#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 1.91 -1.03 4.03 1.98 -1.26 -4.79 118.68 119.51 1xn8 s LEU 2 Ca 0.00 -0.35 -0.17 0.00 -2.89 0.00 0.00 54.13 50.72 1xn8 s LEU 2 Cb 0.00 -0.96 0.14 0.00 0.66 0.00 0.00 46.19 46.03 1xn8 s LEU 2 CO 0.00 0.15 1.25 -0.76 -1.89 0.00 0.00 176.35 175.10 1xn8 s LEU 3 N 0.07 4.98 0.09 -0.68 1.02 -1.26 -4.93 118.68 117.97 1xn8 s LEU 3 Ca -0.05 -2.35 -0.15 0.00 0.02 0.00 0.00 54.13 51.60 1xn8 s LEU 3 Cb -0.12 -2.41 0.03 0.00 0.02 0.00 0.00 46.19 43.71 1xn8 s LEU 3 CO 0.02 -0.97 0.36 0.27 0.02 0.00 0.00 176.35 176.05 1xn8 s ILE 4 N 2.42 0.08 -0.01 -0.59 -4.36 -1.26 -5.11 121.20 112.37 1xn8 s ILE 4 Ca 0.37 -0.63 -0.03 0.00 -0.26 0.00 0.00 60.65 60.10 1xn8 s ILE 4 Cb -0.04 -1.09 -0.04 0.00 1.25 0.00 0.00 42.46 42.54 1xn8 s ILE 4 CO -0.06 -0.35 0.18 0.28 0.24 0.00 0.00 174.94 175.24 1xn8 s THR 5 N -3.25 5.43 -0.98 8.37 -1.32 -1.26 -4.98 115.64 117.65 1xn8 s THR 5 Ca -0.00 -0.17 0.22 0.00 -1.21 0.00 0.00 61.69 60.53 1xn8 s THR 5 Cb 0.01 -3.54 0.18 0.00 -1.51 0.00 0.00 72.50 67.64 1xn8 s THR 5 CO -0.08 0.32 1.70 -0.81 -2.21 0.00 0.00 174.62 173.54 1xn8 n PRO 6 N 0.92 0.01 0.09 7.08 -0.04 -1.26 -2.55 135.00 139.26 1xn8 n PRO 6 Ca -0.11 0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.43 1xn8 n PRO 6 Cb 0.52 -1.52 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1xn8 n PRO 6 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1xn8 h ASP 7 N 0.00 0.08 0.42 3.54 1.82 -1.99 -3.09 116.42 117.20 1xn8 h ASP 7 Ca 0.00 -0.07 -0.24 0.00 -0.39 0.00 0.00 57.03 56.33 1xn8 h ASP 7 Cb 0.38 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1xn8 h ASP 7 CO 0.00 0.90 -1.05 -0.33 -1.61 0.00 0.00 179.24 177.15 1xn8 h GLU 8 N 0.03 0.37 -0.13 0.28 4.39 -1.91 -2.41 114.58 115.20 1xn8 h GLU 8 Ca -0.02 -0.47 0.03 0.00 0.34 0.00 0.00 59.36 59.25 1xn8 h GLU 8 Cb 1.50 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 30.26 1xn8 h GLU 8 CO 0.12 1.15 -0.09 1.25 -1.16 0.00 0.00 179.01 180.28 1xn8 h LEU 9 N 0.18 -0.29 -1.24 1.33 5.85 -1.54 0.12 115.31 119.72 1xn8 h LEU 9 Ca -0.10 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1xn8 h LEU 9 Cb 1.72 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 1xn8 h LEU 9 CO 0.18 -0.12 -0.32 0.07 -0.34 0.00 0.00 178.44 177.91 1xn8 h LYS 10 N -0.10 0.10 -0.11 1.25 2.10 -1.60 0.63 116.57 118.85 1xn8 h LYS 10 Ca 0.08 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.65 1xn8 h LYS 10 Cb 0.22 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 1xn8 h LYS 10 CO -0.19 0.42 -0.14 1.03 -2.00 0.00 0.00 179.45 178.57 1xn8 h SER 11 N 0.09 0.16 0.29 7.07 0.87 -0.57 -2.70 113.55 118.76 1xn8 h SER 11 Ca 0.01 -0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.36 1xn8 h SER 11 Cb 0.62 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1xn8 h SER 11 CO 0.05 0.32 -1.87 0.00 -0.53 0.00 0.00 176.83 174.79 1xn8 n TYR 12 N -4.29 0.40 -3.44 2.24 4.19 0.24 -4.91 117.16 111.59 1xn8 n TYR 12 Ca -0.01 0.13 -0.37 0.00 3.31 0.00 0.00 57.90 60.96 1xn8 n TYR 12 Cb 0.26 -0.89 -0.06 0.00 0.49 0.00 0.00 39.34 39.14 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 -5.33 6.85 -0.25 2.98 0.15 0.21 -4.97 113.70 113.35 1xn8 s SER 13 Ca -0.06 1.03 0.12 0.00 0.70 0.00 0.00 55.95 57.74 1xn8 s SER 13 Cb 0.09 -2.27 0.53 0.00 -1.71 0.00 0.00 66.02 62.66 1xn8 s SER 13 CO 0.84 0.27 1.47 1.33 1.20 0.00 0.00 173.24 178.36 1xn8 n VAL 14 N 1.59 2.46 -3.63 4.45 0.24 -1.26 -4.68 118.33 117.49 1xn8 n VAL 14 Ca -0.12 -2.28 -0.37 0.00 -2.04 0.00 0.00 64.34 59.54 1xn8 n VAL 14 Cb 0.52 -0.30 -0.09 0.00 -1.47 0.00 0.00 33.84 32.50 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 -3.05 3.33 0.42 6.34 0.08 -1.26 -4.96 117.98 118.88 1xn8 s PHE 15 Ca 0.44 0.29 0.09 0.00 0.12 0.00 0.00 56.93 57.86 1xn8 s PHE 15 Cb 0.38 -2.30 0.91 0.00 -0.57 0.00 0.00 43.02 41.44 1xn8 s PHE 15 CO 0.05 0.07 2.05 1.49 -0.10 0.00 0.00 175.22 178.79 1xn8 h GLU 16 N 7.42 0.49 -0.72 0.44 4.81 -1.98 -0.69 114.58 124.34 1xn8 h GLU 16 Ca -0.38 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1xn8 h GLU 16 Cb 1.17 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1xn8 h GLU 16 CO 0.67 0.32 0.45 0.77 -0.73 0.00 0.00 179.01 180.49 1xn8 h SER 17 N 0.50 0.86 -0.04 1.04 0.02 -1.89 0.67 113.55 114.71 1xn8 h SER 17 Ca 0.16 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 1xn8 h SER 17 Cb 0.