#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 -0.89 -0.00 -1.26 -4.95 117.00 109.90 1xn8 n LEU 2 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 56.01 56.50 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 0.18 -0.00 0.00 0.00 177.39 177.57 1xn8 n LEU 3 N -0.78 0.00 -4.69 -1.96 4.32 -1.26 -5.15 117.00 107.49 1xn8 n LEU 3 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.70 1xn8 n LEU 3 Cb 0.00 0.00 0.16 0.00 -1.62 0.00 0.00 43.42 41.96 1xn8 n LEU 3 CO 0.00 0.00 0.65 0.27 -1.22 0.00 0.00 177.39 177.09 1xn8 s ILE 4 N 0.00 2.37 0.36 -0.08 -4.36 -1.26 -5.07 121.20 113.16 1xn8 s ILE 4 Ca 0.00 0.12 0.09 0.00 -0.26 0.00 0.00 60.65 60.60 1xn8 s ILE 4 Cb 0.00 -2.58 -0.07 0.00 1.25 0.00 0.00 42.46 41.06 1xn8 s ILE 4 CO 0.00 -0.16 -0.07 0.28 0.24 0.00 0.00 174.94 175.24 1xn8 s THR 5 N -2.92 2.16 0.19 8.37 -1.32 -1.26 -4.90 115.64 115.96 1xn8 s THR 5 Ca 0.65 -2.15 0.03 0.00 -1.21 0.00 0.00 61.69 59.01 1xn8 s THR 5 Cb -0.19 -2.73 -0.12 0.00 -1.51 0.00 0.00 72.50 67.95 1xn8 s THR 5 CO 0.58 -0.15 1.43 1.55 -2.21 0.00 0.00 174.62 175.81 1xn8 h PRO 6 N 1.96 0.19 -0.98 7.08 0.13 -1.93 -3.09 132.00 135.36 1xn8 h PRO 6 Ca -0.42 -0.19 0.25 0.00 -0.87 0.00 0.00 66.00 64.77 1xn8 h PRO 6 Cb 1.25 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.36 1xn8 h PRO 6 CO 0.73 0.89 0.66 -0.44 -0.23 0.00 0.00 178.00 179.61 1xn8 h ASP 7 N 0.12 0.31 0.35 1.44 3.32 -1.98 0.54 116.42 120.52 1xn8 h ASP 7 Ca -0.03 0.05 -0.26 0.00 0.02 0.00 0.00 57.03 56.80 1xn8 h ASP 7 Cb 1.39 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.95 1xn8 h ASP 7 CO 0.12 0.09 -1.11 -0.33 -1.72 0.00 0.00 179.24 176.29 1xn8 h GLU 8 N 0.29 0.44 -0.43 3.56 4.39 -1.96 -2.44 114.58 118.42 1xn8 h GLU 8 Ca 0.52 -0.56 0.08 0.00 0.34 0.00 0.00 59.36 59.74 1xn8 h GLU 8 Cb 1.50 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 30.26 1xn8 h GLU 8 CO -0.17 1.21 -0.01 1.25 -1.16 0.00 0.00 179.01 180.13 1xn8 h LEU 9 N 0.20 -0.20 -0.84 1.33 5.85 0.05 0.37 115.31 122.07 1xn8 h LEU 9 Ca -0.13 0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 1xn8 h LEU 9 Cb 1.78 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 1xn8 h LEU 9 CO 0.20 -0.06 -0.47 0.07 -0.34 0.00 0.00 178.44 177.83 1xn8 h LYS 10 N 0.10 0.25 -0.80 1.25 2.10 -1.38 0.56 116.57 118.65 1xn8 h LYS 10 Ca 0.21 -0.14 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1xn8 h LYS 10 Cb 0.31 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.61 1xn8 h LYS 10 CO -0.36 0.68 0.45 1.03 -2.00 0.00 0.00 179.45 179.24 1xn8 h SER 11 N 0.21 0.99 0.10 7.07 0.87 -0.33 -3.10 113.55 119.36 1xn8 h SER 11 Ca 0.01 -0.08 -0.27 0.00 -1.23 0.00 0.00 61.79 60.22 1xn8 h SER 11 Cb 0.91 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1xn8 h SER 11 CO 0.07 0.79 -1.40 0.22 -0.53 0.00 0.00 176.83 175.99 1xn8 h TYR 12 N 1.12 0.40 -3.25 2.24 3.20 -0.12 -3.45 116.97 117.11 1xn8 h TYR 12 Ca 0.28 -0.29 -0.58 0.00 3.14 0.00 0.00 58.73 61.28 1xn8 h TYR 12 Cb 0.01 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 1xn8 h TYR 12 CO 0.01 1.55 0.51 0.45 -1.64 0.00 0.00 178.16 179.03 1xn8 s SER 13 N -7.00 7.00 -0.28 -2.11 0.15 0.19 -4.91 113.70 106.74 1xn8 s SER 13 Ca -0.21 1.24 0.06 0.00 0.70 0.00 0.00 55.95 57.74 1xn8 s SER 13 Cb 0.04 -2.48 0.54 0.00 -1.71 0.00 0.00 66.02 62.42 1xn8 s SER 13 CO 0.75 -0.48 1.61 1.33 1.20 0.00 0.00 173.24 177.65 1xn8 n VAL 14 N 4.91 2.47 -3.45 4.45 0.24 -1.26 -4.51 118.33 121.18 1xn8 n VAL 14 Ca 0.07 -1.31 -0.37 0.00 -2.04 0.00 0.00 64.34 60.68 1xn8 n VAL 14 Cb 0.48 -0.51 -0.06 0.00 -1.47 0.00 0.00 33.84 32.28 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 -2.43 3.56 0.29 6.34 0.08 -1.26 -4.97 117.98 119.58 1xn8 s PHE 15 Ca 0.42 0.82 0.03 0.00 0.12 0.00 0.00 56.93 58.33 1xn8 s PHE 15 Cb 0.35 -2.40 0.43 0.00 -0.57 0.00 0.00 43.02 40.83 1xn8 s PHE 15 CO 0.10 0.34 1.73 1.49 -0.10 0.00 0.00 175.22 178.77 1xn8 h GLU 16 N 6.10 0.44 -0.69 0.44 4.81 -1.99 -2.18 114.58 121.52 1xn8 h GLU 16 Ca -0.44 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 58.64 1xn8 h GLU 16 Cb 1.19 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 1xn8 h GLU 16 CO 0.71 0.68 0.43 0.77 -0.73 0.00 0.00 179.01 180.87 1xn8 h SER 17 N 0.39 0.71 -0.52 1.04 0.02 -1.90 0.53 113.55 113.83 1xn8 h SER 17 Ca 0.06 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 1xn8 h SER 17 Cb 0.67 