#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn8 n LEU 2 N 0.00 0.00 0.00 -0.89 7.94 -1.26 -5.08 117.00 117.71 1xn8 n LEU 2 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1xn8 n LEU 2 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1xn8 n LEU 2 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.17 1xn8 n LEU 3 N -0.40 0.00 -4.86 -1.96 -0.00 -1.26 -5.14 117.00 103.38 1xn8 n LEU 3 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 1xn8 n LEU 3 Cb 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 43.64 1xn8 n LEU 3 CO 0.00 0.00 0.84 0.27 -0.00 0.00 0.00 177.39 178.50 1xn8 s ILE 4 N 0.00 1.89 0.21 1.96 -4.36 -1.26 -5.10 121.20 114.54 1xn8 s ILE 4 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 60.65 60.44 1xn8 s ILE 4 Cb 0.00 -2.89 -0.05 0.00 1.25 0.00 0.00 42.46 40.77 1xn8 s ILE 4 CO 0.00 0.00 -0.06 0.42 0.24 0.00 0.00 174.94 175.54 1xn8 s THR 5 N -3.76 1.26 0.06 8.37 -4.23 -1.26 -5.01 115.64 111.07 1xn8 s THR 5 Ca 0.76 -2.08 0.17 0.00 -1.18 0.00 0.00 61.69 59.36 1xn8 s THR 5 Cb -0.03 -2.18 0.10 0.00 1.34 0.00 0.00 72.50 71.73 1xn8 s THR 5 CO 0.54 -0.47 1.62 1.55 -0.54 0.00 0.00 174.62 177.32 1xn8 h PRO 6 N 2.54 0.00 -0.03 3.99 0.13 -1.88 -2.83 132.00 133.91 1xn8 h PRO 6 Ca -0.38 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.64 1xn8 h PRO 6 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1xn8 h PRO 6 CO 0.64 0.44 -0.48 0.38 -0.23 0.00 0.00 178.00 178.75 1xn8 h ASP 7 N 0.00 0.09 -0.01 1.44 3.04 -1.96 -2.89 116.42 116.13 1xn8 h ASP 7 Ca -0.00 -0.04 -0.25 0.00 -3.24 0.00 0.00 57.03 53.50 1xn8 h ASP 7 Cb 1.09 -0.02 0.01 0.00 -1.04 0.00 0.00 39.33 39.37 1xn8 h ASP 7 CO 0.06 0.55 -0.93 -0.33 -2.04 0.00 0.00 179.24 176.55 1xn8 h GLU 8 N 0.07 0.70 -0.46 4.15 5.08 -1.94 -2.11 114.58 120.07 1xn8 h GLU 8 Ca 0.00 -0.68 0.08 0.00 -1.00 0.00 0.00 59.36 57.77 1xn8 h GLU 8 Cb 0.87 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 1xn8 h GLU 8 CO 0.07 1.27 0.02 1.25 -1.00 0.00 0.00 179.01 180.62 1xn8 h LEU 9 N 0.43 -0.14 -1.04 1.33 5.85 -1.31 0.24 115.31 120.67 1xn8 h LEU 9 Ca -0.09 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1xn8 h LEU 9 Cb 1.57 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1xn8 h LEU 9 CO 0.18 -0.04 -0.47 0.07 -0.34 0.00 0.00 178.44 177.85 1xn8 h LYS 10 N 0.14 0.00 0.00 1.25 5.09 -1.54 0.43 116.57 121.94 1xn8 h LYS 10 Ca 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.94 1xn8 h LYS 10 Cb 0.33 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.65 1xn8 h LYS 10 CO -0.36 0.47 -0.13 1.03 -2.09 0.00 0.00 179.45 178.37 1xn8 h SER 11 N 0.00 0.00 0.02 7.07 0.87 0.11 -3.12 113.55 118.49 1xn8 h SER 11 Ca -0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.16 1xn8 h SER 11 Cb 0.86 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.76 1xn8 h SER 11 CO 0.06 0.13 -2.29 0.00 -0.53 0.00 0.00 176.83 174.20 1xn8 n TYR 12 N -4.27 0.32 -2.52 2.24 9.36 -0.12 -4.93 117.16 117.23 1xn8 n TYR 12 Ca -0.03 0.09 -0.41 0.00 3.32 0.00 0.00 57.90 60.88 1xn8 n TYR 12 Cb 0.20 -1.04 -0.04 0.00 -0.63 0.00 0.00 39.34 37.83 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 -6.95 7.30 -0.28 2.98 1.04 0.15 -4.93 113.70 113.00 1xn8 s SER 13 Ca -0.34 2.14 0.11 0.00 0.48 0.00 0.00 55.95 58.35 1xn8 s SER 13 Cb 0.10 -2.61 0.62 0.00 0.10 0.00 0.00 66.02 64.23 1xn8 s SER 13 CO 0.59 -0.16 1.62 1.33 0.98 0.00 0.00 173.24 177.60 1xn8 n VAL 14 N 1.90 2.68 -3.52 5.02 0.24 -1.26 -4.64 118.33 118.74 1xn8 n VAL 14 Ca 0.01 -1.99 -0.37 0.00 -2.04 0.00 0.00 64.34 59.95 1xn8 n VAL 14 Cb 0.46 -0.33 -0.07 0.00 -1.47 0.00 0.00 33.84 32.43 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 -3.03 3.45 0.36 6.34 0.08 -1.26 -4.96 117.98 118.95 1xn8 s PHE 15 Ca 0.49 0.59 0.09 0.00 0.12 0.00 0.00 56.93 58.22 1xn8 s PHE 15 Cb 0.41 -2.36 0.69 0.00 -0.57 0.00 0.00 43.02 41.18 1xn8 s PHE 15 CO 0.09 0.20 1.84 1.49 -0.10 0.00 0.00 175.22 178.74 1xn8 h GLU 16 N 6.79 0.19 -0.68 0.44 4.81 -1.99 -2.21 114.58 121.94 1xn8 h GLU 16 Ca -0.40 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1xn8 h GLU 16 Cb 1.16 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1xn8 h GLU 16 CO 0.75 0.44 0.45 1.03 -0.73 0.00 0.00 179.01 180.94 1xn8 h SER 17 N 0.18 0.67 -0.03 1.04 0.87 -1.93 0.39 113.55 114.73 1xn8 h SER 17 Ca 0.03 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 1xn8 h SER 17 Cb 0.54 