#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 0.00 -1.26 -4.83 117.00 110.02 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 -0.18 -0.36 -0.11 0.00 0.00 0.00 177.39 176.74 1xn8 n LEU 3 N 0.00 1.50 0.00 -1.96 -0.00 -1.26 -5.04 117.00 110.24 1xn8 n LEU 3 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 1xn8 n LEU 3 Cb 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 43.60 1xn8 n LEU 3 CO 0.00 0.21 0.23 2.30 -0.00 0.00 0.00 177.39 180.13 1xn8 n ILE 4 N -2.42 0.00 -4.18 1.96 -5.35 -1.26 -5.07 119.36 103.05 1xn8 n ILE 4 Ca 0.00 -0.03 -0.11 0.00 -0.27 0.00 0.00 62.75 62.34 1xn8 n ILE 4 Cb 0.36 -0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 37.49 1xn8 n ILE 4 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1xn8 s THR 5 N -1.74 0.38 0.06 7.28 -4.23 -1.26 -5.04 115.64 111.08 1xn8 s THR 5 Ca 0.42 -1.93 0.17 0.00 -1.18 0.00 0.00 61.69 59.18 1xn8 s THR 5 Cb -0.07 -1.98 0.10 0.00 1.34 0.00 0.00 72.50 71.89 1xn8 s THR 5 CO 0.35 -0.57 1.63 1.55 -0.54 0.00 0.00 174.62 177.04 1xn8 h PRO 6 N 2.85 0.00 -0.09 3.99 0.13 -1.92 -2.49 132.00 134.47 1xn8 h PRO 6 Ca -0.36 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.64 1xn8 h PRO 6 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1xn8 h PRO 6 CO 0.62 0.43 -0.55 -0.44 -0.23 0.00 0.00 178.00 177.83 1xn8 h ASP 7 N 0.00 0.30 0.09 1.44 5.19 -1.97 -2.67 116.42 118.80 1xn8 h ASP 7 Ca -0.00 -0.16 -0.25 0.00 -0.62 0.00 0.00 57.03 56.00 1xn8 h ASP 7 Cb 1.08 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 40.52 1xn8 h ASP 7 CO 0.06 0.80 -0.96 -0.33 -3.12 0.00 0.00 179.24 175.68 1xn8 h GLU 8 N 0.21 0.62 -0.18 3.56 5.08 -1.94 -0.61 114.58 121.33 1xn8 h GLU 8 Ca 0.00 -0.64 0.04 0.00 -1.00 0.00 0.00 59.36 57.76 1xn8 h GLU 8 Cb 1.04 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1xn8 h GLU 8 CO 0.09 1.24 -0.06 1.25 -1.00 0.00 0.00 179.01 180.53 1xn8 h LEU 9 N 0.37 -0.20 -0.70 1.33 5.85 -1.34 0.67 115.31 121.29 1xn8 h LEU 9 Ca -0.10 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 1xn8 h LEU 9 Cb 1.61 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 1xn8 h LEU 9 CO 0.18 -0.08 -0.49 0.07 -0.34 0.00 0.00 178.44 177.79 1xn8 h LYS 10 N -0.02 0.40 -0.04 1.25 2.10 -1.52 0.82 116.57 119.56 1xn8 h LYS 10 Ca 0.09 -0.23 0.01 0.00 -2.00 0.00 0.00 60.65 58.52 1xn8 h LYS 10 Cb 0.16 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1xn8 h LYS 10 CO -0.20 0.80 0.03 1.03 -2.00 0.00 0.00 179.45 179.12 1xn8 h SER 11 N 0.32 0.00 0.00 7.07 0.87 -0.02 -3.06 113.55 118.73 1xn8 h SER 11 Ca 0.02 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 60.14 1xn8 h SER 11 Cb 0.98 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.87 1xn8 h SER 11 CO 0.08 0.00 -2.49 0.00 -0.53 0.00 0.00 176.83 173.90 1xn8 n TYR 12 N -4.26 0.05 -2.43 2.24 9.36 0.12 -4.91 117.16 117.34 1xn8 n TYR 12 Ca -0.02 0.02 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 1xn8 n TYR 12 Cb 0.13 -1.01 -0.02 0.00 -0.63 0.00 0.00 39.34 37.81 1xn8 n TYR 12 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1xn8 s SER 13 N -7.20 6.97 -0.44 2.98 0.15 0.28 -4.90 113.70 111.54 1xn8 s SER 13 Ca -0.37 1.75 -0.00 0.00 0.70 0.00 0.00 55.95 58.02 1xn8 s SER 13 Cb 0.13 -2.54 0.38 0.00 -1.71 0.00 0.00 66.02 62.28 1xn8 s SER 13 CO 0.53 -0.70 1.92 1.33 1.20 0.00 0.00 173.24 177.51 1xn8 n VAL 14 N 5.11 3.03 -3.74 4.45 0.24 -1.26 -4.57 118.33 121.59 1xn8 n VAL 14 Ca 0.13 -2.02 -0.35 0.00 -2.04 0.00 0.00 64.34 60.06 1xn8 n VAL 14 Cb 0.45 -1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 31.70 1xn8 n VAL 14 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xn8 s PHE 15 N -2.70 3.41 0.29 6.34 0.08 -1.26 -4.98 117.98 119.15 1xn8 s PHE 15 Ca 0.46 0.33 -0.02 0.00 0.12 0.00 0.00 56.93 57.82 1xn8 s PHE 15 Cb 0.37 -2.15 0.42 0.00 -0.57 0.00 0.00 43.02 41.08 1xn8 s PHE 15 CO 0.02 0.30 1.88 1.49 -0.10 0.00 0.00 175.22 178.80 1xn8 h GLU 16 N 6.64 0.92 0.02 0.44 4.81 -1.98 0.20 114.58 125.63 1xn8 h GLU 16 Ca -0.41 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1xn8 h GLU 16 Cb 1.15 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1xn8 h GLU 16 CO 0.76 0.74 -0.01 0.66 -0.73 0.00 0.00 179.01 180.42 1xn8 h SER 17 N 0.91 -0.03 -0.26 1.04 4.64 -1.91 0.36 113.55 118.30 1xn8 h SER 17 Ca 0.22 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1xn8 h SER 17 Cb 0.15 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1xn8 h SER 17 CO -0.02 0.05 -0.05 0.58 -0.87 0.00 0.00 176.83 176.52 1xn8 h VAL 18 N -0.11 1.23 0.43 0.95 2.07 -1.66 0.38 116.25 119.54 1xn8 h VAL 18 Ca -0.00 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1xn8 h VAL 18 Cb 0.10 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1xn8 h VAL 18 CO 0.01 0.33 -0.21 0.11 0.02 0.00 0.00 177.57 177.82 1xn8 h LYS 19 N 0.58 -0.56 -0.41 1.57 6.56 -0.14 -3.07 116.57 121.10 1xn8 h LYS 19 Ca 0.11 0.04 0.04 0.00 -1.06 0.00 0.00 60.65 59.78 1xn8 h LYS 19 Cb 0.44 0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 32.18 1xn8 h LYS 19 CO 0.02 -0.29 0.18 1.79 -2.06 0.00 0.00 179.45 179.08 1xn8 h THR 20 N -0.73 0.92 -0.94 -0.16 1.35 -0.13 -3.43 112.91 109.79 1xn8 h THR 20 Ca -0.06 -0.12 -0.69 0.00 -0.55 0.00 0.00 66.41 64.99 1xn8 h THR 20 Cb 0.52 0.53 0.07 0.00 -1.73 0.00 0.00 68.15 67.55 1xn8 h THR 20 CO 0.10 0.07 -0.19 -1.14 -0.25 0.00 0.00 175.52 174.10 1xn8 n ARG 21 N -4.96 0.00 -1.62 4.72 3.00 0.11 -4.89 116.66 113.01 1xn8 n ARG 21 Ca 0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.56 1xn8 n ARG 21 Cb 0.13 -1.20 0.05 0.00 0.00 0.00 0.00 32.46 31.43 1xn8 n ARG 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xn8 s PRO 22 N -0.42 2.99 0.14 -0.14 0.04 -1.26 -4.83 135.00 131.52 1xn8 s PRO 22 Ca 0.74 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 1xn8 s PRO 22 Cb -1.05 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.48 1xn8 s PRO 22 CO 0.53 -1.06 1.53 -0.44 0.04 0.00 0.00 177.00 177.60 1xn8 h ASP 23 N -0.60 0.94 -0.38 6.66 5.19 -1.95 0.75 116.42 127.03 1xn8 h ASP 23 Ca -0.44 -0.40 0.06 0.00 -0.62 0.00 0.00 57.03 55.63 1xn8 h ASP 23 Cb 1.21 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.44 1xn8 h ASP 23 CO 0.57 1.13 0.26 -0.08 -3.12 0.00 0.00 179.24 178.00 1xn8 h GLU 24 N 0.75 0.25 0.08 3.56 4.81 -2.00 0.21 114.58 122.24 1xn8 h GLU 24 Ca 0.10 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.03 1xn8 h GLU 24 Cb 0.76 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1xn8 h GLU 24 CO 0.06 0.16 -1.51 -0.07 -0.73 0.00 0.00 179.01 176.92 1xn8 h LEU 25 N 0.25 0.27 -0.80 1.64 3.38 -1.85 -3.29 115.31 114.92 1xn8 h LEU 25 Ca 0.17 -0.79 0.15 0.00 0.09 0.00 0.00 57.88 57.50 1xn8 h LEU 25 Cb 0.35 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 1xn8 h LEU 25 CO -0.03 1.64 0.37 -0.07 0.09 0.00 0.00 178.44 180.44 1xn8 h LEU 26 N -0.41 0.40 0.45 1.67 3.38 0.10 0.35 115.31 121.25 1xn8 h LEU 26 Ca -0.35 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1xn8 h LEU 26 Cb 1.69 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 1xn8 h LEU 26 CO -0.01 0.16 -0.40 0.11 0.09 0.00 0.00 178.44 178.38 1xn8 h LYS 27 N 0.53 -0.83 -0.58 1.13 1.57 -0.74 1.23 116.57 118.88 1xn8 h LYS 27 Ca 0.44 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 59.39 1xn8 h LYS 27 Cb 0.66 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 1xn8 h LYS 27 CO -0.39 -0.55 0.39 1.96 -0.57 0.00 0.00 179.45 180.29 1xn8 h GLN 28 N -0.86 0.31 -0.09 3.15 4.20 -1.30 1.52 115.11 122.04 1xn8 h GLN 28 Ca -0.04 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.44 1xn8 h GLN 28 Cb 0.75 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1xn8 h GLN 28 CO -0.04 0.20 -0.80 0.22 -0.67 0.00 0.00 178.83 177.74 1xn8 h ASP 29 N 0.32 0.71 -0.04 1.46 1.82 0.83 -0.72 116.42 120.79 1xn8 h ASP 29 Ca 0.27 -0.48 -0.24 0.00 -0.39 0.00 0.00 57.03 56.18 1xn8 h ASP 29 Cb 0.64 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 40.45 1xn8 h ASP 29 CO -0.07 1.26 -0.92 0.40 -1.61 0.00 0.00 179.24 178.31 1xn8 h ILE 30 N 0.38 1.28 -0.09 2.25 2.04 0.41 -2.23 117.51 121.55 1xn8 h ILE 30 Ca -0.05 -2.13 -0.00 0.00 1.00 0.00 0.00 64.86 63.67 1xn8 h ILE 30 Cb 1.41 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1xn8 h ILE 30 CO 0.15 0.67 0.04 -0.07 0.00 0.00 0.00 178.15 178.94 1xn8 h LEU 31 N 0.45 0.12 -1.33 1.44 3.38 0.20 -0.46 115.31 119.11 1xn8 h LEU 31 Ca -0.09 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1xn8 h LEU 31 Cb 1.56 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.24 1xn8 h LEU 31 CO 0.18 0.22 0.48 -0.08 0.09 0.00 0.00 178.44 179.33 1xn8 h GLU 32 N 0.00 0.84 -0.21 1.13 4.57 -1.16 0.29 114.58 120.04 1xn8 h GLU 32 Ca 0.03 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 1xn8 h GLU 32 Cb 0.14 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1xn8 h GLU 32 CO -0.00 0.56 -0.26 0.00 -1.18 0.00 0.00 179.01 178.13 1xn8 h ALA 