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1xn8 h SER 17 CO 0.05 0.50 -0.09 0.58 -1.14 0.00 0.00 176.83 176.72 1xn8 h VAL 18 N 0.85 1.27 0.30 2.27 2.07 -1.65 -2.00 116.25 119.36 1xn8 h VAL 18 Ca 0.27 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1xn8 h VAL 18 Cb 0.01 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1xn8 h VAL 18 CO -0.10 0.43 -0.14 0.11 0.02 0.00 0.00 177.57 177.89 1xn8 h LYS 19 N 0.85 -0.38 -0.00 1.57 6.56 -0.70 -1.59 116.57 122.87 1xn8 h LYS 19 Ca 0.14 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 1xn8 h LYS 19 Cb 0.65 0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 32.40 1xn8 h LYS 19 CO 0.04 -0.18 0.15 1.79 -2.06 0.00 0.00 179.45 179.19 1xn8 h THR 20 N -0.50 0.00 -3.45 -0.16 1.35 0.11 -3.41 112.91 106.85 1xn8 h THR 20 Ca -0.04 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.30 1xn8 h THR 20 Cb 0.38 0.85 0.01 0.00 -1.73 0.00 0.00 68.15 67.66 1xn8 h THR 20 CO 0.07 0.00 0.55 -0.60 -0.25 0.00 0.00 175.52 175.29 1xn8 s ARG 21 N -4.13 4.50 0.63 4.72 6.06 -0.60 -5.01 118.95 125.11 1xn8 s ARG 21 Ca -0.04 1.84 -0.14 0.00 -2.50 0.00 0.00 55.73 54.89 1xn8 s ARG 21 Cb 0.11 -3.26 -0.02 0.00 0.06 0.00 0.00 34.95 31.84 1xn8 s ARG 21 CO 0.35 -0.09 1.05 -1.25 -2.50 0.00 0.00 175.30 172.86 1xn8 s PRO 22 N -0.08 3.21 0.25 5.12 0.04 -1.26 -4.85 135.00 137.43 1xn8 s PRO 22 Ca 0.53 1.08 -0.03 0.00 0.04 0.00 0.00 61.00 62.62 1xn8 s PRO 22 Cb -0.32 -2.02 0.31 0.00 0.04 0.00 0.00 34.50 32.51 1xn8 s PRO 22 CO 0.35 -0.89 1.80 -0.44 0.04 0.00 0.00 177.00 177.86 1xn8 h ASP 23 N 0.00 0.88 -0.80 6.66 3.32 -1.95 0.31 116.42 124.84 1xn8 h ASP 23 Ca -0.46 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 56.51 1xn8 h ASP 23 Cb 1.21 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 1xn8 h ASP 23 CO 0.57 0.85 0.47 -0.08 -1.72 0.00 0.00 179.24 179.33 1xn8 h GLU 24 N 0.90 0.81 0.04 3.56 4.81 -1.99 0.69 114.58 123.40 1xn8 h GLU 24 Ca 0.20 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 1xn8 h GLU 24 Cb 0.31 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 29.52 1xn8 h GLU 24 CO -0.00 0.54 -0.71 -0.07 -0.73 0.00 0.00 179.01 178.04 1xn8 h LEU 25 N 0.83 0.56 -0.98 1.64 3.38 -1.81 -2.96 115.31 115.97 1xn8 h LEU 25 Ca 0.37 -0.80 0.10 0.00 0.09 0.00 0.00 57.88 57.63 1xn8 h LEU 25 Cb 0.25 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 1xn8 h LEU 25 CO -0.20 1.30 0.61 -0.07 0.09 0.00 0.00 178.44 180.17 1xn8 h LEU 26 N -0.12 0.93 0.78 1.67 3.38 0.18 0.17 115.31 122.30 1xn8 h LEU 26 Ca -0.10 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1xn8 h LEU 26 Cb 1.44 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1xn8 h LEU 26 CO 0.14 0.54 -0.43 0.11 0.09 0.00 0.00 178.44 178.89 1xn8 h LYS 27 N 1.03 -1.08 -0.42 1.13 1.57 0.36 1.29 116.57 120.46 1xn8 h LYS 27 Ca 0.46 0.07 0.12 0.00 -1.87 0.00 0.00 60.65 59.43 1xn8 h LYS 27 Cb 0.35 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1xn8 h LYS 27 CO -0.23 -0.72 0.32 1.96 -0.57 0.00 0.00 179.45 180.22 1xn8 h GLN 28 N -1.12 0.00 0.03 3.15 4.20 -1.23 0.83 115.11 120.98 1xn8 h GLN 28 Ca -0.10 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1xn8 h GLN 28 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1xn8 h GLN 28 CO 0.14 0.00 -0.01 -0.44 -0.67 0.00 0.00 178.83 177.85 1xn8 h ASP 29 N 0.00 -0.03 -0.41 1.46 3.32 0.21 -2.35 116.42 118.61 1xn8 h ASP 29 Ca 0.20 -0.68 0.09 0.00 0.02 0.00 0.00 57.03 56.65 1xn8 h ASP 29 Cb 0.84 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.32 1xn8 h ASP 29 CO -0.00 0.74 -0.15 0.40 -1.72 0.00 0.00 179.24 178.51 1xn8 h ILE 30 N -0.89 0.50 -0.32 0.35 2.04 0.27 0.45 117.51 119.93 1xn8 h ILE 30 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1xn8 h ILE 30 Cb 0.71 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1xn8 h ILE 30 CO 0.01 0.00 0.21 -0.07 0.00 0.00 0.00 178.15 178.30 1xn8 h LEU 31 N -0.06 0.35 -1.21 1.44 3.38 -0.98 -0.41 115.31 117.82 1xn8 h LEU 31 Ca 0.20 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1xn8 h LEU 31 Cb 0.36 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1xn8 h LEU 31 CO -0.46 0.25 0.54 -0.08 0.09 0.00 0.00 178.44 178.79 1xn8 h GLU 32 N 0.41 1.02 -0.00 1.13 4.57 0.44 -1.47 114.58 120.69 1xn8 h GLU 32 Ca 0.12 -0.06 -0.22 0.00 -1.18 0.00 0.00 59.36 58.01 1xn8 h GLU 32 Cb -0.03 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.34 1xn8 h GLU 