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1xn8 h SER 17 CO -0.04 0.66 -0.45 0.58 -1.14 0.00 0.00 176.83 176.44 1xn8 h VAL 18 N 0.98 1.31 0.27 2.27 2.07 -1.41 -0.51 116.25 121.22 1xn8 h VAL 18 Ca 0.26 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1xn8 h VAL 18 Cb -0.05 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1xn8 h VAL 18 CO -0.05 0.52 -0.13 0.11 0.02 0.00 0.00 177.57 178.04 1xn8 h LYS 19 N 0.47 -0.35 -0.28 1.57 6.56 -0.39 -3.19 116.57 120.96 1xn8 h LYS 19 Ca 0.03 0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.69 1xn8 h LYS 19 Cb 0.97 0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 32.67 1xn8 h LYS 19 CO 0.09 -0.03 0.01 1.79 -2.06 0.00 0.00 179.45 179.24 1xn8 h THR 20 N -0.68 0.81 -1.07 -0.16 1.35 0.34 -3.43 112.91 110.06 1xn8 h THR 20 Ca -0.04 -0.03 -0.71 0.00 -0.55 0.00 0.00 66.41 65.08 1xn8 h THR 20 Cb 0.47 0.70 0.09 0.00 -1.73 0.00 0.00 68.15 67.68 1xn8 h THR 20 CO 0.06 0.02 -0.26 -1.14 -0.25 0.00 0.00 175.52 173.95 1xn8 n ARG 21 N -5.15 0.08 -1.54 4.72 0.63 -0.20 -4.91 116.66 110.28 1xn8 n ARG 21 Ca -0.00 0.03 -0.29 0.00 -0.92 0.00 0.00 57.85 56.66 1xn8 n ARG 21 Cb 0.14 -1.25 0.11 0.00 0.45 0.00 0.00 32.46 31.92 1xn8 n ARG 21 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1xn8 s PRO 22 N -0.60 1.61 0.17 -0.14 0.04 -1.26 -4.83 135.00 129.99 1xn8 s PRO 22 Ca 0.75 0.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.22 1xn8 s PRO 22 Cb -1.05 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 31.66 1xn8 s PRO 22 CO 0.56 -1.91 1.44 -0.44 0.04 0.00 0.00 177.00 176.69 1xn8 h ASP 23 N -1.30 0.58 -0.48 6.66 5.19 -1.95 0.30 116.42 125.43 1xn8 h ASP 23 Ca -0.49 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 55.56 1xn8 h ASP 23 Cb 1.30 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 1xn8 h ASP 23 CO 0.61 1.10 0.31 1.05 -3.12 0.00 0.00 179.24 179.19 1xn8 h GLU 24 N 0.36 0.63 0.09 3.56 4.11 -1.99 0.41 114.58 121.75 1xn8 h GLU 24 Ca -0.02 -0.04 -0.25 0.00 0.07 0.00 0.00 59.36 59.12 1xn8 h GLU 24 Cb 1.25 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1xn8 h GLU 24 CO 0.12 0.42 -1.29 -0.07 0.07 0.00 0.00 179.01 178.27 1xn8 h LEU 25 N 0.65 0.30 -0.90 3.06 3.38 -1.91 -3.24 115.31 116.65 1xn8 h LEU 25 Ca 0.17 -0.82 0.11 0.00 0.09 0.00 0.00 57.88 57.44 1xn8 h LEU 25 Cb -0.07 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 1xn8 h LEU 25 CO -0.04 1.56 0.53 -0.07 0.09 0.00 0.00 178.44 180.52 1xn8 h LEU 26 N -0.44 0.76 0.47 1.67 3.38 -0.12 0.16 115.31 121.18 1xn8 h LEU 26 Ca -0.29 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1xn8 h LEU 26 Cb 1.65 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 1xn8 h LEU 26 CO 0.02 0.41 -0.38 0.11 0.09 0.00 0.00 178.44 178.69 1xn8 h LYS 27 N 0.85 -0.81 -0.86 1.13 1.57 -0.31 0.54 116.57 118.68 1xn8 h LYS 27 Ca 0.45 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.41 1xn8 h LYS 27 Cb 0.46 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.89 1xn8 h LYS 27 CO -0.27 -0.54 0.56 1.96 -0.57 0.00 0.00 179.45 180.59 1xn8 h GLN 28 N -0.84 0.71 -0.47 3.15 4.20 -1.36 0.64 115.11 121.14 1xn8 h GLN 28 Ca -0.05 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1xn8 h GLN 28 Cb 0.72 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1xn8 h GLN 28 CO -0.01 0.47 -0.04 0.22 -0.67 0.00 0.00 178.83 178.80 1xn8 h ASP 29 N 0.73 0.84 -0.80 1.46 3.58 0.13 0.81 116.42 123.18 1xn8 h ASP 29 Ca 0.42 -0.33 0.02 0.00 0.42 0.00 0.00 57.03 57.57 1xn8 h ASP 29 Cb 0.60 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 1xn8 h ASP 29 CO -0.18 0.97 0.53 0.40 -2.88 0.00 0.00 179.24 178.08 1xn8 h ILE 30 N 0.70 1.16 -0.25 2.25 2.04 0.22 0.17 117.51 123.80 1xn8 h ILE 30 Ca 0.13 -0.35 -0.19 0.00 1.00 0.00 0.00 64.86 65.44 1xn8 h ILE 30 Cb 0.56 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1xn8 h ILE 30 CO 0.03 0.19 -0.59 -0.07 0.00 0.00 0.00 178.15 177.71 1xn8 h LEU 31 N 1.03 0.95 -2.00 1.44 3.38 -0.75 -2.55 115.31 116.80 1xn8 h LEU 31 Ca 0.31 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1xn8 h LEU 31 Cb -0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1xn8 h LEU 31 CO -0.08 1.33 -0.05 -0.08 0.09 0.00 0.00 178.44 179.65 1xn8 h GLU 32 N 0.61 0.00 -0.03 1.13 4.57 0.23 -0.69 114.58 120.40 1xn8 h GLU 32 Ca -0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.96 1xn8 h GLU 32 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1xn8 h GLU 32 CO 0.13 0.05 -0.88 0.00 -1.18 0.00 0.00 