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1xn8 h SER 17 CO 0.04 0.45 -0.54 0.58 -0.53 0.00 0.00 176.83 176.83 1xn8 h VAL 18 N 0.77 1.42 0.35 2.23 2.07 -1.62 -2.84 116.25 118.63 1xn8 h VAL 18 Ca 0.28 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 1xn8 h VAL 18 Cb 0.14 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1xn8 h VAL 18 CO -0.08 0.58 -0.29 0.11 0.02 0.00 0.00 177.57 177.91 1xn8 h LYS 19 N -0.09 -0.62 -0.38 1.57 6.56 -0.83 -2.91 116.57 119.87 1xn8 h LYS 19 Ca -0.06 0.04 0.06 0.00 -1.06 0.00 0.00 60.65 59.63 1xn8 h LYS 19 Cb 1.23 0.14 -0.08 0.00 -0.57 0.00 0.00 32.23 32.95 1xn8 h LYS 19 CO 0.11 -0.42 -0.48 1.79 -2.06 0.00 0.00 179.45 178.39 1xn8 h THR 20 N -0.65 0.06 -1.31 -0.16 1.35 -0.35 -3.42 112.91 108.44 1xn8 h THR 20 Ca -0.03 0.00 -0.61 0.00 -0.55 0.00 0.00 66.41 65.22 1xn8 h THR 20 Cb 0.57 0.06 0.13 0.00 -1.73 0.00 0.00 68.15 67.18 1xn8 h THR 20 CO -0.02 0.00 -0.73 -1.14 -0.25 0.00 0.00 175.52 173.38 1xn8 n ARG 21 N -5.41 0.00 -1.56 4.72 0.63 -1.07 -4.90 116.66 109.07 1xn8 n ARG 21 Ca -0.02 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.61 1xn8 n ARG 21 Cb 0.35 -0.95 0.08 0.00 0.45 0.00 0.00 32.46 32.39 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 -0.95 2.29 0.16 -0.14 0.04 -1.26 -4.80 135.00 130.34 1xn8 s PRO 22 Ca 0.58 0.71 -0.08 0.00 0.04 0.00 0.00 61.00 62.25 1xn8 s PRO 22 Cb -0.73 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 31.90 1xn8 s PRO 22 CO 0.57 -1.50 1.50 -0.44 0.04 0.00 0.00 177.00 177.17 1xn8 h ASP 23 N -1.00 0.89 0.02 6.66 3.32 -1.93 0.71 116.42 125.10 1xn8 h ASP 23 Ca -0.46 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.17 1xn8 h ASP 23 Cb 1.25 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 1xn8 h ASP 23 CO 0.59 1.18 -0.01 1.05 -1.72 0.00 0.00 179.24 180.32 1xn8 h GLU 24 N 0.68 0.00 0.00 3.56 4.11 -2.00 -1.17 114.58 119.76 1xn8 h GLU 24 Ca 0.05 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.18 1xn8 h GLU 24 Cb 0.98 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 1xn8 h GLU 24 CO 0.09 0.01 -1.68 1.28 0.07 0.00 0.00 179.01 178.79 1xn8 n LEU 25 N -4.15 1.93 -0.32 3.06 4.77 -0.99 -3.59 117.00 117.71 1xn8 n LEU 25 Ca -0.03 0.38 0.19 0.00 -0.03 0.00 0.00 56.01 56.52 1xn8 n LEU 25 Cb 0.10 -0.93 0.38 0.00 -2.33 0.00 0.00 43.42 40.64 1xn8 n LEU 25 CO 0.31 0.39 0.99 -0.07 -1.33 0.00 0.00 177.39 177.67 1xn8 h LEU 26 N -0.95 0.11 -0.31 2.23 3.38 0.67 1.13 115.31 121.58 1xn8 h LEU 26 Ca -0.46 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1xn8 h LEU 26 Cb 1.43 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 1xn8 h LEU 26 CO -0.26 -0.22 0.05 0.07 0.09 0.00 0.00 178.44 178.16 1xn8 h LYS 27 N 0.18 0.51 -0.54 1.13 2.10 -1.39 -0.35 116.57 118.20 1xn8 h LYS 27 Ca 0.65 -0.14 0.07 0.00 -2.00 0.00 0.00 60.65 59.24 1xn8 h LYS 27 Cb 1.45 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 32.66 1xn8 h LYS 27 CO -0.70 0.60 0.21 1.96 -2.00 0.00 0.00 179.45 179.52 1xn8 h GLN 28 N 0.33 0.39 -0.22 0.07 4.20 0.11 0.75 115.11 120.74 1xn8 h GLN 28 Ca 0.09 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1xn8 h GLN 28 Cb 0.34 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1xn8 h GLN 28 CO 0.01 0.26 -0.17 0.22 -0.67 0.00 0.00 178.83 178.47 1xn8 h ASP 29 N 0.40 0.36 0.07 1.46 1.82 -0.41 0.35 116.42 120.47 1xn8 h ASP 29 Ca 0.26 -0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1xn8 h ASP 29 Cb 0.29 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1xn8 h ASP 29 CO -0.26 0.55 -0.03 0.40 -1.61 0.00 0.00 179.24 178.29 1xn8 h ILE 30 N 0.34 1.19 -0.35 2.25 2.04 0.88 -0.97 117.51 122.89 1xn8 h ILE 30 Ca 0.06 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 64.99 1xn8 h ILE 30 Cb 0.50 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1xn8 h ILE 30 CO 0.03 0.23 0.23 -0.07 0.00 0.00 0.00 178.15 178.58 1xn8 h LEU 31 N -0.53 0.34 -0.84 1.44 3.38 0.62 0.62 115.31 120.34 1xn8 h LEU 31 Ca -0.01 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1xn8 h LEU 31 Cb 0.45 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1xn8 h LEU 31 CO 0.02 0.24 -0.51 -0.08 0.09 0.00 0.00 178.44 178.19 1xn8 h GLU 32 N 0.39 0.16 -0.22 1.13 4.22 -0.74 -0.77 114.58 118.75 1xn8 h GLU 32 Ca 0.14 -0.09 -0.08 0.00 0.08 0.00 0.00 59.36 59.41 1xn8 h GLU 32 Cb 0.07 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1xn8 h GLU 32 CO -0.03 0.64 -0.17 0.00 -2.18 