#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2be3 h LEU 3 N 0.00 0.16 -0.53 3.22 7.12 -2.06 -2.39 115.31 120.84 2be3 h LEU 3 Ca 0.00 -0.10 -0.13 0.00 0.13 0.00 0.00 57.88 57.79 2be3 h LEU 3 Cb 0.00 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.07 2be3 h LEU 3 CO 0.00 0.75 -0.18 -0.33 -0.13 0.00 0.00 178.44 178.54 2be3 h GLU 4 N 0.10 1.00 -0.10 1.25 5.08 -2.06 -1.63 114.58 118.22 2be3 h GLU 4 Ca -0.01 -0.41 -0.17 0.00 -1.00 0.00 0.00 59.36 57.78 2be3 h GLU 4 Cb 1.12 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2be3 h GLU 4 CO 0.09 1.09 -0.65 -1.49 -1.00 0.00 0.00 179.01 177.05 2be3 h TRP 5 N 0.87 0.52 -0.34 4.33 4.06 -2.00 -2.55 115.95 120.85 2be3 h TRP 5 Ca 0.12 -0.21 0.03 0.00 2.06 0.00 0.00 58.89 60.89 2be3 h TRP 5 Cb 0.76 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.80 2be3 h TRP 5 CO 0.05 0.93 0.14 1.49 -3.56 0.00 0.00 178.44 177.50 2be3 h GLU 6 N 0.29 0.30 -0.40 0.49 4.81 -1.19 -1.85 114.58 117.03 2be3 h GLU 6 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2be3 h GLU 6 Cb 1.20 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2be3 h GLU 6 CO 0.11 0.20 0.20 0.93 -0.73 0.00 0.00 179.01 179.72 2be3 h GLU 7 N 0.30 0.57 -0.27 1.92 5.08 -1.27 -1.45 114.58 119.46 2be3 h GLU 7 Ca 0.15 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2be3 h GLU 7 Cb 0.09 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2be3 h GLU 7 CO -0.13 0.49 -0.12 0.35 -1.00 0.00 0.00 179.01 178.60 2be3 h PHE 8 N 0.51 0.49 0.00 4.33 3.57 -1.37 -3.13 116.94 121.33 2be3 h PHE 8 Ca 0.14 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2be3 h PHE 8 Cb 0.10 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2be3 h PHE 8 CO -0.02 0.57 -0.69 1.28 -2.23 0.00 0.00 178.31 177.22 2be3 n LEU 9 N -4.22 0.69 -0.29 0.59 4.77 -0.70 -4.35 117.00 113.48 2be3 n LEU 9 Ca 0.00 0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 2be3 n LEU 9 Cb 0.31 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2be3 n LEU 9 CO 0.40 -0.04 0.54 0.44 -1.33 0.00 0.00 177.39 177.40 2be3 h ASP 10 N 0.00 -1.69 -0.77 -1.43 3.45 -1.20 0.52 116.42 115.30 2be3 h ASP 10 Ca 0.00 0.28 0.01 0.00 0.43 0.00 0.00 57.03 57.75 2be3 h ASP 10 Cb 0.75 0.78 -0.04 0.00 -0.56 0.00 0.00 39.33 40.26 2be3 h ASP 10 CO 0.00 -0.30 0.51 1.55 -1.57 0.00 0.00 179.24 179.42 2be3 h PRO 11 N -0.13 1.00 -0.58 3.56 0.13 -1.79 0.15 132.00 134.34 2be3 h PRO 11 Ca 0.20 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 2be3 h PRO 11 Cb 0.53 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 2be3 h PRO 11 CO -0.81 0.66 0.02 1.88 -0.23 0.00 0.00 178.00 179.52 2be3 h TYR 12 N 1.03 1.07 -0.36 1.56 0.05 -1.52 -1.27 116.97 117.53 2be3 h TYR 12 Ca 0.28 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 2be3 h TYR 12 Cb -0.12 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.32 2be3 h TYR 12 CO -0.00 0.94 0.14 0.82 -1.05 0.00 0.00 178.16 179.01 2be3 h ILE 13 N 0.91 1.19 -0.99 -2.88 2.04 -0.21 -1.87 117.51 115.71 2be3 h ILE 13 Ca 0.17 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.45 2be3 h ILE 13 Cb 0.51 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2be3 h ILE 13 CO 0.02 0.21 0.66 -0.61 0.00 