33 N 1.58 1.18 0.00 2.92 0.00 -0.91 -2.17 119.26 121.86 1xn8 h ALA 33 Ca 0.29 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1xn8 h ALA 33 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xn8 h ALA 33 CO -0.08 0.53 -0.43 0.00 0.00 0.00 0.00 179.25 179.27 1xn8 h THR 34 N 0.35 1.10 -0.14 0.00 1.03 0.69 -2.57 112.91 113.37 1xn8 h THR 34 Ca 0.05 -1.58 -0.00 0.00 -0.01 0.00 0.00 66.41 64.87 1xn8 h THR 34 Cb 0.64 1.90 -0.01 0.00 -1.07 0.00 0.00 68.15 69.62 1xn8 h THR 34 CO 0.05 0.42 0.09 0.00 -0.01 0.00 0.00 175.52 176.06 1xn8 h ALA 35 N 1.57 0.18 -0.21 0.00 0.00 -0.56 1.43 119.26 121.68 1xn8 h ALA 35 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xn8 h ALA 35 Cb 0.87 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1xn8 h ALA 35 CO 0.06 -0.31 0.09 0.22 0.00 0.00 0.00 179.25 179.31 1xn8 h ASP 36 N 0.16 0.28 -0.83 0.00 3.58 -1.45 0.62 116.42 118.78 1xn8 h ASP 36 Ca 0.05 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.33 1xn8 h ASP 36 Cb 0.02 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 1xn8 h ASP 36 CO -0.01 0.35 0.42 0.40 -2.88 0.00 0.00 179.24 177.52 1xn8 h ILE 37 N 0.19 1.25 -0.48 2.25 2.04 -1.17 0.38 117.51 121.98 1xn8 h ILE 37 Ca 0.07 -0.69 -0.10 0.00 1.00 0.00 0.00 64.86 65.14 1xn8 h ILE 37 Cb 0.15 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1xn8 h ILE 37 CO -0.01 0.30 -0.12 0.40 0.00 0.00 0.00 178.15 178.73 1xn8 h ILE 38 N 1.18 1.26 0.00 -0.67 2.04 0.24 0.25 117.51 121.81 1xn8 h ILE 38 Ca 0.29 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 1xn8 h ILE 38 Cb 0.09 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1xn8 h ILE 38 CO -0.04 0.42 -0.35 -0.07 0.00 0.00 0.00 178.15 178.11 1xn8 h LEU 39 N 0.79 0.00 0.06 1.44 3.38 0.10 1.39 115.31 122.48 1xn8 h LEU 39 Ca 0.13 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1xn8 h LEU 39 Cb 0.63 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1xn8 h LEU 39 CO 0.04 0.35 -0.60 0.11 0.09 0.00 0.00 178.44 178.44 1xn8 h LYS 40 N 0.00 0.30 -0.01 1.13 1.57 0.43 -3.20 116.57 116.78 1xn8 h LYS 40 Ca -0.00 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1xn8 h LYS 40 Cb 0.84 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1xn8 h LYS 40 CO 0.05 1.13 -0.07 1.33 -0.57 0.00 0.00 179.45 181.31 1xn8 n VAL 41 N -4.25 0.00 -4.35 0.50 0.24 0.82 -4.48 118.33 106.81 1xn8 n VAL 41 Ca -0.12 -0.16 -0.38 0.00 -2.04 0.00 0.00 64.34 61.64 1xn8 n VAL 41 Cb 0.70 0.27 -0.06 0.00 -1.47 0.00 0.00 33.84 33.28 1xn8 n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xn8 n GLY 42 N 1.21 -0.37 3.60 7.63 0.00 0.47 -1.72 105.19 116.00 1xn8 n GLY 42 Ca 0.17 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.38 0.16 1.61 -3.43 -0.58 -4.84 115.29 104.37 1xn8 s HIS 43 Ca 0.64 0.73 0.04 0.00 -0.80 0.00 0.00 55.06 55.66 1xn8 s HIS 43 Cb -0.36 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 31.19 1xn8 s HIS 43 CO 0.97 -0.30 0.23 0.16 -2.00 0.00 0.00 174.74 173.80 1xn8 s ASP 44 N -0.76 5.99 -0.62 7.38 -4.77 -1.26 -4.55 116.67 118.09 1xn8 s ASP 44 Ca -0.00 0.04 -0.00 0.00 -3.30 0.00 0.00 52.55 49.29 1xn8 s ASP 44 Cb -0.02 -1.71 0.44 0.00 -1.09 0.00 0.00 42.92 40.54 1xn8 s ASP 44 CO -0.01 0.05 1.85 0.49 0.70 0.00 0.00 175.17 178.25 1xn8 n PHE 45 N -0.51 3.12 -2.88 2.11 3.01 -1.26 -4.74 117.46 116.31 1xn8 n PHE 45 Ca -0.08 -2.79 -0.35 0.00 1.01 0.00 0.00 57.45 55.24 1xn8 n PHE 45 Cb 0.54 -1.16 -0.01 0.00 -0.01 0.00 0.00 39.48 38.84 1xn8 n PHE 45 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1xn8 n SER 46 N -0.81 5.95 -3.80 4.37 7.64 -1.26 -4.32 113.62 121.40 1xn8 n SER 46 Ca 0.57 -3.62 -0.28 0.00 1.01 0.00 0.00 58.87 56.55 1xn8 n SER 46 Cb 0.65 -0.94 -0.16 0.00 -1.01 0.00 0.00 64.21 62.74 1xn8 n SER 46 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xn8 s ASP 47 N -2.20 3.05 0.56 6.43 1.01 -1.26 -4.98 116.67 119.28 1xn8 s ASP 47 Ca 0.41 -0.85 0.29 0.00 0.71 0.00 0.00 52.55 53.11 1xn8 s ASP 47 Cb 0.19 -0.74 1.46 0.00 1.01 0.00 0.00 42.92 44.84 1xn8 s ASP 47 CO -0.08 -0.27 1.91 0.00 0.21 0.00 0.00 175.17 176.93 1xn8 h ALA 48 N 8.17 2.50 -0.91 5.23 0.00 -1.99 1.74 119.26 133.99 1xn8 h ALA 48 Ca -0.17 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.04 1xn8 h ALA 48 Cb 1.11 0.05 -0.26 0.00 0.00 0.00 0.00 17.79 18.69 1xn8 h ALA 48 CO 0.36 -0.86 0.88 -0.85 0.00 0.00 0.00 179.25 178.78 1xn8 n GLU 49 N -4.05 2.62 0.00 0.00 0.28 -1.26 -4.38 120.64 113.85 1xn8 n GLU 49 