#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 3.17 -0.00 -1.26 -4.95 117.00 113.96 1xn8 n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xn8 n LEU 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xn8 n LEU 2 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 177.39 177.57 1xn8 n LEU 3 N -0.84 0.00 -4.16 -1.96 4.77 -1.26 -5.12 117.00 108.43 1xn8 n LEU 3 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1xn8 n LEU 3 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 1xn8 n LEU 3 CO 0.00 0.00 0.27 2.30 -1.33 0.00 0.00 177.39 178.63 1xn8 n ILE 4 N 0.00 0.00 -4.39 -0.08 -5.35 -1.26 -5.04 119.36 103.24 1xn8 n ILE 4 Ca 0.00 -0.03 -0.20 0.00 -0.27 0.00 0.00 62.75 62.24 1xn8 n ILE 4 Cb 0.00 -0.83 -0.10 0.00 -1.74 0.00 0.00 39.64 36.96 1xn8 n ILE 4 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1xn8 s THR 5 N -2.11 1.92 0.11 7.28 -4.23 -1.26 -5.04 115.64 112.31 1xn8 s THR 5 Ca 0.57 -2.25 0.15 0.00 -1.18 0.00 0.00 61.69 58.98 1xn8 s THR 5 Cb -0.11 -2.17 0.05 0.00 1.34 0.00 0.00 72.50 71.61 1xn8 s THR 5 CO 0.49 -0.51 1.59 1.55 -0.54 0.00 0.00 174.62 177.20 1xn8 h PRO 6 N 2.44 0.00 -0.02 3.99 0.13 -1.89 -2.76 132.00 133.90 1xn8 h PRO 6 Ca -0.39 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.57 1xn8 h PRO 6 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1xn8 h PRO 6 CO 0.62 0.53 -0.74 0.22 -0.23 0.00 0.00 178.00 178.39 1xn8 h ASP 7 N 0.00 0.20 -0.35 1.44 3.58 -1.96 -3.06 116.42 116.26 1xn8 h ASP 7 Ca -0.01 -0.14 -0.15 0.00 0.42 0.00 0.00 57.03 57.15 1xn8 h ASP 7 Cb 1.15 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 1xn8 h ASP 7 CO 0.07 0.87 -0.37 -0.33 -2.88 0.00 0.00 179.24 176.60 1xn8 h GLU 8 N 0.10 0.88 -0.20 0.28 4.39 -1.94 -0.39 114.58 117.70 1xn8 h GLU 8 Ca -0.02 -0.47 0.05 0.00 0.34 0.00 0.00 59.36 59.26 1xn8 h GLU 8 Cb 1.31 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.93 1xn8 h GLU 8 CO 0.11 1.11 -0.11 1.25 -1.16 0.00 0.00 179.01 180.21 1xn8 h LEU 9 N 0.68 -0.38 -1.12 1.33 5.85 -1.44 0.73 115.31 120.96 1xn8 h LEU 9 Ca 0.05 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1xn8 h LEU 9 Cb 0.96 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1xn8 h LEU 9 CO 0.09 -0.15 -0.30 0.07 -0.34 0.00 0.00 178.44 177.81 1xn8 h LYS 10 N -0.10 0.24 -0.05 1.25 2.10 -1.49 1.44 116.57 119.96 1xn8 h LYS 10 Ca 0.11 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1xn8 h LYS 10 Cb 0.27 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1xn8 h LYS 10 CO -0.27 0.52 -0.03 1.03 -2.00 0.00 0.00 179.45 178.70 1xn8 h SER 11 N 0.21 0.06 0.00 7.07 0.87 0.76 -3.12 113.55 119.40 1xn8 h SER 11 Ca 0.03 -0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.17 1xn8 h SER 11 Cb 0.65 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.52 1xn8 h SER 11 CO 0.05 0.11 -2.49 0.00 -0.53 0.00 0.00 176.83 173.97 1xn8 n TYR 12 N -4.46 0.03 -2.20 2.24 4.19 0.06 -4.94 117.16 112.09 1xn8 n TYR 12 Ca -0.02 0.01 -0.42 0.00 3.31 0.00 0.00 57.90 60.78 1xn8 n TYR 12 Cb 0.14 -1.00 -0.03 0.00 0.49 0.00 0.00 39.34 38.94 1xn8 n TYR 12 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1xn8 s SER 13 N -6.81 6.86 -0.51 2.98 0.15 0.49 -4.91 113.70 111.94 1xn8 s SER 13 Ca -0.36 2.33 0.02 0.00 0.70 0.00 0.00 55.95 58.64 1xn8 s SER 13 Cb 0.11 -2.59 0.53 0.00 -1.71 0.00 0.00 66.02 62.36 1xn8 s SER 13 CO 0.57 -0.61 1.85 1.33 1.20 0.00 0.00 173.24 177.58 1xn8 n VAL 14 N 3.64 3.26 -3.91 4.45 0.24 -1.26 -4.66 118.33 120.09 1xn8 n VAL 14 Ca 0.10 -2.70 -0.35 0.00 -2.04 0.00 0.00 64.34 59.35 1xn8 n VAL 14 Cb 0.43 -0.82 -0.14 0.00 -1.47 0.00 0.00 33.84 31.83 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 -3.56 2.95 0.39 6.34 0.08 -1.26 -4.98 117.98 117.94 1xn8 s PHE 15 Ca 0.58 -0.97 0.12 0.00 0.12 0.00 0.00 56.93 56.78 1xn8 s PHE 15 Cb 0.48 -2.10 0.92 0.00 -0.57 0.00 0.00 43.02 41.75 1xn8 s PHE 15 CO 0.04 -0.56 1.91 1.05 -0.10 0.00 0.00 175.22 177.56 1xn8 h GLU 16 N 8.11 0.55 -0.75 0.44 4.11 -1.99 0.18 114.58 125.23 1xn8 h GLU 16 Ca -0.42 -0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.00 1xn8 h GLU 16 Cb 1.16 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 1xn8 h GLU 16 CO 0.60 0.36 0.50 1.03 0.07 0.00 0.00 179.01 181.58 1xn8 h SER 17 N 0.57 0.83 0.24 3.06 0.87 -1.93 0.87 113.55 118.06 1xn8 h SER 17 Ca 0.38 -0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.72 1xn8 h SER 17 Cb 0.68 