179.01 177.13 1xn8 h ALA 33 N 1.95 0.41 0.00 2.92 0.00 -0.78 -3.01 119.26 120.74 1xn8 h ALA 33 Ca -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1xn8 h ALA 33 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xn8 h ALA 33 CO 0.01 0.79 -0.21 0.00 0.00 0.00 0.00 179.25 179.84 1xn8 h THR 34 N 0.27 0.64 -0.73 0.00 1.03 -0.75 -2.30 112.91 111.07 1xn8 h THR 34 Ca -0.07 -0.92 -0.03 0.00 -0.01 0.00 0.00 66.41 65.39 1xn8 h THR 34 Cb 1.50 1.59 -0.03 0.00 -1.07 0.00 0.00 68.15 70.14 1xn8 h THR 34 CO 0.15 0.20 0.35 0.00 -0.01 0.00 0.00 175.52 176.22 1xn8 h ALA 35 N 1.79 1.25 -0.01 0.00 0.00 -1.17 0.60 119.26 121.73 1xn8 h ALA 35 Ca -0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1xn8 h ALA 35 Cb 0.58 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xn8 h ALA 35 CO 0.03 0.58 -0.53 0.22 0.00 0.00 0.00 179.25 179.55 1xn8 h ASP 36 N 1.03 0.48 -0.78 0.00 3.58 -1.51 -1.90 116.42 117.31 1xn8 h ASP 36 Ca 0.25 -0.76 0.03 0.00 0.42 0.00 0.00 57.03 56.97 1xn8 h ASP 36 Cb 0.10 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 1xn8 h ASP 36 CO -0.03 1.17 0.50 0.40 -2.88 0.00 0.00 179.24 178.40 1xn8 h ILE 37 N -0.17 1.13 -0.71 2.25 2.04 -1.09 -0.21 117.51 120.75 1xn8 h ILE 37 Ca -0.06 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 1xn8 h ILE 37 Cb 1.24 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1xn8 h ILE 37 CO 0.10 0.18 0.17 0.40 0.00 0.00 0.00 178.15 179.01 1xn8 h ILE 38 N 0.98 1.26 0.00 -0.67 2.04 0.18 -1.03 117.51 120.28 1xn8 h ILE 38 Ca 0.31 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1xn8 h ILE 38 Cb -0.01 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1xn8 h ILE 38 CO -0.10 0.38 -0.09 -0.07 0.00 0.00 0.00 178.15 178.26 1xn8 h LEU 39 N 1.08 0.00 0.02 1.44 3.38 -0.40 1.22 115.31 122.05 1xn8 h LEU 39 Ca 0.22 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 1xn8 h LEU 39 Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1xn8 h LEU 39 CO 0.00 0.09 -0.50 0.11 0.09 0.00 0.00 178.44 178.23 1xn8 h LYS 40 N 0.00 0.30 -0.30 1.13 1.57 0.13 -3.15 116.57 116.24 1xn8 h LYS 40 Ca -0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1xn8 h LYS 40 Cb 0.24 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1xn8 h LYS 40 CO 0.01 1.07 0.00 1.33 -0.57 0.00 0.00 179.45 181.29 1xn8 n VAL 41 N -4.31 0.40 -4.16 0.50 0.24 -0.53 -4.61 118.33 105.86 1xn8 n VAL 41 Ca -0.11 -0.44 -0.34 0.00 -2.04 0.00 0.00 64.34 61.41 1xn8 n VAL 41 Cb 0.64 0.29 -0.08 0.00 -1.47 0.00 0.00 33.84 33.22 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 1.10 -0.26 3.62 7.63 0.00 0.41 -3.18 105.19 114.51 1xn8 n GLY 42 Ca 0.14 0.10 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.46 -0.35 0.20 1.61 -3.43 -0.59 -4.93 115.29 104.34 1xn8 s HIS 43 Ca 0.46 0.76 0.07 0.00 -0.80 0.00 0.00 55.06 55.55 1xn8 s HIS 43 Cb -0.27 0.42 -0.04 0.00 -1.43 0.00 0.00 32.58 31.26 1xn8 s HIS 43 CO 0.90 -0.23 0.04 0.16 -2.00 0.00 0.00 174.74 173.61 1xn8 s ASP 44 N -0.38 4.95 -1.04 7.38 1.47 -1.26 -4.54 116.67 123.25 1xn8 s ASP 44 Ca 0.02 -0.37 -0.14 0.00 1.18 0.00 0.00 52.55 53.24 1xn8 s ASP 44 Cb -0.03 -1.10 0.19 0.00 -0.34 0.00 0.00 42.92 41.64 1xn8 s ASP 44 CO -0.05 0.06 1.16 -0.36 0.68 0.00 0.00 175.17 176.66 1xn8 s PHE 45 N -1.88 3.61 -0.20 2.11 0.40 -1.26 -4.73 117.98 116.03 1xn8 s PHE 45 Ca 0.29 -2.02 -0.16 0.00 -0.60 0.00 0.00 56.93 54.44 1xn8 s PHE 45 Cb -0.09 -4.11 -0.08 0.00 0.51 0.00 0.00 43.02 39.25 1xn8 s PHE 45 CO 0.20 -1.25 -0.34 0.43 0.70 0.00 0.00 175.22 174.96 1xn8 n SER 46 N 4.97 1.89 -4.43 1.36 7.64 -1.26 -4.78 113.62 119.01 1xn8 n SER 46 Ca 0.26 0.32 -0.49 0.00 1.01 0.00 0.00 58.87 59.97 1xn8 n SER 46 Cb 0.45 -0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 62.82 1xn8 n SER 46 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xn8 n ASP 47 N -4.34 1.69 0.32 6.43 8.00 -1.26 -4.72 116.55 122.66 1xn8 n ASP 47 Ca -0.27 0.33 0.20 0.00 0.71 0.00 0.00 54.79 55.76 1xn8 n ASP 47 Cb 0.63 -1.19 1.08 0.00 -0.02 0.00 0.00 41.12 41.62 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 12.53 1.05 -0.22 2.24 0.00 -2.00 0.53 119.26 133.39 1xn8 h ALA 48 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xn8 h ALA 48 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xn8 h ALA 48 CO 1.09 -0.05 0.00 -0.85 0.00 0.00 0.00 179.25 179.44 1xn8 n GLU 49 N -2.94 1.68 -2.73 0.00 0.28 -1.26 -4.17 120.64 111.50 1xn8 n GLU 49 Ca -0.03 -0.85 -0.07 0.00 -0.16 0.00 0.00 57.16 56.05 1xn8 n GLU 49 Cb 0.12 -1.31 0.07 0.00 1.43 0.00 0.00 31.44 31.75 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 0.17 -2.61 -3.66 -1.84 9.36 0.18 -5.06 117.16 113.70 1xn8 n TYR 50 Ca 0.08 -1.59 -0.27 0.00 3.32 0.00 0.00 57.90 59.43 1xn8 n TYR 50 Cb 0.27 1.48 -0.10 0.00 -0.63 0.00 0.00 39.34 40.36 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 1.29 1.35 -2.53 2.97 5.41 -1.22 -4.64 119.36 121.99 1xn8 n ILE 51 Ca 0.06 -4.74 -0.34 0.00 1.00 0.00 0.00 62.75 58.73 1xn8 n ILE 51 Cb 0.67 -2.08 -0.03 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 -1.56 3.79 -0.42 0.38 0.04 -1.26 -5.03 135.00 130.94 1xn8 s PRO 52 Ca 0.31 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.75 1xn8 s PRO 52 Cb 0.04 -2.09 0.20 0.00 0.04 0.00 0.00 34.50 32.68 1xn8 s PRO 52 CO -0.13 -0.44 0.46 -0.11 0.04 0.00 0.00 177.00 176.83 1xn8 n LEU 53 N -1.01 -0.69 -4.77 -3.56 7.94 -1.26 -5.07 117.00 108.58 1xn8 n LEU 53 Ca 0.09 -4.28 -0.29 0.00 -1.11 0.00 0.00 56.01 50.42 1xn8 n LEU 53 Cb 0.53 0.61 0.18 0.00 0.53 0.00 0.00 43.42 45.27 1xn8 n LEU 53 CO 0.40 1.94 0.74 -2.16 -1.11 0.00 0.00 177.39 177.20 1xn8 s PRO 54 N -0.23 0.27 0.51 1.96 0.04 -1.26 -4.84 135.00 131.45 1xn8 s PRO 54 Ca 0.33 -0.04 0.32 0.00 0.04 0.00 0.00 61.00 61.65 1xn8 s PRO 54 Cb 0.09 -1.77 1.20 0.00 0.04 0.00 0.00 34.50 34.06 1xn8 s PRO 54 CO -0.16 -2.73 1.91 1.49 0.04 0.00 0.00 177.00 177.56 1xn8 h GLU 55 N -1.87 0.00 -0.04 4.56 4.57 -1.98 -2.15 114.58 117.66 1xn8 h GLU 55 Ca -0.47 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.64 1xn8 h GLU 55 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1xn8 h GLU 55 CO 0.46 0.00 -0.27 1.79 -1.18 0.00 0.00 179.01 179.81 1xn8 h THR 56 N 0.00 1.47 0.37 0.32 1.35 -1.92 -1.60 112.91 112.90 1xn8 h THR 56 Ca 0.00 -1.77 -0.02 0.00 -0.55 0.00 0.00 66.41 64.08 1xn8 h THR 56 Cb 0.56 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1xn8 h THR 56 CO 0.00 0.49 -0.18 0.58 -0.25 0.00 0.00 175.52 176.17 1xn8 h VAL 57 N -0.31 0.60 -0.79 6.82 2.07 -1.76 1.11 116.25 123.99 1xn8 h VAL 57 Ca -0.02 -0.50 0.15 0.00 0.82 0.00 0.00 66.70 67.15 1xn8 h VAL 57 Cb 0.95 0.84 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 1xn8 h VAL 57 CO 0.05 0.09 0.34 0.03 0.02 0.00 0.00 177.57 178.11 1xn8 h ARG 58 N -0.79 0.47 -0.14 1.57 3.08 -1.51 1.32 114.38 118.38 1xn8 h ARG 58 Ca -0.05 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.77 1xn8 h ARG 58 Cb 0.52 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1xn8 h ARG 58 CO 0.08 0.31 -0.74 1.25 -1.07 0.00 0.00 179.97 179.81 1xn8 h LEU 59 N 0.48 0.77 -0.51 3.04 5.85 -1.18 0.43 115.31 124.19 1xn8 h LEU 59 Ca 0.44 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1xn8 h LEU 59 Cb 0.67 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1xn8 h LEU 59 CO -0.41 1.27 0.22 0.00 -0.34 0.00 0.00 178.44 179.18 1xn8 h ALA 60 N 0.72 0.66 -0.08 1.25 0.00 0.38 0.45 119.26 122.63 1xn8 h ALA 60 Ca -0.04 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.51 1xn8 h ALA 60 Cb 1.34 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1xn8 h ALA 60 CO 0.14 0.26 -0.84 1.25 0.00 0.00 0.00 179.25 180.07 1xn8 h LEU 61 N 0.69 0.75 -1.04 0.00 7.12 0.16 0.18 115.31 123.18 1xn8 h LEU 61 Ca 0.17 -0.53 -0.03 0.00 0.13 0.00 0.00 57.88 57.62 1xn8 h LEU 61 Cb 0.17 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.05 1xn8 h LEU 61 CO -0.02 1.31 0.28 -0.07 -0.13 0.00 0.00 178.44 179.82 1xn8 h LEU 62 N 0.40 0.89 0.09 2.25 3.38 0.19 1.46 115.31 123.97 1xn8 h LEU 62 Ca -0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1xn8 h LEU 62 Cb 1.46 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1xn8 h LEU 62 CO 0.16 0.78 -0.04 0.11 0.09 0.00 0.00 178.44 179.54 1xn8 h LYS 63 N 0.96 -0.11 -0.02 1.13 1.79 -0.04 -0.98 116.57 119.30 1xn8 h LYS 63 Ca 0.23 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.71 1xn8 h LYS 63 Cb 0.16 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1xn8 h LYS 63 CO -0.02 0.43 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.68 1xn8 h LEU 64 N -0.79 -0.08 -0.98 2.94 3.38 -0.79 0.15 115.31 119.14 1xn8 h LEU 64 Ca -0.01 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1xn8 h LEU 64 Cb 0.59 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 1xn8 h LEU 64 CO 0.02 -0.04 0.62 0.77 0.09 0.00 0.00 178.44 179.91 1xn8 h SER 65 N -0.03 0.97 0.30 -0.43 4.64 0.20 0.55 113.55 