.14 -0.57 1.72 1.49 -0.10 0.00 0.00 175.22 177.91 1xn8 h GLU 16 N 8.14 0.00 -0.26 0.44 4.81 -1.98 1.02 114.58 126.75 1xn8 h GLU 16 Ca -0.24 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.80 1xn8 h GLU 16 Cb 1.10 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1xn8 h GLU 16 CO 0.88 0.00 -0.57 0.77 -0.73 0.00 0.00 179.01 179.37 1xn8 h SER 17 N 0.00 0.89 0.60 1.04 0.02 -1.90 0.49 113.55 114.69 1xn8 h SER 17 Ca 0.21 -0.49 -0.19 0.00 -0.84 0.00 0.00 61.79 60.48 1xn8 h SER 17 Cb 1.47 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1xn8 h SER 17 CO -0.00 1.27 -0.85 0.58 -1.14 0.00 0.00 176.83 176.68 1xn8 h VAL 18 N 0.61 1.50 0.33 2.27 2.07 0.80 -1.57 116.25 122.25 1xn8 h VAL 18 Ca 0.01 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 64.91 1xn8 h VAL 18 Cb 1.16 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1xn8 h VAL 18 CO 0.12 0.76 -0.16 0.11 0.02 0.00 0.00 177.57 178.42 1xn8 h LYS 19 N 0.10 -0.42 -0.80 1.57 1.79 -0.91 -3.14 116.57 114.76 1xn8 h LYS 19 Ca -0.04 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1xn8 h LYS 19 Cb 1.47 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 32.17 1xn8 h LYS 19 CO 0.13 -0.09 0.53 0.00 -1.08 0.00 0.00 179.45 178.93 1xn8 h THR 20 N -0.85 1.10 -1.14 -0.16 1.03 -0.97 -3.43 112.91 108.49 1xn8 h THR 20 Ca -0.04 -0.33 -0.75 0.00 -0.01 0.00 0.00 66.41 65.28 1xn8 h THR 20 Cb 0.52 0.07 0.06 0.00 -1.07 0.00 0.00 68.15 67.73 1xn8 h THR 20 CO 0.07 0.17 0.04 0.54 -0.01 0.00 0.00 175.52 176.34 1xn8 n ARG 21 N -4.46 0.21 -2.51 0.00 5.12 -0.59 -4.87 116.66 109.56 1xn8 n ARG 21 Ca 0.11 0.08 -0.39 0.00 -1.93 0.00 0.00 57.85 55.71 1xn8 n ARG 21 Cb 0.14 -1.53 -0.04 0.00 -1.16 0.00 0.00 32.46 29.87 1xn8 n ARG 21 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1xn8 s PRO 22 N -0.10 4.49 0.41 5.56 0.04 -1.26 -4.83 135.00 139.32 1xn8 s PRO 22 Ca 0.86 1.69 0.13 0.00 0.04 0.00 0.00 61.00 63.71 1xn8 s PRO 22 Cb -1.16 -2.98 0.97 0.00 0.04 0.00 0.00 34.50 31.37 1xn8 s PRO 22 CO 0.55 0.11 1.95 -0.44 0.04 0.00 0.00 177.00 179.21 1xn8 h ASP 23 N 3.39 0.45 0.13 6.66 5.19 -1.94 0.54 116.42 130.84 1xn8 h ASP 23 Ca -0.47 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 55.93 1xn8 h ASP 23 Cb 1.21 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.64 1xn8 h ASP 23 CO 0.65 0.26 -0.09 1.05 -3.12 0.00 0.00 179.24 177.99 1xn8 h GLU 24 N 0.50 0.00 0.00 3.56 4.11 -2.00 -0.17 114.58 120.58 1xn8 h GLU 24 Ca 0.33 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.59 1xn8 h GLU 24 Cb 0.62 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1xn8 h GLU 24 CO -0.11 0.09 -1.05 -0.07 0.07 0.00 0.00 179.01 177.95 1xn8 h LEU 25 N 0.00 0.00 -0.84 3.06 3.38 -0.56 -3.31 115.31 117.05 1xn8 h LEU 25 Ca -0.00 -0.39 0.21 0.00 0.09 0.00 0.00 57.88 57.80 1xn8 h LEU 25 Cb 0.19 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.80 1xn8 h LEU 25 CO 0.01 1.30 0.18 -0.07 0.09 0.00 0.00 178.44 179.95 1xn8 h LEU 26 N -1.00 -0.08 0.10 1.67 3.38 -0.10 0.63 115.31 119.91 1xn8 h LEU 26 Ca -0.26 0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1xn8 h LEU 26 Cb 1.09 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.08 1xn8 h LEU 26 CO -0.16 -0.15 -0.36 0.11 0.09 0.00 0.00 178.44 177.98 1xn8 h LYS 27 N 0.19 -0.55 -0.87 1.13 1.57 -1.19 1.16 116.57 118.01 1xn8 h LYS 27 Ca 0.51 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.36 1xn8 h LYS 27 Cb 0.98 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 1xn8 h LYS 27 CO -0.65 -0.37 0.56 1.96 -0.57 0.00 0.00 179.45 180.38 1xn8 h GLN 28 N -0.57 1.05 -0.18 3.15 4.20 -0.73 0.13 115.11 122.16 1xn8 h GLN 28 Ca 0.03 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1xn8 h GLN 28 Cb 0.61 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1xn8 h GLN 28 CO -0.22 0.70 0.10 -0.44 -0.67 0.00 0.00 178.83 178.29 1xn8 h ASP 29 N 1.08 0.23 -0.09 1.46 3.32 0.11 0.89 116.42 123.42 