Ca 0.12 -3.16 0.00 0.00 -0.16 0.00 0.00 57.16 53.97 1xn8 n GLU 49 Cb 0.77 -2.21 0.00 0.00 1.43 0.00 0.00 31.44 31.43 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 -0.45 -0.10 -3.57 -1.84 9.36 0.66 -5.04 117.16 116.18 1xn8 n TYR 50 Ca 0.55 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.65 1xn8 n TYR 50 Cb 0.45 0.02 0.00 0.00 -0.63 0.00 0.00 39.34 39.18 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 -1.68 -0.77 -2.48 2.97 5.41 0.56 -4.75 119.36 118.62 1xn8 n ILE 51 Ca 0.00 -0.12 -0.41 0.00 1.00 0.00 0.00 62.75 63.22 1xn8 n ILE 51 Cb 0.00 -0.67 -0.04 0.00 -0.71 0.00 0.00 39.64 38.23 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 -4.92 4.52 -0.42 0.38 0.04 -1.26 -4.96 135.00 128.38 1xn8 s PRO 52 Ca 0.10 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1xn8 s PRO 52 Cb -0.06 -3.31 0.24 0.00 0.04 0.00 0.00 34.50 31.42 1xn8 s PRO 52 CO 0.27 -0.07 1.01 -0.11 0.04 0.00 0.00 177.00 178.14 1xn8 n LEU 53 N 3.01 -2.26 -4.81 -3.56 7.94 -1.26 -4.83 117.00 111.24 1xn8 n LEU 53 Ca 0.05 -2.46 -0.30 0.00 -1.11 0.00 0.00 56.01 52.19 1xn8 n LEU 53 Cb 0.46 0.70 0.08 0.00 0.53 0.00 0.00 43.42 45.19 1xn8 n LEU 53 CO 0.55 1.75 0.71 -2.16 -1.11 0.00 0.00 177.39 177.13 1xn8 s PRO 54 N 0.55 2.21 0.62 1.96 0.04 -1.26 -4.80 135.00 134.31 1xn8 s PRO 54 Ca 0.29 0.68 0.34 0.00 0.04 0.00 0.00 61.00 62.34 1xn8 s PRO 54 Cb 0.18 -1.93 1.95 0.00 0.04 0.00 0.00 34.50 34.74 1xn8 s PRO 54 CO -0.15 -1.54 2.24 1.49 0.04 0.00 0.00 177.00 179.08 1xn8 h GLU 55 N -1.03 0.00 0.21 4.56 4.81 -1.98 -1.00 114.58 120.14 1xn8 h GLU 55 Ca -0.47 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1xn8 h GLU 55 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1xn8 h GLU 55 CO 0.59 0.00 -0.10 1.79 -0.73 0.00 0.00 179.01 180.56 1xn8 h THR 56 N 0.00 0.86 0.35 0.32 1.35 -1.91 -1.37 112.91 112.51 1xn8 h THR 56 Ca 0.02 -0.75 -0.02 0.00 -0.55 0.00 0.00 66.41 65.11 1xn8 h THR 56 Cb 0.13 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1xn8 h THR 56 CO -0.00 0.16 -0.17 0.58 -0.25 0.00 0.00 175.52 175.84 1xn8 h VAL 57 N -0.68 0.67 -0.91 6.82 2.07 -1.58 0.54 116.25 123.18 1xn8 h VAL 57 Ca -0.03 -0.18 0.23 0.00 0.82 0.00 0.00 66.70 67.53 1xn8 h VAL 57 Cb 0.48 0.77 -0.13 0.00 -1.52 0.00 0.00 31.29 30.89 1xn8 h VAL 57 CO 0.05 0.04 0.40 -0.09 0.02 0.00 0.00 177.57 177.99 1xn8 h ARG 58 N -0.56 0.38 -0.17 1.57 2.43 -1.28 1.46 114.38 118.20 1xn8 h ARG 58 Ca -0.05 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.88 1xn8 h ARG 58 Cb 0.42 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1xn8 h ARG 58 CO 0.08 0.25 -0.74 1.25 -1.51 0.00 0.00 179.97 179.30 1xn8 h LEU 59 N 0.39 0.94 -0.56 3.80 5.85 -0.86 0.42 115.31 125.29 1xn8 h LEU 59 Ca 0.57 -0.60 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1xn8 h LEU 59 Cb 1.10 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1xn8 h LEU 59 CO -0.54 1.40 0.28 0.00 -0.34 0.00 0.00 178.44 179.24 1xn8 h ALA 60 N 0.59 0.72 -0.16 1.25 0.00 0.45 0.49 119.26 122.60 1xn8 h ALA 60 Ca -0.04 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 1xn8 h ALA 60 Cb 1.37 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1xn8 h ALA 60 CO 0.15 0.28 -0.76 1.25 0.00 0.00 0.00 179.25 180.17 1xn8 h LEU 61 N 0.76 0.95 -0.89 0.00 7.12 0.18 0.90 115.31 124.34 1xn8 h LEU 61 Ca 0.19 -0.62 -0.01 0.00 0.13 0.00 0.00 57.88 57.58 1xn8 h LEU 61 Cb 0.11 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 39.91 1xn8 h LEU 61 CO -0.03 1.42 0.53 -0.07 -0.13 0.00 0.00 178.44 180.16 1xn8 h LEU 62 N 0.55 1.07 -0.00 2.25 3.38 0.20 1.15 115.31 123.91 1xn8 h LEU 62 Ca -0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1xn8 h LEU 62 Cb 1.39 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1xn8 h LEU 62 CO 0.16 0.83 -0.00 0.11 0.09 0.00 0.00 178.44 179.62 1xn8 h LYS 63 N 1.22 0.00 -0.72 1.13 1.79 0.04 0.46 116.57 120.49 1xn8 h LYS 63 Ca 0.32 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.82 1xn8 h LYS 63 Cb -0.04 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.56 1xn8 h LYS 63 CO -0.06 0.59 0.45 -0.07 -1.08 0.00 0.00 179.45 179.28 1xn8 h LEU 64 N -0.59 0.72 -0.16 2.94 3.38 -0.54 0.89 115.31 121.95 1xn8 h LEU 64 Ca -0.00 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1xn8 h LEU 64 Cb 0.59 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xn8 h LEU 64 CO 0.00 0.49 -0.10 -1.28 0.09 0.00 0.00 178.44 177.64 1xn8 h SER 65 N 0.86 0.37 -0.10 -0.43 