119.74 1xn8 h SER 65 Ca 0.02 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 1xn8 h SER 65 Cb 0.06 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1xn8 h SER 65 CO -0.04 0.59 -0.35 -0.61 -0.87 0.00 0.00 176.83 175.55 1xn8 h GLN 66 N 1.09 0.08 0.02 4.77 4.15 -0.40 0.11 115.11 124.93 1xn8 h GLN 66 Ca 0.44 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.76 1xn8 h GLN 66 Cb 0.27 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.96 1xn8 h GLN 66 CO -0.20 0.42 -0.29 0.35 -1.93 0.00 0.00 178.83 177.18 1xn8 h PHE 67 N 0.07 0.25 0.56 3.99 3.57 0.18 -2.84 116.94 122.71 1xn8 h PHE 67 Ca 0.01 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 1xn8 h PHE 67 Cb 0.65 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.37 1xn8 h PHE 67 CO 0.00 1.01 -0.27 1.88 -2.23 0.00 0.00 178.31 178.71 1xn8 h TYR 68 N -0.59 -0.70 -0.48 0.41 0.05 0.05 -2.50 116.97 113.20 1xn8 h TYR 68 Ca -0.04 -0.02 0.14 0.00 0.05 0.00 0.00 58.73 58.86 1xn8 h TYR 68 Cb 1.11 0.23 -0.02 0.00 1.01 0.00 0.00 36.73 39.06 1xn8 h TYR 68 CO 0.21 -0.37 0.47 0.00 -1.05 0.00 0.00 178.16 177.41 1xn8 h ALA 69 N -0.70 2.24 0.30 3.88 0.00 -0.95 1.66 119.26 125.69 1xn8 h ALA 69 Ca -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xn8 h ALA 69 Cb 0.64 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1xn8 h ALA 69 CO 0.13 -0.71 -0.14 1.25 0.00 0.00 0.00 179.25 179.77 1xn8 h LEU 70 N 0.00 -0.34 -0.03 0.00 5.85 -1.20 -1.42 115.31 118.17 1xn8 h LEU 70 Ca 0.23 -0.14 -0.19 0.00 0.84 0.00 0.00 57.88 58.62 1xn8 h LEU 70 Cb 1.16 0.09 0.01 0.00 0.37 0.00 0.00 40.66 42.29 1xn8 h LEU 70 CO -0.00 -0.05 -0.72 0.16 -0.34 0.00 0.00 178.44 177.49 1xn8 h ILE 71 N -0.65 1.36 -0.31 4.05 3.07 -0.47 -2.85 117.51 121.71 1xn8 h ILE 71 Ca -0.04 -2.07 0.04 0.00 1.55 0.00 0.00 64.86 64.33 1xn8 h ILE 71 Cb 0.46 2.42 -0.06 0.00 -0.27 0.00 0.00 36.82 39.37 1xn8 h ILE 71 CO 0.07 0.62 -0.40 -1.13 -1.05 0.00 0.00 178.15 176.26 1xn8 h ASN 72 N 0.12 -1.35 -0.16 2.16 -0.73 0.23 -1.61 115.58 114.24 1xn8 h ASN 72 Ca -0.08 0.18 0.05 0.00 1.87 0.00 0.00 56.30 58.32 1xn8 h ASN 72 Cb 1.40 0.56 -0.06 0.00 0.27 0.00 0.00 38.32 40.49 1xn8 h ASN 72 CO 0.14 -0.29 -0.23 1.23 -0.37 0.00 0.00 177.43 177.92 1xn8 h GLY 73 N -0.28 -0.20 -5.79 1.57 0.00 -1.35 -3.41 103.07 93.61 1xn8 h GLY 73 Ca 0.05 0.28 -0.71 0.00 0.00 0.00 0.00 47.33 46.95 1xn8 h GLY 73 CO -0.44 -0.19 0.57 1.34 0.00 0.00 0.00 176.54 177.82 1xn8 n ASP 74 N -5.36 1.74 -0.04 0.19 2.03 -0.61 -4.82 116.55 109.68 1xn8 n ASP 74 Ca -0.02 1.11 0.12 0.00 0.52 0.00 0.00 54.79 56.52 1xn8 n ASP 74 Cb 0.28 -1.15 0.26 0.00 -0.72 0.00 0.00 41.12 39.79 1xn8 n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xn8 n GLU 75 N 3.34 0.14 -1.65 -0.67 -0.58 -1.26 -4.11 120.64 115.85 1xn8 n GLU 75 Ca 0.21 -0.08 -0.33 0.00 -0.42 0.00 0.00 57.16 56.53 1xn8 n GLU 75 Cb 0.16 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.54 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1xn8 n SER 76 N -1.36 7.11 -3.72 1.62 2.88 -1.26 -4.85 113.62 114.04 1xn8 n SER 76 Ca 0.07 -3.56 -0.12 0.00 -1.33 0.00 0.00 58.87 53.93 1xn8 n SER 76 Cb 0.34 -1.12 -0.11 0.00 -0.75 0.00 0.00 64.21 62.56 1xn8 n SER 76 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1xn8 s ILE 77 N -3.87 -0.02 1.04 2.46 1.01 -1.26 -3.24 121.20 117.31 1xn8 s ILE 77 Ca 0.55 0.09 -0.14 0.00 0.00 0.00 0.00 60.65 61.15 1xn8 s ILE 77 Cb 0.42 -0.51 0.14 0.00 0.01 0.00 0.00 42.46 42.51 1xn8 s ILE 77 CO -0.28 0.04 0.59 -0.38 0.00 0.00 0.00 174.94 174.90 1xn8 n ILE 78 N 3.93 0.00 -0.90 2.92 2.08 -1.05 -4.74 119.36 121.60 1xn8 n ILE 78 Ca -0.22 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 62.86 1xn8 n ILE 78 Cb 0.55 -0.78 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 1xn8 n ILE 78 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1xn8 n LYS 79 N -3.06 -1.91 0.00 0.38 0.00 -1.26 -4.51 118.16 107.79 1xn8 n LYS 79 Ca 0.05 1.57 0.00 0.00 0.00 0.00 0.00 58.31 59.93 1xn8 n LYS 79 Cb 0.56 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.11 1xn8 n LYS 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xn8 n GLY 80 N 0.37 1.18 3.38 3.14 0.00 -1.26 -5.03 105.19 106.97 1xn8 n GLY 80 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 1xn8 n GLY 80 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xn8 s TYR 81 N 0.00 -0.64 0.00 1.61 1.13 -1.26 -5.13 117.35 113.05 1xn8 s TYR 81 Ca 0.00 1.43 0.00 0.00 -1.41 