0.00 0.00 179.01 177.27 1xn8 h ALA 33 N 1.35 0.31 0.00 2.92 0.00 0.49 -2.82 119.26 121.50 1xn8 h ALA 33 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1xn8 h ALA 33 Cb 0.95 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1xn8 h ALA 33 CO 0.08 0.22 -0.21 0.00 0.00 0.00 0.00 179.25 179.33 1xn8 h THR 34 N 0.19 0.59 -0.84 0.00 1.03 -1.14 -2.61 112.91 110.14 1xn8 h THR 34 Ca 0.04 -1.01 0.00 0.00 -0.01 0.00 0.00 66.41 65.44 1xn8 h THR 34 Cb 0.69 1.67 -0.04 0.00 -1.07 0.00 0.00 68.15 69.40 1xn8 h THR 34 CO 0.04 0.21 0.54 0.00 -0.01 0.00 0.00 175.52 176.30 1xn8 h ALA 35 N 1.79 1.37 0.00 0.00 0.00 -0.88 0.71 119.26 122.25 1xn8 h ALA 35 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xn8 h ALA 35 Cb 0.65 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xn8 h ALA 35 CO 0.03 0.57 -0.00 0.22 0.00 0.00 0.00 179.25 180.07 1xn8 h ASP 36 N 1.14 -0.00 -0.49 0.00 1.82 -1.41 -2.91 116.42 114.57 1xn8 h ASP 36 Ca 0.30 -0.73 0.08 0.00 -0.39 0.00 0.00 57.03 56.29 1xn8 h ASP 36 Cb -0.10 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 39.88 1xn8 h ASP 36 CO -0.06 0.74 0.34 0.40 -1.61 0.00 0.00 179.24 179.04 1xn8 h ILE 37 N -0.75 0.91 -0.61 2.25 2.04 -1.18 0.35 117.51 120.53 1xn8 h ILE 37 Ca -0.00 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 1xn8 h ILE 37 Cb 0.74 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1xn8 h ILE 37 CO 0.00 0.06 0.15 0.40 0.00 0.00 0.00 178.15 178.76 1xn8 h ILE 38 N 0.32 1.24 0.02 -0.67 2.04 0.47 0.22 117.51 121.15 1xn8 h ILE 38 Ca 0.22 -0.87 -0.20 0.00 1.00 0.00 0.00 64.86 65.01 1xn8 h ILE 38 Cb 0.47 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1xn8 h ILE 38 CO -0.05 0.33 -0.93 -0.07 0.00 0.00 0.00 178.15 177.43 1xn8 h LEU 39 N 0.91 0.19 -0.25 1.44 3.38 -0.48 1.18 115.31 121.67 1xn8 h LEU 39 Ca 0.20 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1xn8 h LEU 39 Cb 0.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1xn8 h LEU 39 CO -0.00 1.02 -0.01 0.11 0.09 0.00 0.00 178.44 179.65 1xn8 h LYS 40 N 0.07 0.45 0.00 1.13 1.57 0.16 -3.01 116.57 116.94 1xn8 h LYS 40 Ca -0.04 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 1xn8 h LYS 40 Cb 1.60 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.85 1xn8 h LYS 40 CO 0.14 0.62 -0.91 -0.39 -0.57 0.00 0.00 179.45 178.34 1xn8 h VAL 41 N 0.22 0.64 0.00 0.50 -1.51 -0.60 -3.42 116.25 112.08 1xn8 h VAL 41 Ca 0.07 -2.02 0.00 0.00 -1.23 0.00 0.00 66.70 63.52 1xn8 h VAL 41 Cb 0.42 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 1xn8 h VAL 41 CO 0.01 0.36 0.00 0.61 -1.23 0.00 0.00 177.57 177.33 1xn8 n GLY 42 N 1.29 0.39 2.93 5.19 0.00 0.38 -2.30 105.19 113.07 1xn8 n GLY 42 Ca -0.03 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 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 1.04 -1.31 1.61 3.76 0.34 -4.96 115.29 113.78 1xn8 s HIS 43 Ca 0.00 -0.36 0.13 0.00 -0.15 0.00 0.00 55.06 54.68 1xn8 s HIS 43 Cb 0.00 -0.86 0.52 0.00 1.11 0.00 0.00 32.58 33.35 1xn8 s HIS 43 CO 0.00 -0.26 1.38 -0.40 -0.85 0.00 0.00 174.74 174.61 1xn8 n ASP 44 N 4.13 3.51 -2.56 1.40 5.68 -1.26 -4.38 116.55 123.06 1xn8 n ASP 44 Ca -0.22 -2.30 0.00 0.00 -0.50 0.00 0.00 54.79 51.77 1xn8 n ASP 44 Cb 0.51 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1xn8 n ASP 44 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1xn8 n PHE 45 N 0.77 0.00 0.03 2.11 3.72 -1.26 -4.95 117.46 117.88 1xn8 n PHE 45 Ca 0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.57 1xn8 n PHE 45 Cb 0.66 -0.78 -0.00 0.00 -0.94 0.00 0.00 39.48 38.41 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 1.53 1.16 -4.25 4.37 2.88 -1.26 -4.98 113.62 113.07 1xn8 n SER 46 Ca 0.00 0.16 -0.60 0.00 -1.33 0.00 0.00 58.87 57.10 1xn8 n SER 46 Cb 0.30 -0.37 -0.09 0.00 -0.75 0.00 0.00 64.21 63.31 1xn8 n SER 46 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1xn8 n ASP 47 N -3.59 0.83 -2.65 -3.46 9.92 -1.26 -4.67 116.55 111.67 1xn8 n ASP 47 Ca -0.02 1.07 -0.19 0.00 -0.53 0.00 0.00 54.79 55.13 1xn8 n ASP 47 Cb 0.08 -0.81 -0.08 0.00 -0.64 0.00 0.00 41.12 39.68 1xn8 n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xn8 n ALA 48 N 3.07 5.53 0.00 2.24 0.00 -1.26 -2.38 120.51 127.71 1xn8 n ALA 48 Ca 0.26 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.69 1xn8 n ALA 48 Cb -0.02 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 16.71 1xn8 n ALA 48 