0.00 0.00 178.15 178.43 2be3 h GLN 14 N 0.44 1.28 -0.20 2.37 4.15 -0.60 -2.62 115.11 119.93 2be3 h GLN 14 Ca 0.12 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 2be3 h GLN 14 Cb 0.20 -0.29 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 2be3 h GLN 14 CO -0.01 0.85 -0.12 0.00 -1.93 0.00 0.00 178.83 177.62 2be3 h ALA 15 N 1.39 0.28 -0.32 3.38 0.00 -0.97 -1.21 119.26 121.82 2be3 h ALA 15 Ca 0.37 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2be3 h ALA 15 Cb -0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 2be3 h ALA 15 CO -0.09 0.14 0.01 0.28 0.00 0.00 0.00 179.25 179.59 2be3 h VAL 16 N 0.11 0.78 -0.39 0.00 2.07 -1.35 0.63 116.25 118.11 2be3 h VAL 16 Ca 0.04 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2be3 h VAL 16 Cb 0.63 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 2be3 h VAL 16 CO 0.03 0.02 -0.15 1.23 0.02 0.00 0.00 177.57 178.73 2be3 h GLY 17 N 0.11 0.19 1.01 2.17 0.00 -1.22 -0.20 103.07 105.13 2be3 h GLY 17 Ca 0.15 0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.56 2be3 h GLY 17 CO -0.24 -0.18 -0.20 0.83 0.00 0.00 0.00 176.54 176.74 2be3 h GLU 18 N -0.07 0.80 -0.51 4.80 5.08 -0.82 -2.83 114.58 121.03 2be3 h GLU 18 Ca 0.19 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 2be3 h GLU 18 Cb 0.36 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2be3 h GLU 18 CO -0.44 0.99 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.32 2be3 h LEU 19 N 0.60 1.04 -0.14 1.33 3.38 -0.71 0.46 115.31 121.26 2be3 h LEU 19 Ca 0.08 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.72 2be3 h LEU 19 Cb 0.76 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 2be3 h LEU 19 CO 0.06 1.18 -0.22 0.11 0.09 0.00 0.00 178.44 179.65 2be3 h LYS 20 N 0.89 -0.27 -0.02 1.13 1.57 -1.03 0.30 116.57 119.15 2be3 h LYS 20 Ca 0.12 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2be3 h LYS 20 Cb 0.74 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2be3 h LYS 20 CO 0.06 -0.18 0.01 0.82 -0.57 0.00 0.00 179.45 179.59 2be3 h ILE 21 N -0.28 1.02 -0.51 1.86 1.08 -1.30 -1.54 117.51 117.86 2be3 h ILE 21 Ca 0.11 -0.07 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 2be3 h ILE 21 Cb 0.43 1.04 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 2be3 h ILE 21 CO -0.31 0.02 0.29 0.11 -0.69 0.00 0.00 178.15 177.58 2be3 h LYS 22 N 0.00 0.56 -0.19 2.37 1.57 -0.55 -1.94 116.57 118.39 2be3 h LYS 22 Ca 0.01 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 2be3 h LYS 22 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2be3 h LYS 22 CO -0.00 0.37 -0.55 -0.07 -0.57 0.00 0.00 179.45 178.63 2be3 h LEU 23 N 0.58 0.65 -1.92 2.94 3.38 -0.28 -2.08 115.31 118.59 2be3 h LEU 23 Ca 0.21 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2be3 h LEU 23 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2be3 h LEU 23 CO -0.10 1.07 0.15 0.03 0.09 0.00 0.00 178.44 179.68 2be3 h ARG 24 N 0.45 0.10 0.00 1.13 3.08 -1.13 -2.80 114.38 115.21 2be3 h ARG 24 Ca 0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2be3 h ARG 24 Cb 1.10 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 2be3 h ARG 24 CO 0.11 0.07 -0.16 0.78 -1.07 0.00 0.00 179.97 