#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 4.03 0.00 -1.26 -4.11 117.00 115.66 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 0.00 0.00 -4.64 -1.96 4.77 -1.26 -5.14 117.00 108.76 1xn8 n LEU 3 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1xn8 n LEU 3 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 1xn8 n LEU 3 CO 0.00 0.00 0.62 0.27 -1.33 0.00 0.00 177.39 176.95 1xn8 s ILE 4 N 0.00 2.01 0.34 -0.08 -4.36 -1.26 -5.07 121.20 112.78 1xn8 s ILE 4 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.46 1xn8 s ILE 4 Cb 0.00 -2.43 -0.07 0.00 1.25 0.00 0.00 42.46 41.21 1xn8 s ILE 4 CO 0.00 -0.00 -0.03 0.28 0.24 0.00 0.00 174.94 175.43 1xn8 s THR 5 N -2.89 1.82 0.18 8.37 -1.32 -1.26 -5.01 115.64 115.52 1xn8 s THR 5 Ca 0.66 -2.09 0.02 0.00 -1.21 0.00 0.00 61.69 59.07 1xn8 s THR 5 Cb -0.20 -2.71 -0.13 0.00 -1.51 0.00 0.00 72.50 67.96 1xn8 s THR 5 CO 0.59 -0.14 1.41 1.55 -2.21 0.00 0.00 174.62 175.81 1xn8 h PRO 6 N 2.05 0.24 -0.49 7.08 0.13 -1.91 -3.15 132.00 135.95 1xn8 h PRO 6 Ca -0.42 -0.24 0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1xn8 h PRO 6 Cb 1.24 0.06 -0.09 0.00 0.13 0.00 0.00 31.00 32.34 1xn8 h PRO 6 CO 0.72 0.93 -0.07 0.22 -0.23 0.00 0.00 178.00 179.58 1xn8 h ASP 7 N 0.15 -0.35 -0.66 1.44 3.58 -1.96 0.17 116.42 118.79 1xn8 h ASP 7 Ca -0.04 0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 1xn8 h ASP 7 Cb 1.42 0.26 -0.03 0.00 1.72 0.00 0.00 39.33 42.70 1xn8 h ASP 7 CO 0.13 -0.12 0.30 -0.33 -2.88 0.00 0.00 179.24 176.33 1xn8 h GLU 8 N 0.05 0.99 -0.30 0.28 5.08 -1.98 0.08 114.58 118.78 1xn8 h GLU 8 Ca 0.24 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1xn8 h GLU 8 Cb 0.37 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 1xn8 h GLU 8 CO -0.46 0.79 -0.13 1.25 -1.00 0.00 0.00 179.01 179.45 1xn8 h LEU 9 N 0.97 -0.44 -1.01 1.33 5.85 -0.68 0.34 115.31 121.67 1xn8 h LEU 9 Ca 0.23 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 1xn8 h LEU 9 Cb 0.15 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1xn8 h LEU 9 CO -0.02 -0.16 -0.44 0.07 -0.34 0.00 0.00 178.44 177.54 1xn8 h LYS 10 N -0.08 0.11 -0.61 1.25 2.10 -0.85 0.65 116.57 119.13 1xn8 h LYS 10 Ca 0.15 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.72 1xn8 h LYS 10 Cb 0.31 -0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.61 1xn8 h LYS 10 CO -0.35 0.53 0.27 1.03 -2.00 0.00 0.00 179.45 178.93 1xn8 h SER 11 N 0.09 0.80 0.08 7.07 0.87 0.12 -3.15 113.55 119.42 1xn8 h SER 11 Ca 0.00 -0.09 -0.30 0.00 -1.23 0.00 0.00 61.79 60.18 1xn8 h SER 11 Cb 0.82 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1xn8 h SER 11 CO 0.06 0.69 -1.61 0.22 -0.53 0.00 0.00 176.83 175.67 1xn8 h TYR 12 N 0.87 0.30 -3.97 2.24 5.03 -0.08 -3.47 116.97 117.90 1xn8 h TYR 12 Ca 0.21 -0.22 -0.48 0.00 2.58 0.00 0.00 58.73 60.82 1xn8 h TYR 12 Cb 0.13 -0.01 0.02 0.00 1.55 0.00 0.00 36.73 38.41 1xn8 h TYR 12 CO 0.01 1.63 0.42 0.45 -1.32 0.00 0.00 178.16 179.35 1xn8 s SER 13 N -6.98 6.70 -0.19 -2.11 0.15 0.23 -4.96 113.70 106.54 1xn8 s SER 13 Ca -0.24 2.05 0.13 0.00 0.70 0.00 0.00 55.95 58.59 1xn8 s SER 13 Cb 0.06 -2.59 0.40 0.00 -1.71 0.00 0.00 66.02 62.18 1xn8 s SER 13 CO 0.71 -0.53 1.23 1.33 1.20 0.00 0.00 173.24 177.18 1xn8 n VAL 14 N -0.14 2.16 -3.44 4.45 0.24 -1.26 -4.65 118.33 115.69 1xn8 n VAL 14 Ca 0.05 -2.88 -0.38 0.00 -2.04 0.00 0.00 64.34 59.10 1xn8 n VAL 14 Cb 0.50 -0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 32.56 1xn8 n VAL 14 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xn8 s PHE 15 N -3.12 3.69 0.23 6.34 0.40 -1.26 -4.98 117.98 119.27 1xn8 s PHE 15 Ca 0.37 0.99 -0.04 0.00 -0.60 0.00 0.00 56.93 57.66 1xn8 s PHE 15 Cb 0.35 -2.37 0.23 0.00 0.51 0.00 0.00 43.02 41.74 1xn8 s PHE 15 CO -0.03 0.53 1.68 1.49 0.70 0.00 0.00 175.22 179.59 1xn8 h GLU 16 N 5.16 0.80 0.09 0.44 4.81 -1.97 0.02 114.58 123.92 1xn8 h GLU 16 Ca -0.49 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 58.46 1xn8 h GLU 16 Cb 1.