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xn8 n GLU 49 N 3.24 0.00 -1.43 0.00 2.13 -1.26 -4.95 120.64 118.36 1xn8 n GLU 49 Ca 0.46 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.96 1xn8 n GLU 49 Cb 0.45 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.24 1xn8 n GLU 49 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1xn8 n TYR 50 N -0.76 3.10 -3.35 4.31 9.36 -1.00 -4.71 117.16 124.10 1xn8 n TYR 50 Ca 0.00 -2.80 -0.28 0.00 3.32 0.00 0.00 57.90 58.15 1xn8 n TYR 50 Cb 0.00 -1.22 -0.07 0.00 -0.63 0.00 0.00 39.34 37.42 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 -0.90 2.60 -2.54 2.97 5.41 -1.23 -4.79 119.36 120.87 1xn8 n ILE 51 Ca 0.59 -5.30 -0.35 0.00 1.00 0.00 0.00 62.75 58.68 1xn8 n ILE 51 Cb 0.78 -2.02 -0.04 0.00 -0.71 0.00 0.00 39.64 37.65 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 -2.61 4.00 -0.52 0.38 0.04 -1.26 -5.03 135.00 130.00 1xn8 s PRO 52 Ca 0.41 1.45 0.04 0.00 0.04 0.00 0.00 61.00 62.94 1xn8 s PRO 52 Cb 0.16 -2.34 0.17 0.00 0.04 0.00 0.00 34.50 32.53 1xn8 s PRO 52 CO -0.02 -0.28 0.40 -1.17 0.04 0.00 0.00 177.00 175.97 1xn8 s LEU 53 N -3.02 2.63 0.00 -3.56 2.96 -1.26 -5.06 118.68 111.37 1xn8 s LEU 53 Ca 0.62 -3.35 -0.02 0.00 -0.22 0.00 0.00 54.13 51.16 1xn8 s LEU 53 Cb -0.20 -0.87 0.04 0.00 0.50 0.00 0.00 46.19 45.66 1xn8 s LEU 53 CO 0.24 -0.14 0.16 -0.81 -1.32 0.00 0.00 176.35 174.48 1xn8 n PRO 54 N 2.53 -0.73 0.07 0.98 -0.04 -1.26 -4.86 135.00 131.70 1xn8 n PRO 54 Ca 0.26 -0.25 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1xn8 n PRO 54 Cb 0.43 -0.20 -0.09 0.00 -0.04 0.00 0.00 33.50 33.60 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 0.05 0.33 0.54 4.81 -1.98 -2.76 114.58 115.58 1xn8 h GLU 55 Ca -0.06 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1xn8 h GLU 55 Cb 0.16 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1xn8 h GLU 55 CO 0.04 1.00 -0.16 1.79 -0.73 0.00 0.00 179.01 180.95 1xn8 h THR 56 N 0.02 0.68 0.23 0.32 1.35 -1.94 0.46 112.91 114.04 1xn8 h THR 56 Ca -0.03 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 1xn8 h THR 56 Cb 1.73 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1xn8 h THR 56 CO 0.14 0.03 -0.11 0.58 -0.25 0.00 0.00 175.52 175.90 1xn8 h VAL 57 N -0.51 0.79 -0.85 6.82 2.07 -1.73 0.54 116.25 123.37 1xn8 h VAL 57 Ca -0.05 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.52 1xn8 h VAL 57 Cb 0.39 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1xn8 h VAL 57 CO 0.08 0.02 0.47 0.03 0.02 0.00 0.00 177.57 178.18 1xn8 h ARG 58 N -0.35 0.70 -0.39 1.57 3.08 -1.42 1.27 114.38 118.82 1xn8 h ARG 58 Ca -0.03 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1xn8 h ARG 58 Cb 0.27 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1xn8 h ARG 58 CO 0.05 0.46 -0.15 1.25 -1.07 0.00 0.00 179.97 180.52 1xn8 h LEU 59 N 0.72 0.81 -0.59 3.04 5.85 0.38 0.81 115.31 126.32 1xn8 h LEU 59 Ca 0.44 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1xn8 h LEU 59 Cb 0.53 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1xn8 h LEU 59 CO -0.31 1.02 0.12 0.00 -0.34 0.00 0.00 178.44 178.93 1xn8 h ALA 60 N 0.82 0.79 -0.20 1.25 0.00 0.19 0.11 119.26 122.22 1xn8 h ALA 60 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1xn8 h ALA 60 Cb 0.69 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xn8 h ALA 60 CO 0.05 0.52 -0.25 1.25 0.00 0.00 0.00 179.25 180.81 1xn8 h LEU 61 N 0.87 0.57 -0.63 0.00 6.46 0.17 0.75 115.31 123.51 1xn8 h LEU 61 Ca 0.18 -0.50 0.05 0.00 -0.12 0.00 0.00 57.88 57.50 1xn8 h LEU 61 Cb 0.39 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 1xn8 h LEU 61 CO 0.01 0.96 0.34 -0.07 -0.62 0.00 0.00 178.44 179.05 1xn8 h LEU 62 N 0.20 0.51 -0.04 2.25 3.38 0.85 1.51 115.31 123.95 1xn8 h LEU 62 Ca 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xn8 h LEU 62 Cb 0.82 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1xn8 h LEU 62 CO 0.06 0.33 -0.00 0.11 0.09 0.00 0.00 178.44 179.03 1xn8 h LYS 63 N 0.64 0.08 -0.22 1.13 1.57 -0.70 0.34 116.57 119.41 1xn8 h LYS 63 Ca 0.28 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1xn8 h LYS 63 Cb 0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1xn8 h LYS 63 CO -0.18 0.37 0.09 -0.07 -0.57 0.00 0.00 179.45 179.10 1xn8 h LEU 64 N -0.22 0.13 -0.51 2.94 3.38 -0.22 0.87 115.31 121.67 1xn8 h LEU 64 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xn8 h LEU 64 Cb 0.33 