32 CO -0.03 0.68 -0.94 0.00 -1.18 0.00 0.00 179.01 177.54 1xn8 h ALA 33 N 1.51 0.37 -0.89 2.92 0.00 -0.10 -3.13 119.26 119.93 1xn8 h ALA 33 Ca 0.31 -0.71 0.16 0.00 0.00 0.00 0.00 54.91 54.67 1xn8 h ALA 33 Cb -0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1xn8 h ALA 33 CO -0.08 0.82 0.58 1.15 0.00 0.00 0.00 179.25 181.71 1xn8 h THR 34 N 0.23 0.80 -0.31 0.00 2.02 -0.20 0.13 112.91 115.58 1xn8 h THR 34 Ca -0.08 -0.22 -0.12 0.00 0.77 0.00 0.00 66.41 66.76 1xn8 h THR 34 Cb 1.57 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1xn8 h THR 34 CO 0.16 0.12 -0.29 0.00 0.37 0.00 0.00 175.52 175.88 1xn8 h ALA 35 N 1.61 0.45 0.44 6.16 0.00 -1.38 0.92 119.26 127.46 1xn8 h ALA 35 Ca 0.46 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xn8 h ALA 35 Cb 0.81 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1xn8 h ALA 35 CO -0.21 0.47 -0.36 0.22 0.00 0.00 0.00 179.25 179.38 1xn8 h ASP 36 N 0.50 -0.94 -0.07 0.00 1.82 -0.80 1.09 116.42 118.03 1xn8 h ASP 36 Ca 0.05 0.07 0.02 0.00 -0.39 0.00 0.00 57.03 56.78 1xn8 h ASP 36 Cb 0.86 0.30 -0.02 0.00 0.68 0.00 0.00 39.33 41.16 1xn8 h ASP 36 CO 0.07 -0.52 -0.04 0.40 -1.61 0.00 0.00 179.24 177.54 1xn8 h ILE 37 N -0.79 0.86 -0.78 2.25 2.04 -1.00 0.76 117.51 120.85 1xn8 h ILE 37 Ca -0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.92 1xn8 h ILE 37 Cb 0.69 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 1xn8 h ILE 37 CO -0.02 0.00 0.51 0.40 0.00 0.00 0.00 178.15 179.04 1xn8 h ILE 38 N -0.05 0.93 0.00 -0.67 2.04 -0.52 0.44 117.51 119.68 1xn8 h ILE 38 Ca 0.04 -0.23 -0.16 0.00 1.00 0.00 0.00 64.86 65.52 1xn8 h ILE 38 Cb 0.11 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1xn8 h ILE 38 CO -0.10 0.12 -0.75 -0.07 0.00 0.00 0.00 178.15 177.36 1xn8 h LEU 39 N 0.68 0.00 -0.14 1.44 3.38 0.26 0.88 115.31 121.81 1xn8 h LEU 39 Ca 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 1xn8 h LEU 39 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1xn8 h LEU 39 CO -0.14 0.75 -0.16 0.11 0.09 0.00 0.00 178.44 179.10 1xn8 h LYS 40 N 0.00 0.35 0.00 1.13 1.57 0.42 -3.15 116.57 116.89 1xn8 h LYS 40 Ca -0.01 -0.19 -0.20 0.00 -1.87 0.00 0.00 60.65 58.38 1xn8 h LYS 40 Cb 1.34 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.63 1xn8 h LYS 40 CO 0.10 0.75 -0.96 -0.39 -0.57 0.00 0.00 179.45 178.38 1xn8 h VAL 41 N -0.03 1.68 -2.31 0.50 -1.51 -0.32 -3.43 116.25 110.83 1xn8 h VAL 41 Ca 0.02 -3.31 -0.10 0.00 -1.23 0.00 0.00 66.70 62.09 1xn8 h VAL 41 Cb 0.69 2.79 0.04 0.00 -2.13 0.00 0.00 31.29 32.68 1xn8 h VAL 41 CO 0.04 0.94 -0.17 0.61 -1.23 0.00 0.00 177.57 177.76 1xn8 n GLY 42 N 1.27 0.53 3.54 5.19 0.00 0.30 -3.24 105.19 112.79 1xn8 n GLY 42 Ca -0.00 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.08 -0.23 0.62 1.61 -3.43 -0.67 -5.02 115.29 105.10 1xn8 s HIS 43 Ca 0.12 0.44 0.05 0.00 -0.80 0.00 0.00 55.06 54.87 1xn8 s HIS 43 Cb -0.05 0.14 0.10 0.00 -1.43 0.00 0.00 32.58 31.33 1xn8 s HIS 43 CO 0.18 -0.11 0.86 0.16 -2.00 0.00 0.00 174.74 173.83 1xn8 s ASP 44 N 1.40 4.83 -0.61 7.38 1.47 -1.26 -4.74 116.67 125.15 1xn8 s ASP 44 Ca -0.06 -0.64 0.04 0.00 1.18 0.00 0.00 52.55 53.08 1xn8 s ASP 44 Cb -0.03 0.12 0.15 0.00 -0.34 0.00 0.00 42.92 42.83 1xn8 s ASP 44 CO -0.13 -1.52 0.39 -0.36 0.68 0.00 0.00 175.17 174.23 1xn8 s PHE 45 N -2.84 3.17 -0.23 2.11 0.08 -1.26 -4.89 117.98 114.13 1xn8 s PHE 45 Ca 0.63 -3.16 -0.18 0.00 0.12 0.00 0.00 56.93 54.34 1xn8 s PHE 45 Cb -0.06 -2.58 -0.17 0.00 -0.57 0.00 0.00 43.02 39.64 1xn8 s PHE 45 CO 0.41 -0.65 0.04 0.45 -0.10 0.00 0.00 175.22 175.37 1xn8 n SER 46 N 2.52 1.90 -4.57 1.36 2.88 -1.26 -4.83 113.62 111.63 1xn8 n SER 46 Ca 0.14 0.38 -0.49 0.00 -1.33 0.00 0.00 58.87 57.58 1xn8 n SER 46 Cb 0.35 -0.91 -0.05 0.00 -0.75 0.00 0.00 64.21 62.84 1xn8 n SER 46 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1xn8 n ASP 47 N -4.32 2.82 0.27 -3.46 9.92 -1.26 -4.76 116.55 115.76 1xn8 n ASP 47 Ca -0.39 0.59 0.16 0.00 -0.53 0.00 0.00 54.79 54.62 1xn8 n ASP 47 Cb 0.77 -1.35 0.87 0.00 -0.64 0.00 0.00 41.12 40.77 1xn8 n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xn8 h ALA 48 N 11.59 1.10 -0.23 2.24 0.00 -2.00 0.72 119.26 132.67 1xn8 h ALA 48 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xn8 h ALA 48 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xn8 h ALA 48 CO 0.98 -0.10 0.00 -0.85 0.00 0.00 0.00 179.25 179.28 1xn8 