179.69 2be3 h GLY 25 N 0.10 0.00 0.78 0.04 0.00 -0.63 -2.83 103.07 100.52 2be3 h GLY 25 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.45 2be3 h GLY 25 CO -0.01 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.26 2be3 h ILE 26 N 0.00 0.86 -0.17 2.60 2.04 -1.31 -1.61 117.51 119.92 2be3 h ILE 26 Ca -0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2be3 h ILE 26 Cb 1.01 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2be3 h ILE 26 CO 0.02 0.00 -0.04 -0.09 0.00 0.00 0.00 178.15 178.04 2be3 h ARG 27 N -0.04 0.00 -0.16 2.37 2.43 -1.57 -1.98 114.38 115.42 2be3 h ARG 27 Ca 0.05 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2be3 h ARG 27 Cb 0.11 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2be3 h ARG 27 CO -0.11 0.00 0.11 0.87 -1.51 0.00 0.00 179.97 179.33 2be3 h LYS 28 N 0.00 0.18 -0.06 0.20 1.57 -1.41 -1.28 116.57 115.77 2be3 h LYS 28 Ca 0.08 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 2be3 h LYS 28 Cb 0.12 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2be3 h LYS 28 CO -0.17 0.12 -0.58 1.96 -0.57 0.00 0.00 179.45 180.21 2be3 h GLN 29 N 0.18 0.18 -0.06 3.15 4.20 -0.57 -1.46 115.11 120.73 2be3 h GLN 29 Ca 0.06 -0.12 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 2be3 h GLN 29 Cb 0.03 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.84 2be3 h GLN 29 CO -0.01 0.71 -0.56 1.88 -0.67 0.00 0.00 178.83 180.17 2be3 h TYR 30 N 0.14 0.69 -0.43 2.96 -1.99 -0.70 -3.08 116.97 114.55 2be3 h TYR 30 Ca -0.00 -0.33 -0.06 0.00 2.00 0.00 0.00 58.73 60.33 2be3 h TYR 30 Cb 1.05 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.67 2be3 h TYR 30 CO 0.02 1.12 0.02 0.00 -0.00 0.00 0.00 178.16 179.32 2be3 h ARG 31 N 0.05 0.74 -0.28 4.88 3.08 -1.34 -0.71 114.38 120.80 2be3 h ARG 31 Ca -0.05 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 2be3 h ARG 31 Cb 1.23 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2be3 h ARG 31 CO 0.11 0.80 0.10 -0.22 -1.07 0.00 0.00 179.97 179.70 2be3 h LYS 32 N 0.58 0.39 -0.77 0.04 3.64 -1.37 -1.09 116.57 117.99 2be3 h LYS 32 Ca 0.12 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 2be3 h LYS 32 Cb 0.46 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 2be3 h LYS 32 CO 0.02 0.33 0.17 1.04 -2.27 0.00 0.00 179.45 178.74 2be3 n GLN 33 N -4.41 3.47 -3.86 1.90 6.02 -1.11 -4.97 117.38 114.42 2be3 n GLN 33 Ca 0.01 -2.50 -0.32 0.00 -0.01 0.00 0.00 57.00 54.18 2be3 n GLN 33 Cb 0.14 -2.07 0.01 0.00 1.02 0.00 0.00 30.24 29.34 2be3 n GLN 33 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2be3 n ASN 34 N 0.09 -4.77 -3.99 1.08 3.02 -0.41 -5.01 115.26 105.26 2be3 n ASN 34 Ca 0.30 -1.06 -0.08 0.00 -0.03 0.00 0.00 54.58 53.72 2be3 n ASN 34 Cb 1.15 -1.96 -0.10 0.00 -0.61 0.00 0.00 39.78 38.26 2be3 n ASN 34 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2be3 s LYS 35 N -5.85 0.58 0.06 3.52 1.02 -0.30 -5.02 119.74 113.75 2be3 s LYS 35 Ca 0.22 -0.94 -0.32 0.00 0.02 0.00 0.00 55.97 54.95 2be3 s LYS 35 Cb -0.11 0.22 -0.11 0.00 -0.52 0.00 0.00 37.83 37.30 2be3 s LYS 35 CO 0.92 -0.13 1.85 1.58 -0.92 0.00 0.00 175.35 178.65 2be3 n HIS 36 N 0.54 2.50 -2.63 3.18 -0.00 -1.26 -4.06 115.22 113.49 2be3 n