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1xn8 h GLU 16 CO 0.65 0.89 -0.04 0.66 -0.73 0.00 0.00 179.01 180.43 1xn8 h SER 17 N 0.72 -0.10 -0.83 1.04 4.64 -1.93 1.40 113.55 118.48 1xn8 h SER 17 Ca 0.12 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1xn8 h SER 17 Cb 0.62 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.70 1xn8 h SER 17 CO 0.04 -0.01 0.38 0.58 -0.87 0.00 0.00 176.83 176.95 1xn8 h VAL 18 N -0.19 1.26 0.35 0.95 2.07 -1.77 0.31 116.25 119.23 1xn8 h VAL 18 Ca -0.01 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1xn8 h VAL 18 Cb 0.16 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1xn8 h VAL 18 CO 0.02 0.32 -0.17 0.11 0.02 0.00 0.00 177.57 177.87 1xn8 h LYS 19 N 1.19 -0.45 -0.44 1.57 1.57 -0.61 -3.18 116.57 116.23 1xn8 h LYS 19 Ca 0.28 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.17 1xn8 h LYS 19 Cb 0.14 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 1xn8 h LYS 19 CO -0.03 -0.14 0.06 1.79 -0.57 0.00 0.00 179.45 180.56 1xn8 h THR 20 N -0.79 0.73 -2.41 -0.16 1.35 0.21 -3.43 112.91 108.41 1xn8 h THR 20 Ca -0.05 -0.06 -0.61 0.00 -0.55 0.00 0.00 66.41 65.15 1xn8 h THR 20 Cb 0.52 0.53 0.14 0.00 -1.73 0.00 0.00 68.15 67.61 1xn8 h THR 20 CO 0.08 0.03 -0.23 0.54 -0.25 0.00 0.00 175.52 175.69 1xn8 n ARG 21 N -5.14 0.78 -1.55 4.72 1.74 0.11 -4.94 116.66 112.38 1xn8 n ARG 21 Ca 0.04 0.28 -0.29 0.00 -0.77 0.00 0.00 57.85 57.10 1xn8 n ARG 21 Cb 0.22 -1.62 0.11 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.63 1.69 0.17 5.56 0.04 -1.26 -4.85 135.00 134.72 1xn8 s PRO 22 Ca 0.63 0.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 1xn8 s PRO 22 Cb -0.63 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.06 1xn8 s PRO 22 CO 0.58 -1.86 1.42 -0.44 0.04 0.00 0.00 177.00 176.74 1xn8 h ASP 23 N -1.26 0.53 0.19 6.66 5.19 -1.94 0.16 116.42 125.95 1xn8 h ASP 23 Ca -0.48 -0.35 -0.02 0.00 -0.62 0.00 0.00 57.03 55.55 1xn8 h ASP 23 Cb 1.30 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.64 1xn8 h ASP 23 CO 0.60 1.10 -0.12 1.05 -3.12 0.00 0.00 179.24 178.75 1xn8 h GLU 24 N 0.31 0.00 0.08 3.56 4.11 -1.99 0.12 114.58 120.76 1xn8 h GLU 24 Ca -0.03 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.08 1xn8 h GLU 24 Cb 1.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1xn8 h GLU 24 CO 0.13 0.12 -1.70 -0.07 0.07 0.00 0.00 179.01 177.56 1xn8 h LEU 25 N 0.00 0.26 -0.48 3.06 3.38 -1.89 -3.21 115.31 116.44 1xn8 h LEU 25 Ca -0.00 -0.78 0.07 0.00 0.09 0.00 0.00 57.88 57.26 1xn8 h LEU 25 Cb 0.24 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1xn8 h LEU 25 CO 0.02 1.71 0.15 -0.07 0.09 0.00 0.00 178.44 180.34 1xn8 h LEU 26 N -0.35 0.12 -0.60 1.67 3.38 -0.40 -0.45 115.31 118.68 1xn8 h LEU 26 Ca -0.39 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1xn8 h LEU 26 Cb 1.75 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.52 1xn8 h LEU 26 CO -0.03 0.10 0.38 0.07 0.09 0.00 0.00 178.44 179.05 1xn8 h LYS 27 N 0.31 0.73 -0.81 1.13 2.10 -0.93 0.17 116.57 119.27 1xn8 h LYS 27 Ca 0.23 -0.04 0.10 0.00 -2.00 0.00 0.00 60.65 58.94 1xn8 h LYS 27 Cb 0.26 -0.16 -0.06 0.00 -0.90 0.00 0.00 32.23 31.37 1xn8 h LYS 27 CO -0.25 0.48 0.53 1.96 -2.00 0.00 0.00 179.45 180.16 1xn8 h GLN 28 N 0.75 0.70 -0.02 0.07 4.20 -1.16 0.19 115.11 119.84 1xn8 h GLN 28 Ca 0.24 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1xn8 h GLN 28 Cb -0.01 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1xn8 h GLN 28 CO -0.09 0.46 -0.11 0.22 -0.67 0.00 0.00 178.83 178.65 1xn8 h ASP 29 N 0.72 0.13 -0.90 1.46 1.82 0.15 -2.00 116.42 117.81 1xn8 h ASP 29 Ca 0.38 -0.67 0.16 0.00 -0.39 0.00 0.00 57.03 56.51 1xn8 h ASP 29 Cb 0.50 -0.04 -0.07 0.00 0.68 0.00 0.00 39.33 40.40 1xn8 h ASP 29 CO -0.15 0.78 0.58 0.40 -1.61 0.00 0.00 179.24 179.24 1xn8 h ILE 30 N -0.51 0.79 -0.24 2.25 2.04 0.18 0.57 117.51 122.59 1xn8 h ILE 30 Ca -0.01 -0.21 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 1xn8 h ILE 30 Cb 0.78 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1xn8 h ILE 30 CO 0.02 0.11 -0.47 -0.07 0.00 0.00 0.00 178.15 177.75 1xn8 h LEU 31 N 0.63 0.68 -0.98 1.44 3.38 -0.61 -2.20 115.31 117.65 1xn8 h LEU 31 Ca 0.46 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1xn8 h LEU 31 Cb 0.83 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1xn8 h LEU 31 CO -0.21 1.05 -0.30 -0.08 0.09 0.00 0.00 178.44 178.98 1xn8 h GLU 32 N 0.50 0.00 -0.10 1.13 4.22 0.48 -2.92 114.58 117.90 1xn8 h GLU 32 Ca 0.03 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.37 1xn8 h GLU 32 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1xn8 h GLU 32 CO 0.09 0.30 -0.32 0.00 -2.18 0.00 0.00 179.01 176.91 1xn8 h ALA 33 N 1.70 0.18 0.00 2.92 0.00 0.25 -2.98 119.26 121.33 1xn8 h ALA 33 Ca -0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xn8 