0.87 0.14 -0.35 113.55 114.91 1xn8 h SER 65 Ca 0.30 -0.43 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 1xn8 h SER 65 Cb 0.06 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1xn8 h SER 65 CO -0.13 0.73 -0.01 -0.61 -0.53 0.00 0.00 176.83 176.28 1xn8 h GLN 66 N 0.02 0.29 0.11 2.24 4.15 0.48 1.32 115.11 123.71 1xn8 h GLN 66 Ca 0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1xn8 h GLN 66 Cb 0.60 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1xn8 h GLN 66 CO 0.03 0.33 -0.05 0.35 -1.93 0.00 0.00 178.83 177.55 1xn8 h PHE 67 N 0.29 -0.13 -0.15 3.99 3.04 0.97 -1.82 116.94 123.13 1xn8 h PHE 67 Ca 0.07 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.94 1xn8 h PHE 67 Cb 0.21 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.77 1xn8 h PHE 67 CO 0.00 0.36 -0.21 1.88 -2.02 0.00 0.00 178.31 178.32 1xn8 h TYR 68 N -0.74 0.49 -0.05 0.41 0.05 -0.87 -2.71 116.97 113.56 1xn8 h TYR 68 Ca -0.01 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.62 1xn8 h TYR 68 Cb 0.55 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 1xn8 h TYR 68 CO 0.10 0.82 0.05 0.00 -1.05 0.00 0.00 178.16 178.08 1xn8 h ALA 69 N 0.58 1.78 -0.26 3.88 0.00 0.16 1.45 119.26 126.85 1xn8 h ALA 69 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xn8 h ALA 69 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xn8 h ALA 69 CO 0.05 -0.08 0.00 -0.11 0.00 0.00 0.00 179.25 179.11 1xn8 n LEU 70 N -4.11 0.11 -0.23 0.00 7.94 -0.68 -3.32 117.00 116.71 1xn8 n LEU 70 Ca -0.02 0.75 0.03 0.00 -1.11 0.00 0.00 56.01 55.66 1xn8 n LEU 70 Cb 0.15 -0.46 0.28 0.00 0.53 0.00 0.00 43.42 43.92 1xn8 n LEU 70 CO 0.30 -0.46 1.24 0.16 -1.11 0.00 0.00 177.39 177.52 1xn8 h ILE 71 N 0.00 1.11 -1.43 1.96 3.07 -1.33 -0.95 117.51 119.94 1xn8 h ILE 71 Ca 0.00 -0.32 0.47 0.00 1.55 0.00 0.00 64.86 66.56 1xn8 h ILE 71 Cb 0.00 0.09 -0.13 0.00 -0.27 0.00 0.00 36.82 36.51 1xn8 h ILE 71 CO 0.00 0.17 0.94 0.78 -1.05 0.00 0.00 178.15 178.99 1xn8 h ASN 72 N 0.94 0.19 0.00 2.16 4.21 0.19 -3.37 115.58 119.91 1xn8 h ASN 72 Ca 0.31 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.95 1xn8 h ASN 72 Cb 0.07 0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 1xn8 h ASN 72 CO -0.09 -0.20 0.00 0.61 -1.29 0.00 0.00 177.43 176.46 1xn8 n GLY 73 N -1.57 0.71 1.12 2.83 0.00 -0.41 -4.96 105.19 102.90 1xn8 n GLY 73 Ca 0.40 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.55 1xn8 n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xn8 n ASP 74 N 0.00 -5.99 -0.18 1.61 -0.08 -0.90 -3.91 116.55 107.10 1xn8 n ASP 74 Ca 0.00 0.63 -0.06 0.00 -1.51 0.00 0.00 54.79 53.84 1xn8 n ASP 74 Cb 0.00 -3.57 -0.05 0.00 2.34 0.00 0.00 41.12 39.84 1xn8 n ASP 74 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1xn8 h GLU 75 N -1.18 -0.06 0.00 -0.67 4.57 -1.94 -3.40 114.58 111.90 1xn8 h GLU 75 Ca -0.04 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 1xn8 h GLU 75 Cb 1.25 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 29.74 1xn8 h GLU 75 CO 0.03 -0.04 -0.08 0.43 -1.18 0.00 0.00 179.01 178.17 1xn8 n SER 76 N -4.19 -1.56 -4.73 1.04 7.64 -1.26 -5.14 113.62 105.42 1xn8 n SER 76 Ca 0.00 -2.38 -0.42 0.00 1.01 0.00 0.00 58.87 57.08 1xn8 n SER 76 Cb 0.15 1.35 -0.03 0.00 -1.01 0.00 0.00 64.21 64.67 1xn8 n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1xn8 s ILE 77 N 0.11 3.07 1.01 0.44 1.01 -1.25 -4.97 121.20 120.62 1xn8 s ILE 77 Ca 0.19 0.85 -0.15 0.00 0.00 0.00 0.00 60.65 61.54 1xn8 s ILE 77 Cb 0.28 -3.54 0.07 0.00 0.01 0.00 0.00 42.46 39.28 1xn8 s ILE 77 CO -0.13 0.11 0.33 -0.38 0.00 0.00 0.00 174.94 174.87 1xn8 n ILE 78 N 2.95 0.00 -0.74 2.92 5.41 -1.18 -4.73 119.36 123.98 1xn8 n ILE 78 Ca 0.08 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1xn8 n ILE 78 Cb 0.42 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 1xn8 n ILE 78 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1xn8 n LYS 79 N -2.06 -1.41 -0.96 0.38 4.76 -1.25 -4.05 118.16 113.57 1xn8 n LYS 79 Ca 0.05 1.24 0.00 0.00 -2.87 0.00 0.00 58.31 56.73 1xn8 n LYS 79 Cb 0.56 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 1xn8 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xn8 n GLY 80 N 0.22 -4.19 2.04 0.72 0.00 -1.26 -4.92 105.19 97.79 1xn8 n GLY 80 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.47 -2.12 -1.56 1.61 4.11 -1.26 -4.96 117.16 113.45 1xn8 n TYR 81 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 57.90 