HIS 36 Ca -0.17 -0.13 -0.43 0.00 -0.00 0.00 0.00 57.72 56.99 2be3 n HIS 36 Cb 0.59 -2.72 -0.02 0.00 -0.00 0.00 0.00 29.99 27.84 2be3 n HIS 36 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2be3 s SER 37 N 3.22 7.15 0.44 0.26 0.15 -1.26 -4.93 113.70 118.73 2be3 s SER 37 Ca 0.85 1.52 0.09 0.00 0.70 0.00 0.00 55.95 59.12 2be3 s SER 37 Cb -0.53 -2.55 0.97 0.00 -1.71 0.00 0.00 66.02 62.19 2be3 s SER 37 CO 0.41 -0.57 2.08 1.55 1.20 0.00 0.00 173.24 177.92 2be3 h PRO 38 N 7.36 0.39 -5.80 5.44 0.13 -1.93 -3.42 132.00 134.16 2be3 h PRO 38 Ca -0.26 -0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.26 2be3 h PRO 38 Cb 1.11 -0.09 -0.07 0.00 0.13 0.00 0.00 31.00 32.08 2be3 h PRO 38 CO 0.91 0.26 -0.12 0.42 -0.23 0.00 0.00 178.00 179.25 2be3 s ILE 39 N -5.37 5.14 -0.21 -3.56 1.01 -1.26 -4.11 121.20 112.85 2be3 s ILE 39 Ca -0.07 1.00 -0.16 0.00 0.00 0.00 0.00 60.65 61.41 2be3 s ILE 39 Cb 0.17 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 2be3 s ILE 39 CO 0.71 0.35 -0.31 -0.62 0.00 0.00 0.00 174.94 175.08 2be3 n GLU 40 N 3.44 0.54 -3.85 2.79 -0.58 -1.26 -4.80 120.64 116.92 2be3 n GLU 40 Ca -0.07 0.27 -0.09 0.00 -0.42 0.00 0.00 57.16 56.85 2be3 n GLU 40 Cb 0.52 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.86 2be3 n GLU 40 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 2be3 s PHE 41 N -2.70 -0.00 0.00 -0.32 -0.71 -1.26 -5.07 117.98 107.92 2be3 s PHE 41 Ca -0.31 -0.38 0.03 0.00 -1.04 0.00 0.00 56.93 55.23 2be3 s PHE 41 Cb 0.07 0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 42.31 2be3 s PHE 41 CO 0.44 -1.04 -0.09 0.08 -1.34 0.00 0.00 175.22 173.27 2be3 s VAL 42 N -3.93 0.67 0.17 -2.49 1.01 -1.26 -4.52 120.40 110.05 2be3 s VAL 42 Ca 0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 2be3 s VAL 42 Cb -0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2be3 s VAL 42 CO 0.04 0.10 0.10 0.42 0.00 0.00 0.00 175.10 175.76 2be3 s THR 43 N -0.37 0.05 -0.07 3.92 -4.23 -0.20 -4.98 115.64 109.77 2be3 s THR 43 Ca 0.02 -1.96 -0.31 0.00 -1.18 0.00 0.00 61.69 58.25 2be3 s THR 43 Cb -0.04 -2.29 0.12 0.00 1.34 0.00 0.00 72.50 71.62 2be3 s THR 43 CO -0.00 -0.21 1.12 -0.83 -0.54 0.00 0.00 174.62 174.16 2be3 s GLY 44 N -3.11 -0.35 0.18 3.99 0.00 -1.26 0.61 107.32 107.37 2be3 s GLY 44 Ca 0.32 1.07 -0.21 0.00 0.00 0.00 0.00 44.72 45.90 2be3 s GLY 44 CO 0.07 0.33 0.59 1.09 0.00 0.00 0.00 173.10 175.18 2be3 s ARG 45 N -2.69 1.33 -0.01 2.90 3.03 -0.84 -5.01 118.95 117.67 2be3 s ARG 45 Ca 0.10 -0.60 -0.22 0.00 2.03 0.00 0.00 55.73 57.04 2be3 s ARG 45 Cb 0.00 0.57 -0.05 0.00 -1.03 0.00 0.00 34.95 34.45 2be3 s ARG 45 CO -0.05 -0.58 0.64 0.08 -1.13 0.00 0.00 175.30 174.27 2be3 s VAL 46 N -3.79 4.91 -0.02 4.99 1.01 -1.26 -2.11 120.40 124.13 2be3 s VAL 46 Ca 0.03 1.34 -0.37 0.00 0.00 0.00 0.00 61.98 62.99 2be3 s VAL 46 Cb -0.01 -3.98 -0.15 0.00 0.00 0.00 0.00 36.38 32.23 2be3 s VAL 46 CO -0.09 0.37 1.56 0.29 0.00 0.00 0.00 175.10 177.23 2be3 n LYS 47 N 2.97 1.46 -1.75 2.72 5.02 0.23 -4.89 118.16 123.92 2be3 n LYS 47 Ca -0.05 0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 56.35 2be3 n LYS 47 Cb 0.51 -2.23 -0.00 0.00 -0.02 0.00 0.00 35.03 33.28 2be3 n LYS 47 