h ALA 33 Cb 0.84 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1xn8 h ALA 33 CO 0.04 0.22 -0.00 0.00 0.00 0.00 0.00 179.25 179.51 1xn8 h THR 34 N -0.05 0.60 -0.62 0.00 1.03 -1.29 -0.78 112.91 111.81 1xn8 h THR 34 Ca -0.01 -0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.36 1xn8 h THR 34 Cb 0.95 1.00 -0.03 0.00 -1.07 0.00 0.00 68.15 69.00 1xn8 h THR 34 CO 0.07 0.00 0.28 0.00 -0.01 0.00 0.00 175.52 175.86 1xn8 h ALA 35 N 2.00 0.81 -0.00 0.00 0.00 -1.35 1.15 119.26 121.86 1xn8 h ALA 35 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xn8 h ALA 35 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1xn8 h ALA 35 CO 0.00 0.39 -0.00 0.22 0.00 0.00 0.00 179.25 179.86 1xn8 h ASP 36 N 0.86 0.01 -0.76 0.00 1.82 -1.18 -0.41 116.42 116.75 1xn8 h ASP 36 Ca 0.21 -0.46 0.01 0.00 -0.39 0.00 0.00 57.03 56.40 1xn8 h ASP 36 Cb 0.15 -0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 1xn8 h ASP 36 CO -0.02 0.47 0.50 0.40 -1.61 0.00 0.00 179.24 178.98 1xn8 h ILE 37 N -0.45 1.17 -0.45 2.25 2.04 -1.20 0.29 117.51 121.16 1xn8 h ILE 37 Ca 0.00 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1xn8 h ILE 37 Cb 0.47 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1xn8 h ILE 37 CO 0.00 0.18 0.16 0.40 0.00 0.00 0.00 178.15 178.89 1xn8 h ILE 38 N 1.01 1.18 0.00 -0.67 2.04 0.14 1.00 117.51 122.21 1xn8 h ILE 38 Ca 0.29 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1xn8 h ILE 38 Cb -0.08 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1xn8 h ILE 38 CO -0.07 0.23 -0.31 -0.07 0.00 0.00 0.00 178.15 177.92 1xn8 h LEU 39 N 0.65 0.00 -0.02 1.44 3.38 0.42 1.41 115.31 122.58 1xn8 h LEU 39 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1xn8 h LEU 39 Cb 0.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xn8 h LEU 39 CO -0.01 0.31 -0.33 0.11 0.09 0.00 0.00 178.44 178.61 1xn8 h LYS 40 N 0.00 0.25 0.10 1.13 1.57 0.13 -3.30 116.57 116.45 1xn8 h LYS 40 Ca -0.00 -0.25 -0.27 0.00 -1.87 0.00 0.00 60.65 58.26 1xn8 h LYS 40 Cb 1.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1xn8 h LYS 40 CO 0.04 0.94 -1.31 -0.39 -0.57 0.00 0.00 179.45 178.16 1xn8 h VAL 41 N -0.35 1.40 0.00 0.50 -1.51 -0.86 -3.41 116.25 112.03 1xn8 h VAL 41 Ca -0.04 -3.03 0.00 0.00 -1.23 0.00 0.00 66.70 62.41 1xn8 h VAL 41 Cb 1.04 2.85 0.00 0.00 -2.13 0.00 0.00 31.29 33.05 1xn8 h VAL 41 CO 0.07 0.87 0.00 0.61 -1.23 0.00 0.00 177.57 177.88 1xn8 n GLY 42 N 1.54 0.95 3.14 5.19 0.00 0.47 -3.60 105.19 112.87 1xn8 n GLY 42 Ca -0.10 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1xn8 n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xn8 s HIS 43 N -2.00 -0.35 -1.02 1.61 3.76 -0.50 -5.00 115.29 111.81 1xn8 s HIS 43 Ca 0.00 0.82 0.16 0.00 -0.15 0.00 0.00 55.06 55.89 1xn8 s HIS 43 Cb 0.00 0.10 0.68 0.00 1.11 0.00 0.00 32.58 34.47 1xn8 s HIS 43 CO 0.00 -0.20 1.57 -3.47 -0.85 0.00 0.00 174.74 171.79 1xn8 n ASP 44 N 3.52 4.57 -3.49 1.40 -0.08 -1.26 -4.48 116.55 116.73 1xn8 n ASP 44 Ca -0.18 -2.49 -0.38 0.00 -1.51 0.00 0.00 54.79 50.23 1xn8 n ASP 44 Cb 0.56 -0.58 0.04 0.00 2.34 0.00 0.00 41.12 43.48 1xn8 n ASP 44 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1xn8 n PHE 45 N 0.93 -2.59 -0.12 -0.67 3.72 -1.26 -4.92 117.46 112.55 1xn8 n PHE 45 Ca 0.24 1.09 -0.18 0.00 -0.05 0.00 0.00 57.45 58.55 1xn8 n PHE 45 Cb 0.88 -1.78 -0.11 0.00 -0.94 0.00 0.00 39.48 37.53 1xn8 n PHE 45 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1xn8 n SER 46 N -0.34 2.06 -4.65 4.37 2.88 -1.26 -4.90 113.62 111.78 1xn8 n SER 46 Ca -0.11 -0.12 -0.42 0.00 -1.33 0.00 0.00 58.87 56.89 1xn8 n SER 46 Cb 0.68 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 1xn8 n SER 46 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1xn8 s ASP 47 N -6.45 6.34 0.32 -3.46 1.01 -1.26 -4.81 116.67 108.37 1xn8 s ASP 47 Ca -0.34 2.37 0.23 0.00 0.71 0.00 0.00 52.55 55.53 1xn8 s ASP 47 Cb 0.09 -2.53 1.18 0.00 1.01 0.00 0.00 42.92 42.67 1xn8 s ASP 47 CO 0.57 -1.18 1.71 0.00 0.21 0.00 0.00 175.17 176.48 1xn8 h ALA 48 N 11.03 1.00 -0.48 5.23 0.00 -1.99 0.25 119.26 134.30 1xn8 h ALA 48 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xn8 h ALA 48 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xn8 h ALA 48 CO 0.95 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.35 1xn8 n GLU 49 N -2.30 3.25 -2.71 0.00 0.28 -1.26 -4.34 120.64 113.55 1xn8 n