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1xn8 h LEU 64 CO 0.00 0.11 0.33 0.28 0.09 0.00 0.00 178.44 179.25 1xn8 h SER 65 N 0.21 0.59 -0.63 -0.43 0.02 0.22 -0.40 113.55 113.13 1xn8 h SER 65 Ca 0.09 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1xn8 h SER 65 Cb 0.04 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1xn8 h SER 65 CO -0.07 0.44 0.10 -0.61 -1.14 0.00 0.00 176.83 175.55 1xn8 h GLN 66 N 0.69 1.06 0.60 3.45 4.15 0.24 0.52 115.11 125.83 1xn8 h GLN 66 Ca 0.19 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 1xn8 h GLN 66 Cb -0.06 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.50 1xn8 h GLN 66 CO -0.04 0.98 -0.30 0.35 -1.93 0.00 0.00 178.83 177.89 1xn8 h PHE 67 N 1.00 -0.77 -0.08 3.99 3.57 0.13 0.82 116.94 125.59 1xn8 h PHE 67 Ca 0.20 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1xn8 h PHE 67 Cb 0.43 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1xn8 h PHE 67 CO 0.03 -0.48 -0.01 1.88 -2.23 0.00 0.00 178.31 177.50 1xn8 h TYR 68 N -0.82 0.18 -0.45 0.41 0.05 -1.04 -1.56 116.97 113.74 1xn8 h TYR 68 Ca -0.08 -0.04 0.13 0.00 0.05 0.00 0.00 58.73 58.79 1xn8 h TYR 68 Cb 0.63 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 1xn8 h TYR 68 CO -0.04 0.46 0.39 0.00 -1.05 0.00 0.00 178.16 177.92 1xn8 h ALA 69 N 0.69 2.27 0.00 3.88 0.00 0.06 0.89 119.26 127.05 1xn8 h ALA 69 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xn8 h ALA 69 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xn8 h ALA 69 CO 0.01 -0.62 -0.16 1.25 0.00 0.00 0.00 179.25 179.72 1xn8 h LEU 70 N 0.00 0.14 -3.18 0.00 5.85 -0.42 -2.42 115.31 115.27 1xn8 h LEU 70 Ca 0.21 -0.80 -0.28 0.00 0.84 0.00 0.00 57.88 57.85 1xn8 h LEU 70 Cb 0.99 -0.04 -0.17 0.00 0.37 0.00 0.00 40.66 41.81 1xn8 h LEU 70 CO -0.00 0.92 0.36 2.30 -0.34 0.00 0.00 178.44 181.68 1xn8 n ILE 71 N -4.57 2.32 0.00 4.05 -5.35 0.11 -3.08 119.36 112.84 1xn8 n ILE 71 Ca -0.10 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.20 1xn8 n ILE 71 Cb 0.47 -0.61 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 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 -0.41 1.90 0.12 7.28 4.13 0.29 -4.80 115.26 123.77 1xn8 n ASN 72 Ca 0.35 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.42 1xn8 n ASN 72 Cb 1.19 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 39.29 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 0.43 -7.06 7.41 0.00 -1.54 -3.44 103.07 98.87 1xn8 h GLY 73 Ca 0.00 -1.11 -0.64 0.00 0.00 0.00 0.00 47.33 45.58 1xn8 h GLY 73 CO 0.00 0.97 1.47 1.34 0.00 0.00 0.00 176.54 180.33 1xn8 n ASP 74 N -3.60 1.77 -2.76 0.19 -0.08 -1.18 -4.77 116.55 106.13 1xn8 n ASP 74 Ca -0.13 0.31 -0.28 0.00 -1.51 0.00 0.00 54.79 53.18 1xn8 n ASP 74 Cb 1.06 -1.22 -0.07 0.00 2.34 0.00 0.00 41.12 43.23 1xn8 n ASP 74 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1xn8 n GLU 75 N 8.25 3.08 0.04 -0.67 1.02 -1.26 -3.65 120.64 127.44 1xn8 n GLU 75 Ca 0.45 -2.12 0.00 0.00 -0.02 0.00 0.00 57.16 55.48 1xn8 n GLU 75 Cb 0.21 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.25 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1xn8 n SER 76 N 2.28 -0.61 -4.62 1.62 7.64 -1.26 -5.11 113.62 113.56 1xn8 n SER 76 Ca 0.58 0.15 -0.49 0.00 1.01 0.00 0.00 58.87 60.13 1xn8 n SER 76 Cb 0.52 0.89 -0.04 0.00 -1.01 0.00 0.00 64.21 64.56 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 -2.68 0.45 -3.49 0.44 5.41 -1.24 -4.92 119.36 113.33 1xn8 n ILE 77 Ca 0.00 -0.11 -0.42 0.00 1.00 0.00 0.00 62.75 63.21 1xn8 n ILE 77 Cb 0.00 -1.08 -0.10 0.00 -0.71 0.00 0.00 39.64 37.74 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 0.25 5.13 0.00 1.39 1.09 -1.26 -4.96 121.20 122.84 1xn8 s ILE 78 Ca 0.77 -0.67 0.00 0.00 -1.10 0.00 0.00 60.65 59.65 1xn8 s ILE 78 Cb -0.81 -3.84 0.00 0.00 -1.06 0.00 0.00 42.46 36.74 1xn8 s ILE 78 CO 0.47 -0.27 0.00 2.29 -0.10 0.00 0.00 174.94 177.33 1xn8 n LYS 79 N 5.13 0.92 -2.20 2.79 2.85 -1.26 -3.45 118.16 122.94 1xn8 n LYS 79 Ca -0.11 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.84 1xn8 n LYS 79 Cb 0.47 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.81 1xn8 n LYS 79 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1xn8 s GLY 80 N -2.08 0.50 0.42 2.58 0.00 -1.26 -4.79 107.32 102.70 1xn8 s GLY 80 Ca 0.00 -1.78 0.36 0.00 0.00 0.00 0.00 44.72 43.29 1xn8 s GLY 80 CO 0.00 3.26 1.30 2.98 0.00 0.00 0.00 173.10 180.64 