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2be3 n PRO 48 N 3.99 2.50 -0.34 1.97 -0.02 -1.26 -4.81 135.00 137.04 2be3 n PRO 48 Ca 0.21 0.88 0.04 0.00 -2.02 0.00 0.00 63.50 62.61 2be3 n PRO 48 Cb 0.20 -2.57 0.11 0.00 -0.02 0.00 0.00 33.50 31.22 2be3 n PRO 48 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2be3 n ILE 49 N 0.50 -0.42 -0.17 4.25 2.08 -1.26 -1.05 119.36 123.30 2be3 n ILE 49 Ca 0.03 2.15 -0.02 0.00 0.56 0.00 0.00 62.75 65.47 2be3 n ILE 49 Cb 0.38 -2.94 0.05 0.00 -0.75 0.00 0.00 39.64 36.38 2be3 n ILE 49 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 2be3 h GLU 50 N 0.00 0.04 -0.38 0.38 4.11 -2.01 -2.36 114.58 114.36 2be3 h GLU 50 Ca 0.42 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.78 2be3 h GLU 50 Cb 0.65 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2be3 h GLU 50 CO -0.95 0.03 -0.01 0.77 0.07 0.00 0.00 179.01 178.91 2be3 h SER 51 N 0.04 0.58 -0.02 3.06 0.02 -1.45 -2.98 113.55 112.80 2be3 h SER 51 Ca 0.26 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2be3 h SER 51 Cb 0.41 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 2be3 h SER 51 CO -0.51 0.66 0.00 0.40 -1.14 0.00 0.00 176.83 176.24 2be3 h ILE 52 N 0.58 1.17 -0.35 3.27 2.04 -1.28 -3.33 117.51 119.60 2be3 h ILE 52 Ca 0.12 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.55 2be3 h ILE 52 Cb 0.39 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 2be3 h ILE 52 CO 0.01 0.13 -0.05 0.11 0.00 0.00 0.00 178.15 178.36 2be3 h LYS 53 N -0.18 0.04 -0.28 2.37 1.57 -1.27 -1.77 116.57 117.05 2be3 h LYS 53 Ca 0.01 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2be3 h LYS 53 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2be3 h LYS 53 CO -0.00 0.03 0.15 0.93 -0.57 0.00 0.00 179.45 179.99 2be3 h GLU 54 N 0.04 0.30 -5.72 3.15 5.08 -1.71 -3.49 114.58 112.24 2be3 h GLU 54 Ca 0.17 -0.02 -0.65 0.00 -1.00 0.00 0.00 59.36 57.87 2be3 h GLU 54 Cb 0.25 -0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.31 2be3 h GLU 54 CO -0.33 0.20 1.49 0.15 -1.00 0.00 0.00 179.01 179.52 2be3 s LYS 55 N -6.17 3.71 0.00 2.33 1.02 -0.67 -5.19 119.74 114.78 2be3 s LYS 55 Ca -0.13 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.31 2be3 s LYS 55 Cb 0.10 -5.28 0.00 0.00 -0.52 0.00 0.00 37.83 32.13 2be3 s LYS 55 CO 0.70 -2.09 0.00 0.00 -0.92 0.00 0.00 175.35 173.04 2be3 n ALA 57 N 8.04 0.63 -0.06 5.17 0.00 -1.26 -5.03 120.51 127.99 2be3 n ALA 57 Ca 0.35 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.82 2be3 n ALA 57 Cb 0.49 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.32 2be3 n ALA 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2be3 h HIS 68 N 0.00 0.63 -5.98 0.00 -0.00 -2.00 -3.54 115.15 104.26 2be3 h HIS 68 Ca 0.00 0.01 -0.42 0.00 -0.00 0.00 0.00 60.37 59.96 2be3 h HIS 68 Cb 0.00 -0.21 -0.14 0.00 -0.00 0.00 0.00 27.41 27.05 2be3 h HIS 68 CO 0.00 0.40 -0.63 -3.47 -0.00 0.00 0.00 177.93 174.23 2be3 n ASP 69 N -4.46 -3.20 -4.07 3.26 2.03 -1.26 -4.96 116.55 103.89 2be3 n ASP 69 Ca 0.05 -0.59 -0.33 0.00 0.52 0.00 0.00 54.79 54.44 2be3 n ASP 69 Cb 0.06 -2.66 -0.14 0.00 -0.72 0.00 0.00 41.12 37.65 2be3 n ASP 69 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2be3 