n GLU 49 N -2.71 1.65 -2.73 0.00 0.28 -1.26 -4.19 120.64 111.68 1xn8 n GLU 49 Ca -0.02 -0.88 -0.08 0.00 -0.16 0.00 0.00 57.16 56.02 1xn8 n GLU 49 Cb 0.16 -1.26 0.07 0.00 1.43 0.00 0.00 31.44 31.83 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 0.20 -2.79 -3.31 -1.84 9.36 0.25 -5.04 117.16 113.98 1xn8 n TYR 50 Ca 0.08 -1.68 -0.26 0.00 3.32 0.00 0.00 57.90 59.37 1xn8 n TYR 50 Cb 0.25 1.52 -0.08 0.00 -0.63 0.00 0.00 39.34 40.40 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 1.27 0.84 -1.65 2.97 5.41 -1.23 -4.56 119.36 122.42 1xn8 n ILE 51 Ca 0.07 -4.62 -0.31 0.00 1.00 0.00 0.00 62.75 58.89 1xn8 n ILE 51 Cb 0.66 -2.03 0.04 0.00 -0.71 0.00 0.00 39.64 37.61 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 -1.82 3.01 -0.48 0.38 0.04 -1.26 -5.04 135.00 129.82 1xn8 s PRO 52 Ca 0.37 0.99 0.06 0.00 0.04 0.00 0.00 61.00 62.47 1xn8 s PRO 52 Cb 0.16 -2.00 0.20 0.00 0.04 0.00 0.00 34.50 32.90 1xn8 s PRO 52 CO -0.06 -1.04 0.65 -0.11 0.04 0.00 0.00 177.00 176.47 1xn8 n LEU 53 N -2.95 -2.43 0.00 -3.56 7.94 -1.26 -5.08 117.00 109.67 1xn8 n LEU 53 Ca 0.08 -3.45 0.00 0.00 -1.11 0.00 0.00 56.01 51.53 1xn8 n LEU 53 Cb 0.53 0.71 0.00 0.00 0.53 0.00 0.00 43.42 45.20 1xn8 n LEU 53 CO 0.54 1.94 0.00 -0.81 -1.11 0.00 0.00 177.39 177.95 1xn8 n PRO 54 N 2.61 -0.42 0.06 1.96 -0.04 -1.26 -4.86 135.00 133.06 1xn8 n PRO 54 Ca 0.20 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1xn8 n PRO 54 Cb 0.55 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.09 0.49 0.54 4.81 -2.00 -2.88 114.58 115.63 1xn8 h GLU 55 Ca 0.00 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1xn8 h GLU 55 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1xn8 h GLU 55 CO 0.00 1.00 -0.24 1.79 -0.73 0.00 0.00 179.01 180.84 1xn8 h THR 56 N 0.02 0.49 0.34 0.32 1.35 -1.94 0.44 112.91 113.94 1xn8 h THR 56 Ca -0.09 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 1xn8 h THR 56 Cb 1.87 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 1xn8 h THR 56 CO 0.14 0.04 -0.25 0.58 -0.25 0.00 0.00 175.52 175.78 1xn8 h VAL 57 N -0.80 0.48 -0.83 6.82 2.07 -1.82 1.15 116.25 123.32 1xn8 h VAL 57 Ca -0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.59 1xn8 h VAL 57 Cb 0.57 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1xn8 h VAL 57 CO 0.11 0.00 0.54 0.03 0.02 0.00 0.00 177.57 178.27 1xn8 h ARG 58 N -0.58 0.59 -0.04 1.57 3.08 -1.50 0.68 114.38 118.18 1xn8 h ARG 58 Ca -0.03 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1xn8 h ARG 58 Cb 0.50 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1xn8 h ARG 58 CO 0.01 0.39 -0.15 1.25 -1.07 0.00 0.00 179.97 180.40 1xn8 h LEU 59 N 0.61 0.19 -0.87 3.04 5.85 0.78 0.27 115.31 125.18 1xn8 h LEU 59 Ca 0.41 -0.64 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1xn8 h LEU 59 Cb 0.73 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1xn8 h LEU 59 CO -0.17 0.80 0.55 0.00 -0.34 0.00 0.00 178.44 179.29 1xn8 h ALA 60 N 0.39 1.18 -0.25 1.25 0.00 0.26 0.47 119.26 122.57 1xn8 h ALA 60 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1xn8 h ALA 60 Cb 0.79 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xn8 h ALA 60 CO 0.03 0.35 -0.39 1.25 0.00 0.00 0.00 179.25 180.49 1xn8 h LEU 61 N 1.04 0.77 -0.59 0.00 7.12 0.32 -0.17 115.31 123.80 1xn8 h LEU 61 Ca 0.37 -0.52 0.03 0.00 0.13 0.00 0.00 57.88 57.88 1xn8 h LEU 61 Cb 0.09 -0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 39.96 1xn8 h LEU 61 CO -0.15 1.14 0.36 -0.07 -0.13 0.00 0.00 178.44 179.60 1xn8 h LEU 62 N 0.42 0.58 0.01 2.25 3.38 0.47 1.08 115.31 123.50 1xn8 h LEU 62 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xn8 h LEU 62 Cb 0.99 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1xn8 h LEU 62 CO 0.09 0.41 -0.01 0.11 0.09 0.00 0.00 178.44 179.13 1xn8 h LYS 63 N 0.71 -0.01 -0.59 1.13 1.57 -0.01 -0.31 116.57 119.05 1xn8 h LYS 63 Ca 0.24 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1xn8 h LYS 63 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1xn8 h LYS 63 CO -0.10 0.24 0.35 -0.07 -0.57 0.00 0.00 179.45 179.29 1xn8 h LEU 64 N -0.26 0.55 -1.35 2.94 3.38 -0.57 0.94 115.31 120.93 1xn8 h LEU 64 Ca -0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1xn8 h LEU 64 Cb 0.26 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1xn8 h LEU 64 CO 0.00 0.38 0.45 0.28 0.09 0.00 0.00 178.44 179.65 1xn8 h SER 65 