#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn8 s LEU 2 N 0.00 3.21 -0.08 4.03 1.98 -1.26 -4.90 118.68 121.66 1xn8 s LEU 2 Ca 0.00 -0.92 0.04 0.00 -2.89 0.00 0.00 54.13 50.37 1xn8 s LEU 2 Cb 0.00 -1.64 -0.08 0.00 0.66 0.00 0.00 46.19 45.14 1xn8 s LEU 2 CO 0.00 -0.46 -0.01 0.18 -1.89 0.00 0.00 176.35 174.17 1xn8 n LEU 3 N -1.24 1.02 -4.36 -0.68 4.32 -1.26 -4.98 117.00 109.83 1xn8 n LEU 3 Ca -0.01 -0.02 -0.55 0.00 -0.02 0.00 0.00 56.01 55.41 1xn8 n LEU 3 Cb 0.63 0.01 -0.09 0.00 -1.62 0.00 0.00 43.42 42.34 1xn8 n LEU 3 CO 0.44 0.34 1.78 2.30 -1.22 0.00 0.00 177.39 181.02 1xn8 n ILE 4 N -2.43 0.10 -1.71 -0.08 -6.64 -1.26 -4.84 119.36 102.50 1xn8 n ILE 4 Ca -0.13 -0.14 -0.37 0.00 -1.77 0.00 0.00 62.75 60.34 1xn8 n ILE 4 Cb 0.71 -1.11 0.07 0.00 -1.44 0.00 0.00 39.64 37.86 1xn8 n ILE 4 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 1xn8 n THR 5 N 6.89 4.70 0.42 7.28 5.66 -1.26 -4.89 114.28 133.08 1xn8 n THR 5 Ca 0.48 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 61.11 1xn8 n THR 5 Cb 0.11 -1.45 0.45 0.00 -1.55 0.00 0.00 70.33 67.88 1xn8 n THR 5 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1xn8 h PRO 6 N 0.59 0.00 0.00 1.09 0.13 -1.90 -2.81 132.00 129.10 1xn8 h PRO 6 Ca -0.51 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.47 1xn8 h PRO 6 Cb 1.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1xn8 h PRO 6 CO 0.53 0.00 -0.74 -0.44 -0.23 0.00 0.00 178.00 177.12 1xn8 h ASP 7 N 0.00 0.00 0.24 1.44 3.32 -1.96 -3.10 116.42 116.36 1xn8 h ASP 7 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1xn8 h ASP 7 Cb 0.62 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1xn8 h ASP 7 CO 0.00 0.74 -0.79 -0.08 -1.72 0.00 0.00 179.24 177.38 1xn8 h GLU 8 N 0.00 0.44 -0.21 3.56 4.22 -1.87 -1.61 114.58 119.11 1xn8 h GLU 8 Ca -0.01 -0.39 0.05 0.00 0.08 0.00 0.00 59.36 59.09 1xn8 h GLU 8 Cb 1.33 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.62 1xn8 h GLU 8 CO 0.10 1.03 -0.08 1.25 -2.18 0.00 0.00 179.01 179.13 1xn8 h LEU 9 N 0.29 -0.29 -0.87 1.64 5.85 -1.50 0.14 115.31 120.56 1xn8 h LEU 9 Ca -0.05 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1xn8 h LEU 9 Cb 1.39 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1xn8 h LEU 9 CO 0.14 -0.11 -0.48 0.07 -0.34 0.00 0.00 178.44 177.72 1xn8 h LYS 10 N -0.05 0.20 0.00 1.25 2.10 -1.56 0.29 116.57 118.80 1xn8 h LYS 10 Ca 0.11 -0.11 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 1xn8 h LYS 10 Cb 0.22 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1xn8 h LYS 10 CO -0.25 0.64 -0.08 1.03 -2.00 0.00 0.00 179.45 178.79 1xn8 h SER 11 N 0.16 0.00 0.07 7.07 0.87 -0.10 -2.90 113.55 118.72 1xn8 h SER 11 Ca 0.01 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 1xn8 h SER 11 Cb 0.91 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 1xn8 h SER 11 CO 0.07 0.08 -2.18 0.00 -0.53 0.00 0.00 176.83 174.28 1xn8 n TYR 12 N -4.32 0.72 -3.24 2.24 9.36 0.33 -4.88 117.16 117.38 1xn8 n TYR 12 Ca -0.03 0.16 -0.39 0.00 3.32 0.00 0.00 57.90 60.96 1xn8 n TYR 12 Cb 0.16 -1.09 -0.06 0.00 -0.63 0.00 0.00 39.34 37.72 1xn8 n TYR 12 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1xn8 s SER 13 N -6.85 6.64 -0.33 2.98 1.04 0.98 -4.94 113.70 113.23 1xn8 s SER 13 Ca -0.28 0.77 0.02 0.00 0.48 0.00 0.00 55.95 56.93 1xn8 s SER 13 Cb 0.08 -2.30 0.39 0.00 0.10 0.00 0.00 66.02 64.29 1xn8 s SER 13 CO 0.69 -0.13 1.70 1.33 0.98 0.00 0.00 173.24 177.81 1xn8 n VAL 14 N 4.25 2.58 -3.12 5.02 0.24 -1.26 -4.52 118.33 121.53 1xn8 n VAL 14 Ca -0.05 -1.45 -0.41 0.00 -2.04 0.00 0.00 64.34 60.39 1xn8 n VAL 14 Cb 0.51 -0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 31.99 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 -2.21 3.18 0.58 6.34 0.08 -1.26 -4.91 117.98 119.78 1xn8 s PHE 15 Ca 0.38 0.45 0.38 0.00 0.12 0.00 0.00 56.93 58.26 1xn8 s PHE 15 Cb 0.31 -3.06 2.09 0.00 -0.57 0.00 0.00 43.02 41.79 1xn8 s PHE 15 CO 0.05 -0.56 2.18 1.49 -0.10 0.00 0.00 175.22 178.28 1xn8 h GLU 16 N 8.34 0.00 -0.04 0.44 4.81 -1.98 0.06 114.58 126.21 1xn8 h GLU 16 Ca -0.27 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 1xn8 h GLU 16 Cb 1.11 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.50 1xn8 h GLU 16 CO 0.82 0.00 -0.46 0.77 -0.73 0.00 0.00 179.01 179.41 1xn8 h SER 17 N 0.00 0.47 0.25 1.04 0.02 -1.93 -0.44 113.55 112.95 1xn8 h SER 17 Ca 0.00 -0.71 -0.13 0.00 -0.84 0.00 