1xn8 h ASP 29 Ca 0.35 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.33 1xn8 h ASP 29 Cb 0.02 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1xn8 h ASP 29 CO -0.12 0.26 -0.05 0.40 -1.72 0.00 0.00 179.24 178.01 1xn8 h ILE 30 N 0.19 0.85 -0.83 0.35 2.04 0.20 -1.01 117.51 119.31 1xn8 h ILE 30 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1xn8 h ILE 30 Cb 0.08 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1xn8 h ILE 30 CO -0.01 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.50 1xn8 h LEU 31 N -0.04 1.06 -1.66 1.44 3.38 -0.50 -1.32 115.31 117.66 1xn8 h LEU 31 Ca 0.05 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.04 1xn8 h LEU 31 Cb 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1xn8 h LEU 31 CO -0.11 0.87 0.45 -0.08 0.09 0.00 0.00 178.44 179.66 1xn8 h GLU 32 N 1.16 0.34 -0.06 1.13 4.57 0.17 -0.24 114.58 121.65 1xn8 h GLU 32 Ca 0.29 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.30 1xn8 h GLU 32 Cb 0.07 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1xn8 h GLU 32 CO -0.04 0.23 -0.53 0.00 -1.18 0.00 0.00 179.01 177.49 1xn8 h ALA 33 N 1.67 0.14 -0.68 2.92 0.00 -0.13 -3.19 119.26 120.00 1xn8 h ALA 33 Ca 0.32 -0.53 0.14 0.00 0.00 0.00 0.00 54.91 54.85 1xn8 h ALA 33 Cb 0.78 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 1xn8 h ALA 33 CO -0.09 0.35 -0.08 1.15 0.00 0.00 0.00 179.25 180.59 1xn8 h THR 34 N 0.01 0.37 -0.81 0.00 2.02 -0.25 0.85 112.91 115.11 1xn8 h THR 34 Ca -0.05 -0.02 0.09 0.00 0.77 0.00 0.00 66.41 67.20 1xn8 h THR 34 Cb 1.20 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 1xn8 h THR 34 CO 0.11 0.01 0.53 0.00 0.37 0.00 0.00 175.52 176.53 1xn8 h ALA 35 N 1.65 1.73 0.39 6.16 0.00 -1.45 1.50 119.26 129.25 1xn8 h ALA 35 Ca 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1xn8 h ALA 35 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xn8 h ALA 35 CO -0.64 0.10 -0.19 0.22 0.00 0.00 0.00 179.25 178.75 1xn8 h ASP 36 N 0.76 -0.44 -0.24 0.00 3.58 0.59 0.98 116.42 121.65 1xn8 h ASP 36 Ca 0.37 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.68 1xn8 h ASP 36 Cb 0.42 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 1xn8 h ASP 36 CO -0.14 -0.09 0.10 0.40 -2.88 0.00 0.00 179.24 176.62 1xn8 h ILE 37 N -0.82 1.13 -0.09 2.25 2.04 0.01 0.75 117.51 122.77 1xn8 h ILE 37 Ca -0.05 -0.44 -0.18 0.00 1.00 0.00 0.00 64.86 65.19 1xn8 h ILE 37 Cb 0.54 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1xn8 h ILE 37 CO 0.09 0.16 -0.71 0.40 0.00 0.00 0.00 178.15 178.09 1xn8 h ILE 38 N 0.43 1.36 0.00 -0.67 2.04 0.23 -2.29 117.51 118.60 1xn8 h ILE 38 Ca 0.11 -2.09 -0.04 0.00 1.00 0.00 0.00 64.86 63.84 1xn8 h ILE 38 Cb 0.13 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1xn8 h ILE 38 CO -0.01 0.63 -0.17 -0.07 0.00 0.00 0.00 178.15 178.53 1xn8 h LEU 39 N 0.31 0.00 -0.01 1.44 3.38 0.23 1.46 115.31 122.12 1xn8 h LEU 39 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1xn8 h LEU 39 Cb 1.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.05 1xn8 h LEU 39 CO 0.12 0.17 -0.61 0.11 0.09 0.00 0.00 178.44 178.33 1xn8 h LYS 40 N 0.00 0.43 0.00 1.13 1.57 -0.60 -3.25 116.57 115.85 1xn8 h LYS 40 Ca -0.00 -0.45 -0.11 0.00 -1.87 0.00 0.00 60.65 58.22 1xn8 h LYS 40 Cb 0.71 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1xn8 h LYS 40 CO 0.02 1.11 -0.83 -0.39 -0.57 0.00 0.00 179.45 178.79 1xn8 h VAL 41 N -0.06 0.57 -3.78 0.50 -1.51 -1.23 -3.46 116.25 107.28 1xn8 h VAL 41 Ca -0.07 -1.90 -0.25 0.00 -1.23 0.00 0.00 66.70 63.25 1xn8 h VAL 41 Cb 1.31 2.15 0.08 0.00 -2.13 0.00 0.00 31.29 32.70 1xn8 h VAL 41 CO 0.12 0.32 -0.41 0.61 -1.23 0.00 0.00 177.57 176.98 1xn8 n GLY 42 N 1.27 0.01 3.52 5.19 0.00 0.50 -4.37 105.19 111.30 1xn8 n GLY 42 Ca -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.14 -1.07 0.38 1.61 3.76 -0.96 -5.03 115.29 110.84 1xn8 s HIS 43 Ca 0.33 1.99 -0.02 0.00 -0.15 0.00 0.00 55.06 57.21 1xn8 s HIS 43 Cb -0.14 0.59 -0.04 0.00 1.11 0.00 0.00 32.58 34.10 1xn8 s HIS 43 CO 0.41 -0.55 0.61 0.16 -0.85 0.00 0.00 174.74 174.52 1xn8 s ASP 44 N 2.30 6.31 -0.41 1.40 1.47 -1.26 -4.78 116.67 121.69 1xn8 s ASP 44 Ca -0.07 0.61 -0.05 0.00 1.18 0.00 0.00 52.55 54.23 1xn8 s ASP 44 Cb -0.10 -2.11 0.10 0.00 -0.34 0.00 0.00 42.92 40.48 1xn8 s ASP 44 CO -0.17 -0.36 0.22 -0.36 0.68 0.00 0.00 175.17 175.18 1xn8 s PHE 45 N -2.40 3.48 -0.04 2.11 0.08 -1.26 -4.85 117.98 115.10 1xn8 s PHE 45 Ca 0.42 -2.09 -0.00 0.00 0.12 0.00 0.00 56.93 55.38 1xn8 s PHE 45 Cb -0.10 -3.10 -0.02 0.00 -0.57 0.00 0.00 43.02 39.22 1xn8 s PHE 45 CO 0.38 -0.93 -0.03 0.45 -0.10 0.00 0.00 175.22 174.98 1xn8 n SER 46 N 4.71 3.20 -4.66 1.36 2.88 -1.26 -4.99 113.62 114.87 1xn8 n SER 46 Ca -0.06 -0.01 -0.42 0.00 -1.33 0.00 0.00 58.87 57.05 1xn8 n SER 46 Cb 0.42 -0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 1xn8 n SER 46 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1xn8 s ASP 47 N -4.50 6.57 0.43 -3.46 1.01 -1.26 -4.82 116.67 110.64 1xn8 s ASP 47 Ca -0.05 2.29 0.29 0.00 0.71 0.00 0.00 52.55 55.79 1xn8 s ASP 47 Cb 0.01 -2.53 1.55 0.00 1.01 0.00 0.00 42.92 42.96 1xn8 s ASP 47 CO 0.08 -1.00 1.89 0.00 0.21 0.00 0.00 175.17 176.35 1xn8 h ALA 48 N 9.98 1.00 -0.26 5.23 0.00 -1.99 0.38 119.26 133.59 1xn8 h ALA 48 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xn8 h ALA 48 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xn8 h ALA 48 CO 0.95 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.35 1xn8 n GLU 49 N -2.53 1.62 -2.73 0.00 0.28 -1.26 -4.20 120.64 111.82 1xn8 n GLU 49 Ca -0.02 -0.96 -0.08 0.00 -0.16 0.00 0.00 57.16 55.95 1xn8 n GLU 49 Cb 0.07 -1.21 0.07 0.00 1.43 0.00 0.00 31.44 31.79 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 0.28 -2.85 -3.19 -1.84 9.36 0.13 -5.03 117.16 114.02 1xn8 n TYR 50 Ca 0.09 -1.80 -0.21 0.00 3.32 0.00 0.00 57.90 59.30 1xn8 n TYR 50 Cb 0.23 1.55 -0.05 0.00 -0.63 0.00 0.00 39.34 40.44 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 1.04 -0.20 -2.37 2.97 5.41 -1.22 -4.58 119.36 120.42 1xn8 n ILE 51 Ca 0.07 -4.40 -0.33 0.00 1.00 0.00 0.00 62.75 59.08 1xn8 n ILE 51 Cb 0.67 -1.07 -0.02 0.00 -0.71 0.00 0.00 39.64 38.52 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 -1.95 3.65 -0.44 0.38 0.04 -1.26 -5.03 135.00 130.39 1xn8 s PRO 52 Ca 0.38 1.28 0.05 0.00 0.04 0.00 0.00 61.00 62.76 1xn8 s PRO 52 Cb 0.27 -2.08 0.20 0.00 0.04 0.00 0.00 34.50 32.93 1xn8 s PRO 52 CO -0.09 -0.55 0.43 -0.11 0.04 0.00 0.00 177.00 176.71 1xn8 n LEU 53 N -1.36 0.17 -4.81 -3.56 7.94 -1.26 -5.09 117.00 109.03 1xn8 n LEU 53 Ca 0.09 -4.58 -0.30 0.00 -1.11 0.00 0.00 56.01 50.11 1xn8 n LEU 53 Cb 0.53 0.43 0.09 0.00 0.53 0.00 0.00 43.42 44.99 1xn8 n LEU 53 CO 0.43 1.93 0.71 -2.16 -1.11 0.00 0.00 177.39 177.19 1xn8 s PRO 54 N -0.57 2.17 0.28 1.96 0.04 -1.26 -4.82 135.00 132.80 1xn8 s PRO 54 Ca 0.33 0.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.01 1xn8 s PRO 54 Cb 0.08 -1.93 0.39 0.00 0.04 0.00 0.00 34.50 33.09 1xn8 s PRO 54 CO -0.16 -1.57 1.93 1.49 0.04 0.00 0.00 177.00 178.74 1xn8 h GLU 55 N -1.05 1.16 -0.65 4.56 4.57 -1.99 -0.54 114.58 120.64 1xn8 h GLU 55 Ca -0.47 -0.07 0.09 0.00 -1.18 0.00 0.00 59.36 57.74 1xn8 h GLU 55 Cb 1.26 -0.26 -0.07 0.00 -0.16 0.00 0.00 28.75 29.52 1xn8 h GLU 55 CO 0.59 0.77 0.28 0.00 -1.18 0.00 0.00 179.01 179.47 1xn8 h THR 56 N 1.19 0.80 0.28 0.32 1.03 -1.92 0.36 112.91 114.97 1xn8 h THR 56 Ca 0.36 -0.17 -0.01 0.00 -0.01 0.00 0.00 66.41 66.58 1xn8 h THR 56 Cb -0.04 0.27 0.00 0.00 -1.07 0.00 0.00 68.15 67.31 1xn8 h THR 56 CO -0.10 0.09 -0.13 0.58 -0.01 0.00 0.00 175.52 175.95 1xn8 h VAL 57 N 0.49 0.70 -1.03 0.00 2.07 -1.59 0.18 116.25 117.06 1xn8 h VAL 57 Ca 0.33 -0.73 0.27 0.00 0.82 0.00 0.00 66.70 67.38 1xn8 h VAL 57 Cb 0.38 1.05 -0.12 0.00 -1.52 0.00 0.00 31.29 31.08 1xn8 