N 0.68 0.74 0.07 -0.43 0.02 0.14 -1.37 113.55 113.39 1xn8 h SER 65 Ca 0.25 -0.01 -0.27 0.00 -0.84 0.00 0.00 61.79 60.92 1xn8 h SER 65 Cb 0.06 -0.18 0.02 0.00 0.14 0.00 0.00 62.40 62.45 1xn8 h SER 65 CO -0.12 0.52 -1.08 -0.61 -1.14 0.00 0.00 176.83 174.39 1xn8 h GLN 66 N 0.86 0.62 0.06 3.45 4.15 0.45 -1.28 115.11 123.42 1xn8 h GLN 66 Ca 0.27 -0.75 0.03 0.00 0.77 0.00 0.00 58.65 58.96 1xn8 h GLN 66 Cb 0.00 0.23 -0.05 0.00 0.21 0.00 0.00 27.48 27.88 1xn8 h GLN 66 CO -0.07 1.33 -0.36 0.35 -1.93 0.00 0.00 178.83 178.15 1xn8 h PHE 67 N 0.24 -1.00 -0.01 3.99 3.04 0.15 0.89 116.94 124.25 1xn8 h PHE 67 Ca -0.15 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.82 1xn8 h PHE 67 Cb 1.76 0.43 -0.00 0.00 2.56 0.00 0.00 35.95 40.70 1xn8 h PHE 67 CO 0.12 -0.46 -0.01 1.88 -2.02 0.00 0.00 178.31 177.83 1xn8 h TYR 68 N -0.55 0.03 -0.32 0.41 0.05 -1.39 -1.55 116.97 113.64 1xn8 h TYR 68 Ca 0.04 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.91 1xn8 h TYR 68 Cb 0.61 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 1xn8 h TYR 68 CO -0.35 0.46 0.30 0.00 -1.05 0.00 0.00 178.16 177.53 1xn8 h ALA 69 N 0.56 2.08 -0.00 3.88 0.00 -1.07 0.61 119.26 125.32 1xn8 h ALA 69 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xn8 h ALA 69 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xn8 h ALA 69 CO 0.00 -0.47 -0.10 1.25 0.00 0.00 0.00 179.25 179.93 1xn8 h LEU 70 N 0.00 0.09 -3.25 0.00 5.85 0.11 -2.80 115.31 115.31 1xn8 h LEU 70 Ca 0.15 -0.79 -0.32 0.00 0.84 0.00 0.00 57.88 57.77 1xn8 h LEU 70 Cb 0.76 -0.03 -0.19 0.00 0.37 0.00 0.00 40.66 41.57 1xn8 h LEU 70 CO -0.00 0.87 0.41 2.30 -0.34 0.00 0.00 178.44 181.67 1xn8 n ILE 71 N -4.63 2.38 0.00 4.05 -5.35 -0.10 -3.65 119.36 112.07 1xn8 n ILE 71 Ca -0.10 -1.20 0.00 0.00 -0.27 0.00 0.00 62.75 61.18 1xn8 n ILE 71 Cb 0.44 -0.66 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 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 -0.52 2.74 -1.28 7.28 4.13 0.20 -4.68 115.26 123.13 1xn8 n ASN 72 Ca 0.37 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.70 1xn8 n ASN 72 Cb 1.24 0.00 0.27 0.00 -1.54 0.00 0.00 39.78 39.74 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 3.20 2.11 3.96 7.41 0.00 -1.06 -4.89 105.19 115.92 1xn8 n GLY 73 Ca 0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 5.57 -0.94 1.61 -1.08 -1.24 -4.76 116.67 115.07 1xn8 s ASP 74 Ca 0.38 0.18 -0.07 0.00 -0.52 0.00 0.00 52.55 52.53 1xn8 s ASP 74 Cb 0.25 -1.26 -0.09 0.00 -1.46 0.00 0.00 42.92 40.37 1xn8 s ASP 74 CO 0.17 -0.92 2.45 -0.62 0.52 0.00 0.00 175.17 176.77 1xn8 n GLU 75 N -2.23 2.40 0.00 4.34 1.02 -1.26 -4.52 120.64 120.39 1xn8 n GLU 75 Ca 0.04 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.67 1xn8 n GLU 75 Cb 0.59 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xn8 n SER 76 N 3.75 0.00 -1.63 1.62 2.88 -1.26 -4.47 113.62 114.51 1xn8 n SER 76 Ca 0.51 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.84 1xn8 n SER 76 Cb 0.25 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.63 1xn8 n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xn8 n ILE 77 N 0.00 -0.04 -1.73 2.46 3.06 -1.26 -4.32 119.36 117.53 1xn8 n ILE 77 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1xn8 n ILE 77 Cb 0.00 -2.02 0.00 0.00 0.54 0.00 0.00 39.64 38.16 1xn8 n ILE 77 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 1xn8 n ILE 78 N -2.46 -7.50 -3.15 9.51 2.08 -1.26 -2.86 119.36 113.73 1xn8 n ILE 78 Ca -0.21 2.58 0.05 0.00 0.56 0.00 0.00 62.75 65.73 1xn8 n ILE 78 Cb 0.68 -3.81 -0.02 0.00 -0.75 0.00 0.00 39.64 35.75 1xn8 n ILE 78 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1xn8 s LYS 79 N -1.89 0.22 -0.30 0.38 -2.85 -1.26 -3.68 119.74 110.36 1xn8 s LYS 79 Ca 0.00 0.38 -0.08 0.00 -1.00 0.00 0.00 55.97 55.28 1xn8 s LYS 79 Cb 0.00 0.21 0.15 0.00 -2.06 0.00 0.00 37.83 36.13 1xn8 s LYS 79 CO 0.00 -0.24 0.67 0.20 0.10 0.00 0.00 175.35 176.08 1xn8 s GLY 80 N 2.95 -0.76 0.00 0.59 0.00 -1.26 -5.15 107.32 103.69 1xn8 s GLY 80 Ca 0.01 2.26 -0.00 0.00 0.00 0.00 0.00 44.72 46.99 1xn8 s GLY 80 CO -0.12 3.20 0.00 1.58 0.00 0.00 0.00 173.10 177.76 1xn8 n TYR 81 N 5.41 -0.37 -2.67 1.90 0.18 -1.26 -5.09 117.16 115.25 1xn8 n TYR 81 Ca -0.08 -0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.33 1xn8 n TYR 81 Cb 0.50 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.41 1xn8 n TYR 81 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1xn8 s THR 82 N -2.37 4.00 0.00 -3.48 -1.32 -1.26 -4.86 115.64 106.34 1xn8 s THR 82 Ca 0.00 1.58 0.00 0.00 -1.21 0.00 0.00 61.69 62.06 1xn8 s THR 82 Cb -0.00 -3.