s LEU 70 N -6.68 4.45 0.36 -2.67 1.98 -1.26 -5.04 118.68 109.83 2be3 s LEU 70 Ca 0.52 -1.85 0.23 0.00 -2.89 0.00 0.00 54.13 50.14 2be3 s LEU 70 Cb -0.28 -1.66 0.28 0.00 0.66 0.00 0.00 46.19 45.18 2be3 s LEU 70 CO 0.64 -0.35 1.47 -0.61 -1.89 0.00 0.00 176.35 175.61 2be3 h GLN 71 N 7.78 0.00 0.00 1.98 5.75 -1.94 -3.35 115.11 125.32 2be3 h GLN 71 Ca -0.11 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 2be3 h GLN 71 Cb 1.04 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.59 2be3 h GLN 71 CO 0.54 0.00 -0.07 -0.40 -2.65 0.00 0.00 178.83 176.26 2be3 n ASP 72 N -2.94 2.06 -0.14 -0.69 5.75 -1.26 -3.16 116.55 116.16 2be3 n ASP 72 Ca 0.03 -2.96 -0.03 0.00 -0.01 0.00 0.00 54.79 51.82 2be3 n ASP 72 Cb 0.53 -0.40 0.05 0.00 -1.03 0.00 0.00 41.12 40.26 2be3 n ASP 72 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 2be3 h ILE 73 N 0.87 0.66 -3.63 2.12 2.04 -1.86 -3.31 117.51 114.41 2be3 h ILE 73 Ca -0.00 -0.04 -0.62 0.00 1.00 0.00 0.00 64.86 65.20 2be3 h ILE 73 Cb 1.05 0.53 -0.13 0.00 -0.74 0.00 0.00 36.82 37.52 2be3 h ILE 73 CO 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 178.15 178.08 2be3 s ALA 74 N -6.17 3.58 -0.04 1.87 0.00 -1.26 -0.60 121.76 119.13 2be3 s ALA 74 Ca -0.13 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2be3 s ALA 74 Cb 0.15 -2.82 -0.00 0.00 0.00 0.00 0.00 23.12 20.45 2be3 s ALA 74 CO 0.72 -0.69 -0.17 0.20 0.00 0.00 0.00 175.76 175.81 2be3 s GLY 75 N 1.55 0.93 0.06 0.00 0.00 -0.90 -0.98 107.32 107.98 2be3 s GLY 75 Ca 0.19 -0.69 0.06 0.00 0.00 0.00 0.00 44.72 44.28 2be3 s GLY 75 CO 0.09 -0.35 -0.18 1.08 0.00 0.00 0.00 173.10 173.74 2be3 s LEU 76 N 0.05 2.20 -0.15 0.66 1.02 0.12 -1.98 118.68 120.61 2be3 s LEU 76 Ca -0.04 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.57 2be3 s LEU 76 Cb -0.12 -0.79 0.03 0.00 0.02 0.00 0.00 46.19 45.33 2be3 s LEU 76 CO 0.02 0.08 -0.12 -0.60 0.02 0.00 0.00 176.35 175.75 2be3 s ARG 77 N -1.35 2.05 0.24 1.70 6.06 0.20 0.10 118.95 127.96 2be3 s ARG 77 Ca 0.04 -0.52 0.02 0.00 -2.50 0.00 0.00 55.73 52.77 2be3 s ARG 77 Cb -0.09 -2.02 0.02 0.00 0.06 0.00 0.00 34.95 32.92 2be3 s ARG 77 CO 0.02 -0.27 0.16 0.28 -2.50 0.00 0.00 175.30 172.98 2be3 n VAL 78 N 4.81 0.00 0.00 7.11 0.31 0.67 -1.03 118.33 130.20 2be3 n VAL 78 Ca -0.15 -0.99 0.00 0.00 -0.01 0.00 0.00 64.34 63.19 2be3 n VAL 78 Cb 0.50 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 2be3 n VAL 78 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2be3 n VAL 80 N -1.01 0.00 -0.07 2.52 0.24 -0.52 -1.35 118.33 118.14 2be3 n VAL 80 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.14 2be3 n VAL 80 Cb 0.28 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.60 2be3 n VAL 80 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2be3 h GLN 81 N 0.00 0.70 -5.79 7.34 4.20 -1.89 -2.37 115.11 117.29 2be3 h GLN 81 Ca 0.00 -0.43 -0.49 0.00 0.06 0.00 0.00 58.65 57.79 2be3 h GLN 81 Cb 0.00 0.04 -0.18 0.00 0.30 0.00 0.00 27.48 27.64 2be3 h GLN 81 CO 0.00 1.05 -0.78 -0.06 -0.67 0.00 0.00 178.83 178.37 2be3 s PHE 82 N -4.14 1.70 0.23 2.96 0.08 -1.26 -4.60 117.98 112.95 2be3 s PHE 82 Ca -0.12 -0.49 -0.06 0.00 0.12 0.00 0.00 56.93 56.37 