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1xn8 h SER 17 CO -0.14 0.59 -0.81 0.58 -0.53 0.00 0.00 176.83 176.52 1xn8 h VAL 18 N 0.98 1.38 0.27 2.23 2.07 -0.92 -2.78 116.25 119.47 1xn8 h VAL 18 Ca 0.28 -2.23 -0.01 0.00 0.82 0.00 0.00 66.70 65.56 1xn8 h VAL 18 Cb -0.05 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1xn8 h VAL 18 CO -0.07 0.67 -0.13 0.11 0.02 0.00 0.00 177.57 178.17 1xn8 h LYS 19 N 0.29 -0.35 -0.58 1.57 1.57 0.01 -3.25 116.57 115.82 1xn8 h LYS 19 Ca -0.05 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1xn8 h LYS 19 Cb 1.42 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 33.69 1xn8 h LYS 19 CO 0.14 -0.00 -0.36 1.79 -0.57 0.00 0.00 179.45 180.45 1xn8 h THR 20 N -0.80 0.15 -1.68 -0.16 1.35 0.64 -3.42 112.91 108.99 1xn8 h THR 20 Ca -0.04 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 65.19 1xn8 h THR 20 Cb 0.51 0.15 0.14 0.00 -1.73 0.00 0.00 68.15 67.22 1xn8 h THR 20 CO 0.06 0.00 -0.69 0.54 -0.25 0.00 0.00 175.52 175.18 1xn8 n ARG 21 N -5.43 0.17 -1.55 4.72 1.74 -1.05 -4.92 116.66 110.34 1xn8 n ARG 21 Ca 0.03 0.06 -0.30 0.00 -0.77 0.00 0.00 57.85 56.88 1xn8 n ARG 21 Cb 0.35 -1.14 0.10 0.00 -1.02 0.00 0.00 32.46 30.76 1xn8 n ARG 21 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xn8 s PRO 22 N -1.14 1.89 0.42 5.56 0.04 -1.26 -4.83 135.00 135.67 1xn8 s PRO 22 Ca 0.61 0.57 0.23 0.00 0.04 0.00 0.00 61.00 62.45 1xn8 s PRO 22 Cb -0.71 -1.90 0.69 0.00 0.04 0.00 0.00 34.50 32.63 1xn8 s PRO 22 CO 0.60 -1.74 1.73 -0.44 0.04 0.00 0.00 177.00 177.19 1xn8 h ASP 23 N -1.17 0.00 0.61 6.66 5.19 -1.93 0.24 116.42 126.02 1xn8 h ASP 23 Ca -0.48 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.79 1xn8 h ASP 23 Cb 1.28 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.77 1xn8 h ASP 23 CO 0.60 0.21 -0.66 1.05 -3.12 0.00 0.00 179.24 177.32 1xn8 h GLU 24 N 0.00 0.04 0.10 3.56 4.11 -2.00 -2.74 114.58 117.65 1xn8 h GLU 24 Ca -0.00 -0.03 -0.37 0.00 0.07 0.00 0.00 59.36 59.03 1xn8 h GLU 24 Cb 0.90 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1xn8 h GLU 24 CO 0.03 0.68 -2.08 1.28 0.07 0.00 0.00 179.01 178.99 1xn8 n LEU 25 N -3.77 2.69 -0.20 3.06 4.77 -1.09 -3.42 117.00 119.05 1xn8 n LEU 25 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1xn8 n LEU 25 Cb 0.65 -1.08 0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1xn8 n LEU 25 CO 0.43 0.86 0.81 -0.07 -1.33 0.00 0.00 177.39 178.10 1xn8 h LEU 26 N 0.04 -0.33 -0.30 2.23 3.38 -0.56 0.70 115.31 120.46 1xn8 h LEU 26 Ca -0.45 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1xn8 h LEU 26 Cb 2.00 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 43.02 1xn8 h LEU 26 CO 0.05 -0.13 0.10 0.07 0.09 0.00 0.00 178.44 178.62 1xn8 h LYS 27 N 0.09 0.47 -0.76 1.13 2.10 -1.66 0.17 116.57 118.11 1xn8 h LYS 27 Ca 0.30 -0.10 0.09 0.00 -2.00 0.00 0.00 60.65 58.95 1xn8 h LYS 27 Cb 0.48 -0.07 -0.07 0.00 -0.90 0.00 0.00 32.23 31.67 1xn8 h LYS 27 CO -0.53 0.51 0.40 1.96 -2.00 0.00 0.00 179.45 179.79 1xn8 h GLN 28 N 0.33 0.66 -0.21 0.07 4.20 -0.91 0.77 115.11 120.03 1xn8 h GLN 28 Ca 0.10 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 1xn8 h GLN 28 Cb 0.23 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1xn8 h GLN 28 CO -0.00 0.44 -0.45 -0.44 -0.67 0.00 0.00 178.83 177.70 1xn8 h ASP 29 N 0.68 0.55 0.08 1.46 3.32 0.63 -0.96 116.42 122.19 1xn8 h ASP 29 Ca 0.37 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1xn8 h ASP 29 Cb 0.36 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1xn8 h ASP 29 CO -0.26 0.93 -0.04 0.40 -1.72 0.00 0.00 179.24 178.55 1xn8 h ILE 30 N 0.42 1.09 -0.86 0.35 2.04 0.13 -1.22 117.51 119.46 1xn8 h ILE 30 Ca 0.03 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.31 1xn8 h ILE 30 Cb 0.96 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 1xn8 h ILE 30 CO 0.08 0.15 0.57 -0.07 0.00 0.00 0.00 178.15 178.88 1xn8 h LEU 31 N -0.39 0.91 -1.38 1.44 3.38 0.52 0.11 115.31 119.90 1xn8 h LEU 31 Ca -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1xn8 h LEU 31 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1xn8 h LEU 31 CO 0.02 0.62 0.03 -0.33 0.09 0.00 0.00 178.44 178.87 1xn8 h GLU 32 N 1.06 0.44 -0.24 1.13 4.39 -0.92 -2.38 114.58 118.06 1xn8 h GLU 32 Ca 0.35 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.94 1xn8 h GLU 32 Cb 0.05 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1xn8 h GLU 32 CO -0.11 0.44 0.01 0.00 -1.16 0.00 0.00 179.01 