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.15 1xn8 s THR 82 CO 0.00 0.06 0.00 0.41 -2.21 0.00 0.00 174.62 172.88 1xn8 n THR 83 N 0.22 0.00 -1.40 5.08 -1.04 -1.26 -5.00 114.28 110.88 1xn8 n THR 83 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1xn8 n THR 83 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1xn8 n THR 83 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1xn8 n GLU 84 N -0.46 3.91 -0.84 -2.82 1.02 -1.26 -4.98 120.64 115.22 1xn8 n GLU 84 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 1xn8 n GLU 84 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.51 1xn8 n GLU 84 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xn8 n LYS 85 N 0.00 1.86 0.00 3.49 5.02 -1.26 -4.25 118.16 123.02 1xn8 n LYS 85 Ca 0.00 -1.89 0.11 0.00 -2.02 0.00 0.00 58.31 54.50 1xn8 n LYS 85 Cb 0.00 -1.74 0.60 0.00 -0.02 0.00 0.00 35.03 33.87 1xn8 n LYS 85 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1xn8 n ILE 86 N -0.32 0.17 0.00 -0.18 5.41 -1.26 -4.68 119.36 118.50 1xn8 n ILE 86 Ca 0.37 0.04 0.00 0.00 1.00 0.00 0.00 62.75 64.17 1xn8 n ILE 86 Cb 1.00 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 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 0.47 0.19 4.00 7.39 0.00 -1.26 -5.07 105.19 110.91 1xn8 n GLY 87 Ca 0.13 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 1xn8 n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xn8 s ASP 88 N 0.00 5.77 -0.25 1.61 1.11 -1.26 -5.10 116.67 118.55 1xn8 s ASP 88 Ca 0.00 -0.31 0.02 0.00 0.18 0.00 0.00 52.55 52.44 1xn8 s ASP 88 Cb 0.00 -0.89 0.06 0.00 1.07 0.00 0.00 42.92 43.16 1xn8 s ASP 88 CO 0.00 -0.65 -0.07 -0.31 1.18 0.00 0.00 175.17 175.32 1xn8 s TYR 89 N -2.30 2.75 0.00 4.23 2.02 -1.26 -4.90 117.35 117.89 1xn8 s TYR 89 Ca 0.51 -2.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.22 1xn8 s TYR 89 Cb -0.10 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1xn8 s TYR 89 CO 0.33 -0.82 0.00 0.43 -1.57 0.00 0.00 175.55 173.92 1xn8 n SER 90 N 4.57 0.00 -3.79 2.29 7.64 -1.26 -5.09 113.62 117.97 1xn8 n SER 90 Ca -0.12 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.45 1xn8 n SER 90 Cb 0.43 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.55 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 3.55 -0.81 1.43 4.01 -1.26 -4.34 117.16 119.74 1xn8 n TYR 91 Ca 0.00 -4.06 -0.33 0.00 -0.16 0.00 0.00 57.90 53.35 1xn8 n TYR 91 Cb 0.00 -0.79 0.11 0.00 -0.31 0.00 0.00 39.34 38.36 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 1.59 0.00 -4.38 -0.72 -1.04 -1.13 -2.97 114.28 105.62 1xn8 n THR 92 Ca 0.24 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.05 61.81 1xn8 n THR 92 Cb 0.37 -0.57 -0.11 0.00 -1.82 0.00 0.00 70.33 68.21 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 -0.28 2.50 0.36 -4.42 1.43 0.41 -4.62 118.68 114.05 1xn8 s LEU 93 Ca 0.55 -0.94 0.17 0.00 -1.03 0.00 0.00 54.13 52.88 1xn8 s LEU 93 Cb -0.21 -0.90 1.23 0.00 0.03 0.00 0.00 46.19 46.35 1xn8 s LEU 93 CO 0.69 -0.03 1.58 1.23 0.23 0.00 0.00 176.35 180.05 1xn8 h GLY 94 N 2.85 2.08 0.00 -3.19 0.00 -1.92 -1.50 103.07 101.39 1xn8 h GLY 94 Ca -0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1xn8 h GLY 94 CO 0.55 -0.75 -0.00 -0.55 0.00 0.00 0.00 176.54 175.79 1xn8 h ASP 95 N 0.01 -0.00 0.00 0.19 3.32 -2.02 -3.48 116.42 114.43 1xn8 h ASP 95 Ca 0.80 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.85 1xn8 h ASP 95 Cb 2.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.60 1xn8 h ASP 95 CO -0.80 -0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.33 1xn8 n GLY 96 N 0.84 0.00 3.44 2.75 0.00 -0.56 -5.17 105.19 106.49 1xn8 n GLY 96 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.70 -1.07 1.61 0.01 -1.26 -4.83 113.70 111.86 1xn8 s SER 97 Ca 0.00 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 56.75 1xn8 s SER 97 Cb 0.00 -0.54 0.31 0.00 0.21 0.00 0.00 66.02 66.00 1xn8 s SER 97 CO 0.00 0.24 1.67 -1.54 0.41 0.00 0.00 173.24 174.02 1xn8 n SER 98 N 1.47 6.87 -4.54 2.44 3.41 -1.26 -0.45 113.62 121.56 1xn8 n SER 98 Ca -0.16 -3.53 -0.26 0.00 -0.26 0.00 0.00 58.87 54.65 1xn8 n SER 98 Cb 0.52 -1.23 -0.10 0.00 -0.26 0.00 