0.00 61.79 60.11 1xn8 h SER 17 Cb 0.18 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1xn8 h SER 17 CO 0.00 1.11 -0.50 0.58 -1.14 0.00 0.00 176.83 176.88 1xn8 h VAL 18 N -0.14 1.34 -0.34 2.27 2.07 -1.33 -2.16 116.25 117.97 1xn8 h VAL 18 Ca -0.05 -1.75 -0.13 0.00 0.82 0.00 0.00 66.70 65.60 1xn8 h VAL 18 Cb 1.15 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1xn8 h VAL 18 CO 0.09 0.52 -0.29 0.50 0.02 0.00 0.00 177.57 178.42 1xn8 h LYS 19 N 0.23 0.80 0.00 1.57 3.64 -1.08 -2.72 116.57 119.01 1xn8 h LYS 19 Ca 0.01 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1xn8 h LYS 19 Cb 0.97 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1xn8 h LYS 19 CO 0.08 1.03 -0.16 1.79 -2.27 0.00 0.00 179.45 179.92 1xn8 h THR 20 N 0.58 0.81 -3.66 1.00 1.35 -0.89 -3.43 112.91 108.67 1xn8 h THR 20 Ca 0.06 -0.63 -0.53 0.00 -0.55 0.00 0.00 66.41 64.77 1xn8 h THR 20 Cb 0.86 1.37 0.06 0.00 -1.73 0.00 0.00 68.15 68.72 1xn8 h THR 20 CO 0.07 0.16 0.70 -0.13 -0.25 0.00 0.00 175.52 176.08 1xn8 s ARG 21 N -4.34 4.29 0.54 4.72 0.52 -0.83 -4.99 118.95 118.88 1xn8 s ARG 21 Ca -0.03 2.28 -0.18 0.00 -0.52 0.00 0.00 55.73 57.28 1xn8 s ARG 21 Cb 0.14 -3.08 -0.06 0.00 0.52 0.00 0.00 34.95 32.47 1xn8 s ARG 21 CO 0.63 -0.32 1.04 -1.25 0.02 0.00 0.00 175.30 175.42 1xn8 s PRO 22 N -1.16 3.57 0.61 3.54 0.04 -1.26 -4.78 135.00 135.56 1xn8 s PRO 22 Ca 0.54 1.25 0.37 0.00 0.04 0.00 0.00 61.00 63.20 1xn8 s PRO 22 Cb -0.41 -2.07 1.97 0.00 0.04 0.00 0.00 34.50 34.04 1xn8 s PRO 22 CO 0.49 -0.61 2.23 -0.44 0.04 0.00 0.00 177.00 178.71 1xn8 h ASP 23 N 0.93 0.00 0.55 6.66 5.19 -1.94 0.69 116.42 128.49 1xn8 h ASP 23 Ca -0.48 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.78 1xn8 h ASP 23 Cb 1.22 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1xn8 h ASP 23 CO 0.58 0.02 -0.66 1.05 -3.12 0.00 0.00 179.24 177.12 1xn8 h GLU 24 N 0.00 0.10 0.02 3.56 4.11 -2.00 -2.78 114.58 117.59 1xn8 h GLU 24 Ca -0.00 -0.08 -0.31 0.00 0.07 0.00 0.00 59.36 59.04 1xn8 h GLU 24 Cb 0.15 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1xn8 h GLU 24 CO 0.00 0.72 -1.70 1.28 0.07 0.00 0.00 179.01 179.39 1xn8 n LEU 25 N -3.79 2.03 -0.31 3.06 4.77 -0.08 -3.52 117.00 119.15 1xn8 n LEU 25 Ca -0.02 0.35 0.17 0.00 -0.03 0.00 0.00 56.01 56.48 1xn8 n LEU 25 Cb 0.65 -0.95 0.34 0.00 -2.33 0.00 0.00 43.42 41.13 1xn8 n LEU 25 CO 0.44 0.45 0.96 -0.07 -1.33 0.00 0.00 177.39 177.83 1xn8 h LEU 26 N -0.81 0.03 0.18 2.23 3.38 0.19 1.12 115.31 121.63 1xn8 h LEU 26 Ca -0.45 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1xn8 h LEU 26 Cb 1.50 0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1xn8 h LEU 26 CO -0.21 -0.21 -0.08 0.07 0.09 0.00 0.00 178.44 178.09 1xn8 h LYS 27 N 0.17 -0.23 -0.75 1.13 2.10 -1.66 0.24 116.57 117.57 1xn8 h LYS 27 Ca 0.61 0.02 0.09 0.00 -2.00 0.00 0.00 60.65 59.37 1xn8 h LYS 27 Cb 1.32 0.05 -0.07 0.00 -0.90 0.00 0.00 32.23 32.63 1xn8 h LYS 27 CO -0.70 0.03 0.40 1.96 -2.00 0.00 0.00 179.45 179.14 1xn8 h GLN 28 N -0.47 0.66 -0.12 0.07 4.20 -0.24 0.27 115.11 119.48 1xn8 h GLN 28 Ca -0.02 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 1xn8 h GLN 28 Cb 0.37 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1xn8 h GLN 28 CO 0.04 0.44 -0.32 -0.44 -0.67 0.00 0.00 178.83 177.87 1xn8 h ASP 29 N 0.68 0.23 -0.07 1.46 5.19 0.12 -1.10 116.42 122.93 1xn8 h ASP 29 Ca 0.36 -0.08 -0.12 0.00 -0.62 0.00 0.00 57.03 56.57 1xn8 h ASP 29 Cb 0.35 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1xn8 h ASP 29 CO -0.25 0.55 -0.34 0.40 -3.12 0.00 0.00 179.24 176.48 1xn8 h ILE 30 N 0.20 1.29 -0.06 0.35 2.04 0.22 -2.43 117.51 119.11 1xn8 h ILE 30 Ca 0.03 -1.46 -0.14 0.00 1.00 0.00 0.00 64.86 64.29 1xn8 h ILE 30 Cb 0.68 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1xn8 h ILE 30 CO 0.05 0.46 -0.60 -0.07 0.00 0.00 0.00 178.15 177.99 1xn8 h LEU 31 N 0.47 0.23 -0.62 1.44 3.38 -0.05 -2.40 115.31 117.77 1xn8 h LEU 31 Ca 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1xn8 h LEU 31 Cb 0.81 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1xn8 h LEU 31 CO 0.07 0.78 0.29 -0.08 0.09 0.00 0.00 178.44 179.59 1xn8 h GLU 32 N 0.15 0.90 0.00 1.13 4.57 -0.81 -1.68 114.58 118.84 1xn8 h GLU 32 Ca -0.01 -0.14 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 1xn8 h GLU 32 Cb 1.09 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1xn8 h GLU 32 CO 0.09 0.73 -0.42 0.00 -1.18 0.00 0.00 179.01 178.23 1xn8 h ALA 33 N 1.12 1.19 -0.77 2.92 0.00 -1.33 -2.78 119.26 119.61 1xn8 h ALA 33 Ca 0.21 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1xn8 h ALA 33 Cb 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xn8 h ALA 33 CO -0.03 0.53 0.29 1.15 0.00 0.00 0.00 179.25 181.19 1xn8 h THR 34 N 0.00 1.26 -0.16 0.00 2.02 -0.80 -1.38 112.91 113.85 1xn8 h THR 34 Ca -0.00 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1xn8 h THR 34 Cb 0.80 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1xn8 h THR 34 CO 0.05 0.34 0.11 0.00 0.37 0.00 0.00 175.52 176.39 1xn8 h ALA 35 N 1.15 1.90 0.22 6.16 0.00 -1.10 0.87 119.26 128.46 1xn8 h ALA 35 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1xn8 h ALA 35 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xn8 h ALA 35 CO -0.02 0.09 -0.11 0.22 0.00 0.00 0.00 179.25 179.44 1xn8 h ASP 36 N 0.21 -0.25 -0.55 0.00 3.58 -1.31 -0.50 116.42 117.60 1xn8 h ASP 36 Ca 0.06 -0.27 0.02 0.00 0.42 0.00 0.00 57.03 57.26 1xn8 h ASP 36 Cb -0.01 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 1xn8 h ASP 36 CO -0.01 0.25 0.34 0.40 -2.88 0.00 0.00 179.24 177.34 1xn8 h ILE 37 N -0.88 1.06 -0.72 2.25 2.04 -0.83 0.82 117.51 121.26 1xn8 h ILE 37 Ca -0.03 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1xn8 h ILE 37 Cb 0.51 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1xn8 h ILE 37 CO 0.05 0.12 0.48 0.40 0.00 0.00 0.00 178.15 179.20 1xn8 h ILE 38 N 0.67 1.16 0.00 -0.67 2.04 0.70 0.15 117.51 121.56 1xn8 h ILE 38 Ca 0.22 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 1xn8 h ILE 38 Cb 0.02 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1xn8 h ILE 38 CO -0.09 0.17 -0.32 -0.07 0.00 0.00 0.00 178.15 177.83 1xn8 h LEU 39 N 0.95 0.00 -0.14 1.44 3.38 0.36 0.90 115.31 122.20 1xn8 h LEU 39 Ca 0.27 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 1xn8 h LEU 39 Cb -0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1xn8 h LEU 39 CO -0.07 0.32 -0.56 0.11 0.09 0.00 0.00 178.44 178.33 1xn8 h LYS 40 N 0.00 0.63 -0.02 1.13 1.57 0.15 -3.00 116.57 117.03 1xn8 h LYS 40 Ca -0.00 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1xn8 h LYS 40 Cb 0.77 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1xn8 h LYS 40 CO 0.04 1.11 -0.01 1.33 -0.57 0.00 0.00 179.45 181.35 1xn8 n VAL 41 N -4.14 0.00 -4.24 0.50 0.24 -0.22 -4.61 118.33 105.85 1xn8 n VAL 41 Ca -0.07 -0.29 -0.35 0.00 -2.04 0.00 0.00 64.34 61.59 1xn8 n VAL 41 Cb 0.63 0.68 -0.04 0.00 -1.47 0.00 0.00 33.84 33.64 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 1.21 -0.36 3.60 7.63 0.00 0.30 -4.10 105.19 113.47 1xn8 n GLY 42 Ca 0.18 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.53 -0.33 0.32 1.61 -3.43 -0.41 -5.01 115.29 104.51 1xn8 s HIS 43 Ca 0.54 0.64 0.01 0.00 -0.80 0.00 0.00 55.06 55.45 1xn8 s HIS 43 Cb -0.30 0.44 0.01 0.00 -1.43 0.00 0.00 32.58 31.30 1xn8 s HIS 43 CO 0.95 -0.26 0.10 -0.40 -2.00 0.00 0.00 174.74 173.12 1xn8 n ASP 44 N 1.07 2.52 -3.83 7.38 5.68 -1.26 -4.59 116.55 123.52 1xn8 n ASP 44 Ca -0.09 -2.26 -0.30 0.00 -0.50 0.00 0.00 54.79 51.64 1xn8 n ASP 44 Cb 0.58 0.12 -0.15 0.00 -1.14 0.00 0.00 41.12 40.52 1xn8 n ASP 44 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1xn8 s PHE 45 N -1.91 2.27 -0.13 2.11 0.40 -1.26 -4.93 117.98 114.53 1xn8 s PHE 45 Ca 0.08 -2.02 0.15 0.00 -0.60 0.00 0.00 56.93 54.53 1xn8 s PHE 45 Cb -0.01 -1.97 0.33 0.00 0.51 0.00 0.00 43.02 41.88 1xn8 s PHE 45 CO 0.05 -0.87 1.17 0.43 0.70 0.00 0.00 175.22 176.69 1xn8 n SER 46 N 4.69 1.69 -3.90 1.36 7.64 -1.26 -4.96 113.62 118.87 1xn8 n SER 46 Ca -0.02 -3.19 -0.30 0.00 1.01 0.00 0.00 58.87 56.37 1xn8 n SER 46 Cb 0.42 -0.43 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1xn8 n SER 46 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xn8 s ASP 47 N -2.73 3.83 0.65 6.43 1.01 -1.26 -4.96 116.67 119.62 1xn8 s ASP 47 Ca 0.31 -1.25 0.29 0.00 0.71 0.00 0.00 52.55 52.61 1xn8 s ASP 47 Cb 0.30 -1.11 1.56 0.00 1.01 0.00 0.00 42.92 44.69 1xn8 s ASP 47 CO -0.04 -0.27 1.90 0.00 0.21 0.00 0.00 175.17 176.97 1xn8 h ALA 48 N 7.98 1.56 -0.41 5.23 0.00 -2.00 0.94 119.26 132.55 1xn8 h ALA 48 Ca -0.16 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1xn8 h ALA 48 Cb 1.07 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1xn8 h ALA 48 CO 0.42 -0.43 0.17 -0.85 0.00 0.00 0.00 179.25 178.55 1xn8 n GLU 