h VAL 57 CO -0.29 0.14 0.62 0.03 0.02 0.00 0.00 177.57 178.09 1xn8 h ARG 58 N -0.81 0.47 -0.01 1.57 3.08 -0.70 0.58 114.38 118.57 1xn8 h ARG 58 Ca -0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1xn8 h ARG 58 Cb 0.51 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1xn8 h ARG 58 CO 0.06 0.31 -0.03 1.25 -1.07 0.00 0.00 179.97 180.49 1xn8 h LEU 59 N 0.48 0.04 -0.65 3.04 5.85 -0.19 0.13 115.31 124.01 1xn8 h LEU 59 Ca 0.65 -0.67 0.13 0.00 0.84 0.00 0.00 57.88 58.82 1xn8 h LEU 59 Cb 1.40 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.33 1xn8 h LEU 59 CO -0.44 0.70 0.17 0.00 -0.34 0.00 0.00 178.44 178.54 1xn8 h ALA 60 N 0.33 0.82 -0.27 1.25 0.00 0.19 0.84 119.26 122.41 1xn8 h ALA 60 Ca -0.00 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1xn8 h ALA 60 Cb 0.70 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1xn8 h ALA 60 CO 0.01 -0.29 -0.22 1.25 0.00 0.00 0.00 179.25 179.99 1xn8 h LEU 61 N 0.30 0.67 -1.33 0.00 7.12 0.01 0.41 115.31 122.49 1xn8 h LEU 61 Ca 0.35 -0.45 0.08 0.00 0.13 0.00 0.00 57.88 57.99 1xn8 h LEU 61 Cb 0.54 -0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 40.43 1xn8 h LEU 61 CO -0.42 0.98 0.51 -0.07 -0.13 0.00 0.00 178.44 179.31 1xn8 h LEU 62 N 0.37 0.70 0.06 2.25 3.38 0.12 1.37 115.31 123.55 1xn8 h LEU 62 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xn8 h LEU 62 Cb 0.77 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xn8 h LEU 62 CO 0.06 0.43 -0.03 0.11 0.09 0.00 0.00 178.44 179.10 1xn8 h LYS 63 N 0.78 -0.08 -0.32 1.13 1.57 0.85 0.49 116.57 120.99 1xn8 h LYS 63 Ca 0.35 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.17 1xn8 h LYS 63 Cb 0.34 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1xn8 h LYS 63 CO -0.13 0.49 0.13 -0.07 -0.57 0.00 0.00 179.45 179.29 1xn8 h LEU 64 N -0.73 0.15 -0.04 2.94 3.38 -0.24 0.57 115.31 121.34 1xn8 h LEU 64 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xn8 h LEU 64 Cb 0.60 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1xn8 h LEU 64 CO 0.01 0.13 0.03 0.28 0.09 0.00 0.00 178.44 178.98 1xn8 h SER 65 N 0.27 0.05 -0.22 -0.43 0.02 0.18 0.17 113.55 113.59 1xn8 h SER 65 Ca 0.14 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1xn8 h SER 65 Cb 0.10 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1xn8 h SER 65 CO -0.13 0.05 0.12 -0.61 -1.14 0.00 0.00 176.83 175.13 1xn8 h GLN 66 N 0.04 0.33 0.08 3.45 4.15 -0.40 0.71 115.11 123.47 1xn8 h GLN 66 Ca 0.02 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1xn8 h GLN 66 Cb 0.01 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1xn8 h GLN 66 CO -0.00 0.25 -0.04 0.35 -1.93 0.00 0.00 178.83 177.46 1xn8 h PHE 67 N 0.34 -0.10 -0.02 3.99 3.57 0.92 -2.17 116.94 123.47 1xn8 h PHE 67 Ca 0.09 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1xn8 h PHE 67 Cb 0.03 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1xn8 h PHE 67 CO 0.00 0.37 -0.00 1.88 -2.23 0.00 0.00 178.31 178.33 1xn8 h TYR 68 N -0.62 0.04 -0.39 0.41 0.05 -0.35 -1.76 116.97 114.34 1xn8 h TYR 68 Ca -0.01 -0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.88 1xn8 h TYR 68 Cb 0.51 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 1xn8 h TYR 68 CO 0.09 0.40 0.36 0.00 -1.05 0.00 0.00 178.16 177.96 1xn8 h ALA 69 N 0.63 2.17 -0.01 3.88 0.00 0.32 0.44 119.26 126.68 1xn8 h ALA 69 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1xn8 h ALA 69 Cb 0.39 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xn8 h ALA 69 CO 0.00 -0.56 -0.39 1.25 0.00 0.00 0.00 179.25 179.56 1xn8 h LEU 70 N 0.00 0.36 -3.25 0.00 5.85 -1.04 -3.16 115.31 114.08 1xn8 h LEU 70 Ca 0.19 -0.75 -0.31 0.00 0.84 0.00 0.00 57.88 57.85 1xn8 h LEU 70 Cb 0.90 -0.11 -0.18 0.00 0.37 0.00 0.00 40.66 41.64 1xn8 h LEU 70 CO -0.00 1.06 0.39 2.30 -0.34 0.00 0.00 178.44 181.85 1xn8 n ILE 71 N -4.39 2.38 0.36 4.05 -5.35 0.35 -3.42 119.36 113.35 1xn8 n ILE 