0.00 64.21 63.14 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 0.74 1.06 -3.97 1.04 0.00 -1.16 -4.69 117.00 110.03 1xn8 n LEU 99 Ca 0.36 -0.74 -0.29 0.00 0.00 0.00 0.00 56.01 55.35 1xn8 n LEU 99 Cb 0.30 -1.30 -0.16 0.00 0.00 0.00 0.00 43.42 42.26 1xn8 n LEU 99 CO 0.64 -1.77 -0.46 0.00 0.00 0.00 0.00 177.39 175.79 1xn8 s GLN 100 N 8.38 1.93 0.17 1.96 -2.07 -1.26 -4.49 119.66 124.28 1xn8 s GLN 100 Ca 1.09 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 54.11 1xn8 s GLN 100 Cb -0.48 -2.02 0.00 0.00 -1.09 0.00 0.00 33.01 29.43 1xn8 s GLN 100 CO 0.30 -0.31 0.00 1.17 -1.32 0.00 0.00 175.29 175.13 1xn8 n LYS 101 N 4.81 -5.56 -1.51 9.60 3.00 -1.26 -4.99 118.16 122.25 1xn8 n LYS 101 Ca -0.15 3.95 -0.30 0.00 -0.00 0.00 0.00 58.31 61.82 1xn8 n LYS 101 Cb 0.49 -4.40 0.21 0.00 0.00 0.00 0.00 35.03 31.33 1xn8 n LYS 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1xn8 s PRO 102 N -0.63 -0.18 -1.17 1.64 0.04 -1.26 -4.95 135.00 128.49 1xn8 s PRO 102 Ca 0.00 -0.20 -0.06 0.00 0.04 0.00 0.00 61.00 60.78 1xn8 s PRO 102 Cb 0.00 -1.73 0.25 0.00 0.04 0.00 0.00 34.50 33.06 1xn8 s PRO 102 CO 0.00 -3.00 1.69 -0.25 0.04 0.00 0.00 177.00 175.48 1xn8 n ASP 103 N -4.22 5.97 -0.10 6.66 8.00 -1.26 -4.51 116.55 127.08 1xn8 n ASP 103 Ca 0.14 -3.30 0.06 0.00 0.71 0.00 0.00 54.79 52.40 1xn8 n ASP 103 Cb 0.59 -1.35 0.09 0.00 -0.02 0.00 0.00 41.12 40.43 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 2.09 1.54 -0.07 2.53 0.24 -1.26 -4.68 118.33 118.72 1xn8 n VAL 104 Ca 0.33 -1.73 -0.14 0.00 -2.04 0.00 0.00 64.34 60.77 1xn8 n VAL 104 Cb 0.34 0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.72 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 0.15 0.74 0.00 6.34 5.03 -1.99 -1.75 116.97 125.50 1xn8 h TYR 105 Ca 0.00 -0.24 -0.04 0.00 2.58 0.00 0.00 58.73 61.03 1xn8 h TYR 105 Cb 0.82 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.95 1xn8 h TYR 105 CO 0.03 0.97 -0.20 0.00 -1.32 0.00 0.00 178.16 177.64 1xn8 h ALA 106 N 0.65 1.18 0.08 1.82 0.00 -1.97 0.94 119.26 121.95 1xn8 h ALA 106 Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xn8 h ALA 106 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xn8 h ALA 106 CO 0.07 0.25 -0.04 -0.07 0.00 0.00 0.00 179.25 179.46 1xn8 h LEU 107 N 0.00 -0.10 -0.68 0.00 3.38 -1.81 -3.18 115.31 112.93 1xn8 h LEU 107 Ca -0.00 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1xn8 h LEU 107 Cb 0.54 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1xn8 h LEU 107 CO 0.03 0.47 -0.12 0.16 0.09 0.00 0.00 178.44 179.07 1xn8 h ILE 108 N -0.72 0.25 -0.44 1.22 3.07 -1.12 -3.03 117.51 116.74 1xn8 h ILE 108 Ca -0.01 -1.05 0.13 0.00 1.55 0.00 0.00 64.86 65.47 1xn8 h ILE 108 Cb 0.57 1.86 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 1xn8 h ILE 108 CO 0.02 0.12 0.64 0.50 -1.05 0.00 0.00 178.15 178.38 1xn8 h LYS 109 N 0.00 0.00 -0.45 0.16 3.64 0.94 1.46 116.57 122.32 1xn8 h LYS 109 Ca -0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1xn8 h LYS 109 Cb 0.85 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1xn8 h LYS 109 CO 0.02 0.00 -0.14 0.22 -2.27 0.00 0.00 179.45 177.28 1xn8 h ASP 110 N 0.00 0.84 -1.17 4.20 1.82 -1.65 -3.15 116.42 117.31 1xn8 h ASP 110 Ca 0.21 -0.27 -0.58 0.00 -0.39 0.00 0.00 57.03 56.00 1xn8 h ASP 110 Cb 1.49 -0.23 -0.42 0.00 0.68 0.00 0.00 39.33 40.86 1xn8 h ASP 110 CO -0.00 0.98 -0.71 -1.22 -1.61 0.00 0.00 179.24 176.68 1xn8 n TYR 111 N -4.14 3.11 -3.93 0.28 4.01 0.49 -5.04 117.16 111.93 1xn8 n TYR 111 Ca 0.01 -2.70 -0.33 0.00 -0.16 0.00 0.00 57.90 54.73 1xn8 n TYR 111 Cb 0.39 -0.24 -0.05 0.00 -0.31 0.00 0.00 39.34 39.13 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 -5.10 5.32 -0.96 -0.72 1.01 -0.50 -4.74 120.40 114.71 1xn8 s VAL 112 Ca 0.50 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1xn8 s VAL 112 Cb 0.41 -3.50 -0.22 0.00 0.00 0.00 0.00 36.38 33.07 1xn8 s VAL 112 CO -0.09 0.29 2.56 2.29 0.00 0.00 0.00 175.10 180.15 1xn8 n LYS 113 N 0.84 0.00 -1.54 2.72 0.00 -1.20 -4.84 118.16 114.14 1xn8 n LYS 113 Ca -0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.92 1xn8 n LYS 113 Cb 0.52 -1.42 0.13 0.00 -0.00 0.00 0.00 35.03 34.26 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 8.54 1.31 -0.65 -1.58 0.04 -1.26 -5.03 135.00 136.37 1xn8 s PRO 114 Ca 1.30 0.35 0.05 0.00 0.04 0.00 0.00 61.00 62.74 1xn8 s PRO 114 Cb -1.19 -1.85 