GLU 49 Ca -0.01 -2.20 -0.07 0.00 -0.16 0.00 0.00 57.16 54.72 1xn8 n GLU 49 Cb 0.08 -1.81 0.09 0.00 1.43 0.00 0.00 31.44 31.23 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 0.74 -2.28 -3.20 -1.84 9.36 0.87 -5.03 117.16 115.77 1xn8 n TYR 50 Ca 0.20 -1.71 -0.23 0.00 3.32 0.00 0.00 57.90 59.47 1xn8 n TYR 50 Cb 0.76 1.51 -0.06 0.00 -0.63 0.00 0.00 39.34 40.91 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 0.58 0.34 -2.53 2.97 5.41 -1.20 -4.61 119.36 120.32 1xn8 n ILE 51 Ca 0.03 -4.53 -0.37 0.00 1.00 0.00 0.00 62.75 58.89 1xn8 n ILE 51 Cb 0.71 -1.48 -0.04 0.00 -0.71 0.00 0.00 39.64 38.12 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 -1.96 4.21 -0.41 0.38 0.04 -1.26 -5.02 135.00 130.98 1xn8 s PRO 52 Ca 0.39 1.55 0.07 0.00 0.04 0.00 0.00 61.00 63.04 1xn8 s PRO 52 Cb 0.23 -2.61 0.22 0.00 0.04 0.00 0.00 34.50 32.38 1xn8 s PRO 52 CO -0.09 -0.11 0.47 -0.11 0.04 0.00 0.00 177.00 177.20 1xn8 n LEU 53 N 0.06 0.11 0.00 -3.56 7.94 -1.26 -5.06 117.00 115.22 1xn8 n LEU 53 Ca 0.04 -4.62 -0.11 0.00 -1.11 0.00 0.00 56.01 50.21 1xn8 n LEU 53 Cb 0.49 0.55 0.09 0.00 0.53 0.00 0.00 43.42 45.08 1xn8 n LEU 53 CO 0.46 2.00 0.29 -0.81 -1.11 0.00 0.00 177.39 178.21 1xn8 n PRO 54 N 1.86 -1.16 0.00 1.96 -0.04 -1.26 -4.80 135.00 131.57 1xn8 n PRO 54 Ca 0.24 -0.73 -0.19 0.00 -0.04 0.00 0.00 63.50 62.79 1xn8 n PRO 54 Cb 0.51 -0.58 -0.09 0.00 -0.04 0.00 0.00 33.50 33.31 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 0.75 -0.77 0.54 4.57 -2.00 -1.45 114.58 116.23 1xn8 h GLU 55 Ca -0.16 -0.70 0.09 0.00 -1.18 0.00 0.00 59.36 57.41 1xn8 h GLU 55 Cb 0.47 0.17 -0.07 0.00 -0.16 0.00 0.00 28.75 29.16 1xn8 h GLU 55 CO 0.11 1.29 0.42 0.00 -1.18 0.00 0.00 179.01 179.65 1xn8 h THR 56 N 0.47 0.90 0.11 0.32 1.03 -1.94 0.71 112.91 114.52 1xn8 h THR 56 Ca -0.09 -0.25 -0.01 0.00 -0.01 0.00 0.00 66.41 66.06 1xn8 h THR 56 Cb 1.53 0.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.72 1xn8 h THR 56 CO 0.18 0.13 -0.05 0.58 -0.01 0.00 0.00 175.52 176.35 1xn8 h VAL 57 N 0.72 1.08 -0.95 0.00 2.07 -1.83 -0.02 116.25 117.31 1xn8 h VAL 57 Ca 0.37 -1.21 0.19 0.00 0.82 0.00 0.00 66.70 66.87 1xn8 h VAL 57 Cb 0.34 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.81 1xn8 h VAL 57 CO -0.24 0.27 0.61 0.03 0.02 0.00 0.00 177.57 178.25 1xn8 h ARG 58 N -0.76 0.60 -0.06 1.57 3.08 -0.85 0.33 114.38 118.28 1xn8 h ARG 58 Ca -0.02 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1xn8 h ARG 58 Cb 0.56 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1xn8 h ARG 58 CO 0.02 0.40 -0.20 1.25 -1.07 0.00 0.00 179.97 180.37 1xn8 h LEU 59 N 0.62 0.29 -0.65 3.04 5.85 0.46 0.17 115.31 125.09 1xn8 h LEU 59 Ca 0.52 -0.61 0.10 0.00 0.84 0.00 0.00 57.88 58.72 1xn8 h LEU 59 Cb 0.99 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.86 1xn8 h LEU 59 CO -0.27 0.85 0.27 0.00 -0.34 0.00 0.00 178.44 178.95 1xn8 h ALA 60 N 0.45 0.86 -0.30 1.25 0.00 0.93 0.70 119.26 123.14 1xn8 h ALA 60 Ca -0.01 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1xn8 h ALA 60 Cb 0.82 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xn8 h ALA 60 CO 0.04 -0.16 -0.34 1.25 0.00 0.00 0.00 179.25 180.05 1xn8 h LEU 61 N 0.46 0.82 -0.56 0.00 7.12 -0.42 -0.83 115.31 121.91 1xn8 h LEU 61 Ca 0.33 -0.48 0.05 0.00 0.13 0.00 0.00 57.88 57.91 1xn8 h LEU 61 Cb 0.40 -0.23 -0.05 0.00 -0.53 0.00 0.00 40.66 40.25 1xn8 h LEU 61 CO -0.30 1.14 0.29 -0.07 -0.13 0.00 0.00 178.44 179.36 1xn8 h LEU 62 N 0.52 0.42 -0.17 2.25 3.38 0.81 1.26 115.31 123.77 1xn8 h LEU 62 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1xn8 h LEU 62 Cb 0.92 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1xn8 h LEU 62 CO 0.08 0.28 0.05 0.11 0.09 0.00 0.00 178.44 179.05 1xn8 h LYS 63 N 0.55 0.27 -0.62 1.13 1.57 0.44 -0.25 116.57 119.67 1xn8 h LYS 63 Ca 0.25 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1xn8 h LYS 63 Cb 0.15 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1xn8 h LYS 63 CO -0.17 0.39 0.39 -0.07 -0.57 0.00 0.00 179.45 179.43 1xn8 h LEU 64 N 0.09 0.72 -0.59 2.94 3.38 -0.42 0.76 115.31 122.18 1xn8 h LEU 64 Ca 0.05 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1xn8 h LEU 64 Cb 0.24 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1xn8 h LEU 64 CO -0.00 0.54 0.34 -1.28 0.09 0.00 0.00 178.44 178.13 1xn8 h SER 65 N 0.83 0.52 -0.13 -0.43 0.87 0.18 0.42 113.55 115.82 1xn8 h SER 65 Ca 