71 Ca -0.10 -1.22 0.05 0.00 -0.27 0.00 0.00 62.75 61.21 1xn8 n ILE 71 Cb 0.56 -0.62 -0.07 0.00 -1.74 0.00 0.00 39.64 37.77 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 -0.48 1.11 0.00 7.28 3.02 0.13 -4.88 115.26 121.43 1xn8 n ASN 72 Ca 0.37 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1xn8 n ASN 72 Cb 1.23 1.17 0.00 0.00 -0.61 0.00 0.00 39.78 41.57 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 1.45 -1.83 1.37 7.41 0.00 -1.24 -4.84 105.19 107.51 1xn8 n GLY 73 Ca 0.01 0.81 0.06 0.00 0.00 0.00 0.00 46.02 46.90 1xn8 n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xn8 n ASP 74 N 0.00 4.00 -4.04 1.61 2.03 -1.22 -4.69 116.55 114.24 1xn8 n ASP 74 Ca 0.00 -2.48 -0.31 0.00 0.52 0.00 0.00 54.79 52.52 1xn8 n ASP 74 Cb 0.00 -0.56 -0.00 0.00 -0.72 0.00 0.00 41.12 39.84 1xn8 n ASP 74 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1xn8 n GLU 75 N 0.64 -4.07 0.00 -0.67 2.13 -1.26 -4.46 120.64 112.96 1xn8 n GLU 75 Ca 0.20 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1xn8 n GLU 75 Cb 0.80 -5.12 0.00 0.00 0.27 0.00 0.00 31.44 27.39 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1xn8 n SER 76 N -2.80 0.00 -4.77 4.31 2.88 -1.26 -5.13 113.62 106.86 1xn8 n SER 76 Ca -0.03 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.10 1xn8 n SER 76 Cb 0.55 0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 1xn8 n SER 76 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1xn8 s ILE 77 N -1.28 2.94 -0.73 2.46 1.01 -1.26 -4.85 121.20 119.49 1xn8 s ILE 77 Ca 0.00 0.94 -0.24 0.00 0.00 0.00 0.00 60.65 61.35 1xn8 s ILE 77 Cb 0.00 -3.60 -0.20 0.00 0.01 0.00 0.00 42.46 38.67 1xn8 s ILE 77 CO 0.00 0.23 1.87 -0.38 0.00 0.00 0.00 174.94 176.66 1xn8 n ILE 78 N 0.90 1.33 -2.01 2.92 -0.00 -1.24 -3.82 119.36 117.44 1xn8 n ILE 78 Ca -0.00 -1.23 0.00 0.00 -0.00 0.00 0.00 62.75 61.52 1xn8 n ILE 78 Cb 0.43 -2.20 -0.00 0.00 -0.00 0.00 0.00 39.64 37.87 1xn8 n ILE 78 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1xn8 n LYS 79 N 7.58 0.00 -3.29 0.38 3.00 -1.26 -4.64 118.16 119.93 1xn8 n LYS 79 Ca 0.47 -0.71 -0.46 0.00 -0.00 0.00 0.00 58.31 57.61 1xn8 n LYS 79 Cb 0.43 -0.33 -0.03 0.00 0.00 0.00 0.00 35.03 35.09 1xn8 n LYS 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1xn8 s GLY 80 N -0.71 2.34 0.36 3.14 0.00 -1.25 -4.69 107.32 106.50 1xn8 s GLY 80 Ca 0.01 -2.91 0.03 0.00 0.00 0.00 0.00 44.72 41.85 1xn8 s GLY 80 CO -0.00 1.29 0.09 -0.47 0.00 0.00 0.00 173.10 174.01 1xn8 s TYR 81 N 1.03 1.84 -1.10 1.90 6.14 -1.26 -5.02 117.35 120.88 1xn8 s TYR 81 Ca 0.12 -1.12 0.08 0.00 0.64 0.00 0.00 57.07 56.79 1xn8 s TYR 81 Cb -0.19 -1.19 0.35 0.00 0.42 0.00 0.00 41.96 41.35 1xn8 s TYR 81 CO -0.03 -0.16 1.13 2.41 0.64 0.00 0.00 175.55 179.54 1xn8 n THR 82 N -0.77 1.00 -4.10 4.34 -1.04 -1.26 -4.85 114.28 107.60 1xn8 n THR 82 Ca -0.04 -0.58 -0.09 0.00 -2.04 0.00 0.00 64.05 61.30 1xn8 n THR 82 Cb 0.66 -0.19 -0.10 0.00 -1.82 0.00 0.00 70.33 68.87 1xn8 n THR 82 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1xn8 s THR 83 N -1.72 0.39 0.00 12.58 -4.23 -1.26 -5.16 115.64 116.24 1xn8 s THR 83 Ca 0.24 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1xn8 s THR 83 Cb 0.17 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1xn8 s THR 83 CO 0.10 -0.85 0.00 -0.62 -0.54 0.00 0.00 174.62 172.70 1xn8 n GLU 84 N 0.33 0.65 -2.74 3.99 1.02 -1.26 -4.86 120.64 117.77 1xn8 n GLU 84 Ca -0.15 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.56 1xn8 n GLU 84 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.99 1xn8 n GLU 84 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1xn8 s LYS 85 N -0.65 4.27 0.00 3.49 -2.85 -1.26 -4.88 119.74 117.86 1xn8 s LYS 85 Ca 0.00 1.23 0.17 0.00 -1.00 0.00 0.00 55.97 56.37 1xn8 s LYS 85 Cb 0.00 -3.62 0.27 0.00 -2.06 0.00 0.00 37.83 32.42 1xn8 s LYS 85 CO 0.00 -0.53 1.19 -0.89 0.10 0.00 0.00 175.35 175.22 1xn8 