1xn8 n TYR 81 N 12.51 0.26 -1.55 1.90 9.36 -1.26 -4.44 117.16 133.94 1xn8 n TYR 81 Ca 0.39 0.26 -0.62 0.00 3.32 0.00 0.00 57.90 61.25 1xn8 n TYR 81 Cb 0.48 -0.68 -0.10 0.00 -0.63 0.00 0.00 39.34 38.41 1xn8 n TYR 81 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1xn8 n THR 82 N -3.94 0.07 -0.84 2.97 -2.24 -1.26 -4.84 114.28 104.20 1xn8 n THR 82 Ca 0.36 -0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.75 1xn8 n THR 82 Cb 1.52 -0.74 0.10 0.00 -2.10 0.00 0.00 70.33 69.12 1xn8 n THR 82 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xn8 n THR 83 N 5.21 0.00 -0.92 4.28 -1.04 -1.26 -4.76 114.28 115.79 1xn8 n THR 83 Ca 0.39 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1xn8 n THR 83 Cb 0.01 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1xn8 n THR 83 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1xn8 n GLU 84 N 0.19 -2.45 -0.83 -2.82 4.07 -1.26 -4.89 120.64 112.65 1xn8 n GLU 84 Ca -0.00 1.89 -0.34 0.00 -0.06 0.00 0.00 57.16 58.65 1xn8 n GLU 84 Cb 0.67 -2.33 0.11 0.00 -0.06 0.00 0.00 31.44 29.83 1xn8 n GLU 84 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1xn8 n LYS 85 N -1.97 -0.54 0.00 5.31 5.02 -1.26 -5.02 118.16 119.71 1xn8 n LYS 85 Ca 0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1xn8 n LYS 85 Cb 0.24 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1xn8 n LYS 85 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1xn8 n ILE 86 N -3.57 0.00 0.00 -0.18 5.41 -1.26 -5.10 119.36 114.66 1xn8 n ILE 86 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1xn8 n ILE 86 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.52 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 2.00 0.00 0.00 7.39 0.00 -1.26 -5.17 105.19 108.14 1xn8 n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xn8 n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xn8 n ASP 88 N 0.00 0.04 -4.66 1.61 2.03 -1.26 -5.05 116.55 109.26 1xn8 n ASP 88 Ca 0.00 -0.56 -0.42 0.00 0.52 0.00 0.00 54.79 54.33 1xn8 n ASP 88 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1xn8 n ASP 88 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1xn8 s TYR 89 N -1.53 1.30 -0.61 -0.67 5.04 -1.26 -4.79 117.35 114.83 1xn8 s TYR 89 Ca 0.00 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.24 1xn8 s TYR 89 Cb 0.00 -4.22 0.00 0.00 0.35 0.00 0.00 41.96 38.09 1xn8 s TYR 89 CO 0.00 -5.44 0.00 0.45 -1.34 0.00 0.00 175.55 169.22 1xn8 n SER 90 N 7.74 0.00 -3.91 4.32 2.88 -1.26 -4.90 113.62 118.49 1xn8 n SER 90 Ca 0.20 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.40 1xn8 n SER 90 Cb 0.41 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.88 1xn8 n SER 90 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1xn8 n TYR 91 N 1.10 -1.64 -2.57 0.66 4.01 -1.22 -4.44 117.16 113.06 1xn8 n TYR 91 Ca 0.00 0.44 -0.42 0.00 -0.16 0.00 0.00 57.90 57.76 1xn8 n TYR 91 Cb 0.00 -2.64 -0.03 0.00 -0.31 0.00 0.00 39.34 36.37 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 -3.25 4.51 0.55 -0.72 2.01 -1.25 -3.71 115.64 113.78 1xn8 s THR 92 Ca 0.23 1.80 -0.16 0.00 0.31 0.00 0.00 61.69 63.87 1xn8 s THR 92 Cb -0.13 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.17 1xn8 s THR 92 CO 0.90 0.00 1.02 -0.76 -0.69 0.00 0.00 174.62 175.09 1xn8 s LEU 93 N 2.12 3.55 0.38 4.42 1.43 0.17 -4.36 118.68 126.38 1xn8 s LEU 93 Ca 0.52 1.67 0.24 0.00 -1.03 0.00 0.00 54.13 55.53 1xn8 s LEU 93 Cb -0.22 -4.52 1.31 0.00 0.03 0.00 0.00 46.19 42.80 1xn8 s LEU 93 CO 0.20 -0.85 1.73 1.23 0.23 0.00 0.00 176.35 178.89 1xn8 h GLY 94 N 0.65 0.00 -2.28 -3.19 0.00 -1.95 0.34 103.07 96.64 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 0.60 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.36 1xn8 n ASP 95 N -2.36 3.41 -0.37 0.19 9.92 -1.26 -4.84 116.55 121.24 1xn8 n ASP 95 Ca -0.02 -2.44 -0.05 0.00 -0.53 0.00 0.00 54.79 51.76 1xn8 n ASP 95 Cb 0.08 -0.55 -0.02 0.00 -0.64 0.00 0.00 41.12 39.98 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 0.47 0.59 3.87 0.44 0.00 0.12 -4.97 105.19 105.71 1xn8 n GLY 96 Ca 0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.27 6.46 -0.64 1.61 0.01 -1.19 -4.82 113.70 112.86 1xn8 s SER 97 Ca 0.00 1.25 0.06 0.00 1.31 0.00 0.00 55.95 58.57 1xn8 s SER 97 Cb 0.00 -2.38 0.24 0.00 0.21 0.00 0.00 66.02 64.09 1xn8 s SER 97 CO 0.00 -0.54 0.69 -1.54 0.41 0.00 0.00 173.24 172.26 1xn8 n SER 98 N -1.73 3.46 -4.46 2.44 