2be3 s PHE 82 Cb 0.08 -0.86 0.33 0.00 -0.57 0.00 0.00 43.02 42.00 2be3 s PHE 82 CO 0.84 0.27 1.83 0.28 -0.10 0.00 0.00 175.22 178.35 2be3 h VAL 83 N 3.34 0.99 -0.06 -0.44 2.07 -1.90 -2.02 116.25 118.23 2be3 h VAL 83 Ca -0.42 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 66.83 2be3 h VAL 83 Cb 1.20 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2be3 h VAL 83 CO 0.51 0.16 0.07 0.44 0.02 0.00 0.00 177.57 178.77 2be3 h ASP 84 N 0.86 0.00 0.76 0.57 3.32 -1.98 -0.50 116.42 119.45 2be3 h ASP 84 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 2be3 h ASP 84 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2be3 h ASP 84 CO -0.19 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 177.77 2be3 h ASP 85 N 0.00 0.00 -0.52 6.45 3.32 -1.73 -3.28 116.42 120.67 2be3 h ASP 85 Ca 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 2be3 h ASP 85 Cb 0.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2be3 h ASP 85 CO -0.00 0.00 0.08 0.58 -1.72 0.00 0.00 179.24 178.18 2be3 h VAL 86 N 0.00 1.25 0.00 -1.35 2.07 -1.19 -2.30 116.25 114.74 2be3 h VAL 86 Ca 0.00 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 2be3 h VAL 86 Cb 0.38 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2be3 h VAL 86 CO 0.00 0.34 -0.50 0.07 0.02 0.00 0.00 177.57 177.50 2be3 h LYS 87 N 0.74 0.00 -0.72 1.57 -0.00 -1.75 -1.62 116.57 114.80 2be3 h LYS 87 Ca 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.76 2be3 h LYS 87 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.60 2be3 h LYS 87 CO 0.01 0.50 0.28 1.49 -0.00 0.00 0.00 179.45 181.73 2be3 h GLU 88 N 0.00 1.08 -0.29 0.07 4.81 -1.57 -1.80 114.58 116.87 2be3 h GLU 88 Ca -0.00 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 58.85 2be3 h GLU 88 Cb 0.98 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 2be3 h GLU 88 CO 0.06 0.89 -0.50 0.28 -0.73 0.00 0.00 179.01 179.01 2be3 h VAL 89 N 1.03 1.28 -0.82 0.32 2.07 -1.11 -2.61 116.25 116.40 2be3 h VAL 89 Ca 0.24 -1.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 2be3 h VAL 89 Cb 0.22 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2be3 h VAL 89 CO -0.02 0.55 0.38 0.58 0.02 0.00 0.00 177.57 179.08 2be3 h VAL 90 N 0.64 1.26 -0.68 2.57 2.07 -1.13 -1.85 116.25 119.13 2be3 h VAL 90 Ca 0.03 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 2be3 h VAL 90 Cb 1.09 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2be3 h VAL 90 CO 0.11 0.32 0.18 0.44 0.02 0.00 0.00 177.57 178.64 2be3 h ASP 91 N 1.18 1.01 -0.62 0.57 3.32 -1.25 -1.57 116.42 119.07 2be3 h ASP 91 Ca 0.28 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.13 2be3 h ASP 91 Cb 0.15 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 2be3 h ASP 91 CO -0.03 0.97 0.39 0.40 -1.72 0.00 0.00 179.24 179.25 2be3 h ILE 92 N 1.00 1.10 -0.83 0.35 2.04 -1.25 -2.15 117.51 117.77 2be3 h ILE 92 Ca 0.22 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2be3 h ILE 92 Cb 0.34 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 2be3 h ILE 92 CO -0.00 0.14 0.46 -0.07 0.00 0.00 0.00 178.15 178.68 2be3 h LEU 93 N 0.78 1.03 -1.09 1.44 3.38 -0.88 -1.96 115.31 118.00 2be3 h LEU 93 Ca 