n ILE 86 N 5.13 0.41 0.00 3.79 5.41 -1.26 -5.04 119.36 127.80 1xn8 n ILE 86 Ca 0.09 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1xn8 n ILE 86 Cb 0.47 1.01 0.00 0.00 -0.71 0.00 0.00 39.64 40.41 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 1.01 1.00 7.00 7.39 0.00 -1.26 -5.04 105.19 115.29 1xn8 n GLY 87 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 3.40 -3.78 -2.74 1.61 2.03 -1.26 -4.61 116.55 111.20 1xn8 n ASP 88 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1xn8 n ASP 88 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1xn8 n ASP 88 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xn8 n TYR 89 N -1.04 0.56 -2.26 -0.67 4.01 -1.26 -4.92 117.16 111.58 1xn8 n TYR 89 Ca 0.00 -2.32 -0.30 0.00 -0.16 0.00 0.00 57.90 55.12 1xn8 n TYR 89 Cb 0.00 0.05 0.01 0.00 -0.31 0.00 0.00 39.34 39.10 1xn8 n TYR 89 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1xn8 n SER 90 N -0.50 5.55 -1.25 7.72 7.64 -1.26 -4.71 113.62 126.81 1xn8 n SER 90 Ca 0.04 -3.76 0.05 0.00 1.01 0.00 0.00 58.87 56.22 1xn8 n SER 90 Cb 0.82 -0.62 0.24 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.53 1.14 -1.70 1.43 4.01 -1.26 -3.62 117.16 116.63 1xn8 n TYR 91 Ca 0.44 -0.41 -0.53 0.00 -0.16 0.00 0.00 57.90 57.24 1xn8 n TYR 91 Cb 0.58 -0.29 -0.06 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.45 0.45 -1.42 -0.72 -1.04 -1.26 -4.41 114.28 106.33 1xn8 n THR 92 Ca 0.16 -0.08 -0.29 0.00 -2.04 0.00 0.00 64.05 61.80 1xn8 n THR 92 Cb 0.74 -1.57 0.18 0.00 -1.82 0.00 0.00 70.33 67.86 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 3.84 1.70 0.47 -4.42 1.43 -0.55 -4.38 118.68 116.76 1xn8 s LEU 93 Ca 0.95 0.81 0.32 0.00 -1.03 0.00 0.00 54.13 55.18 1xn8 s LEU 93 Cb -0.87 -2.92 1.40 0.00 0.03 0.00 0.00 46.19 43.83 1xn8 s LEU 93 CO 0.58 -3.08 1.94 1.23 0.23 0.00 0.00 176.35 177.25 1xn8 h GLY 94 N -1.86 0.00 -2.39 -3.19 0.00 -1.92 -0.62 103.07 93.09 1xn8 h GLY 94 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1xn8 h GLY 94 CO 0.51 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.27 1xn8 n ASP 95 N -2.79 3.49 0.00 0.19 8.00 -1.26 -4.89 116.55 119.29 1xn8 n ASP 95 Ca 0.00 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.48 1xn8 n ASP 95 Cb 0.23 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1xn8 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xn8 n GLY 96 N 1.50 0.30 3.79 0.44 0.00 -0.24 -4.97 105.19 106.01 1xn8 n GLY 96 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.07 6.33 -1.12 1.61 0.01 -1.26 -4.72 113.70 112.48 1xn8 s SER 97 Ca 0.00 1.97 -0.07 0.00 1.31 0.00 0.00 55.95 59.16 1xn8 s SER 97 Cb 0.00 -2.57 0.28 0.00 0.21 0.00 0.00 66.02 63.95 1xn8 s SER 97 CO 0.00 -0.79 1.38 -1.54 0.41 0.00 0.00 173.24 172.70 1xn8 n SER 98 N -0.89 5.95 -4.47 2.44 3.41 -1.26 -1.48 113.62 117.31 1xn8 n SER 98 Ca 0.09 -3.24 -0.44 0.00 -0.26 0.00 0.00 58.87 55.02 1xn8 n SER 98 Cb 0.52 -1.34 -0.09 0.00 -0.26 0.00 0.00 64.21 63.04 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 2.22 1.45 -4.99 1.04 7.94 -1.26 -4.89 117.00 118.51 1xn8 n LEU 99 Ca 0.27 0.11 -0.19 0.00 -1.11 0.00 0.00 56.01 55.09 1xn8 n LEU 99 Cb 0.36 -1.20 0.03 0.00 0.53 0.00 0.00 43.42 43.13 1xn8 n LEU 99 CO 0.64 -0.96 0.28 0.00 -1.11 0.00 0.00 177.39 176.24 1xn8 s GLN 100 N 7.68 2.63 0.43 1.96 -2.07 -1.26 -5.00 119.66 124.04 1xn8 s GLN 100 Ca 1.16 -1.00 -0.25 0.00 -1.82 0.00 0.00 55.36 53.45 1xn8 s GLN 100 Cb -0.86 -2.60 -0.10 0.00 -1.09 0.00 0.00 33.01 28.36 1xn8 s GLN 100 CO 0.44 -0.55 1.15 1.63 -1.32 0.00 0.00 175.29 176.64 1xn8 n LYS 101 N -2.15 1.63 -2.54 9.60 4.01 -1.26 -4.94 118.16 122.52 1xn8 n LYS 101 Ca 0.08 0.58 -0.35 0.00 -0.51 0.00 0.00 58.31 58.12 1xn8 n LYS 101 Cb 0.59 -2.24 -0.04 0.00 -0.51 0.00 0.00 35.03 32.84 1xn8 n LYS 101 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1xn8 s PRO 102 N -2.17 3.97 -1.35 1.97 0.04 -1.26 -4.94 135.00 