0.22 0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.63 1xn8 h SER 65 Cb -0.06 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1xn8 h SER 65 CO -0.05 0.35 -0.56 -0.61 -0.53 0.00 0.00 176.83 175.44 1xn8 h GLN 66 N 0.65 0.72 -0.07 2.24 4.15 -0.39 0.30 115.11 122.71 1xn8 h GLN 66 Ca 0.25 -0.46 -0.00 0.00 0.77 0.00 0.00 58.65 59.21 1xn8 h GLN 66 Cb 0.10 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1xn8 h GLN 66 CO -0.14 1.09 0.03 0.35 -1.93 0.00 0.00 178.83 178.23 1xn8 h PHE 67 N 0.55 0.11 0.10 3.99 3.04 0.12 0.17 116.94 125.02 1xn8 h PHE 67 Ca 0.01 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1xn8 h PHE 67 Cb 1.14 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.62 1xn8 h PHE 67 CO 0.06 0.19 -0.05 1.88 -2.02 0.00 0.00 178.31 178.38 1xn8 h TYR 68 N -0.01 -0.12 -0.50 0.41 0.05 -0.21 -2.91 116.97 113.68 1xn8 h TYR 68 Ca 0.02 -0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.95 1xn8 h TYR 68 Cb 0.13 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1xn8 h TYR 68 CO -0.03 0.39 0.48 0.00 -1.05 0.00 0.00 178.16 177.95 1xn8 h ALA 69 N -0.05 2.27 -0.26 3.88 0.00 -0.44 0.63 119.26 125.30 1xn8 h ALA 69 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1xn8 h ALA 69 Cb 0.57 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xn8 h ALA 69 CO 0.02 -0.73 -0.37 1.25 0.00 0.00 0.00 179.25 179.42 1xn8 h LEU 70 N 0.00 0.78 -3.46 0.00 5.85 -0.87 -2.84 115.31 114.78 1xn8 h LEU 70 Ca 0.24 -0.51 -0.14 0.00 0.84 0.00 0.00 57.88 58.31 1xn8 h LEU 70 Cb 1.18 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 1xn8 h LEU 70 CO -0.00 1.14 0.18 2.30 -0.34 0.00 0.00 178.44 181.71 1xn8 n ILE 71 N -4.20 2.65 0.17 4.05 -5.35 0.18 -3.81 119.36 113.04 1xn8 n ILE 71 Ca -0.05 -1.40 0.05 0.00 -0.27 0.00 0.00 62.75 61.08 1xn8 n ILE 71 Cb 0.52 -0.37 -0.07 0.00 -1.74 0.00 0.00 39.64 37.99 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 0.11 1.87 -3.23 7.28 2.85 0.12 -4.87 115.26 119.38 1xn8 n ASN 72 Ca 0.34 -0.29 -0.01 0.00 -0.11 0.00 0.00 54.58 54.51 1xn8 n ASN 72 Cb 1.25 1.26 -0.02 0.00 1.24 0.00 0.00 39.78 43.51 1xn8 n ASN 72 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1xn8 s GLY 73 N -2.61 -1.10 -0.20 8.20 0.00 -1.18 -5.04 107.32 105.39 1xn8 s GLY 73 Ca -0.01 0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.70 1xn8 s GLY 73 CO 0.39 3.54 0.48 -0.35 0.00 0.00 0.00 173.10 177.17 1xn8 s ASP 74 N 1.83 -0.60 -1.27 1.64 -1.08 -1.26 -4.70 116.67 111.23 1xn8 s ASP 74 Ca 0.16 1.07 -0.10 0.00 -0.52 0.00 0.00 52.55 53.16 1xn8 s ASP 74 Cb -0.06 1.05 -0.07 0.00 -1.46 0.00 0.00 42.92 42.39 1xn8 s ASP 74 CO -0.07 -0.21 2.47 -0.62 0.52 0.00 0.00 175.17 177.26 1xn8 n GLU 75 N 4.49 2.81 0.00 4.34 1.02 -1.26 -3.41 120.64 128.62 1xn8 n GLU 75 Ca -0.20 -1.94 0.00 0.00 -0.02 0.00 0.00 57.16 55.00 1xn8 n GLU 75 Cb 0.55 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.23 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xn8 n SER 76 N 4.46 0.00 -4.68 1.62 2.88 -1.26 -5.12 113.62 111.53 1xn8 n SER 76 Ca 0.60 0.00 -0.59 0.00 -1.33 0.00 0.00 58.87 57.56 1xn8 n SER 76 Cb 0.23 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.61 1xn8 n SER 76 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xn8 n ILE 77 N 0.00 0.16 -3.68 2.46 5.41 -1.22 -4.93 119.36 117.55 1xn8 n ILE 77 Ca 0.00 -0.03 -0.14 0.00 1.00 0.00 0.00 62.75 63.59 1xn8 n ILE 77 Cb 0.00 -0.88 -0.13 0.00 -0.71 0.00 0.00 39.64 37.91 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 2.50 -0.29 0.38 1.39 1.01 -0.13 -4.83 121.20 121.22 1xn8 s ILE 78 Ca 0.96 0.25 -0.16 0.00 0.00 0.00 0.00 60.65 61.70 1xn8 s ILE 78 Cb -1.15 -0.40 -0.09 0.00 0.01 0.00 0.00 42.46 40.82 1xn8 s ILE 78 CO 0.64 0.11 0.82 -1.59 0.00 0.00 0.00 174.94 174.92 1xn8 s LYS 79 N 2.07 4.04 0.00 2.79 -2.85 -1.25 -4.14 119.74 120.39 1xn8 s LYS 79 Ca -0.02 0.80 0.00 0.00 -1.00 0.00 0.00 55.97 55.75 1xn8 s LYS 79 Cb -0.12 -2.33 0.00 0.00 -2.06 0.00 0.00 37.83 33.32 1xn8 s LYS 79 CO -0.08 0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.83 1xn8 n GLY 80 N -0.64 1.70 7.00 0.59 0.00 -1.22 -5.01 105.19 107.62 1xn8 n GLY 80 Ca 0.05 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1xn8 n GLY 80 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xn8 n TYR 81 N 0.00 -0.24 -3.64 1.61 0.18 -1.26 -4.88 117.16 108.93 1xn8 n TYR 81 Ca 0.00 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.72 