3.41 -1.26 0.41 113.62 115.89 1xn8 n SER 98 Ca 0.04 -3.37 -0.44 0.00 -0.26 0.00 0.00 58.87 54.84 1xn8 n SER 98 Cb 0.54 -0.68 -0.12 0.00 -0.26 0.00 0.00 64.21 63.69 1xn8 n SER 98 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xn8 n LEU 99 N 1.07 0.91 -4.91 1.04 7.94 -1.24 -4.88 117.00 116.93 1xn8 n LEU 99 Ca 0.28 0.16 -0.20 0.00 -1.11 0.00 0.00 56.01 55.13 1xn8 n LEU 99 Cb 0.41 -1.07 -0.02 0.00 0.53 0.00 0.00 43.42 43.26 1xn8 n LEU 99 CO 0.37 -0.88 -0.04 -1.58 -1.11 0.00 0.00 177.39 174.15 1xn8 s GLN 100 N 8.12 2.97 0.42 1.96 2.00 -1.26 -4.81 119.66 129.06 1xn8 s GLN 100 Ca 1.24 -1.10 -0.21 0.00 -2.00 0.00 0.00 55.36 53.28 1xn8 s GLN 100 Cb -1.07 -2.65 -0.14 0.00 0.80 0.00 0.00 33.01 29.95 1xn8 s GLN 100 CO 0.48 0.17 0.26 1.63 -0.50 0.00 0.00 175.29 177.32 1xn8 n LYS 101 N -1.44 0.21 -1.53 1.67 5.02 -1.26 -4.93 118.16 115.90 1xn8 n LYS 101 Ca -0.03 0.08 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 1xn8 n LYS 101 Cb 0.59 -1.20 0.18 0.00 -0.02 0.00 0.00 35.03 34.58 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 -1.24 0.38 -0.77 1.97 0.04 -1.26 -4.98 135.00 129.14 1xn8 s PRO 102 Ca 0.61 0.00 0.01 0.00 0.04 0.00 0.00 61.00 61.66 1xn8 s PRO 102 Cb -0.62 -1.78 0.36 0.00 0.04 0.00 0.00 34.50 32.50 1xn8 s PRO 102 CO 0.61 -2.66 1.65 -3.47 0.04 0.00 0.00 177.00 173.17 1xn8 n ASP 103 N -4.03 6.50 -0.77 6.66 -0.08 -1.26 -4.60 116.55 118.98 1xn8 n ASP 103 Ca 0.11 -3.76 0.10 0.00 -1.51 0.00 0.00 54.79 49.73 1xn8 n ASP 103 Cb 0.59 -0.90 0.30 0.00 2.34 0.00 0.00 41.12 43.45 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 -0.37 0.35 -0.20 5.18 0.24 -1.26 -4.19 118.33 118.08 1xn8 n VAL 104 Ca 0.46 -0.50 0.14 0.00 -2.04 0.00 0.00 64.34 62.40 1xn8 n VAL 104 Cb 0.35 0.54 0.46 0.00 -1.47 0.00 0.00 33.84 33.72 1xn8 n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1xn8 h TYR 105 N 2.94 0.60 0.00 6.34 3.20 -1.98 0.50 116.97 128.56 1xn8 h TYR 105 Ca 0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1xn8 h TYR 105 Cb 0.65 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1xn8 h TYR 105 CO 0.18 0.23 -0.43 0.00 -1.64 0.00 0.00 178.16 176.49 1xn8 h ALA 106 N 1.63 1.09 0.00 1.82 0.00 -1.97 1.40 119.26 123.23 1xn8 h ALA 106 Ca 0.39 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1xn8 h ALA 106 Cb 0.78 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1xn8 h ALA 106 CO -0.14 0.54 -0.33 -0.07 0.00 0.00 0.00 179.25 179.25 1xn8 h LEU 107 N 0.00 0.00 0.00 0.00 3.38 -0.30 -2.79 115.31 115.60 1xn8 h LEU 107 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xn8 h LEU 107 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1xn8 h LEU 107 CO 0.06 0.33 -0.67 2.30 0.09 0.00 0.00 178.44 180.54 1xn8 n ILE 108 N -3.57 0.00 0.19 1.22 -5.35 -0.80 -4.19 119.36 106.86 1xn8 n ILE 108 Ca -0.00 -0.17 0.12 0.00 -0.27 0.00 0.00 62.75 62.42 1xn8 n ILE 108 Cb 0.46 0.99 0.64 0.00 -1.74 0.00 0.00 39.64 39.99 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 0.00 0.05 6.28 1.63 0.22 1.21 116.57 125.96 1xn8 h LYS 109 Ca 0.00 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 1xn8 h LYS 109 Cb 0.33 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1xn8 h LYS 109 CO 0.00 0.00 -0.36 0.22 -3.45 0.00 0.00 179.45 175.86 1xn8 h ASP 110 N 0.00 0.18 0.06 4.20 3.58 -1.75 -3.30 116.42 119.39 1xn8 h ASP 110 Ca 0.00 -0.97 0.00 0.00 0.42 0.00 0.00 57.03 56.48 1xn8 h ASP 110 Cb 0.03 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1xn8 h ASP 110 CO 0.00 1.17 -0.07 -1.22 -2.88 0.00 0.00 179.24 176.23 1xn8 n TYR 111 N -4.41 0.00 -1.80 0.28 4.02 -0.40 -4.88 117.16 109.96 1xn8 n TYR 111 Ca -0.12 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.37 1xn8 n TYR 111 Cb 0.62 -0.04 0.02 0.00 -0.02 0.00 0.00 39.34 39.92 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 -2.15 2.08 -0.92 -0.72 1.01 0.40 -4.67 120.40 115.43 1xn8 s VAL 112 Ca 0.34 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.13 1xn8 s VAL 112 Cb 0.20 -3.04 -0.21 0.00 0.00 0.00 0.00 36.38 33.33 1xn8 s VAL 112 CO 0.39 0.01 2.44 1.17 0.00 0.00 0.00 175.10 179.12 1xn8 n LYS 113 N -0.17 0.00 -1.48 2.72 4.81 -0.97 -4.84 118.16 118.22 1xn8 n LYS 113 Ca 0.05 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.19 1xn8 n LYS 113 Cb 0.42 -1.34 0.23 0.00 0.02 0.00 0.00 35.03 34.35 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 7.58 -2.20 -3.26 1.64 -0.04 -1.26 -5.03 135.00 132.44 1xn8 n PRO 114 Ca 0.61 -1.91 -0.26 0.00 -0.04 0.00 0.00 63.50 61.91 1xn8 n PRO 114 Cb 0.04 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.93 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 -4.35 3.66 -2.98 0.55 0.00 -1.26 -5.05 120.51 111.08 1xn8 n ALA 115 Ca -0.21 -4.35 -0.11 0.00 0.00 0.00 0.00 53.44 48.77 1xn8 n ALA 115 Cb 0.58 -0.85 -0.12 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.40 0.01 0.20 0.00 2.15 -1.26 -5.17 116.67 110.21 1xn8 s ASP 116 Ca 0.41 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.33 1xn8 s ASP 116 Cb 0.20 0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 1xn8 s ASP 116 CO -0.06 -0.14 0.00 -0.81 -0.17 0.00 0.00 175.17 173.99 1xn8 n PRO 117 N 2.48 0.70 -0.93 4.34 -0.04 -1.26 -4.89 135.00 135.40 1xn8 n PRO 117 Ca -0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 1xn8 n PRO 117 Cb 0.58 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.10 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 6.04 0.10 3.54 2.03 -1.26 -4.05 116.55 122.36 1xn8 n ASP 118 Ca 0.00 -3.16 0.10 0.00 0.52 0.00 0.00 54.79 52.25 1xn8 n ASP 118 Cb 0.00 -0.97 -0.00 0.00 -0.72 0.00 0.00 41.12 39.43 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 2.12 0.00 -9.55 -2.67 8.10 -2.01 -3.46 115.31 107.83 1xn8 h LEU 119 Ca 0.36 0.00 -0.47 0.00 0.11 0.00 0.00 57.88 57.88 1xn8 h LEU 119 Cb 1.14 0.00 0.24 0.00 -0.44 0.00 0.00 40.66 41.60 1xn8 h LEU 119 CO 0.88 0.05 -1.35 -0.62 -4.11 0.00 0.00 178.44 173.29 1xn8 n GLU 120 N -2.71 -1.20 -1.54 0.17 1.02 -1.26 -4.59 120.64 110.53 1xn8 n GLU 120 Ca -0.01 -0.33 -0.21 0.00 -0.02 0.00 0.00 57.16 56.59 1xn8 n GLU 120 Cb 0.58 -1.58 -0.10 0.00 -0.02 0.00 0.00 31.44 30.32 1xn8 n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xn8 n GLY 121 N 2.27 -0.17 3.25 0.62 0.00 -1.26 -4.87 105.19 105.04 1xn8 n GLY 121 Ca 0.01 0.38 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 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 11.41 1.46 0.00 -0.61 1.01 -1.26 -4.68 121.20 128.53 1xn8 s ILE 122 Ca 1.04 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1xn8 s ILE 122 Cb -0.34 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1xn8 s ILE 122 CO 0.23 -0.28 0.00 1.21 0.00 0.00 0.00 174.94 176.10 1xn8 n GLU 123 N 0.77 -0.35 -0.10 2.79 2.13 -1.26 -4.82 120.64 119.80 1xn8 n GLU 123 Ca -0.17 0.09 -0.15 0.00 0.66 0.00 0.00 57.16 57.59 1xn8 n GLU 123 Cb 0.56 -3.47 -0.05 0.00 0.27 0.00 0.00 31.44 28.74 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 0.86 -0.07 4.31 0.00 -1.26 -3.49 120.51 121.87 1xn8 n ALA 124 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 53.44 52.58 1xn8 n ALA 124 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 0.22 0.12 0.00 1.63 -1.87 -2.48 116.57 113.18 1xn8 h LYS 125 Ca -0.22 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.59 1xn8 h LYS 125 Cb 1.09 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.64 1xn8 h LYS 125 CO -0.13 0.14 -0.22 0.28 -3.45 0.00 0.00 179.45 176.07 1xn8 h VAL 126 N 0.22 0.51 -1.45 2.00 2.07 -1.96 0.59 116.25 118.23 1xn8 h VAL 126 Ca 0.12 0.00 0.44 0.00 0.82 0.00 0.00 66.70 68.08 1xn8 h VAL 126 Cb 0.08 0.51 -0.10 0.00 -1.52 0.00 0.00 31.29 30.26 1xn8 h VAL 126 CO -0.11 0.00 0.99 0.03 0.02 0.00 0.00 177.57 178.49 1xn8 h ARG 127 N -0.41 0.07 0.00 1.57 3.08 -1.49 0.43 114.38 117.63 1xn8 h ARG 127 Ca 0.03 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1xn8 h ARG 127 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1xn8 h ARG 127 CO -0.12 0.05 -0.58 0.52 -1.07 0.00 0.00 179.97 178.77 1xn8 h MET 128 N 0.07 0.00 -0.79 0.04 2.86 -0.68 -3.27 114.93 113.17 1xn8 h MET 128 Ca 0.79 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 58.66 1xn8 h MET 128 Cb 2.76 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 34.39 1xn8 h MET 128 CO -0.24 0.45 0.78 -0.09 1.06 0.00 0.00 176.91 178.87 1xn8 h ARG 129 N -1.00 0.00 -2.17 1.72 1.12 0.18 -1.10 114.38 113.13 1xn8 h ARG 129 Ca -0.11 0.00 -0.58 0.00 -1.11 0.00 0.00 59.98 58.18 1xn8 h ARG 129 Cb 0.73 0.00 -0.41 0.00 -0.01 0.00 0.00 29.97 30.28 1xn8 h ARG 129 CO -0.07 0.00 -0.75 0.45 -3.11 0.00 0.00 179.97 176.49 1xn8 n SER 130 N -3.66 3.12 0.00 -3.80 2.88 0.14 -5.06 113.62 107.24 1xn8 n SER 130 Ca 0.17 -3.36 0.00 0.00 -1.33 0.00 0.00 58.87 54.35 1xn8 n SER 130 Cb 1.05 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81