58.22 1xn8 n TYR 81 Cb 0.00 1.10 0.00 0.00 -0.00 0.00 0.00 39.34 40.44 1xn8 n TYR 81 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 1xn8 n THR 82 N -2.77 0.00 -4.46 -3.48 -1.04 -1.26 -5.09 114.28 96.17 1xn8 n THR 82 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1xn8 n THR 82 Cb 0.00 0.68 -0.10 0.00 -1.82 0.00 0.00 70.33 69.09 1xn8 n THR 82 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1xn8 s THR 83 N 0.00 2.44 0.21 12.58 2.01 -1.26 -5.15 115.64 126.47 1xn8 s THR 83 Ca 0.00 -2.36 -0.04 0.00 0.31 0.00 0.00 61.69 59.60 1xn8 s THR 83 Cb 0.00 -2.27 0.05 0.00 0.01 0.00 0.00 72.50 70.29 1xn8 s THR 83 CO 0.00 -0.38 0.25 -0.62 -0.69 0.00 0.00 174.62 173.18 1xn8 n GLU 84 N -0.52 -0.66 -2.09 4.92 1.02 -1.26 -4.91 120.64 117.14 1xn8 n GLU 84 Ca -0.06 -0.39 -0.42 0.00 -0.02 0.00 0.00 57.16 56.27 1xn8 n GLU 84 Cb 0.60 -0.29 -0.03 0.00 -0.02 0.00 0.00 31.44 31.70 1xn8 n GLU 84 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xn8 s LYS 85 N -3.55 4.25 0.00 3.49 3.01 -1.26 -4.87 119.74 120.82 1xn8 s LYS 85 Ca 0.15 2.14 0.13 0.00 -1.01 0.00 0.00 55.97 57.38 1xn8 s LYS 85 Cb -0.01 -3.49 0.17 0.00 -1.01 0.00 0.00 37.83 33.49 1xn8 s LYS 85 CO 0.11 -0.61 1.02 -0.89 0.51 0.00 0.00 175.35 175.49 1xn8 n ILE 86 N 4.51 0.26 -2.13 2.17 5.41 -1.26 -4.96 119.36 123.35 1xn8 n ILE 86 Ca 0.14 -0.63 -0.17 0.00 1.00 0.00 0.00 62.75 63.08 1xn8 n ILE 86 Cb 0.42 1.07 -0.03 0.00 -0.71 0.00 0.00 39.64 40.39 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 0.74 0.17 2.51 7.39 0.00 -1.26 -4.95 105.19 109.78 1xn8 n GLY 87 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.64 1.22 -3.73 1.61 -0.08 -1.26 -5.13 116.55 107.55 1xn8 n ASP 88 Ca -0.20 -1.92 -0.16 0.00 -1.51 0.00 0.00 54.79 51.01 1xn8 n ASP 88 Cb 0.63 -0.31 -0.16 0.00 2.34 0.00 0.00 41.12 43.62 1xn8 n ASP 88 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1xn8 s TYR 89 N -1.47 -0.04 0.00 -0.67 5.04 -1.26 -4.98 117.35 113.97 1xn8 s TYR 89 Ca 0.40 0.32 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1xn8 s TYR 89 Cb -0.03 -0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.03 1xn8 s TYR 89 CO 0.26 -0.16 0.00 0.43 -1.34 0.00 0.00 175.55 174.74 1xn8 n SER 90 N 4.58 0.00 -4.42 4.32 7.64 -1.26 -5.10 113.62 119.38 1xn8 n SER 90 Ca -0.19 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.24 1xn8 n SER 90 Cb 0.50 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1xn8 n SER 90 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xn8 s TYR 91 N 0.00 3.13 -0.01 1.43 2.02 -1.26 -3.79 117.35 118.86 1xn8 s TYR 91 Ca 0.00 -1.27 -0.27 0.00 -0.37 0.00 0.00 57.07 55.15 1xn8 s TYR 91 Cb 0.00 -4.16 -0.04 0.00 -0.40 0.00 0.00 41.96 37.36 1xn8 s TYR 91 CO 0.00 -1.40 0.86 0.99 -1.57 0.00 0.00 175.55 174.43 1xn8 s THR 92 N 2.52 4.90 0.00 -0.71 2.01 -1.26 -3.84 115.64 119.26 1xn8 s THR 92 Ca 0.25 1.81 0.00 0.00 0.31 0.00 0.00 61.69 64.06 1xn8 s THR 92 Cb -0.11 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.19 1xn8 s THR 92 CO -0.04 0.22 0.00 0.18 -0.69 0.00 0.00 174.62 174.29 1xn8 n LEU 93 N 3.71 0.00 -0.26 4.42 4.77 -0.41 -3.11 117.00 126.11 1xn8 n LEU 93 Ca 0.03 0.00 0.23 0.00 -0.03 0.00 0.00 56.01 56.24 1xn8 n LEU 93 Cb 0.51 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 42.01 1xn8 n LEU 93 CO 0.50 -0.15 0.74 0.61 -1.33 0.00 0.00 177.39 177.75 1xn8 n GLY 94 N 2.86 -0.51 0.00 -0.72 0.00 -1.26 -4.22 105.19 101.33 1xn8 n GLY 94 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1xn8 n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xn8 n ASP 95 N -4.17 0.00 0.00 1.61 8.00 -1.26 -5.05 116.55 115.67 1xn8 n ASP 95 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1xn8 n ASP 95 Cb 0.93 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 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 0.00 1.29 3.72 0.44 0.00 -1.26 -5.10 105.19 104.29 1xn8 n GLY 96 Ca 0.00 -0.20 -0.66 0.00 0.00 0.00 0.00 46.02 45.16 1xn8 n GLY 96 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xn8 n SER 97 N 0.00 1.19 -4.07 1.61 7.64 -1.26 -4.68 113.62 114.06 1xn8 n SER 97 Ca 0.00 1.18 -0.43 0.00 1.01 0.00 0.00 58.87 60.62 1xn8 n SER 97 Cb 0.00 -0.91 0.01 0.00 -1.01 0.00 0.00 64.21 62.30 1xn8 n SER 97 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xn8 n SER 98 N 3.87 6.24 -4.60 6.43 7.64 -1.26 -1.29 113.62 130.65 1xn8 n SER 98 Ca 0.30 -3.34 -0.46 0.00 1.01 0.00 0.00 58.87 56.37 1xn8 n SER 98 Cb -0.03 -1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 61.83 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 1.59 3.16 -4.79 -3.43 7.94 -1.25 -4.94 117.00 115.28 1xn8 n LEU 99 Ca 0.26 0.56 -0.23 0.00 -1.11 0.00 0.00 56.01 55.48 1xn8 n LEU 99 Cb 0.34 -1.43 -0.06 0.00 0.53 0.00 0.00 43.42 42.81 1xn8 n LEU 99 CO 0.67 -0.40 -0.10 0.00 -1.11 0.00 0.00 177.39 176.45 1xn8 s GLN 100 N 5.43 2.33 0.34 1.96 0.00 -1.26 -4.70 119.66 123.75 1xn8 s GLN 100 Ca 0.99 -1.75 -0.27 0.00 -0.00 0.00 0.00 55.36 54.33 1xn8 s GLN 100 Cb -0.58 -2.11 -0.13 0.00 0.00 0.00 0.00 33.01 30.19 1xn8 s GLN 100 CO 0.44 -0.17 0.97 1.63 0.00 0.00 0.00 175.29 178.17 1xn8 n LYS 101 N -1.36 1.28 -2.01 9.60 5.02 -1.26 -4.93 118.16 124.50 1xn8 n LYS 101 Ca 0.00 0.45 -0.32 0.00 -2.02 0.00 0.00 58.31 56.42 1xn8 n LYS 101 Cb 0.64 -1.86 0.01 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.68 3.33 -1.22 1.97 0.04 -1.26 -4.96 135.00 131.22 1xn8 s PRO 102 Ca 0.60 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 1xn8 s PRO 102 Cb -0.65 -2.04 0.19 0.00 0.04 0.00 0.00 34.50 32.04 1xn8 s PRO 102 CO 0.59 -0.80 1.56 -0.25 0.04 0.00 0.00 177.00 178.15 1xn8 n ASP 103 N -2.16 5.29 -1.55 6.66 8.00 -1.26 -4.67 116.55 126.86 1xn8 n ASP 103 Ca 0.08 -3.06 0.02 0.00 0.71 0.00 0.00 54.79 52.55 1xn8 n ASP 103 Cb 0.53 -1.50 0.31 0.00 -0.02 0.00 0.00 41.12 40.43 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 3.79 2.66 -0.11 2.53 0.24 -1.26 -4.48 118.33 121.70 1xn8 n VAL 104 Ca 0.36 -1.77 -0.14 0.00 -2.04 0.00 0.00 64.34 60.76 1xn8 n VAL 104 Cb 0.40 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.43 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 2.56 1.12 0.00 6.34 3.20 -1.96 -2.71 116.97 125.52 1xn8 h TYR 105 Ca 0.11 -0.35 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 1xn8 h TYR 105 Cb 1.91 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.95 1xn8 h TYR 105 CO 0.97 1.18 -0.07 0.00 -1.64 0.00 0.00 178.16 178.60 1xn8 h ALA 106 N 0.75 1.67 -0.38 1.82 0.00 -1.97 1.46 119.26 122.60 1xn8 h ALA 106 Ca 0.05 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1xn8 h ALA 106 Cb 1.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1xn8 h ALA 106 CO 0.10 0.08 -0.25 -0.07 0.00 0.00 0.00 179.25 179.11 1xn8 h LEU 107 N 0.00 0.88 -3.07 0.00 3.38 -1.80 -2.82 115.31 111.89 1xn8 h LEU 107 Ca -0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1xn8 h LEU 107 Cb 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1xn8 h LEU 107 CO 0.01 1.12 0.00 2.30 0.09 0.00 0.00 178.44 181.96 1xn8 n ILE 108 N -4.20 1.67 0.15 1.22 -5.35 -0.44 -4.23 119.36 108.19 1xn8 n ILE 108 Ca -0.02 -1.19 0.02 0.00 -0.27 0.00 0.00 62.75 61.29 1xn8 n ILE 108 Cb 0.46 0.19 0.20 0.00 -1.74 0.00 0.00 39.64 38.76 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 3.84 0.00 0.00 6.28 3.11 0.22 -0.44 116.57 129.58 1xn8 h LYS 109 Ca 0.00 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1xn8 h LYS 109 Cb 1.33 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.55 1xn8 h LYS 109 CO 0.18 0.52 -0.82 0.22 -2.81 0.00 0.00 179.45 176.74 1xn8 h ASP 110 N 0.00 0.00 -0.40 4.20 1.82 -1.74 -3.28 116.42 117.03 1xn8 h ASP 110 Ca -0.01 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.50 1xn8 h ASP 110 Cb 1.12 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.05 1xn8 h ASP 110 CO 0.07 0.23 0.04 -1.22 -1.61 0.00 0.00 179.24 176.75 1xn8 n TYR 111 N -2.91 1.30 -2.16 0.28 4.02 -1.08 -5.00 117.16 111.62 1xn8 n TYR 111 Ca -0.01 -1.28 -0.31 0.00 -0.01 0.00 0.00 57.90 56.29 1xn8 n TYR 111 Cb 0.65 -0.47 -0.00 0.00 -0.02 0.00 0.00 39.34 39.50 1xn8 n TYR 111 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1xn8 s VAL 112 N -3.05 4.72 -0.98 -0.72 1.01 -0.20 -4.80 120.40 116.38 1xn8 s VAL 112 Ca 0.46 0.80 -0.31 0.00 0.00 0.00 0.00 61.98 62.93 1xn8 s VAL 112 Cb 0.39 -3.83 -0.22 0.00 0.00 0.00 0.00 36.38 32.72 1xn8 s VAL 112 CO 0.06 -0.98 2.66 2.29 0.00 0.00 0.00 175.10 179.13 1xn8 n LYS 113 N -2.37 0.00 -1.51 2.72 0.00 -0.70 -4.85 118.16 111.45 1xn8 n LYS 113 Ca 0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.06 1xn8 n LYS 113 Cb 0.54 -1.48 0.23 0.00 -0.00 0.00 0.00 35.03 34.33 1xn8 n LYS 113 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1xn8 s PRO 114 N 8.85 -0.63 -0.98 -1.58 0.04 -1.26 -4.98 135.00 134.45 1xn8 s PRO 114 Ca 1.34 -0.38 -0.02 0.00 0.04 0.00 0.00 61.00 61.98 1xn8 s PRO 114 Cb -1.24 -1.69 0.30 0.00 0.04 