49 N -3.11 2.37 -2.66 0.00 0.00 -1.26 -4.25 120.64 111.73 1xn8 n GLU 49 Ca 0.01 -1.62 -0.03 0.00 0.00 0.00 0.00 57.16 55.51 1xn8 n GLU 49 Cb 0.46 -1.76 0.10 0.00 0.00 0.00 0.00 31.44 30.23 1xn8 n GLU 49 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1xn8 n TYR 50 N -0.02 -0.19 -3.80 -1.84 9.36 0.32 -5.08 117.16 115.92 1xn8 n TYR 50 Ca 0.23 -0.59 -0.28 0.00 3.32 0.00 0.00 57.90 60.58 1xn8 n TYR 50 Cb 0.93 1.09 -0.11 0.00 -0.63 0.00 0.00 39.34 40.62 1xn8 n TYR 50 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1xn8 n ILE 51 N 0.96 1.67 -2.49 2.97 5.41 -1.20 -4.54 119.36 122.14 1xn8 n ILE 51 Ca -0.04 -4.89 -0.41 0.00 1.00 0.00 0.00 62.75 58.42 1xn8 n ILE 51 Cb 0.74 -2.16 -0.04 0.00 -0.71 0.00 0.00 39.64 37.48 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 -1.60 4.59 -0.44 0.38 0.04 -1.26 -4.99 135.00 131.71 1xn8 s PRO 52 Ca 0.28 1.75 0.07 0.00 0.04 0.00 0.00 61.00 63.13 1xn8 s PRO 52 Cb -0.00 -3.26 0.23 0.00 0.04 0.00 0.00 34.50 31.50 1xn8 s PRO 52 CO -0.14 0.08 0.62 -0.11 0.04 0.00 0.00 177.00 177.49 1xn8 n LEU 53 N 2.19 -1.25 0.00 -3.56 7.94 -1.26 -5.07 117.00 115.99 1xn8 n LEU 53 Ca 0.02 -4.03 -0.30 0.00 -1.11 0.00 0.00 56.01 50.59 1xn8 n LEU 53 Cb 0.46 0.70 0.23 0.00 0.53 0.00 0.00 43.42 45.34 1xn8 n LEU 53 CO 0.54 2.00 0.76 -0.81 -1.11 0.00 0.00 177.39 178.77 1xn8 n PRO 54 N 1.89 -2.24 0.09 1.96 -0.04 -1.26 -4.81 135.00 130.59 1xn8 n PRO 54 Ca 0.19 -1.94 -0.04 0.00 -0.04 0.00 0.00 63.50 61.67 1xn8 n PRO 54 Cb 0.55 -1.53 0.16 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.23 0.45 0.54 4.57 -2.00 -1.67 114.58 116.69 1xn8 h GLU 55 Ca -0.43 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 57.59 1xn8 h GLU 55 Cb 1.24 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1xn8 h GLU 55 CO 0.29 0.71 -0.21 0.00 -1.18 0.00 0.00 179.01 178.62 1xn8 h THR 56 N 0.18 0.56 0.46 0.32 1.03 -1.93 0.17 112.91 113.70 1xn8 h THR 56 Ca 0.00 -0.04 -0.02 0.00 -0.01 0.00 0.00 66.41 66.34 1xn8 h THR 56 Cb 1.01 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.68 1xn8 h THR 56 CO 0.08 0.01 -0.22 0.58 -0.01 0.00 0.00 175.52 175.96 1xn8 h VAL 57 N -0.62 0.54 -0.90 0.00 2.07 -1.78 0.72 116.25 116.28 1xn8 h VAL 57 Ca -0.06 -0.14 0.23 0.00 0.82 0.00 0.00 66.70 67.54 1xn8 h VAL 57 Cb 0.47 0.61 -0.13 0.00 -1.52 0.00 0.00 31.29 30.72 1xn8 h VAL 57 CO 0.10 0.03 0.37 -0.09 0.02 0.00 0.00 177.57 178.00 1xn8 h ARG 58 N -0.70 0.35 -0.17 1.57 2.43 -1.27 1.12 114.38 117.70 1xn8 h ARG 58 Ca -0.06 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.87 1xn8 h ARG 58 Cb 0.52 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1xn8 h ARG 58 CO 0.10 0.23 -0.75 1.25 -1.51 0.00 0.00 179.97 179.29 1xn8 h LEU 59 N 0.36 0.96 -0.52 3.80 5.85 -0.29 0.22 115.31 125.68 1xn8 h LEU 59 Ca 0.57 -0.62 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1xn8 h LEU 59 Cb 1.11 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1xn8 h LEU 59 CO -0.56 1.42 0.34 0.00 -0.34 0.00 0.00 178.44 179.30 1xn8 h ALA 60 N 0.57 0.66 -0.25 1.25 0.00 0.49 0.30 119.26 122.27 1xn8 h ALA 60 Ca -0.04 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1xn8 h ALA 60 Cb 1.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xn8 h ALA 60 CO 0.16 0.09 -0.54 1.25 0.00 0.00 0.00 179.25 180.20 1xn8 h LEU 61 N 0.69 0.91 -0.87 0.00 6.46 0.10 -0.49 115.31 122.12 1xn8 h LEU 61 Ca 0.19 -0.55 0.06 0.00 -0.12 0.00 0.00 57.88 57.46 1xn8 h LEU 61 Cb -0.07 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 39.53 1xn8 h LEU 61 CO -0.05 1.30 0.54 -0.07 -0.62 0.00 0.00 178.44 179.54 1xn8 h LEU 62 N 0.57 0.85 -0.02 2.25 3.38 -0.05 1.46 115.31 123.75 1xn8 h LEU 62 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xn8 h LEU 62 Cb 1.16 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1xn8 h LEU 62 CO 0.12 0.55 -0.02 0.11 0.09 0.00 0.00 178.44 179.29 1xn8 h LYS 63 N 0.99 0.05 0.08 1.13 1.57 -0.31 0.27 116.57 120.34 1xn8 h LYS 63 Ca 0.38 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.14 1xn8 h LYS 63 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1xn8 h LYS 63 CO -0.17 0.52 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.05 1xn8 h LEU 64 N -0.43 -0.30 0.23 2.94 3.38 -0.48 1.12 115.31 121.78 1xn8 h LEU 64 Ca 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xn8 h LEU 64 Cb 0.52 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1xn8 h LEU 64 CO 0.00 -0.17 -0.16 -1.28 0.09 0.00 0.00 178.44 176.93 1xn8 h SER 65 N -0.23 -0.41 -0.16 -0.43 0.87 0.20 0.36 113.55 113.75 1xn8 h SER 65 Ca 0.01 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1xn8 h SER 65 Cb 0.24 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1xn8 h SER 65 CO -0.05 -0.26 0.10 -0.61 -0.53 0.00 0.00 176.83 175.48 1xn8 h GLN 66 N -0.39 0.21 -0.13 2.24 4.15 -0.22 0.59 115.11 121.55 1xn8 h GLN 66 Ca -0.02 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 1xn8 h GLN 66 Cb 0.34 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1xn8 h GLN 66 CO 0.01 0.14 -0.25 0.35 -1.93 0.00 0.00 178.83 177.15 1xn8 h PHE 67 N 0.22 0.50 0.17 3.99 3.04 0.22 -2.22 116.94 122.87 1xn8 h PHE 67 Ca 0.06 -0.18 -0.01 0.00 3.98 0.00 0.00 57.97 61.82 1xn8 h PHE 67 Cb -0.02 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.39 1xn8 h PHE 67 CO 0.00 0.87 -0.08 1.88 -2.02 0.00 0.00 178.31 178.96 1xn8 h TYR 68 N -0.01 -0.21 -0.48 0.41 0.05 0.35 -1.81 116.97 115.26 1xn8 h TYR 68 Ca 0.01 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.92 1xn8 h TYR 68 Cb 0.84 0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.63 1xn8 h TYR 68 CO 0.10 0.21 0.46 0.00 -1.05 0.00 0.00 178.16 177.89 1xn8 h ALA 69 N -0.22 2.25 -0.00 3.88 0.00 0.04 0.60 119.26 125.81 1xn8 h ALA 69 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xn8 h ALA 69 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xn8 h ALA 69 CO 0.04 -0.71 -0.01 1.25 0.00 0.00 0.00 179.25 179.82 1xn8 h LEU 70 N 0.00 0.01 -3.29 0.00 5.85 -1.29 -2.84 115.31 113.76 1xn8 h LEU 70 Ca 0.23 -0.77 -0.33 0.00 0.84 0.00 0.00 57.88 57.85 1xn8 h LEU 70 Cb 1.15 -0.00 -0.19 0.00 0.37 0.00 0.00 40.66 41.98 1xn8 h LEU 70 CO -0.00 0.78 0.43 2.30 -0.34 0.00 0.00 178.44 181.60 1xn8 n ILE 71 N -4.71 2.44 0.00 4.05 -5.35 0.36 -3.42 119.36 112.73 1xn8 n ILE 71 Ca -0.09 -1.27 0.00 0.00 -0.27 0.00 0.00 62.75 61.11 1xn8 n ILE 71 Cb 0.38 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 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 -0.49 1.87 -0.05 7.28 4.13 0.18 -4.83 115.26 123.36 1xn8 n ASN 72 Ca 0.38 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.50 1xn8 n ASN 72 Cb 1.18 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 39.30 1xn8 n ASN 72 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1xn8 h GLY 73 N 0.00 0.04 -6.86 7.41 0.00 -1.61 -3.44 103.07 98.60 1xn8 h GLY 73 Ca 0.00 -0.08 -0.73 0.00 0.00 0.00 0.00 47.33 46.52 1xn8 h GLY 73 CO 0.00 0.07 1.25 1.34 0.00 0.00 0.00 176.54 179.20 1xn8 n ASP 74 N -4.62 1.69 -3.83 0.19 -0.08 -1.22 -4.81 116.55 103.87 1xn8 n ASP 74 Ca -0.10 0.67 -0.42 0.00 -1.51 0.00 0.00 54.79 53.43 1xn8 n ASP 74 Cb 0.46 -1.10 0.01 0.00 2.34 0.00 0.00 41.12 42.82 1xn8 n ASP 74 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1xn8 n GLU 75 N 7.19 4.10 0.00 -0.67 2.13 -1.26 -3.96 120.64 128.17 1xn8 n GLU 75 Ca 0.42 -3.86 0.00 0.00 0.66 0.00 0.00 57.16 54.38 1xn8 n GLU 75 Cb 0.11 -2.75 0.00 0.00 0.27 0.00 0.00 31.44 29.07 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1xn8 n SER 76 N 2.65 0.00 -4.69 4.31 7.64 -1.26 -5.12 113.62 117.16 1xn8 n SER 76 Ca 0.40 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.83 1xn8 n SER 76 Cb 0.33 0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 1xn8 n SER 76 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xn8 n ILE 77 N -1.63 0.32 -0.63 0.44 5.41 -1.25 -4.94 119.36 117.08 1xn8 n ILE 77 Ca 0.00 -0.08 -0.29 0.00 1.00 0.00 0.00 62.75 63.38 1xn8 n ILE 77 Cb 0.00 -1.65 0.22 0.00 -0.71 0.00 0.00 39.64 37.50 1xn8 n ILE 77 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1xn8 s ILE 78 N 0.65 2.07 0.10 1.39 1.01 -1.23 -4.82 121.20 120.36 1xn8 s ILE 78 Ca 0.74 0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1xn8 s ILE 78 Cb -0.62 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 39.75 1xn8 s ILE 78 CO 0.41 -0.03 0.00 1.17 0.00 0.00 0.00 174.94 176.49 1xn8 n LYS 79 N -4.69 -0.85 0.00 2.79 0.00 -1.26 -3.97 118.16 110.18 1xn8 n LYS 79 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 58.31 59.00 1xn8 n LYS 79 Cb 0.54 -0.73 0.00 0.00 0.00 0.00 0.00 35.03 34.84 1xn8 n LYS 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xn8 n GLY 80 N -1.06 2.10 7.00 3.14 0.00 -1.26 -4.97 105.19 110.13 1xn8 n GLY 80 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 -0.88 -0.46 1.61 9.36 -1.26 -3.26 117.16 