178.20 1xn8 h ALA 33 N 1.61 0.33 -0.75 3.43 0.00 0.25 -2.42 119.26 121.70 1xn8 h ALA 33 Ca 0.10 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 55.02 1xn8 h ALA 33 Cb 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1xn8 h ALA 33 CO 0.00 0.04 0.54 0.00 0.00 0.00 0.00 179.25 179.83 1xn8 h THR 34 N 0.20 0.63 -0.91 0.00 1.03 -0.85 0.38 112.91 113.40 1xn8 h THR 34 Ca 0.07 -0.01 0.01 0.00 -0.01 0.00 0.00 66.41 66.47 1xn8 h THR 34 Cb 0.38 0.60 -0.04 0.00 -1.07 0.00 0.00 68.15 68.02 1xn8 h THR 34 CO 0.01 0.00 0.60 0.00 -0.01 0.00 0.00 175.52 176.12 1xn8 h ALA 35 N 1.63 1.15 -0.05 0.00 0.00 -1.22 1.05 119.26 121.82 1xn8 h ALA 35 Ca 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1xn8 h ALA 35 Cb 1.40 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1xn8 h ALA 35 CO -0.01 0.56 -0.02 0.22 0.00 0.00 0.00 179.25 179.99 1xn8 h ASP 36 N 1.23 0.10 -0.64 0.00 3.58 -0.29 0.84 116.42 121.24 1xn8 h ASP 36 Ca 0.33 -0.41 0.01 0.00 0.42 0.00 0.00 57.03 57.38 1xn8 h ASP 36 Cb -0.13 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 1xn8 h ASP 36 CO -0.07 0.48 0.43 0.40 -2.88 0.00 0.00 179.24 177.60 1xn8 h ILE 37 N -0.29 1.17 -0.56 2.25 2.04 -0.97 0.44 117.51 121.59 1xn8 h ILE 37 Ca 0.01 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1xn8 h ILE 37 Cb 0.44 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1xn8 h ILE 37 CO 0.01 0.16 0.20 0.40 0.00 0.00 0.00 178.15 178.92 1xn8 h ILE 38 N 0.87 1.21 -0.02 -0.67 2.04 0.12 -0.23 117.51 120.84 1xn8 h ILE 38 Ca 0.24 -0.69 -0.13 0.00 1.00 0.00 0.00 64.86 65.28 1xn8 h ILE 38 Cb -0.10 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1xn8 h ILE 38 CO -0.05 0.27 -0.60 -0.07 0.00 0.00 0.00 178.15 177.70 1xn8 h LEU 39 N 0.81 0.08 -0.29 1.44 3.38 0.34 1.32 115.31 122.38 1xn8 h LEU 39 Ca 0.19 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1xn8 h LEU 39 Cb 0.20 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1xn8 h LEU 39 CO -0.01 0.66 -0.09 0.11 0.09 0.00 0.00 178.44 179.19 1xn8 h LYS 40 N 0.05 0.58 0.00 1.13 1.57 0.10 -2.84 116.57 117.17 1xn8 h LYS 40 Ca -0.01 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1xn8 h LYS 40 Cb 1.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1xn8 h LYS 40 CO 0.08 0.79 -0.51 1.33 -0.57 0.00 0.00 179.45 180.57 1xn8 n VAL 41 N -4.46 0.35 -3.61 0.50 0.24 -0.21 -4.72 118.33 106.42 1xn8 n VAL 41 Ca -0.03 -0.24 -0.24 0.00 -2.04 0.00 0.00 64.34 61.78 1xn8 n VAL 41 Cb 0.34 -0.17 0.08 0.00 -1.47 0.00 0.00 33.84 32.61 1xn8 n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xn8 n GLY 42 N 1.35 -0.54 3.64 7.63 0.00 0.44 -4.19 105.19 113.52 1xn8 n GLY 42 Ca 0.04 0.25 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.32 -0.37 0.38 1.61 -3.43 -0.28 -5.00 115.29 104.88 1xn8 s HIS 43 Ca 0.58 0.83 0.07 0.00 -0.80 0.00 0.00 55.06 55.75 1xn8 s HIS 43 Cb -0.26 0.36 -0.00 0.00 -1.43 0.00 0.00 32.58 31.25 1xn8 s HIS 43 CO 0.74 -0.18 0.49 0.16 -2.00 0.00 0.00 174.74 173.94 1xn8 s ASP 44 N 0.50 5.66 -0.63 7.38 1.47 -1.26 -4.65 116.67 125.13 1xn8 s ASP 44 Ca 0.01 -0.39 -0.07 0.00 1.18 0.00 0.00 52.55 53.28 1xn8 s ASP 44 Cb -0.04 -0.87 0.16 0.00 -0.34 0.00 0.00 42.92 41.82 1xn8 s ASP 44 CO -0.11 -0.60 0.48 -0.36 0.68 0.00 0.00 175.17 175.27 1xn8 s PHE 45 N -2.30 3.51 -0.19 2.11 0.40 -1.26 -4.86 117.98 115.39 1xn8 s PHE 45 Ca 0.49 -2.33 -0.15 0.00 -0.60 0.00 0.00 56.93 54.35 1xn8 s PHE 45 Cb -0.09 -3.42 -0.08 0.00 0.51 0.00 0.00 43.02 39.95 1xn8 s PHE 45 CO 0.31 -0.92 -0.32 -1.13 0.70 0.00 0.00 175.22 173.86 1xn8 n SER 46 N 4.00 1.82 -4.51 1.36 3.41 -1.26 -4.92 113.62 113.52 1xn8 n SER 46 Ca 0.05 0.31 -0.52 0.00 -0.26 0.00 0.00 58.87 58.45 1xn8 n SER 46 Cb 0.41 -0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 63.57 1xn8 n SER 46 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xn8 n ASP 47 N -4.27 2.29 0.22 4.04 8.00 -1.26 -4.74 116.55 120.82 1xn8 n ASP 47 Ca -0.27 0.59 0.15 0.00 0.71 0.00 0.00 54.79 55.97 1xn8 n ASP 47 Cb 0.62 -1.25 0.78 0.00 -0.02 0.00 0.00 41.12 41.25 1xn8 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xn8 h ALA 48 N 11.08 1.00 -0.24 2.24 0.00 -2.00 0.41 119.26 131.75 1xn8 h ALA 48 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xn8 h ALA 48 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xn8 h ALA 48 CO 1.00 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.40 1xn8 n GLU 49 N -2.51 1.56 -2.74 0.00 0.28 -1.26 -4.18 120.64 111.80 1xn8 n GLU 49 Ca -0.02 -0.86 -0.08 0.00 -0.16 0.00 0.00 57.16 56.04 1xn8 n GLU 49 Cb 0.05 -1.19 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 0.20 -3.03 -3.24 -1.84 9.36 0.14 -5.03 117.16 113.72 1xn8 n TYR 50 Ca 0.08 -1.80 -0.24 0.00 3.32 0.00 0.00 57.90 59.25 1xn8 n TYR 50 Cb 0.21 1.56 -0.07 0.00 -0.63 0.00 0.00 39.34 40.41 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 1.21 0.32 -2.52 2.97 5.41 -1.23 -4.65 119.36 120.87 1xn8 n ILE 51 Ca 0.07 -4.45 -0.37 0.00 1.00 0.00 0.00 62.75 59.00 1xn8 n ILE 51 Cb 0.66 -1.81 -0.04 0.00 -0.71 0.00 0.00 39.64 37.74 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 -1.74 4.28 -0.52 0.38 0.04 -1.26 -5.02 135.00 131.16 1xn8 s PRO 52 Ca 0.37 1.59 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1xn8 s PRO 52 Cb 0.19 -2.71 0.19 0.00 0.04 0.00 0.00 34.50 32.21 1xn8 s PRO 52 CO -0.08 -0.05 0.47 -0.11 0.04 0.00 0.00 177.00 177.27 1xn8 n LEU 53 N 0.26 1.18 -4.77 -3.56 7.94 -1.26 -5.04 117.00 111.74 1xn8 n LEU 53 Ca 0.03 -4.81 -0.30 0.00 -1.11 0.00 0.00 56.01 49.83 1xn8 n LEU 53 Cb 0.48 0.04 0.19 0.00 0.53 0.00 0.00 43.42 44.66 1xn8 n LEU 53 CO 0.47 1.90 0.74 -2.16 -1.11 0.00 0.00 177.39 177.23 1xn8 s PRO 54 N -0.93 0.10 0.51 1.96 0.04 -1.26 -4.84 135.00 130.58 1xn8 s PRO 54 Ca 0.32 -0.10 0.30 0.00 0.04 0.00 0.00 61.00 61.56 1xn8 s PRO 54 Cb 0.05 -1.75 1.13 0.00 0.04 0.00 0.00 34.50 33.97 1xn8 s PRO 54 CO -0.15 -2.83 1.90 1.49 0.04 0.00 0.00 177.00 177.45 1xn8 h GLU 55 N -1.95 0.00 0.30 4.56 4.81 -1.99 -2.13 114.58 118.18 1xn8 h GLU 55 Ca -0.46 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1xn8 h GLU 55 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1xn8 h GLU 55 CO 0.43 0.04 -0.14 1.79 -0.73 0.00 0.00 179.01 180.40 1xn8 h THR 56 N 0.00 0.43 0.41 0.32 1.35 -1.92 -1.03 112.91 112.47 1xn8 h THR 56 Ca -0.00 -0.82 -0.02 0.00 -0.55 0.00 0.00 66.41 65.02 1xn8 h THR 56 Cb 0.63 0.70 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1xn8 h THR 56 CO 0.01 0.10 -0.23 0.58 -0.25 0.00 0.00 175.52 175.73 1xn8 h VAL 57 N -0.99 0.52 -0.86 6.82 2.07 -1.78 1.16 116.25 123.19 1xn8 h VAL 57 Ca -0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 1xn8 h VAL 57 Cb 0.48 0.52 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 1xn8 h VAL 57 CO 0.07 0.00 0.43 0.03 0.02 0.00 0.00 177.57 178.12 1xn8 h ARG 58 N -0.60 0.56 -0.18 1.57 3.08 -1.50 0.77 114.38 118.08 1xn8 h ARG 58 Ca -0.05 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 1xn8 h ARG 58 Cb 0.48 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1xn8 h ARG 58 CO 0.06 0.37 -0.27 1.25 -1.07 0.00 0.00 179.97 180.32 1xn8 h LEU 59 N 0.58 0.55 -0.61 3.04 5.85 -0.64 0.18 115.31 124.26 1xn8 h LEU 59 Ca 0.49 -0.52 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1xn8 h LEU 59 Cb 0.76 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1xn8 h LEU 59 CO -0.40 0.96 0.33 0.00 -0.34 0.00 0.00 178.44 178.99 1xn8 h ALA 60 N 0.60 0.81 -0.38 1.25 0.00 0.33 0.60 119.26 122.47 1xn8 h ALA 60 Ca 0.02 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1xn8 h ALA 60 Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1xn8 h ALA 60 CO 0.06 -0.00 -0.35 1.25 0.00 0.00 0.00 179.25 180.21 1xn8 h LEU 61 N 0.62 0.94 -0.76 0.00 7.12 0.53 0.15 115.31 123.90 1xn8 h LEU 61 Ca 0.27 -0.41 -0.01 0.00 0.13 0.00 0.00 57.88 57.87 1xn8 h LEU 61 Cb 0.17 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 40.00 1xn8 h LEU 61 CO -0.18 1.19 0.44 -0.07 -0.13 0.00 0.00 178.44 179.69 1xn8 h LEU 62 N 0.73 0.92 0.13 2.25 3.38 0.53 1.09 115.31 124.35 1xn8 h LEU 62 Ca 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xn8 h LEU 62 Cb 0.93 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1xn8 h LEU 62 CO 0.09 0.73 -0.06 0.11 0.09 0.00 0.00 178.44 179.40 1xn8 h LYS 63 N 1.04 -0.16 -0.76 1.13 1.79 0.35 -0.93 116.57 119.02 1xn8 h LYS 63 Ca 0.27 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.81 1xn8 h LYS 63 Cb -0.01 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.62 1xn8 h LYS 63 CO -0.05 0.25 0.45 -0.07 -1.08 0.00 0.00 179.45 178.96 1xn8 h LEU 64 N -0.64 0.70 -0.62 2.94 3.38 -0.49 0.40 115.31 120.97 1xn8 h LEU 64 Ca -0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1xn8 h LEU 64 Cb 0.49 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1xn8 h LEU 64 CO 0.03 0.45 0.41 0.28 0.09 0.00 0.00 178.44 179.69 1xn8 h SER 65 N 0.83 0.70 0.10 -0.43 0.02 0.13 0.13 113.55 115.03 1xn8 h SER 65 Ca 0.34 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.17 1xn8 h SER 65 Cb 0.18 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1xn8 h SER 65 CO -0.18 0.50 -0.34 -0.61 -1.14 0.00 0.00 176.83 175.06 1xn8 h GLN 66 N 0.83 0.35 0.20 3.45 4.15 0.05 0.15 115.11 124.28 1xn8 h GLN 66 Ca 0.23 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1xn8 h GLN 66 Cb -0.07 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1xn8 h GLN 66 CO -0.06 0.65 -0.10 0.35 -1.93 0.00 0.00 178.83 177.75 1xn8 h PHE 67 N 0.30 -0.25 0.38 3.99 3.57 0.66 -1.04 116.94 124.55 1xn8 h PHE 67 Ca 0.04 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1xn8 h PHE 67 Cb 0.75 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1xn8 h PHE 67 CO 0.02 0.08 -0.18 1.88 -2.23 0.00 0.00 178.31 177.88 1xn8 h TYR 68 N -0.61 -0.47 -0.51 0.41 0.05 -0.74 -2.04 116.97 113.06 1xn8 h TYR 68 Ca -0.03 -0.01 0.15 0.00 0.05 0.00 0.00 58.73 58.89 1xn8 h TYR 68 Cb 0.45 0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 1xn8 h TYR 68 CO 0.03 -0.14 0.48 0.00 -1.05 0.00 0.00 178.16 177.48 1xn8 h ALA 69 N -0.40 2.28 -0.12 3.88 0.00 -0.80 0.47 119.26 124.56 1xn8 h ALA 69 Ca -0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1xn8 h ALA 69 Cb 0.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xn8 h ALA 69 CO 0.08 -0.74 -0.27 1.25 0.00 0.00 0.00 179.25 179.56 1xn8 h LEU 70 N 0.00 0.44 -2.95 0.00 5.85 -0.87 -2.79 115.31 114.99 1xn8 h LEU 70 Ca 0.24 -0.58 -0.13 0.00 0.84 0.00 0.00 57.88 58.25 1xn8 h LEU 70 Cb 1.21 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 1xn8 h LEU 70 CO -0.00 0.94 0.17 2.30 -0.34 0.00 0.00 178.44 181.51 1xn8 n ILE 71 N -4.44 2.09 -0.06 4.05 -5.35 0.13 -3.64 119.36 112.13 1xn8 n ILE 71 Ca -0.07 -1.07 -0.12 0.00 -0.27 0.00 0.00 62.75 61.22 1xn8 n ILE 71 Cb 0.46 -0.47 -0.05 0.00 -1.74 0.00 0.00 39.64 37.84 1xn8 n ILE 71 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1xn8 n ASN 72 N 0.02 1.60 0.07 7.28 2.85 0.95 -4.76 115.26 123.27 1xn8 n ASN 72 Ca 0.27 0.09 -0.10 0.00 -0.11 0.00 0.00 54.58 54.72 1xn8 n ASN 72 Cb 1.04 -0.33 -0.07 0.00 1.24 0.00 0.00 39.78 41.66 1xn8 n ASN 72 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1xn8 h GLY 73 N -0.02 -0.26 -6.04 8.20 0.00 -1.62 -3.45 103.07 99.89 1xn8 h GLY 73 Ca -0.32 0.10 -0.78 0.00 0.00 0.00 0.00 47.33 46.33 1xn8 h GLY 73 CO -0.15 -0.09 0.26 1.34 0.00 0.00 0.00 176.54 177.89 1xn8 n ASP 74 N -4.94 0.58 -0.02 0.19 -0.08 -1.24 -4.84 116.55 106.20 1xn8 n ASP 74 Ca -0.08 1.15 -0.06 0.00 -1.51 0.00 0.00 54.79 54.29 1xn8 n ASP 74 Cb 0.26 -0.98 -0.13 0.00 2.34 0.00 0.00 41.12 42.61 1xn8 n ASP 74 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1xn8 n GLU 75 N 2.20 0.64 0.06 -0.67 1.02 -1.26 -3.78 120.64 118.84 1xn8 n GLU 75 Ca 0.21 0.24 0.07 0.00 -0.02 0.00 0.00 57.16 57.67 1xn8 n GLU 75 Cb 0.09 -1.76 0.33 0.00 -0.02 0.00 0.00 31.44 30.07 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1xn8 n SER 76 N -2.96 0.27 -4.74 1.62 7.64 -1.26 -4.58 113.62 109.60 1xn8 n SER 76 Ca -0.17 0.59 -0.39 0.00 1.01 0.00 0.00 58.87 59.92 1xn8 n SER 76 Cb 1.01 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 63.51 1xn8 n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1xn8 s ILE 77 N -3.18 5.04 -0.01 0.44 1.01 -1.25 -4.57 121.20 118.68 1xn8 s ILE 77 Ca 0.03 1.16 0.01 0.00 0.00 0.00 0.00 60.65 61.84 1xn8 s ILE 77 Cb 0.07 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1xn8 s ILE 77 CO 0.22 0.37 -0.01 -0.63 0.00 0.00 0.00 174.94 174.88 1xn8 s ILE 78 N 0.22 0.16 -0.31 2.92 -1.09 -1.22 -4.95 121.20 116.93 1xn8 s ILE 78 Ca 0.30 -0.02 0.10 0.00 -2.23 0.00 0.00 60.65 58.81 1xn8 s ILE 78 Cb -0.17 -0.19 0.67 0.00 -1.58 0.00 0.00 42.46 41.19 1xn8 s ILE 78 CO 0.15 0.08 1.70 2.29 -1.23 0.00 0.00 174.94 177.93 1xn8 n LYS 79 N 3.45 3.14 -0.69 2.79 2.85 -1.26 -2.05 118.16 126.38 1xn8 n LYS 79 Ca -0.18 -3.06 0.00 0.00 -1.05 0.00 0.00 58.31 54.02 1xn8 n LYS 79 Cb 0.56 -2.09 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 1xn8 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xn8 n GLY 80 N -0.47 -1.29 1.23 2.58 0.00 -1.26 -4.86 105.19 101.11 1xn8 n GLY 80 Ca 0.38 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.95 1xn8 n GLY 80 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xn8 n TYR 81 N 0.37 -2.91 -2.66 1.61 9.36 -1.26 -4.78 117.16 116.90 1xn8 n TYR 