1xn8 n TYR 81 Cb 0.00 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 38.89 1xn8 n TYR 81 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1xn8 s THR 82 N 0.00 0.00 0.00 -3.48 -1.32 -1.26 -5.16 115.64 104.42 1xn8 s THR 82 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1xn8 s THR 82 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1xn8 s THR 82 CO 0.00 0.00 0.00 1.07 -2.21 0.00 0.00 174.62 173.48 1xn8 n THR 83 N 3.93 0.00 -2.88 5.08 5.66 -1.26 -5.18 114.28 119.62 1xn8 n THR 83 Ca -0.19 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.77 1xn8 n THR 83 Cb 0.58 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.38 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 0.84 -2.47 1.09 -0.58 -1.26 -5.04 120.64 113.22 1xn8 n GLU 84 Ca 0.00 -0.61 -0.43 0.00 -0.42 0.00 0.00 57.16 55.71 1xn8 n GLU 84 Cb 0.00 -0.06 -0.02 0.00 -0.57 0.00 0.00 31.44 30.78 1xn8 n GLU 84 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1xn8 s LYS 85 N -2.59 4.31 0.00 3.49 1.02 -1.26 -4.95 119.74 119.76 1xn8 s LYS 85 Ca 0.12 1.64 0.00 0.00 0.02 0.00 0.00 55.97 57.75 1xn8 s LYS 85 Cb -0.01 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 1xn8 s LYS 85 CO 0.08 -0.53 0.00 -0.89 -0.92 0.00 0.00 175.35 173.09 1xn8 n ILE 86 N 4.89 0.00 -2.67 2.17 5.41 -1.26 -5.10 119.36 122.79 1xn8 n ILE 86 Ca 0.12 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.82 1xn8 n ILE 86 Cb 0.46 0.00 0.09 0.00 -0.71 0.00 0.00 39.64 39.48 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 0.00 1.01 2.19 7.39 0.00 -1.26 -5.12 105.19 109.40 1xn8 n GLY 87 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.77 0.75 -4.34 1.61 9.92 -1.26 -5.01 116.55 117.45 1xn8 n ASP 88 Ca -0.10 -1.64 -0.37 0.00 -0.53 0.00 0.00 54.79 52.15 1xn8 n ASP 88 Cb 0.80 -0.37 -0.13 0.00 -0.64 0.00 0.00 41.12 40.79 1xn8 n ASP 88 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 1xn8 s TYR 89 N -1.66 3.14 0.00 1.24 -0.85 -1.26 -4.85 117.35 113.10 1xn8 s TYR 89 Ca 0.38 -0.98 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 1xn8 s TYR 89 Cb -0.02 -2.25 0.00 0.00 0.38 0.00 0.00 41.96 40.07 1xn8 s TYR 89 CO 0.25 -0.57 0.00 0.43 -1.52 0.00 0.00 175.55 174.13 1xn8 n SER 90 N 4.86 0.00 -0.15 -0.18 7.64 -1.26 -4.96 113.62 119.56 1xn8 n SER 90 Ca -0.15 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.76 1xn8 n SER 90 Cb 0.48 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.69 1xn8 n SER 90 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xn8 n TYR 91 N 0.00 0.00 -1.38 1.43 4.02 -1.26 -3.36 117.16 116.60 1xn8 n TYR 91 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 1xn8 n TYR 91 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 1xn8 n TYR 91 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1xn8 n THR 92 N 0.04 -1.16 -4.45 -0.72 -1.04 -1.26 -0.96 114.28 104.73 1xn8 n THR 92 Ca 0.02 0.94 -0.23 0.00 -2.04 0.00 0.00 64.05 62.74 1xn8 n THR 92 Cb 0.10 -1.44 -0.09 0.00 -1.82 0.00 0.00 70.33 67.08 1xn8 n THR 92 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xn8 s LEU 93 N -6.73 1.94 0.33 -4.42 1.43 -0.46 -4.45 118.68 106.32 1xn8 s LEU 93 Ca 0.00 -1.59 0.07 0.00 -1.03 0.00 0.00 54.13 51.59 1xn8 s LEU 93 Cb 0.00 -0.07 0.77 0.00 0.03 0.00 0.00 46.19 46.91 1xn8 s LEU 93 CO 0.00 -0.86 1.83 1.23 0.23 0.00 0.00 176.35 178.78 1xn8 h GLY 94 N 1.97 1.45 -1.30 -3.19 0.00 -1.95 1.09 103.07 101.13 1xn8 h GLY 94 Ca -0.36 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1xn8 h GLY 94 CO 0.58 0.05 0.00 1.22 0.00 0.00 0.00 176.54 178.39 1xn8 n ASP 95 N -4.63 1.89 -2.20 0.19 8.00 -1.26 -4.87 116.55 113.68 1xn8 n ASP 95 Ca 0.20 -2.06 -0.17 0.00 0.71 0.00 0.00 54.79 53.47 1xn8 n ASP 95 Cb 0.50 -0.27 0.01 0.00 -0.02 0.00 0.00 41.12 41.35 1xn8 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xn8 n GLY 96 N 0.89 -0.29 3.87 0.44 0.00 0.38 -4.99 105.19 105.49 1xn8 n GLY 96 Ca 0.11 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.54 6.48 -0.89 1.61 0.01 -1.25 -4.66 113.70 112.45 1xn8 s SER 97 Ca 0.13 0.58 -0.25 0.00 1.31 0.00 0.00 55.95 57.73 1xn8 s SER 97 Cb -0.06 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.08 1xn8 s SER 97 CO 0.17 0.39 1.55 -0.55 0.41 0.00 0.00 173.24 175.21 1xn8 s SER 98 N -1.04 6.04 -0.39 2.44 0.15 -1.26 -1.35 113.70 118.28 1xn8 s SER 98 Ca 0.17 -0.90 -0.29 0.00 0.70 0.00 0.00 55.95 55.63 1xn8 s