122.28 1xn8 n TYR 81 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 1xn8 n TYR 81 Cb 0.00 0.15 0.32 0.00 -0.63 0.00 0.00 39.34 39.18 1xn8 n TYR 81 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1xn8 n THR 82 N -0.28 2.11 -2.15 2.97 -1.04 -1.26 -4.94 114.28 109.70 1xn8 n THR 82 Ca 0.00 -1.09 -0.27 0.00 -2.04 0.00 0.00 64.05 60.65 1xn8 n THR 82 Cb 0.00 -0.30 0.06 0.00 -1.82 0.00 0.00 70.33 68.28 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 -2.34 2.71 0.20 12.58 -4.23 -1.20 -5.07 115.64 118.30 1xn8 s THR 83 Ca 0.43 -0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.75 1xn8 s THR 83 Cb 0.32 -3.17 -0.07 0.00 1.34 0.00 0.00 72.50 70.92 1xn8 s THR 83 CO 0.13 -0.19 0.58 -1.61 -0.54 0.00 0.00 174.62 172.99 1xn8 s GLU 84 N -5.26 3.94 -0.26 3.99 2.02 -1.26 -4.96 118.70 116.90 1xn8 s GLU 84 Ca 0.59 0.46 -0.42 0.00 0.02 0.00 0.00 54.97 55.62 1xn8 s GLU 84 Cb -0.11 -2.77 -0.19 0.00 0.10 0.00 0.00 34.13 31.16 1xn8 s GLU 84 CO 0.47 0.38 1.29 1.63 0.02 0.00 0.00 175.26 179.05 1xn8 n LYS 85 N 0.34 0.00 0.00 1.61 4.76 -1.26 -4.80 118.16 118.80 1xn8 n LYS 85 Ca -0.02 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.46 1xn8 n LYS 85 Cb 0.52 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 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 2.73 0.00 0.00 -0.18 5.41 -1.26 -5.00 119.36 121.06 1xn8 n ILE 86 Ca 0.25 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1xn8 n ILE 86 Cb 0.00 1.11 0.00 0.00 -0.71 0.00 0.00 39.64 40.04 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 0.80 1.56 3.23 7.39 0.00 -1.26 -4.95 105.19 111.96 1xn8 n GLY 87 Ca 0.04 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xn8 n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xn8 n ASP 88 N 3.50 -3.79 -3.92 1.61 8.00 -1.26 -4.97 116.55 115.73 1xn8 n ASP 88 Ca 0.00 0.53 -0.27 0.00 0.71 0.00 0.00 54.79 55.76 1xn8 n ASP 88 Cb 0.00 -0.90 -0.17 0.00 -0.02 0.00 0.00 41.12 40.03 1xn8 n ASP 88 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1xn8 s TYR 89 N -1.98 1.51 -0.36 1.24 -0.85 -1.26 -5.00 117.35 110.66 1xn8 s TYR 89 Ca 0.54 -0.75 0.13 0.00 -0.52 0.00 0.00 57.07 56.48 1xn8 s TYR 89 Cb -0.39 -1.24 0.42 0.00 0.38 0.00 0.00 41.96 41.13 1xn8 s TYR 89 CO 0.69 -0.50 1.22 0.43 -1.52 0.00 0.00 175.55 175.86 1xn8 n SER 90 N 4.85 -0.49 -4.72 -0.18 7.64 -1.26 -4.96 113.62 114.50 1xn8 n SER 90 Ca -0.13 -2.51 -0.39 0.00 1.01 0.00 0.00 58.87 56.85 1xn8 n SER 90 Cb 0.50 0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 64.01 1xn8 n SER 90 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xn8 s TYR 91 N -1.21 3.55 -0.21 1.43 1.51 -1.26 -4.38 117.35 116.78 1xn8 s TYR 91 Ca 0.23 1.05 -0.10 0.00 -1.01 0.00 0.00 57.07 57.24 1xn8 s TYR 91 Cb 0.42 -2.65 -0.05 0.00 -0.11 0.00 0.00 41.96 39.58 1xn8 s TYR 91 CO -0.04 0.16 0.13 0.99 -1.11 0.00 0.00 175.55 175.67 1xn8 s THR 92 N 0.61 5.34 0.40 -0.71 2.01 -1.25 -2.90 115.64 119.14 1xn8 s THR 92 Ca 0.31 0.17 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 1xn8 s THR 92 Cb -0.16 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1xn8 s THR 92 CO 0.14 0.42 0.65 -0.76 -0.69 0.00 0.00 174.62 174.38 1xn8 s LEU 93 N 0.49 3.85 0.40 4.42 1.43 0.59 -3.55 118.68 126.30 1xn8 s LEU 93 Ca 0.07 0.64 0.24 0.00 -1.03 0.00 0.00 54.13 54.05 1xn8 s LEU 93 Cb -0.12 -3.54 1.32 0.00 0.03 0.00 0.00 46.19 43.88 1xn8 s LEU 93 CO -0.01 -0.42 1.72 1.23 0.23 0.00 0.00 176.35 179.10 1xn8 h GLY 94 N 0.53 0.00 -2.33 -3.19 0.00 -1.98 0.82 103.07 96.92 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 0.61 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.49 1xn8 n ASP 95 N -2.39 3.47 -1.86 0.19 -0.08 -1.26 -4.89 116.55 109.73 1xn8 n ASP 95 Ca -0.02 -2.18 -0.17 0.00 -1.51 0.00 0.00 54.79 50.91 1xn8 n ASP 95 Cb 0.12 -0.45 -0.02 0.00 2.34 0.00 0.00 41.12 43.11 1xn8 n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xn8 n GLY 96 N 1.17 -0.11 3.87 0.27 0.00 0.28 -4.99 105.19 105.70 1xn8 n GLY 96 Ca 0.20 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.30 6.27 -1.18 1.61 0.01 -1.23 -4.83 113.70 112.05 1xn8 s SER 97 Ca 0.00 0.40 -0.06 0.00 1.31 0.00 0.00 55.95 57.60 1xn8 s SER 97 Cb 0.00 -1.99 0.23 0.00 0.21 0.00 0.00 66.02 64.47 1xn8 s SER 97 CO 0.00 0.36 1.78 -1.20 0.41 0.00 0.00 173.24 174.59 1xn8 n SER 98 N 1.69 6.17 -4.51 2.44 7.64 -1.26 -0.30 113.62 125.49 1xn8 n SER 98 Ca -0.17 -3.29 -0.34 