0.00 0.00 34.50 31.90 1xn8 s PRO 114 CO 0.48 -3.27 1.35 0.00 0.04 0.00 0.00 177.00 175.60 1xn8 n ALA 115 N -4.38 5.01 -2.53 8.56 0.00 -1.26 -5.01 120.51 120.91 1xn8 n ALA 115 Ca 0.16 -4.79 -0.32 0.00 0.00 0.00 0.00 53.44 48.49 1xn8 n ALA 115 Cb 0.59 -2.01 -0.12 0.00 0.00 0.00 0.00 19.45 17.91 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 -1.96 4.25 0.21 0.00 2.15 -1.26 -5.13 116.67 114.92 1xn8 s ASP 116 Ca 0.34 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.09 1xn8 s ASP 116 Cb 0.08 -0.90 0.00 0.00 -0.30 0.00 0.00 42.92 41.81 1xn8 s ASP 116 CO 0.07 0.29 0.00 -0.81 -0.17 0.00 0.00 175.17 174.55 1xn8 n PRO 117 N 1.77 0.69 -0.98 4.34 -0.04 -1.26 -4.89 135.00 134.63 1xn8 n PRO 117 Ca -0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 1xn8 n PRO 117 Cb 0.52 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.03 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 -0.62 6.67 0.06 3.54 -0.08 -1.26 -4.08 116.55 120.79 1xn8 n ASP 118 Ca 0.00 -3.19 0.12 0.00 -1.51 0.00 0.00 54.79 50.21 1xn8 n ASP 118 Cb 0.00 -1.05 0.08 0.00 2.34 0.00 0.00 41.12 42.48 1xn8 n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xn8 n LEU 119 N 0.16 0.70 -4.73 -2.67 -0.00 -1.26 -4.92 117.00 104.29 1xn8 n LEU 119 Ca 0.36 0.19 -0.35 0.00 -0.00 0.00 0.00 56.01 56.20 1xn8 n LEU 119 Cb 0.59 -0.12 0.08 0.00 -0.00 0.00 0.00 43.42 43.97 1xn8 n LEU 119 CO 0.45 -0.07 0.84 -0.70 -0.00 0.00 0.00 177.39 177.91 1xn8 s GLU 120 N -3.24 2.32 1.16 1.47 2.56 -1.26 -4.62 118.70 117.09 1xn8 s GLU 120 Ca 0.03 1.87 0.00 0.00 0.00 0.00 0.00 54.97 56.87 1xn8 s GLU 120 Cb 0.13 -1.84 0.00 0.00 2.00 0.00 0.00 34.13 34.41 1xn8 s GLU 120 CO 0.77 -1.72 0.00 0.41 -0.56 0.00 0.00 175.26 174.15 1xn8 n GLY 121 N 0.58 0.87 1.22 -1.50 0.00 -1.26 -5.08 105.19 100.02 1xn8 n GLY 121 Ca 0.14 -1.28 0.14 0.00 0.00 0.00 0.00 46.02 45.02 1xn8 n GLY 121 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xn8 n ILE 122 N 0.00 -0.16 -1.09 -0.61 5.41 -1.26 -4.67 119.36 116.98 1xn8 n ILE 122 Ca 0.00 0.45 -0.04 0.00 1.00 0.00 0.00 62.75 64.16 1xn8 n ILE 122 Cb 0.00 -0.82 -0.02 0.00 -0.71 0.00 0.00 39.64 38.09 1xn8 n ILE 122 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xn8 n GLU 123 N -3.81 -1.88 -0.12 0.38 2.13 -1.26 -4.74 120.64 111.34 1xn8 n GLU 123 Ca -0.04 0.63 -0.24 0.00 0.66 0.00 0.00 57.16 58.17 1xn8 n GLU 123 Cb 0.61 -5.03 -0.08 0.00 0.27 0.00 0.00 31.44 27.21 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 1.02 1.06 0.07 4.31 0.00 -1.26 -3.55 120.51 122.17 1xn8 n ALA 124 Ca -0.04 -0.95 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 1xn8 n ALA 124 Cb 0.52 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.10 -0.12 0.00 1.63 -1.98 -2.81 116.57 112.18 1xn8 h LYS 125 Ca -0.49 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.35 1xn8 h LYS 125 Cb 1.41 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 33.03 1xn8 h LYS 125 CO -0.30 -0.02 -0.11 0.28 -3.45 0.00 0.00 179.45 175.86 1xn8 h VAL 126 N -0.16 0.70 -1.61 2.00 2.07 -1.95 0.87 116.25 118.16 1xn8 h VAL 126 Ca -0.01 0.00 0.48 0.00 0.82 0.00 0.00 66.70 67.99 1xn8 h VAL 126 Cb 0.13 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1xn8 h VAL 126 CO 0.02 0.00 1.14 0.03 0.02 0.00 0.00 177.57 178.78 1xn8 h ARG 127 N -0.12 0.03 0.04 1.57 2.47 -1.55 0.34 114.38 117.15 1xn8 h ARG 127 Ca 0.08 -0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.43 1xn8 h ARG 127 Cb 0.24 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.51 1xn8 h ARG 127 CO -0.20 0.02 -2.15 -1.33 0.56 0.00 0.00 179.97 176.87 1xn8 n MET 128 N -4.16 0.66 -0.08 0.04 2.81 0.03 -3.53 117.12 112.89 1xn8 n MET 128 Ca 0.37 0.27 0.25 0.00 -1.81 0.00 0.00 57.70 56.79 1xn8 n MET 128 Cb 1.67 -1.61 0.72 0.00 -0.71 0.00 0.00 33.22 33.29 1xn8 n MET 128 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1xn8 h ARG 129 N -0.32 0.00 0.00 0.03 1.12 0.40 1.03 114.38 116.64 1xn8 h ARG 129 Ca -0.52 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.32 1xn8 h ARG 129 Cb 1.80 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.75 1xn8 h ARG 129 CO -0.12 0.00 -0.91 0.77 -3.11 0.00 0.00 179.97 176.61 1xn8 h SER 130 N 0.00 0.00 0.00 -3.80 0.02 -0.69 -3.50 113.55 105.59 1xn8 h SER 130 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1xn8 h SER 130 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1xn8 h SER 130 CO -0.00 0.13 0.00 -0.38 -1.14 0.00 0.00 176.83 175.43