131.26 1xn8 s PRO 102 Ca 0.63 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 1xn8 s PRO 102 Cb -0.52 -2.31 0.07 0.00 0.04 0.00 0.00 34.50 31.77 1xn8 s PRO 102 CO 0.57 -0.30 1.90 -0.25 0.04 0.00 0.00 177.00 178.96 1xn8 n ASP 103 N -0.53 4.58 -0.82 6.66 8.00 -1.26 -4.52 116.55 128.67 1xn8 n ASP 103 Ca 0.07 -2.91 0.07 0.00 0.71 0.00 0.00 54.79 52.74 1xn8 n ASP 103 Cb 0.51 -1.69 0.20 0.00 -0.02 0.00 0.00 41.12 40.12 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 5.61 1.03 -0.01 2.53 0.24 -1.26 -4.49 118.33 121.98 1xn8 n VAL 104 Ca 0.49 -1.01 -0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1xn8 n VAL 104 Cb 0.43 0.49 0.30 0.00 -1.47 0.00 0.00 33.84 33.58 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 2.56 0.55 0.00 6.34 3.20 -1.98 -1.09 116.97 126.56 1xn8 h TYR 105 Ca 0.00 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 1xn8 h TYR 105 Cb 0.81 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1xn8 h TYR 105 CO 0.30 0.53 -0.27 0.00 -1.64 0.00 0.00 178.16 177.08 1xn8 h ALA 106 N 1.51 1.03 -0.20 1.82 0.00 -1.98 -1.44 119.26 120.01 1xn8 h ALA 106 Ca 0.11 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1xn8 h ALA 106 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xn8 h ALA 106 CO 0.01 0.34 -0.35 -0.07 0.00 0.00 0.00 179.25 179.17 1xn8 h LEU 107 N 0.00 0.66 -1.39 0.00 3.38 -1.51 -2.71 115.31 113.74 1xn8 h LEU 107 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1xn8 h LEU 107 Cb 0.77 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1xn8 h LEU 107 CO 0.04 1.07 0.00 2.30 0.09 0.00 0.00 178.44 181.93 1xn8 n ILE 108 N -4.29 0.60 -0.13 1.22 -5.35 -0.91 -4.10 119.36 106.40 1xn8 n ILE 108 Ca -0.06 -0.47 0.20 0.00 -0.27 0.00 0.00 62.75 62.16 1xn8 n ILE 108 Cb 0.51 0.08 0.61 0.00 -1.74 0.00 0.00 39.64 39.10 1xn8 n ILE 108 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1xn8 h LYS 109 N 1.85 0.18 -0.30 6.28 1.63 -0.92 0.99 116.57 126.29 1xn8 h LYS 109 Ca 0.00 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 1xn8 h LYS 109 Cb 0.59 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1xn8 h LYS 109 CO 0.05 0.12 -0.03 0.22 -3.45 0.00 0.00 179.45 176.36 1xn8 h ASP 110 N 0.19 0.54 -0.06 4.20 3.58 -1.80 -3.22 116.42 119.85 1xn8 h ASP 110 Ca 0.36 -0.33 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 1xn8 h ASP 110 Cb 1.14 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1xn8 h ASP 110 CO -0.07 0.75 -0.20 1.88 -2.88 0.00 0.00 179.24 178.72 1xn8 h TYR 111 N 0.33 0.31 -1.07 0.28 -1.99 -0.84 -3.44 116.97 110.54 1xn8 h TYR 111 Ca 0.08 -0.13 -0.80 0.00 2.00 0.00 0.00 58.73 59.89 1xn8 h TYR 111 Cb 0.49 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.17 1xn8 h TYR 111 CO 0.04 0.82 0.92 0.28 -0.00 0.00 0.00 178.16 180.22 1xn8 n VAL 112 N -4.55 0.13 -3.89 -2.88 0.31 0.31 -4.88 118.33 102.88 1xn8 n VAL 112 Ca -0.08 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 63.92 1xn8 n VAL 112 Cb 0.43 -0.86 -0.13 0.00 -0.91 0.00 0.00 33.84 32.36 1xn8 n VAL 112 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1xn8 s LYS 113 N 3.90 2.13 0.84 5.55 1.02 -1.26 -4.91 119.74 127.00 1xn8 s LYS 113 Ca 1.05 -2.92 -0.14 0.00 0.02 0.00 0.00 55.97 53.98 1xn8 s LYS 113 Cb -1.29 -3.24 0.20 0.00 -0.52 0.00 0.00 37.83 32.99 1xn8 s LYS 113 CO 0.71 -1.21 0.93 -0.35 -0.92 0.00 0.00 175.35 174.51 1xn8 n PRO 114 N 2.58 -1.80 -2.94 -1.68 -0.04 -1.26 -4.99 135.00 124.87 1xn8 n PRO 114 Ca 0.13 -1.46 -0.35 0.00 -0.04 0.00 0.00 63.50 61.79 1xn8 n PRO 114 Cb 0.34 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 1xn8 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xn8 n ALA 115 N -4.04 5.14 -2.46 0.55 0.00 -1.26 -5.00 120.51 113.44 1xn8 n ALA 115 Ca -0.16 -4.71 -0.26 0.00 0.00 0.00 0.00 53.44 48.31 1xn8 n ALA 115 Cb 0.45 -1.54 -0.15 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.29 2.50 0.19 0.00 2.15 -1.26 -5.15 116.67 112.80 1xn8 s ASP 116 Ca 0.41 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.90 1xn8 s ASP 116 Cb 0.18 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.58 1xn8 s ASP 116 CO -0.07 0.19 0.00 -0.81 -0.17 0.00 0.00 175.17 174.31 1xn8 n PRO 117 N 2.05 0.72 -0.95 4.34 -0.04 -1.26 -4.89 135.00 134.97 1xn8 n PRO 117 Ca -0.17 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 1xn8 n PRO 117 Cb 0.53 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.56 6.50 0.08 3.54 2.03 -1.26 -4.05 116.55 122.83 1xn8 n ASP 118 Ca 0.00 -3.17 0.12 0.00 0.52 0.00 0.00 54.79 52.26 1xn8 n ASP 118 Cb 0.00 -1.03 0.03 0.00 -0.72 0.00 0.00 41.12 39.40 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 0.12 0.75 -4.23 -2.67 -0.00 -1.26 -4.88 117.00 104.83 1xn8 n LEU 119 Ca 0.35 0.25 -0.35 0.00 -0.00 0.00 0.00 56.01 56.26 1xn8 n LEU 119 Cb 0.62 -0.09 0.07 0.00 -0.00 0.00 0.00 43.42 44.03 1xn8 n LEU 119 CO 0.44 -0.13 -0.64 1.21 -0.00 0.00 0.00 177.39 178.28 1xn8 n GLU 120 N -2.46 -0.06 -1.53 1.47 0.00 -1.26 -4.53 120.64 112.27 1xn8 n GLU 120 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.97 1xn8 n GLU 120 Cb 0.52 -1.42 -0.13 0.00 0.00 0.00 0.00 31.44 30.40 1xn8 n GLU 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xn8 n GLY 121 N 2.44 -0.28 3.10 8.31 0.00 -1.26 -4.84 105.19 112.67 1xn8 n GLY 121 Ca 0.04 0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 8.75 0.66 0.00 -0.61 1.01 -1.26 -4.74 121.20 125.01 1xn8 s ILE 122 Ca 1.11 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1xn8 s ILE 122 Cb -0.47 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1xn8 s ILE 122 CO 0.30 -0.47 0.00 1.21 0.00 0.00 0.00 174.94 175.99 1xn8 n GLU 123 N 1.10 -0.52 -0.11 2.79 2.13 -1.26 -4.81 120.64 119.96 1xn8 n GLU 123 Ca -0.20 0.13 -0.18 0.00 0.66 0.00 0.00 57.16 57.56 1xn8 n GLU 123 Cb 0.56 -3.69 -0.07 0.00 0.27 0.00 0.00 31.44 28.52 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 0.92 0.15 4.31 0.00 -1.26 -3.53 120.51 122.10 1xn8 n ALA 124 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 53.44 52.48 1xn8 n ALA 124 Cb 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.35 -0.30 0.00 3.64 -1.88 -2.76 116.57 113.92 1xn8 h LYS 125 Ca -0.32 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1xn8 h LYS 125 Cb 1.21 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 1xn8 h LYS 125 CO -0.20 -0.11 -0.14 0.28 -2.27 0.00 0.00 179.45 177.02 1xn8 h VAL 126 N -0.56 0.57 -1.22 2.00 2.07 -1.96 1.17 116.25 118.33 1xn8 h VAL 126 Ca -0.04 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.84 1xn8 h VAL 126 Cb 0.41 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1xn8 h VAL 126 CO 0.06 0.00 0.90 0.03 0.02 0.00 0.00 177.57 178.58 1xn8 h ARG 127 N -0.09 0.00 0.01 1.57 3.08 -1.58 0.59 114.38 117.97 1xn8 h ARG 127 Ca 0.16 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.90 1xn8 h ARG 127 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1xn8 h ARG 127 CO -0.36 0.00 -1.67 -0.12 -1.07 0.00 0.00 179.97 176.75 1xn8 n MET 128 N -4.11 0.59 -0.15 0.04 1.56 0.10 -4.05 117.12 111.10 1xn8 n MET 128 Ca 0.26 0.46 0.29 0.00 -0.27 0.00 0.00 57.70 58.44 1xn8 n MET 128 Cb 1.29 -1.68 0.68 0.00 2.15 0.00 0.00 33.22 35.67 1xn8 n MET 128 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 1xn8 h ARG 129 N -0.88 0.00 -1.13 2.12 1.12 0.27 0.86 114.38 116.73 1xn8 h ARG 129 Ca -0.45 0.00 -0.63 0.00 -1.11 0.00 0.00 59.98 57.79 1xn8 h ARG 129 Cb 1.46 0.00 -0.36 0.00 -0.01 0.00 0.00 29.97 31.06 1xn8 h ARG 129 CO -0.24 0.00 0.00 0.45 -3.11 0.00 0.00 179.97 177.07 1xn8 n SER 130 N -3.77 6.15 0.00 -3.80 2.88 0.05 -5.06 113.62 110.08 1xn8 n SER 130 Ca 0.19 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.96 1xn8 n SER 130 Cb 1.10 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1xn8 n SER 130 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43