0.00 1.01 0.00 0.00 58.87 56.08 1xn8 n SER 98 Cb 0.54 -1.35 -0.15 0.00 -1.01 0.00 0.00 64.21 62.24 1xn8 n SER 98 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1xn8 n LEU 99 N 2.24 0.26 -4.96 -3.43 7.94 -1.14 -4.86 117.00 113.04 1xn8 n LEU 99 Ca 0.38 -0.22 -0.23 0.00 -1.11 0.00 0.00 56.01 54.82 1xn8 n LEU 99 Cb 0.33 -0.97 0.07 0.00 0.53 0.00 0.00 43.42 43.37 1xn8 n LEU 99 CO 0.74 -1.16 0.50 0.00 -1.11 0.00 0.00 177.39 176.36 1xn8 s GLN 100 N 8.40 2.16 0.38 1.96 -2.07 -1.26 -4.49 119.66 124.74 1xn8 s GLN 100 Ca 1.26 -0.71 -0.23 0.00 -1.82 0.00 0.00 55.36 53.87 1xn8 s GLN 100 Cb -0.92 -2.34 -0.14 0.00 -1.09 0.00 0.00 33.01 28.52 1xn8 s GLN 100 CO 0.45 -1.11 0.36 1.17 -1.32 0.00 0.00 175.29 174.84 1xn8 n LYS 101 N -2.68 0.27 -1.98 9.60 3.00 -1.26 -4.90 118.16 120.21 1xn8 n LYS 101 Ca 0.10 0.10 -0.32 0.00 -0.00 0.00 0.00 58.31 58.19 1xn8 n LYS 101 Cb 0.60 -1.23 0.01 0.00 0.00 0.00 0.00 35.03 34.41 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 -1.26 3.31 -1.17 1.64 0.04 -1.26 -4.91 135.00 131.39 1xn8 s PRO 102 Ca 0.62 1.12 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 1xn8 s PRO 102 Cb -0.66 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 1xn8 s PRO 102 CO 0.60 -0.81 1.99 -3.47 0.04 0.00 0.00 177.00 175.34 1xn8 n ASP 103 N -2.22 3.54 -0.06 6.66 2.03 -1.26 -4.24 116.55 121.00 1xn8 n ASP 103 Ca 0.08 -2.78 0.01 0.00 0.52 0.00 0.00 54.79 52.62 1xn8 n ASP 103 Cb 0.53 -1.52 0.01 0.00 -0.72 0.00 0.00 41.12 39.41 1xn8 n ASP 103 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1xn8 n VAL 104 N 6.10 0.00 -0.21 5.18 0.24 -1.26 -4.67 118.33 123.71 1xn8 n VAL 104 Ca 0.49 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1xn8 n VAL 104 Cb 0.42 1.03 0.04 0.00 -1.47 0.00 0.00 33.84 33.86 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 0.32 0.75 0.00 6.34 3.20 -1.98 0.29 116.97 125.89 1xn8 h TYR 105 Ca 0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 1xn8 h TYR 105 Cb 0.07 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1xn8 h TYR 105 CO 0.00 0.47 -0.30 0.00 -1.64 0.00 0.00 178.16 176.69 1xn8 h ALA 106 N 1.22 1.07 0.18 1.82 0.00 -1.95 0.38 119.26 121.98 1xn8 h ALA 106 Ca 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xn8 h ALA 106 Cb -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xn8 h ALA 106 CO -0.05 0.38 -0.08 -0.07 0.00 0.00 0.00 179.25 179.42 1xn8 h LEU 107 N 0.00 -0.20 -0.85 0.00 3.38 -1.48 -3.05 115.31 113.11 1xn8 h LEU 107 Ca -0.00 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1xn8 h LEU 107 Cb 0.77 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1xn8 h LEU 107 CO 0.04 0.23 -0.12 0.16 0.09 0.00 0.00 178.44 178.83 1xn8 h ILE 108 N -0.67 0.27 -0.13 1.22 3.07 -0.91 -2.89 117.51 117.47 1xn8 h ILE 108 Ca -0.02 -1.00 0.04 0.00 1.55 0.00 0.00 64.86 65.42 1xn8 h ILE 108 Cb 0.48 1.80 -0.01 0.00 -0.27 0.00 0.00 36.82 38.83 1xn8 h ILE 108 CO 0.04 0.12 0.40 0.50 -1.05 0.00 0.00 178.15 178.16 1xn8 h LYS 109 N 0.00 0.00 0.00 0.16 3.11 -0.11 1.47 116.57 121.19 1xn8 h LYS 109 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1xn8 h LYS 109 Cb 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1xn8 h LYS 109 CO 0.02 0.00 0.00 -0.44 -2.81 0.00 0.00 179.45 176.22 1xn8 h ASP 110 N 0.00 0.00 -0.39 4.20 5.19 -1.58 -2.95 116.42 120.89 1xn8 h ASP 110 Ca 0.06 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.22 1xn8 h ASP 110 Cb 0.87 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.98 1xn8 h ASP 110 CO -0.00 0.00 -1.09 -1.22 -3.12 0.00 0.00 179.24 173.81 1xn8 n TYR 111 N -2.88 1.16 -3.54 4.55 4.02 0.50 -5.08 117.16 115.89 1xn8 n TYR 111 Ca -0.00 -1.93 -0.37 0.00 -0.01 0.00 0.00 57.90 55.59 1xn8 n TYR 111 Cb 0.21 -0.23 -0.07 0.00 -0.02 0.00 0.00 39.34 39.24 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 -3.35 5.27 -0.96 -0.72 1.01 -0.79 -4.74 120.40 116.12 1xn8 s VAL 112 Ca 0.29 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 1xn8 s VAL 112 Cb 0.33 -3.64 -0.22 0.00 0.00 0.00 0.00 36.38 32.86 1xn8 s VAL 112 CO -0.05 0.44 2.55 1.17 0.00 0.00 0.00 175.10 179.21 1xn8 n LYS 113 N 3.13 0.00 -1.34 2.72 4.81 -1.26 -4.85 118.16 121.37 1xn8 n LYS 113 Ca -0.13 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.05 1xn8 n LYS 113 Cb 0.52 -1.41 0.21 0.00 0.02 0.00 0.00 35.03 34.37 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 7.98 -2.05 -3.27 1.64 -0.04 -1.26 -5.03 135.00 132.98 1xn8 n PRO 114 Ca 0.63 -1.73 -0.25 0.00 -0.04 0.00 0.00 63.50 62.11 1xn8 n PRO 114 Cb 0.03 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.06 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 -4.23 3.52 -3.07 0.55 0.00 -1.26 -5.06 120.51 110.96 1xn8 n ALA 115 Ca -0.19 -4.26 -0.12 0.00 0.00 0.00 0.00 53.44 48.87 1xn8 n ALA 115 Cb 0.53 -0.85 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.25 -0.10 0.20 0.00 2.15 -1.26 -5.17 116.67 110.23 1xn8 s ASP 116 Ca 0.40 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.52 1xn8 s ASP 116 Cb 0.19 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 43.11 1xn8 s ASP 116 CO -0.06 -0.18 0.00 -0.81 -0.17 0.00 0.00 175.17 173.95 1xn8 n PRO 117 N 2.41 0.70 -0.90 4.34 -0.04 -1.26 -4.90 135.00 135.36 1xn8 n PRO 117 Ca -0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 1xn8 n PRO 117 Cb 0.58 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.12 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 -0.59 5.18 -0.00 3.54 -0.08 -1.26 -4.18 116.55 119.16 1xn8 n ASP 118 Ca 0.00 -3.15 0.14 0.00 -1.51 0.00 0.00 54.79 50.27 1xn8 n ASP 118 Cb 0.00 -0.88 0.58 0.00 2.34 0.00 0.00 41.12 43.16 1xn8 n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xn8 n LEU 119 N -0.28 0.07 -4.31 -2.67 -0.00 -1.26 -4.80 117.00 103.75 1xn8 n LEU 119 Ca 0.39 0.43 -0.32 0.00 -0.00 0.00 0.00 56.01 56.50 1xn8 n LEU 119 Cb 0.92 -0.46 0.17 0.00 -0.00 0.00 0.00 43.42 44.05 1xn8 n LEU 119 CO 0.44 0.02 -0.42 1.21 -0.00 0.00 0.00 177.39 178.64 1xn8 n GLU 120 N -1.49 -1.45 -1.56 1.47 2.13 -1.26 -4.63 120.64 113.85 1xn8 n GLU 120 Ca 0.07 -0.40 -0.13 0.00 0.66 0.00 0.00 57.16 57.36 1xn8 n GLU 120 Cb 0.34 -1.75 -0.09 0.00 0.27 0.00 0.00 31.44 30.21 1xn8 n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xn8 n GLY 121 N 1.90 -0.30 3.29 8.31 0.00 -1.26 -4.85 105.19 112.28 1xn8 n GLY 121 Ca 0.02 0.20 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 15.58 1.62 0.00 -0.61 1.01 -1.26 -4.67 121.20 132.87 1xn8 s ILE 122 Ca 0.88 -1.79 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1xn8 s ILE 122 Cb -0.11 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.68 1xn8 s ILE 122 CO 0.14 -0.32 0.00 1.21 0.00 0.00 0.00 174.94 175.96 1xn8 n GLU 123 N 0.48 -0.55 -0.10 2.79 2.13 -1.26 -4.81 120.64 119.32 1xn8 n GLU 123 Ca -0.15 0.14 -0.13 0.00 0.66 0.00 0.00 57.16 57.68 1xn8 n GLU 123 Cb 0.57 -3.71 -0.05 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 0.83 -0.05 4.31 0.00 -1.26 -3.42 120.51 121.92 1xn8 n ALA 124 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 53.44 52.61 1xn8 n ALA 124 Cb 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 0.15 -0.06 0.00 1.63 -1.87 -2.22 116.57 113.19 1xn8 h LYS 125 Ca -0.16 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.65 1xn8 h LYS 125 Cb 1.02 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.59 1xn8 h LYS 125 CO -0.10 0.10 -0.08 0.28 -3.45 0.00 0.00 179.45 176.20 1xn8 h VAL 126 N 0.15 0.78 -1.26 2.00 2.07 -1.96 0.74 116.25 118.76 1xn8 h VAL 126 Ca 0.10 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.99 1xn8 h VAL 126 Cb 0.09 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 1xn8 h VAL 126 CO -0.12 0.00 0.87 0.03 0.02 0.00 0.00 177.57 178.37 1xn8 h ARG 127 N -0.11 0.12 0.00 1.57 3.08 -1.45 0.66 114.38 118.24 1xn8 h ARG 127 Ca 0.05 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 1xn8 h ARG 127 Cb 0.18 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1xn8 h ARG 127 CO -0.13 0.08 -0.79 0.52 -1.07 0.00 0.00 179.97 178.57 1xn8 h MET 128 N 0.12 0.00 -0.14 0.04 2.86 -0.51 -3.32 114.93 113.98 1xn8 h MET 128 Ca 0.66 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 58.34 1xn8 h MET 128 Cb 2.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.95 1xn8 h MET 128 CO -0.15 0.66 0.37 -0.09 1.06 0.00 0.00 176.91 178.75 1xn8 h ARG 129 N -1.00 0.00 -2.17 1.72 1.12 0.16 -2.26 114.38 111.96 1xn8 h ARG 129 Ca -0.18 0.00 -0.59 0.00 -1.11 0.00 0.00 59.98 58.10 1xn8 h ARG 129 Cb 0.95 0.00 -0.41 0.00 -0.01 0.00 0.00 29.97 30.50 1xn8 h ARG 129 CO -0.11 0.00 -0.72 0.43 -3.11 0.00 0.00 179.97 176.46 1xn8 n SER 130 N -3.19 3.15 0.00 -3.80 7.64 0.22 -5.05 113.62 112.59 1xn8 n SER 130 Ca 0.01 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.55 1xn8 n SER 130 Cb 0.46 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03