0.00 0.00 57.07 57.09 1xn8 s TYR 81 Cb 0.00 0.28 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 1xn8 s TYR 81 CO 0.00 -0.33 0.00 -2.37 -2.51 0.00 0.00 175.55 170.34 1xn8 n THR 82 N 3.60 0.00 0.00 -3.49 5.66 -1.26 -4.66 114.28 114.14 1xn8 n THR 82 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1xn8 n THR 82 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1xn8 n THR 82 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1xn8 n THR 83 N -0.00 0.00 -1.47 1.09 5.66 -1.26 -4.93 114.28 113.37 1xn8 n THR 83 Ca 0.00 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.16 1xn8 n THR 83 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 1xn8 n THR 83 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1xn8 n GLU 84 N 0.00 -3.40 -1.67 1.09 2.13 -1.26 -4.63 120.64 112.90 1xn8 n GLU 84 Ca 0.00 2.78 -0.64 0.00 0.66 0.00 0.00 57.16 59.96 1xn8 n GLU 84 Cb 0.00 -3.93 -0.09 0.00 0.27 0.00 0.00 31.44 27.69 1xn8 n GLU 84 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1xn8 n LYS 85 N -4.25 0.18 -0.16 5.31 2.85 -1.26 -4.79 118.16 116.04 1xn8 n LYS 85 Ca -0.09 0.07 0.12 0.00 -1.05 0.00 0.00 58.31 57.35 1xn8 n LYS 85 Cb 0.67 -1.59 0.23 0.00 -0.65 0.00 0.00 35.03 33.69 1xn8 n LYS 85 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1xn8 n ILE 86 N 3.31 0.42 -2.04 0.58 5.41 -1.26 -4.18 119.36 121.58 1xn8 n ILE 86 Ca 0.27 -0.67 -0.24 0.00 1.00 0.00 0.00 62.75 63.11 1xn8 n ILE 86 Cb 0.01 0.95 0.02 0.00 -0.71 0.00 0.00 39.64 39.92 1xn8 n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xn8 n GLY 87 N 1.45 6.31 3.51 7.39 0.00 -1.26 -4.70 105.19 117.88 1xn8 n GLY 87 Ca 0.19 -2.64 -0.29 0.00 0.00 0.00 0.00 46.02 43.28 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 -3.60 1.21 -0.41 1.61 1.11 -1.26 -4.80 116.67 110.53 1xn8 s ASP 88 Ca 0.50 1.68 -0.06 0.00 0.18 0.00 0.00 52.55 54.85 1xn8 s ASP 88 Cb 0.41 -2.39 -0.20 0.00 1.07 0.00 0.00 42.92 41.81 1xn8 s ASP 88 CO 0.03 -4.08 3.19 -1.22 1.18 0.00 0.00 175.17 174.27 1xn8 n TYR 89 N -4.85 0.61 -3.45 4.23 4.01 -1.26 -4.61 117.16 111.84 1xn8 n TYR 89 Ca 0.05 -1.78 -0.22 0.00 -0.16 0.00 0.00 57.90 55.79 1xn8 n TYR 89 Cb 0.54 -1.72 -0.11 0.00 -0.31 0.00 0.00 39.34 37.73 1xn8 n TYR 89 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1xn8 s SER 90 N 2.19 2.38 -0.52 7.72 0.01 -1.26 -5.06 113.70 119.16 1xn8 s SER 90 Ca 0.62 -1.16 0.05 0.00 1.31 0.00 0.00 55.95 56.76 1xn8 s SER 90 Cb 0.25 0.14 0.19 0.00 0.21 0.00 0.00 66.02 66.81 1xn8 s SER 90 CO -0.02 -0.38 0.44 -1.22 0.41 0.00 0.00 173.24 172.47 1xn8 n TYR 91 N 5.05 0.82 -3.95 2.43 4.01 -1.26 -4.14 117.16 120.11 1xn8 n TYR 91 Ca -0.01 -3.72 -0.36 0.00 -0.16 0.00 0.00 57.90 53.66 1xn8 n TYR 91 Cb 0.44 -0.15 -0.08 0.00 -0.31 0.00 0.00 39.34 39.24 1xn8 n TYR 91 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1xn8 s THR 92 N -0.78 5.16 0.21 -0.72 2.01 -1.26 -3.71 115.64 116.56 1xn8 s THR 92 Ca 0.31 0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.32 1xn8 s THR 92 Cb 0.04 -3.27 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 1xn8 s THR 92 CO -0.16 0.55 0.50 -0.76 -0.69 0.00 0.00 174.62 174.06 1xn8 s LEU 93 N -0.46 4.18 0.59 4.42 1.43 0.67 -2.52 118.68 127.00 1xn8 s LEU 93 Ca 0.11 0.80 0.29 0.00 -1.03 0.00 0.00 54.13 54.30 1xn8 s LEU 93 Cb -0.12 -3.56 1.60 0.00 0.03 0.00 0.00 46.19 44.14 1xn8 s LEU 93 CO 0.02 -0.06 1.89 1.23 0.23 0.00 0.00 176.35 179.66 1xn8 h GLY 94 N 2.50 0.00 -0.39 -3.19 0.00 -1.84 1.18 103.07 101.32 1xn8 h GLY 94 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1xn8 h GLY 94 CO 0.70 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.46 1xn8 n ASP 95 N -2.75 0.88 0.00 0.19 9.92 -1.26 -4.84 116.55 118.69 1xn8 n ASP 95 Ca -0.02 -1.79 0.00 0.00 -0.53 0.00 0.00 54.79 52.45 1xn8 n ASP 95 Cb 0.29 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1xn8 n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xn8 n GLY 96 N 0.86 0.87 3.82 0.44 0.00 0.40 -5.00 105.19 106.58 1xn8 n GLY 96 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.79 6.97 -0.46 1.61 0.01 -1.18 -4.75 113.70 113.11 1xn8 s SER 97 Ca 0.00 1.64 0.04 0.00 1.31 0.00 0.00 55.95 58.93 1xn8 s SER 97 Cb 0.00 -2.52 0.65 0.00 0.21 0.00 0.00 66.02 64.37 1xn8 s SER 97 CO 0.00 -0.28 1.92 -1.20 0.41 0.00 0.00 173.24 174.08 1xn8 n SER 98 N -0.40 3.94 -0.48 2.44 7.64 -1.26 0.24 113.62 125.75 1xn8 n SER 98 Ca 0.05 -3.60 0.04 0.00 1.01 0.00 0.00 58.87 