SER 98 Cb -0.13 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.54 1xn8 s SER 98 CO 0.06 -1.91 2.31 -0.11 1.20 0.00 0.00 173.24 174.79 1xn8 n LEU 99 N 10.38 2.51 -4.90 3.45 7.94 -1.26 -4.92 117.00 130.20 1xn8 n LEU 99 Ca 0.26 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.88 1xn8 n LEU 99 Cb 0.50 -1.46 -0.03 0.00 0.53 0.00 0.00 43.42 42.95 1xn8 n LEU 99 CO 0.66 -1.00 0.22 -1.10 -1.11 0.00 0.00 177.39 175.06 1xn8 s GLN 100 N 7.15 3.66 0.52 1.96 -0.21 -1.26 -4.26 119.66 127.22 1xn8 s GLN 100 Ca 1.04 0.07 -0.18 0.00 0.02 0.00 0.00 55.36 56.31 1xn8 s GLN 100 Cb -0.45 -2.63 -0.14 0.00 1.00 0.00 0.00 33.01 30.79 1xn8 s GLN 100 CO 0.36 0.21 -0.08 1.63 -2.12 0.00 0.00 175.29 175.29 1xn8 n LYS 101 N -0.88 0.05 -2.16 2.91 5.02 -1.26 -4.89 118.16 116.95 1xn8 n LYS 101 Ca -0.01 0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 1xn8 n LYS 101 Cb 0.54 -1.06 -0.00 0.00 -0.02 0.00 0.00 35.03 34.48 1xn8 n LYS 101 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xn8 s PRO 102 N -1.12 3.47 -1.34 1.97 0.04 -1.26 -4.92 135.00 131.83 1xn8 s PRO 102 Ca 0.58 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 1xn8 s PRO 102 Cb -0.49 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 1xn8 s PRO 102 CO 0.65 -0.69 2.27 -3.47 0.04 0.00 0.00 177.00 175.81 1xn8 n ASP 103 N -1.82 4.33 -0.00 6.66 -0.08 -1.26 -4.20 116.55 120.17 1xn8 n ASP 103 Ca 0.09 -2.76 0.05 0.00 -1.51 0.00 0.00 54.79 50.66 1xn8 n ASP 103 Cb 0.53 -1.53 -0.07 0.00 2.34 0.00 0.00 41.12 42.39 1xn8 n ASP 103 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1xn8 n VAL 104 N 5.02 0.00 -0.22 5.18 0.24 -1.26 -4.50 118.33 122.79 1xn8 n VAL 104 Ca 0.55 -0.24 0.22 0.00 -2.04 0.00 0.00 64.34 62.83 1xn8 n VAL 104 Cb 0.36 0.87 0.59 0.00 -1.47 0.00 0.00 33.84 34.19 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 0.00 0.36 0.00 6.34 5.03 -1.98 0.95 116.97 127.66 1xn8 h TYR 105 Ca 0.00 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.21 1xn8 h TYR 105 Cb 0.31 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.47 1xn8 h TYR 105 CO 0.00 0.09 -0.53 0.00 -1.32 0.00 0.00 178.16 176.40 1xn8 h ALA 106 N 1.60 1.10 -0.02 1.82 0.00 -1.94 0.13 119.26 121.94 1xn8 h ALA 106 Ca 0.46 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xn8 h ALA 106 Cb 1.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xn8 h ALA 106 CO -0.12 0.66 -0.02 -0.07 0.00 0.00 0.00 179.25 179.69 1xn8 h LEU 107 N 0.00 0.05 -0.47 0.00 3.38 0.61 -2.85 115.31 116.03 1xn8 h LEU 107 Ca -0.01 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1xn8 h LEU 107 Cb 0.95 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1xn8 h LEU 107 CO 0.07 0.56 0.00 2.30 0.09 0.00 0.00 178.44 181.45 1xn8 n ILE 108 N -4.80 0.75 0.04 1.22 -5.35 -0.47 -2.62 119.36 108.14 1xn8 n ILE 108 Ca -0.08 0.08 0.14 0.00 -0.27 0.00 0.00 62.75 62.62 1xn8 n ILE 108 Cb 0.28 -0.98 0.61 0.00 -1.74 0.00 0.00 39.64 37.81 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 0.00 0.14 0.00 6.28 3.64 -0.48 1.15 116.57 127.30 1xn8 h LYS 109 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xn8 h LYS 109 Cb 0.47 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1xn8 h LYS 109 CO 0.00 0.09 0.00 -3.47 -2.27 0.00 0.00 179.45 173.80 1xn8 n ASP 110 N -4.45 0.58 -2.81 4.20 2.03 -1.08 -3.24 116.55 111.79 1xn8 n ASP 110 Ca 0.06 0.61 -0.01 0.00 0.52 0.00 0.00 54.79 55.97 1xn8 n ASP 110 Cb 0.38 -0.75 0.05 0.00 -0.72 0.00 0.00 41.12 40.09 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 -2.10 1.10 -4.31 -0.67 4.01 0.33 -5.09 117.16 110.43 1xn8 n TYR 111 Ca 0.03 -2.21 -0.35 0.00 -0.16 0.00 0.00 57.90 55.21 1xn8 n TYR 111 Cb 0.28 -0.17 -0.09 0.00 -0.31 0.00 0.00 39.34 39.05 1xn8 n TYR 111 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xn8 s VAL 112 N -3.54 4.41 -0.72 -0.72 1.01 0.23 -4.76 120.40 116.30 1xn8 s VAL 112 Ca 0.26 -0.20 -0.36 0.00 0.00 0.00 0.00 61.98 61.68 1xn8 s VAL 112 Cb 0.34 -2.88 -0.19 0.00 0.00 0.00 0.00 36.38 33.66 1xn8 s VAL 112 CO -0.03 0.59 2.43 1.17 0.00 0.00 0.00 175.10 179.25 1xn8 n LYS 113 N 2.34 0.17 -1.34 2.72 3.00 -1.24 -4.87 118.16 118.93 1xn8 n LYS 113 Ca -0.18 0.03 -0.27 0.00 -0.00 0.00 0.00 58.31 57.88 1xn8 n LYS 113 Cb 0.54 -1.71 0.21 0.00 0.00 0.00 0.00 35.03 34.06 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 8.13 -2.04 -3.29 1.64 -0.04 -1.26 -4.99 135.00 133.14 1xn8 n PRO 114 Ca 