81 Ca 0.00 1.56 -0.38 0.00 3.32 0.00 0.00 57.90 62.40 1xn8 n TYR 81 Cb 0.00 -2.65 -0.05 0.00 -0.63 0.00 0.00 39.34 36.01 1xn8 n TYR 81 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1xn8 s THR 82 N -3.79 3.93 0.00 2.97 -1.32 -1.26 -5.00 115.64 111.18 1xn8 s THR 82 Ca 0.00 1.67 0.00 0.00 -1.21 0.00 0.00 61.69 62.15 1xn8 s THR 82 Cb 0.00 -3.96 0.00 0.00 -1.51 0.00 0.00 72.50 67.03 1xn8 s THR 82 CO 0.00 0.19 0.00 1.07 -2.21 0.00 0.00 174.62 173.67 1xn8 n THR 83 N 0.62 0.00 -4.40 5.08 5.66 -1.26 -5.17 114.28 114.81 1xn8 n THR 83 Ca 0.02 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.74 1xn8 n THR 83 Cb 0.49 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.23 1xn8 n THR 83 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1xn8 n GLU 84 N 0.00 0.85 -1.65 1.09 -0.58 -1.26 -5.04 120.64 114.05 1xn8 n GLU 84 Ca 0.00 -3.24 -0.54 0.00 -0.42 0.00 0.00 57.16 52.96 1xn8 n GLU 84 Cb 0.00 0.70 -0.07 0.00 -0.57 0.00 0.00 31.44 31.50 1xn8 n GLU 84 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1xn8 n LYS 85 N -1.31 1.36 0.00 3.49 4.76 -1.26 -4.79 118.16 120.41 1xn8 n LYS 85 Ca -0.13 0.48 0.08 0.00 -2.87 0.00 0.00 58.31 55.87 1xn8 n LYS 85 Cb 0.57 -2.29 0.05 0.00 -1.84 0.00 0.00 35.03 31.52 1xn8 n LYS 85 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1xn8 n ILE 86 N 5.27 0.00 -4.02 -0.18 5.41 -1.26 -5.00 119.36 119.57 1xn8 n ILE 86 Ca 0.29 -0.46 -0.40 0.00 1.00 0.00 0.00 62.75 63.18 1xn8 n ILE 86 Cb 0.18 1.30 0.02 0.00 -0.71 0.00 0.00 39.64 40.43 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 0.99 -0.75 3.58 7.39 0.00 -1.26 -4.92 105.19 110.23 1xn8 n GLY 87 Ca 0.09 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.67 0.62 -0.42 1.61 1.11 -1.26 -5.13 116.67 109.54 1xn8 s ASP 88 Ca 0.41 -1.36 -0.18 0.00 0.18 0.00 0.00 52.55 51.60 1xn8 s ASP 88 Cb -0.23 0.71 0.02 0.00 1.07 0.00 0.00 42.92 44.49 1xn8 s ASP 88 CO 0.85 -1.39 0.47 -0.31 1.18 0.00 0.00 175.17 175.97 1xn8 s TYR 89 N -2.93 3.16 -0.30 4.23 2.02 -1.26 -4.95 117.35 117.32 1xn8 s TYR 89 Ca 0.26 -0.30 -0.18 0.00 -0.37 0.00 0.00 57.07 56.48 1xn8 s TYR 89 Cb -0.02 -2.96 0.18 0.00 -0.40 0.00 0.00 41.96 38.76 1xn8 s TYR 89 CO 0.17 -0.71 1.22 -1.54 -1.57 0.00 0.00 175.55 173.12 1xn8 s SER 90 N 1.83 -0.00 -0.29 2.29 1.04 -1.26 -5.16 113.70 112.15 1xn8 s SER 90 Ca 0.14 0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.43 1xn8 s SER 90 Cb -0.17 1.00 0.12 0.00 0.10 0.00 0.00 66.02 67.08 1xn8 s SER 90 CO 0.14 -0.00 0.75 -0.31 0.98 0.00 0.00 173.24 174.81 1xn8 s TYR 91 N 3.00 -1.07 -0.17 5.02 2.02 -1.26 -4.44 117.35 120.45 1xn8 s TYR 91 Ca 0.18 1.96 -0.13 0.00 -0.37 0.00 0.00 57.07 58.71 1xn8 s TYR 91 Cb -0.02 0.64 -0.05 0.00 -0.40 0.00 0.00 41.96 42.13 1xn8 s TYR 91 CO -0.16 -0.53 0.26 0.99 -1.57 0.00 0.00 175.55 174.53 1xn8 s THR 92 N 2.25 5.33 0.54 -0.71 2.01 -0.87 -3.16 115.64 121.03 1xn8 s THR 92 Ca -0.07 0.47 -0.08 0.00 0.31 0.00 0.00 61.69 62.32 1xn8 s THR 92 Cb -0.08 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1xn8 s THR 92 CO -0.19 0.39 0.89 -0.76 -0.69 0.00 0.00 174.62 174.27 1xn8 s LEU 93 N 0.48 3.46 0.40 4.42 1.43 -0.66 -3.45 118.68 124.76 1xn8 s LEU 93 Ca 0.15 1.14 0.23 0.00 -1.03 0.00 0.00 54.13 54.62 1xn8 s LEU 93 Cb -0.13 -4.14 1.27 0.00 0.03 0.00 0.00 46.19 43.23 1xn8 s LEU 93 CO 0.03 -0.70 1.66 1.23 0.23 0.00 0.00 176.35 178.79 1xn8 h GLY 94 N -0.01 1.56 0.15 -3.19 0.00 -1.92 -0.94 103.07 98.72 1xn8 h GLY 94 Ca -0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1xn8 h GLY 94 CO 0.62 -0.40 -0.07 -0.55 0.00 0.00 0.00 176.54 176.13 1xn8 h ASP 95 N 0.20 -0.17 0.00 0.19 3.32 -1.94 -3.49 116.42 114.53 1xn8 h ASP 95 Ca 0.76 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.81 1xn8 h ASP 95 Cb 2.10 0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.70 1xn8 h ASP 95 CO -0.47 0.23 0.00 0.61 -1.72 0.00 0.00 179.24 177.90 1xn8 n GLY 96 N 1.23 0.00 3.49 2.75 0.00 -0.36 -5.17 105.19 107.14 1xn8 n GLY 96 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 3.94 -1.39 1.61 0.01 -1.26 -4.83 113.70 111.79 1xn8 s SER 97 Ca 0.00 -0.44 -0.10 0.00 1.31 0.00 0.00 55.95 56.73 1xn8 s SER 97 Cb 0.00 -0.65 0.09 0.00 0.21 0.00 0.00 66.02 65.67 1xn8 s SER 97 CO 0.00 0.23 2.24 -1.54 0.41 0.00 0.00 173.24 174.58 1xn8 n SER 98 N 1.26 6.01 -4.70 2.44 3.41 -1.26 -1.66 113.62 119.12 1xn8 n SER 98 Ca -0.16 -2.97 -0.66 0.00 -0.26 0.00 0.00 58.87 54.82 1xn8 n SER 