0.17 0.00 0.04 0.00 0.00 34.50 31.66 1xn8 s PRO 114 CO 0.47 -2.09 0.46 0.00 0.04 0.00 0.00 177.00 175.88 1xn8 s ALA 115 N -3.26 3.38 0.04 8.56 0.00 -1.26 -5.07 121.76 124.15 1xn8 s ALA 115 Ca 0.63 -3.58 0.05 0.00 0.00 0.00 0.00 51.96 49.06 1xn8 s ALA 115 Cb -0.15 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 1xn8 s ALA 115 CO 0.53 -2.07 -0.15 0.34 0.00 0.00 0.00 175.76 174.41 1xn8 s ASP 116 N -1.16 1.78 0.20 0.00 2.15 -1.26 -5.15 116.67 113.23 1xn8 s ASP 116 Ca 0.26 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.77 1xn8 s ASP 116 Cb -0.04 -0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.46 1xn8 s ASP 116 CO -0.17 0.05 0.00 -0.81 -0.17 0.00 0.00 175.17 174.07 1xn8 n PRO 117 N 1.87 0.69 -0.82 4.34 -0.04 -1.26 -4.91 135.00 134.88 1xn8 n PRO 117 Ca -0.18 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 1xn8 n PRO 117 Cb 0.54 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.14 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 -0.61 3.55 0.00 3.54 2.03 -1.26 -4.18 116.55 119.62 1xn8 n ASP 118 Ca 0.00 -3.07 0.12 0.00 0.52 0.00 0.00 54.79 52.36 1xn8 n ASP 118 Cb 0.00 -0.73 0.56 0.00 -0.72 0.00 0.00 41.12 40.23 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 -0.56 0.00 -4.35 -2.67 -0.00 -1.26 -4.72 117.00 103.43 1xn8 n LEU 119 Ca 0.40 0.43 -0.29 0.00 -0.00 0.00 0.00 56.01 56.54 1xn8 n LEU 119 Cb 1.28 -0.43 0.27 0.00 -0.00 0.00 0.00 43.42 44.54 1xn8 n LEU 119 CO 0.40 -0.07 0.36 -0.62 -0.00 0.00 0.00 177.39 177.46 1xn8 n GLU 120 N -1.43 -3.36 -1.55 1.47 -0.58 -1.26 -4.69 120.64 109.25 1xn8 n GLU 120 Ca 0.08 -0.97 -0.14 0.00 -0.42 0.00 0.00 57.16 55.71 1xn8 n GLU 120 Cb 0.26 -2.03 -0.09 0.00 -0.57 0.00 0.00 31.44 29.01 1xn8 n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xn8 n GLY 121 N 1.46 -0.24 3.14 0.62 0.00 -1.26 -4.85 105.19 104.06 1xn8 n GLY 121 Ca 0.06 0.24 -0.17 0.00 0.00 0.00 0.00 46.02 46.16 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 14.11 0.95 0.00 -0.61 1.01 -1.26 -4.71 121.20 130.68 1xn8 s ILE 122 Ca 0.92 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1xn8 s ILE 122 Cb -0.16 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1xn8 s ILE 122 CO 0.13 -0.29 0.00 1.21 0.00 0.00 0.00 174.94 175.99 1xn8 n GLU 123 N 1.27 -0.26 -0.10 2.79 2.13 -1.26 -4.82 120.64 120.40 1xn8 n GLU 123 Ca -0.21 0.06 -0.13 0.00 0.66 0.00 0.00 57.16 57.54 1xn8 n GLU 123 Cb 0.55 -3.37 -0.05 0.00 0.27 0.00 0.00 31.44 28.84 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 0.80 -0.05 4.31 0.00 -1.26 -3.34 120.51 121.97 1xn8 n ALA 124 Ca 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 53.44 52.63 1xn8 n ALA 124 Cb 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 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 0.21 -0.67 0.00 1.63 -1.87 -1.92 116.57 112.94 1xn8 h LYS 125 Ca -0.18 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.64 1xn8 h LYS 125 Cb 1.01 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.55 1xn8 h LYS 125 CO -0.11 0.14 0.42 0.28 -3.45 0.00 0.00 179.45 176.73 1xn8 h VAL 126 N 0.22 1.08 -0.74 2.00 2.07 -1.96 1.32 116.25 120.24 1xn8 h VAL 126 Ca 0.09 -0.28 0.20 0.00 0.82 0.00 0.00 66.70 67.53 1xn8 h VAL 126 Cb 0.03 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 1xn8 h VAL 126 CO -0.07 0.15 0.52 0.03 0.02 0.00 0.00 177.57 178.22 1xn8 h ARG 127 N 0.81 0.10 0.04 1.57 3.08 -1.37 0.31 114.38 118.92 1xn8 h ARG 127 Ca 0.27 -0.01 -0.36 0.00 0.07 0.00 0.00 59.98 59.96 1xn8 h ARG 127 Cb 0.03 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1xn8 h ARG 127 CO -0.11 0.07 -2.14 -1.33 -1.07 0.00 0.00 179.97 175.38 1xn8 n MET 128 N -4.37 0.69 0.30 0.04 2.81 -0.08 -4.09 117.12 112.43 1xn8 n MET 128 Ca 0.15 0.19 0.19 0.00 -1.81 0.00 0.00 57.70 56.41 1xn8 n MET 128 Cb 0.73 -1.64 0.94 0.00 -0.71 0.00 0.00 33.22 32.54 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 0.02 0.00 -2.15 0.03 1.12 0.29 -3.17 114.38 110.52 1xn8 h ARG 129 Ca -0.46 0.00 -0.59 0.00 -1.11 0.00 0.00 59.98 57.82 1xn8 h ARG 129 Cb 2.03 0.00 -0.41 0.00 -0.01 0.00 0.00 29.97 31.59 1xn8 h ARG 129 CO 0.03 0.03 -0.79 0.45 -3.11 0.00 0.00 179.97 176.58 1xn8 n SER 130 N -3.26 2.34 0.00 -3.80 2.88 0.96 -5.03 113.62 107.71 1xn8 n SER 130 Ca -0.02 -3.14 0.00 0.00 -1.33 0.00 0.00 58.87 54.38 1xn8 n SER 130 Cb 0.18 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81