0.58 -1.73 -0.36 0.00 -0.04 0.00 0.00 63.50 61.95 1xn8 n PRO 114 Cb 0.05 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 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 4.49 -2.36 0.55 0.00 -1.26 -5.02 120.51 112.68 1xn8 n ALA 115 Ca -0.19 -4.75 -0.29 0.00 0.00 0.00 0.00 53.44 48.21 1xn8 n ALA 115 Cb 0.53 -1.75 -0.15 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.51 2.86 0.20 0.00 -1.08 -1.26 -5.14 116.67 110.74 1xn8 s ASP 116 Ca 0.33 -0.47 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 1xn8 s ASP 116 Cb 0.05 -0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.21 1xn8 s ASP 116 CO 0.01 0.28 0.00 -0.81 0.52 0.00 0.00 175.17 175.17 1xn8 n PRO 117 N 2.28 0.70 -0.71 4.34 -0.04 -1.26 -4.91 135.00 135.41 1xn8 n PRO 117 Ca -0.16 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 1xn8 n PRO 117 Cb 0.52 0.00 0.17 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 -0.60 3.69 0.27 3.54 2.03 -1.26 -4.16 116.55 120.06 1xn8 n ASP 118 Ca 0.00 -2.87 0.16 0.00 0.52 0.00 0.00 54.79 52.60 1xn8 n ASP 118 Cb 0.00 -0.68 0.65 0.00 -0.72 0.00 0.00 41.12 40.37 1xn8 n ASP 118 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1xn8 h LEU 119 N 1.58 0.00 -9.65 -2.67 8.10 -1.91 -3.38 115.31 107.38 1xn8 h LEU 119 Ca 0.26 0.00 -0.61 0.00 0.11 0.00 0.00 57.88 57.64 1xn8 h LEU 119 Cb 1.92 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 42.05 1xn8 h LEU 119 CO 0.56 0.05 -0.60 -0.70 -4.11 0.00 0.00 178.44 173.64 1xn8 s GLU 120 N -3.69 2.80 0.00 0.17 -6.30 -1.26 -4.52 118.70 105.90 1xn8 s GLU 120 Ca 0.01 -0.82 0.00 0.00 -2.50 0.00 0.00 54.97 51.65 1xn8 s GLU 120 Cb 0.09 -2.63 0.00 0.00 0.00 0.00 0.00 34.13 31.59 1xn8 s GLU 120 CO 0.56 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.77 1xn8 n GLY 121 N 0.08 1.88 3.58 -1.50 0.00 -1.26 -4.94 105.19 103.03 1xn8 n GLY 121 Ca -0.09 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.35 3.40 0.00 -0.61 1.01 -1.26 -4.45 121.20 118.94 1xn8 s ILE 122 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1xn8 s ILE 122 Cb 0.00 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1xn8 s ILE 122 CO 0.00 0.10 0.00 1.21 0.00 0.00 0.00 174.94 176.25 1xn8 n GLU 123 N 0.66 -0.08 -0.10 2.79 2.13 -1.26 -4.80 120.64 119.97 1xn8 n GLU 123 Ca -0.13 0.02 -0.14 0.00 0.66 0.00 0.00 57.16 57.57 1xn8 n GLU 123 Cb 0.52 -3.04 -0.05 0.00 0.27 0.00 0.00 31.44 29.14 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 0.82 -0.06 4.31 0.00 -1.26 -3.50 120.51 121.82 1xn8 n ALA 124 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 53.44 52.65 1xn8 n ALA 124 Cb 0.02 -0.04 0.12 0.00 0.00 0.00 0.00 19.45 19.55 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 0.69 0.07 0.00 3.64 -1.88 -2.87 116.57 115.23 1xn8 h LYS 125 Ca -0.20 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1xn8 h LYS 125 Cb 1.05 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1xn8 h LYS 125 CO -0.12 0.87 -0.04 0.28 -2.27 0.00 0.00 179.45 178.17 1xn8 h VAL 126 N 0.60 0.96 -1.01 2.00 2.07 -1.93 0.36 116.25 119.30 1xn8 h VAL 126 Ca 0.08 -0.11 0.23 0.00 0.82 0.00 0.00 66.70 67.72 1xn8 h VAL 126 Cb 0.74 1.03 -0.11 0.00 -1.52 0.00 0.00 31.29 31.43 1xn8 h VAL 126 CO 0.06 0.03 0.62 0.03 0.02 0.00 0.00 177.57 178.33 1xn8 h ARG 127 N -0.15 0.57 0.18 1.57 2.47 -1.56 0.58 114.38 118.04 1xn8 h ARG 127 Ca -0.01 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1xn8 h ARG 127 Cb 0.12 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1xn8 h ARG 127 CO 0.02 0.38 -0.09 0.52 0.56 0.00 0.00 179.97 181.36 1xn8 h MET 128 N 0.59 -0.23 -0.46 0.04 2.86 -1.18 -3.14 114.93 113.41 1xn8 h MET 128 Ca 0.60 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 58.38 1xn8 h MET 128 Cb 1.17 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 1xn8 h MET 128 CO -0.37 -0.16 0.62 -0.09 1.06 0.00 0.00 176.91 177.97 1xn8 h ARG 129 N -0.83 0.00 -2.24 1.72 1.12 0.10 -1.36 114.38 112.89 1xn8 h ARG 129 Ca -0.02 0.00 -0.60 0.00 -1.11 0.00 0.00 59.98 58.25 1xn8 h ARG 129 Cb 0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 29.97 29.73 1xn8 h ARG 129 CO 0.04 0.00 -0.58 0.43 -3.11 0.00 0.00 179.97 176.75 1xn8 n SER 130 N -3.41 4.12 0.00 -3.80 7.64 0.20 -5.06 113.62 113.30 1xn8 n SER 130 Ca 0.09 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.42 1xn8 n SER 130 Cb 0.80 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03