98 Cb 0.52 -1.51 -0.10 0.00 -0.26 0.00 0.00 64.21 62.87 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 3.88 1.29 -5.00 1.04 7.94 -1.19 -4.91 117.00 120.06 1xn8 n LEU 99 Ca 0.54 1.13 -0.19 0.00 -1.11 0.00 0.00 56.01 56.38 1xn8 n LEU 99 Cb 0.32 -0.91 0.02 0.00 0.53 0.00 0.00 43.42 43.38 1xn8 n LEU 99 CO 0.82 -0.79 0.22 0.00 -1.11 0.00 0.00 177.39 176.53 1xn8 s GLN 100 N 3.35 2.74 0.82 1.96 -2.07 -1.26 -4.65 119.66 120.56 1xn8 s GLN 100 Ca 1.06 -1.06 -0.13 0.00 -1.82 0.00 0.00 55.36 53.40 1xn8 s GLN 100 Cb -1.45 -2.66 0.07 0.00 -1.09 0.00 0.00 33.01 27.87 1xn8 s GLN 100 CO 0.79 -0.41 1.04 1.63 -1.32 0.00 0.00 175.29 177.02 1xn8 n LYS 101 N -2.02 0.10 -2.25 9.60 4.01 -1.26 -4.96 118.16 121.37 1xn8 n LYS 101 Ca 0.08 0.10 -0.33 0.00 -0.51 0.00 0.00 58.31 57.65 1xn8 n LYS 101 Cb 0.59 -2.30 -0.01 0.00 -0.51 0.00 0.00 35.03 32.80 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 -3.94 3.55 -1.01 1.97 0.04 -1.26 -4.90 135.00 129.45 1xn8 s PRO 102 Ca 0.70 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 1xn8 s PRO 102 Cb -0.29 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 1xn8 s PRO 102 CO 0.54 -0.63 2.12 -0.25 0.04 0.00 0.00 177.00 178.82 1xn8 n ASP 103 N -1.61 3.95 -0.28 6.66 8.00 -1.26 -4.18 116.55 127.83 1xn8 n ASP 103 Ca 0.09 -2.60 0.08 0.00 0.71 0.00 0.00 54.79 53.06 1xn8 n ASP 103 Cb 0.53 -1.25 -0.02 0.00 -0.02 0.00 0.00 41.12 40.36 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 5.14 0.00 -0.02 2.53 0.24 -1.26 -4.40 118.33 120.56 1xn8 n VAL 104 Ca 0.51 -0.29 0.04 0.00 -2.04 0.00 0.00 64.34 62.56 1xn8 n VAL 104 Cb 0.31 1.14 0.41 0.00 -1.47 0.00 0.00 33.84 34.24 1xn8 n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1xn8 h TYR 105 N 1.37 0.55 0.00 6.34 5.03 -1.98 0.19 116.97 128.47 1xn8 h TYR 105 Ca 0.00 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.22 1xn8 h TYR 105 Cb 0.50 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 1xn8 h TYR 105 CO 0.00 0.35 -0.49 0.00 -1.32 0.00 0.00 178.16 176.70 1xn8 h ALA 106 N 1.73 1.09 -0.28 1.82 0.00 -1.94 0.90 119.26 122.56 1xn8 h ALA 106 Ca 0.16 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1xn8 h ALA 106 Cb -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xn8 h ALA 106 CO -0.04 0.61 -0.33 -0.07 0.00 0.00 0.00 179.25 179.42 1xn8 h LEU 107 N 0.00 0.78 0.00 0.00 3.38 -1.26 -2.95 115.31 115.26 1xn8 h LEU 107 Ca -0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1xn8 h LEU 107 Cb 0.92 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1xn8 h LEU 107 CO 0.06 1.11 -0.42 0.16 0.09 0.00 0.00 178.44 179.44 1xn8 h ILE 108 N 0.47 0.00 -1.11 1.22 3.07 -1.09 -3.29 117.51 116.78 1xn8 h ILE 108 Ca 0.04 -0.80 0.31 0.00 1.55 0.00 0.00 64.86 65.96 1xn8 h ILE 108 Cb 0.91 1.56 -0.06 0.00 -0.27 0.00 0.00 36.82 38.96 1xn8 h ILE 108 CO 0.08 0.00 0.78 0.50 -1.05 0.00 0.00 178.15 178.46 1xn8 h LYS 109 N 0.00 0.09 -0.41 0.16 3.11 0.10 0.96 116.57 120.58 1xn8 h LYS 109 Ca 0.00 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 1xn8 h LYS 109 Cb 0.90 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.09 1xn8 h LYS 109 CO 0.00 0.06 0.08 -0.44 -2.81 0.00 0.00 179.45 176.34 1xn8 h ASP 110 N 0.10 0.65 -0.84 4.20 3.32 -1.67 -2.91 116.42 119.26 1xn8 h ASP 110 Ca 0.55 -0.25 -0.54 0.00 0.02 0.00 0.00 57.03 56.81 1xn8 h ASP 110 Cb 2.00 -0.17 -0.29 0.00 0.22 0.00 0.00 39.33 41.09 1xn8 h ASP 110 CO -0.08 0.73 0.33 -1.22 -1.72 0.00 0.00 179.24 177.28 1xn8 n TYR 111 N -4.52 2.74 -3.89 4.55 4.02 0.30 -4.97 117.16 115.38 1xn8 n TYR 111 Ca -0.00 -2.41 -0.37 0.00 -0.01 0.00 0.00 57.90 55.11 1xn8 n TYR 111 Cb 0.23 -0.97 -0.06 0.00 -0.02 0.00 0.00 39.34 38.51 1xn8 n TYR 111 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1xn8 s VAL 112 N -4.23 5.42 -0.96 -0.72 1.01 0.88 -4.85 120.40 116.96 1xn8 s VAL 112 Ca 0.57 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 1xn8 s VAL 112 Cb 0.47 -3.37 -0.22 0.00 0.00 0.00 0.00 36.38 33.26 1xn8 s VAL 112 CO 0.02 0.59 2.57 1.17 0.00 0.00 0.00 175.10 179.45 1xn8 n LYS 113 N 2.21 0.00 -1.22 2.72 4.81 -1.26 -4.85 118.16 120.56 1xn8 n LYS 113 Ca -0.19 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.00 1xn8 n LYS 113 Cb 0.55 -1.42 0.19 0.00 0.02 0.00 0.00 35.03 34.36 1xn8 n LYS 113 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xn8 n PRO 114 N 8.03 -1.90 -3.14 1.64 -0.04 -1.26 -5.00 135.00 133.34 1xn8 n PRO 114 Ca 0.63 -1.57 -0.34 0.00 -0.04 0.00 0.00 63.50 62.18 1xn8 n PRO 114 Cb 0.03 -1.24 -0.04 0.00 -0.04 0.00 0.00 33.50 32.22 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 -4.12 4.73 -2.42 0.55 0.00 -1.26 -5.02 120.51 112.97 1xn8 n ALA 115 Ca -0.17 -4.76 -0.28 0.00 0.00 0.00 0.00 53.44 48.23 1xn8 n ALA 115 Cb 0.48 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.30 2.80 0.18 0.00 2.15 -1.26 -5.15 116.67 113.09 1xn8 s ASP 116 Ca 0.38 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.80 1xn8 s ASP 116 Cb 0.14 -0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.52 1xn8 s ASP 116 CO -0.00 0.20 0.00 -0.81 -0.17 0.00 0.00 175.17 174.39 1xn8 n PRO 117 N 1.77 0.73 -0.82 4.34 -0.04 -1.26 -4.90 135.00 134.82 1xn8 n PRO 117 Ca -0.17 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.12 1xn8 n PRO 117 Cb 0.53 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.08 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 -0.53 4.39 0.17 3.54 -0.08 -1.26 -4.05 116.55 118.72 1xn8 n ASP 118 Ca 0.00 -3.05 0.12 0.00 -1.51 0.00 0.00 54.79 50.34 1xn8 n ASP 118 Cb 0.00 -0.80 0.11 0.00 2.34 0.00 0.00 41.12 42.77 1xn8 n ASP 118 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 1xn8 h LEU 119 N 1.39 0.00-10.13 -2.67 8.10 -2.02 -3.46 115.31 106.52 1xn8 h LEU 119 Ca 0.38 -0.00 -0.50 0.00 0.11 0.00 0.00 57.88 57.87 1xn8 h LEU 119 Cb 1.79 0.00 0.08 0.00 -0.44 0.00 0.00 40.66 42.09 1xn8 h LEU 119 CO 0.76 0.00 0.41 -0.70 -4.11 0.00 0.00 178.44 174.80 1xn8 s GLU 120 N -3.27 3.16 0.00 0.17 2.12 -1.26 -4.80 118.70 114.82 1xn8 s GLU 120 Ca 0.04 1.51 0.00 0.00 0.36 0.00 0.00 54.97 56.88 1xn8 s GLU 120 Cb 0.07 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.47 1xn8 s GLU 120 CO 0.72 -0.99 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 1xn8 n GLY 121 N -0.15 1.89 1.33 -1.50 0.00 -1.26 -4.90 105.19 100.60 1xn8 n GLY 121 Ca 0.11 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.43 1xn8 n GLY 121 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xn8 n ILE 122 N 0.00 -0.97 -0.97 -0.61 5.41 -1.26 -4.68 119.36 116.28 1xn8 n ILE 122 Ca 0.00 0.85 0.00 0.00 1.00 0.00 0.00 62.75 64.60 1xn8 n ILE 122 Cb 0.00 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 1xn8 n ILE 122 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xn8 n GLU 123 N -4.00 -1.37 -0.10 0.38 1.02 -1.26 -4.78 120.64 110.53 1xn8 n GLU 123 Ca -0.07 0.34 -0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1xn8 n GLU 123 Cb 0.56 -4.46 -0.05 0.00 -0.02 0.00 0.00 31.44 27.48 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 0.86 0.12 0.62 0.00 -1.26 -3.60 120.51 118.25 1xn8 n ALA 124 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 1xn8 n ALA 124 Cb 0.34 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.44 -0.34 0.00 1.63 -1.98 -1.67 116.57 112.77 1xn8 h LYS 125 Ca -0.17 0.03 0.07 0.00 -0.85 0.00 0.00 60.65 59.73 1xn8 h LYS 125 Cb 1.06 0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 32.72 1xn8 h LYS 125 CO -0.10 -0.29 -0.13 0.28 -3.45 0.00 0.00 179.45 175.75 1xn8 h VAL 126 N -0.45 0.56 -1.07 2.00 2.07 -1.96 0.98 116.25 118.39 1xn8 h VAL 126 Ca 0.02 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.84 1xn8 h VAL 126 Cb 0.47 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1xn8 h VAL 126 CO -0.12 0.00 0.75 0.03 0.02 0.00 0.00 177.57 178.25 1xn8 h ARG 127 N -0.07 0.12 0.16 1.57 3.08 -1.48 1.03 114.38 118.79 1xn8 h ARG 127 Ca 0.17 -0.01 -0.36 0.00 0.07 0.00 0.00 59.98 59.85 1xn8 h ARG 127 Cb 0.32 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1xn8 h ARG 127 CO -0.38 0.08 -1.88 1.98 -1.07 0.00 0.00 179.97 178.70 1xn8 h MET 128 N 0.12 0.33 0.00 0.04 4.05 0.50 -3.32 114.93 116.65 1xn8 h MET 128 Ca 0.54 -0.57 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1xn8 h MET 128 Cb 1.90 0.21 0.00 0.00 -0.80 0.00 0.00 31.60 32.91 1xn8 h MET 128 CO -0.09 1.27 0.00 -0.09 0.23 0.00 0.00 176.91 178.23 1xn8 h ARG 129 N 0.09 0.00 -1.94 0.39 1.12 0.35 -3.03 114.38 111.37 1xn8 h ARG 129 Ca -0.38 0.00 -0.61 0.00 -1.11 0.00 0.00 59.98 57.88 1xn8 h ARG 129 Cb 2.07 0.00 -0.41 0.00 -0.01 0.00 0.00 29.97 31.63 1xn8 h ARG 129 CO 0.14 0.00 -0.51 0.45 -3.11 0.00 0.00 179.97 176.93 1xn8 n SER 130 N -2.69 4.89 0.00 -3.80 2.88 0.33 -5.04 113.62 110.19 1xn8 n SER 130 Ca 0.01 -3.71 0.00 0.00 -1.33 0.00 0.00 58.87 53.84 1xn8 n SER 130 Cb 0.24 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81