56.38 1xn8 n SER 98 Cb 0.53 -0.84 -0.01 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.12 0.00 0.00 -3.43 -0.00 -1.24 -4.82 117.00 106.38 1xn8 n LEU 99 Ca 0.60 0.35 -0.08 0.00 -0.00 0.00 0.00 56.01 56.87 1xn8 n LEU 99 Cb 1.62 -1.15 -0.02 0.00 -0.00 0.00 0.00 43.42 43.87 1xn8 n LEU 99 CO 0.61 -0.87 -0.06 0.00 -0.00 0.00 0.00 177.39 177.08 1xn8 n GLN 100 N -1.43 1.25 -3.75 1.96 -0.00 -1.26 -5.10 117.38 109.05 1xn8 n GLN 100 Ca 0.00 -1.01 -0.13 0.00 -0.00 0.00 0.00 57.00 55.86 1xn8 n GLN 100 Cb 0.15 0.40 -0.13 0.00 -0.00 0.00 0.00 30.24 30.66 1xn8 n GLN 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1xn8 s LYS 101 N -2.48 0.22 -0.30 2.61 2.20 -1.26 -5.06 119.74 115.68 1xn8 s LYS 101 Ca 0.03 0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 55.81 1xn8 s LYS 101 Cb 0.00 -0.04 -0.00 0.00 -1.51 0.00 0.00 37.83 36.28 1xn8 s LYS 101 CO 0.02 -0.12 1.35 -1.25 -0.36 0.00 0.00 175.35 174.99 1xn8 s PRO 102 N 0.90 3.88 -0.95 4.03 0.04 -1.26 -4.90 135.00 136.74 1xn8 s PRO 102 Ca -0.06 1.28 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 1xn8 s PRO 102 Cb -0.08 -3.91 -0.18 0.00 0.04 0.00 0.00 34.50 30.37 1xn8 s PRO 102 CO -0.06 -1.17 1.95 -0.25 0.04 0.00 0.00 177.00 177.52 1xn8 n ASP 103 N 7.79 2.17 -1.35 6.66 8.00 -1.26 -4.59 116.55 133.97 1xn8 n ASP 103 Ca 0.15 -2.60 0.02 0.00 0.71 0.00 0.00 54.79 53.07 1xn8 n ASP 103 Cb 0.46 -1.50 0.22 0.00 -0.02 0.00 0.00 41.12 40.28 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 7.90 1.67 -0.08 2.53 0.24 -1.26 -4.17 118.33 125.17 1xn8 n VAL 104 Ca 0.45 -0.84 -0.14 0.00 -2.04 0.00 0.00 64.34 61.77 1xn8 n VAL 104 Cb 0.45 -0.42 -0.05 0.00 -1.47 0.00 0.00 33.84 32.36 1xn8 n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1xn8 h TYR 105 N 2.08 0.81 0.00 6.34 5.03 -1.98 -2.48 116.97 126.77 1xn8 h TYR 105 Ca 0.05 -0.27 -0.03 0.00 2.58 0.00 0.00 58.73 61.06 1xn8 h TYR 105 Cb 1.44 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 39.56 1xn8 h TYR 105 CO 0.67 1.02 -0.13 0.00 -1.32 0.00 0.00 178.16 178.40 1xn8 h ALA 106 N 0.65 1.31 -0.07 1.82 0.00 -1.98 1.42 119.26 122.42 1xn8 h ALA 106 Ca 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1xn8 h ALA 106 Cb 0.93 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1xn8 h ALA 106 CO 0.08 0.16 -0.11 -0.07 0.00 0.00 0.00 179.25 179.31 1xn8 h LEU 107 N 0.00 0.22 -0.89 0.00 3.38 -1.77 -3.02 115.31 113.23 1xn8 h LEU 107 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1xn8 h LEU 107 Cb 0.35 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xn8 h LEU 107 CO 0.02 0.71 -0.02 2.30 0.09 0.00 0.00 178.44 181.54 1xn8 n ILE 108 N -4.65 0.00 0.14 1.22 -5.35 -0.91 -3.83 119.36 105.97 1xn8 n ILE 108 Ca -0.08 -0.23 0.05 0.00 -0.27 0.00 0.00 62.75 62.22 1xn8 n ILE 108 Cb 0.35 0.44 0.49 0.00 -1.74 0.00 0.00 39.64 39.18 1xn8 n ILE 108 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1xn8 h LYS 109 N 2.16 0.24 0.00 6.28 3.64 0.21 0.68 116.57 129.78 1xn8 h LYS 109 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xn8 h LYS 109 Cb 0.48 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1xn8 h LYS 109 CO 0.00 0.23 0.00 -3.47 -2.27 0.00 0.00 179.45 173.94 1xn8 n ASP 110 N -4.43 0.00 -0.66 4.20 2.03 -1.25 -2.79 116.55 113.65 1xn8 n ASP 110 Ca -0.00 0.19 0.04 0.00 0.52 0.00 0.00 54.79 55.53 1xn8 n ASP 110 Cb 0.14 -0.38 0.05 0.00 -0.72 0.00 0.00 41.12 40.22 1xn8 n ASP 110 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xn8 n TYR 111 N -1.38 0.00 -2.17 -0.67 4.02 0.12 -5.09 117.16 111.99 1xn8 n TYR 111 Ca 0.09 -0.47 -0.34 0.00 -0.01 0.00 0.00 57.90 57.17 1xn8 n TYR 111 Cb 0.22 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 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 -0.90 3.48 -0.96 -0.72 1.01 0.19 -4.77 120.40 117.73 1xn8 s VAL 112 Ca 0.18 0.82 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 1xn8 s VAL 112 Cb 0.19 -3.31 -0.21 0.00 0.00 0.00 0.00 36.38 33.04 1xn8 s VAL 112 CO -0.04 -0.30 2.57 1.17 0.00 0.00 0.00 175.10 178.50 1xn8 n LYS 113 N -1.62 0.00 -1.46 2.72 0.00 -1.19 -4.85 118.16 111.76 1xn8 n LYS 113 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 58.31 58.12 1xn8 n LYS 113 Cb 0.52 -1.43 0.22 0.00 0.00 0.00 0.00 35.03 34.35 1xn8 n LYS 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1xn8 n PRO 114 N 8.07 -2.17 -3.35 1.64 -0.04 -1.26 -5.04 135.00 132.86 1xn8 n PRO 114 Ca 0.63 -1.87 -0.26 0.00 -0.04 0.00 0.00 63.50 61.96 1xn8 n PRO 114 Cb 0.03 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.94 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 -4.33 3.07 -2.91 0.55 0.00 -1.26 -5.08 120.51 110.56 1xn8 n ALA 115 Ca -0.21 -3.88 -0.11 0.00 0.00 0.00 0.00 53.44 49.24 1xn8 n ALA 115 Cb 0.57 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.45 0.06 0.19 0.00 -1.08 -1.26 -5.16 116.67 107.97 1xn8 s ASP 116 Ca 0.35 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.25 1xn8 s ASP 116 Cb 0.13 0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.63 1xn8 s ASP 116 CO -0.10 -0.09 0.00 -0.81 0.52 0.00 0.00 175.17 174.69 1xn8 n PRO 117 N 2.63 0.72 -0.80 4.34 -0.04 -1.26 -4.90 135.00 135.69 1xn8 n PRO 117 Ca -0.16 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.15 1xn8 n PRO 117 Cb 0.58 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.15 1xn8 n PRO 117 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xn8 n ASP 118 N -0.56 3.86 0.23 3.54 -0.08 -1.26 -4.12 116.55 118.16 1xn8 n ASP 118 Ca 0.00 -3.04 0.12 0.00 -1.51 0.00 0.00 54.79 50.37 1xn8 n ASP 118 Cb 0.00 -0.75 0.26 0.00 2.34 0.00 0.00 41.12 42.97 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 1.16 0.00-10.17 -2.67 8.10 -2.05 -3.45 115.31 106.24 1xn8 h LEU 119 Ca 0.40 0.00 -0.50 0.00 0.11 0.00 0.00 57.88 57.89 1xn8 h LEU 119 Cb 2.02 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 42.25 1xn8 h LEU 119 CO 0.73 0.03 0.04 -0.70 -4.11 0.00 0.00 178.44 174.43 1xn8 s GLU 120 N -3.29 3.69 -0.64 0.17 2.12 -1.26 -4.54 118.70 114.95 1xn8 s GLU 120 Ca 0.06 0.28 -0.00 0.00 0.36 0.00 0.00 54.97 55.66 1xn8 s GLU 120 Cb 0.06 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.98 1xn8 s GLU 120 CO 0.65 0.00 0.60 0.41 -0.54 0.00 0.00 175.26 176.39 1xn8 n GLY 121 N -1.39 -1.06 3.00 -1.50 0.00 -1.26 -5.06 105.19 97.92 1xn8 n GLY 121 Ca 0.01 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.03 0.17 0.00 -0.61 1.01 -1.26 -4.77 121.20 112.70 1xn8 s ILE 122 Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1xn8 s ILE 122 Cb -0.00 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.11 1xn8 s ILE 122 CO 0.63 -0.51 0.00 -0.62 0.00 0.00 0.00 174.94 174.44 1xn8 n GLU 123 N 1.52 -1.01 -0.08 2.79 1.02 -1.26 -4.78 120.64 118.83 1xn8 n GLU 123 Ca -0.23 0.25 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 1xn8 n GLU 123 Cb 0.55 -4.13 -0.14 0.00 -0.02 0.00 0.00 31.44 27.70 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 1.42 0.33 0.62 0.00 -1.26 -3.18 120.51 119.43 1xn8 n ALA 124 Ca 0.00 -1.09 0.12 0.00 0.00 0.00 0.00 53.44 52.47 1xn8 n ALA 124 Cb 0.25 -0.34 0.21 0.00 0.00 0.00 0.00 19.45 19.58 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 0.01 0.00 0.00 0.00 3.64 -1.90 -3.02 116.57 115.30 1xn8 h LYS 125 Ca -0.50 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1xn8 h LYS 125 Cb 2.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.91 1xn8 h LYS 125 CO 0.01 0.00 -0.27 0.28 -2.27 0.00 0.00 179.45 177.21 1xn8 h VAL 126 N 0.00 0.61 -0.00 2.00 2.07 -1.95 -1.97 116.25 117.01 1xn8 h VAL 126 Ca 0.00 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1xn8 h VAL 126 Cb 0.92 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1xn8 h VAL 126 CO 0.00 0.21 0.21 0.08 0.02 0.00 0.00 177.57 178.09 1xn8 h ARG 127 N -1.00 0.00 0.00 1.57 -0.00 -1.65 0.84 114.38 114.14 1xn8 h ARG 127 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.93 1xn8 h ARG 127 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.51 1xn8 h ARG 127 CO -0.03 0.00 -0.24 1.98 -0.00 0.00 0.00 179.97 181.68 1xn8 h MET 128 N 0.00 0.00 -1.01 0.08 4.05 -1.61 -3.07 114.93 113.36 1xn8 h MET 128 Ca 0.00 0.00 0.25 0.00 -0.28 0.00 0.00 59.70 59.67 1xn8 h MET 128 Cb 0.42 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.11 1xn8 h MET 128 CO -0.00 0.00 0.61 0.00 0.23 0.00 0.00 176.91 177.75 1xn8 h ARG 129 N -0.67 0.54 -1.78 0.39 3.08 -1.03 0.91 114.38 115.82 1xn8 h ARG 129 Ca 0.00 -0.03 -0.68 0.00 0.07 0.00 0.00 59.98 59.33 1xn8 h ARG 129 Cb 0.24 -0.12 -0.34 0.00 0.08 0.00 0.00 29.97 29.83 1xn8 h ARG 129 CO 0.00 0.36 0.21 0.45 -1.07 0.00 0.00 179.97 179.92 1xn8 n SER 130 N -4.81 6.18 -0.54 7.04 2.88 0.26 -5.09 113.62 119.54 1xn8 n SER 130 Ca 0.26 -3.78 0.14 0.00 -1.33 0.00 0.00 58.87 54.16 1xn8 n SER 130 Cb 0.76 -0.78 0.48 0.00 -0.75 0.00 0.00 64.21 63.92 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81