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2be3 h LEU 93 Cb -0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2be3 h LEU 93 CO -0.09 0.82 0.54 0.45 0.09 0.00 0.00 178.44 180.26 2be3 h HIS 94 N 1.16 1.12 0.00 1.13 3.86 -0.91 -2.61 115.15 118.89 2be3 h HIS 94 Ca 0.29 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2be3 h HIS 94 Cb 0.02 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.12 2be3 h HIS 94 CO 0.01 0.73 0.00 1.63 0.86 0.00 0.00 177.93 181.15 2be3 n LYS 95 N -4.38 0.29 -2.74 2.45 5.02 -0.76 -4.87 118.16 113.18 2be3 n LYS 95 Ca 0.10 0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 56.05 2be3 n LYS 95 Cb 0.05 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.50 2be3 n LYS 95 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2be3 s ARG 96 N -2.63 4.83 0.00 1.97 0.52 -0.99 -4.98 118.95 117.68 2be3 s ARG 96 Ca 0.21 1.49 0.23 0.00 -0.52 0.00 0.00 55.73 57.14 2be3 s ARG 96 Cb 0.16 -3.30 0.12 0.00 0.52 0.00 0.00 34.95 32.45 2be3 s ARG 96 CO 0.37 0.46 1.15 1.04 0.02 0.00 0.00 175.30 178.34 2be3 n GLN 97 N 1.73 0.56 -0.66 3.54 1.13 -1.26 -4.84 117.38 117.58 2be3 n GLN 97 Ca -0.01 -0.43 -0.09 0.00 -1.94 0.00 0.00 57.00 54.53 2be3 n GLN 97 Cb 0.47 -1.49 0.14 0.00 0.11 0.00 0.00 30.24 29.47 2be3 n GLN 97 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2be3 n ASP 98 N -0.85 3.53 -3.68 1.08 5.75 -1.26 -5.14 116.55 115.99 2be3 n ASP 98 Ca 0.07 -2.82 -0.11 0.00 -0.01 0.00 0.00 54.79 51.92 2be3 n ASP 98 Cb 0.38 -0.67 -0.11 0.00 -1.03 0.00 0.00 41.12 39.69 2be3 n ASP 98 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2be3 s ARG 100 N -1.94 0.28 -0.09 0.11 3.52 -0.80 -4.39 118.95 115.64 2be3 s ARG 100 Ca 0.33 0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 2be3 s ARG 100 Cb 0.27 0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.72 2be3 s ARG 100 CO 0.07 -0.22 1.16 0.42 -0.81 0.00 0.00 175.30 175.92 2be3 s ILE 101 N 2.06 4.38 -0.15 4.11 1.01 -1.26 -1.05 121.20 130.30 2be3 s ILE 101 Ca -0.04 1.69 0.16 0.00 0.00 0.00 0.00 60.65 62.46 2be3 s ILE 101 Cb -0.11 -4.09 -0.24 0.00 0.01 0.00 0.00 42.46 38.04 2be3 s ILE 101 CO -0.11 -0.03 0.13 -0.38 0.00 0.00 0.00 174.94 174.55 2be3 n ILE 102 N 4.76 0.98 -3.64 2.92 -0.00 0.14 -4.95 119.36 119.56 2be3 n ILE 102 Ca 0.11 -0.69 -0.06 0.00 -0.00 0.00 0.00 62.75 62.10 2be3 n ILE 102 Cb 0.46 -0.41 -0.07 0.00 -0.00 0.00 0.00 39.64 39.63 2be3 n ILE 102 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 2be3 s GLN 103 N -2.61 0.55 -0.03 0.38 -1.52 -1.06 -4.99 119.66 110.38 2be3 s GLN 103 Ca -0.08 0.84 0.06 0.00 -1.95 0.00 0.00 55.36 54.23 2be3 s GLN 103 Cb 0.07 0.17 -0.01 0.00 -0.22 0.00 0.00 33.01 33.01 2be3 s GLN 103 CO 0.74 -0.10 -0.21 -1.21 -0.25 0.00 0.00 175.29 174.26 2be3 s GLU 104 N 1.07 1.85 -0.11 2.91 2.02 -1.26 -0.08 118.70 125.10 2be3 s GLU 104 Ca -0.06 -0.76 -0.01 0.00 0.02 0.00 0.00 54.97 54.16 2be3 s GLU 104 Cb -0.04 -1.72 0.03 0.00 0.10 0.00 0.00 34.13 32.50 2be3 s GLU 104 CO -0.13 0.42 -0.01 1.03 0.02 0.00 0.00 175.26 176.59 2be3 s ARG 105 N -0.37 0.87 -1.08 1.61 1.81 0.29 -4.99 118.95 117.10 2be3 s ARG 105 Ca 0.05 -0.11 -0.17 0.00 -1.72 0.00 0.00 55.73 53.77 2be3 s ARG 105 Cb -0.10 -1.39 0.13 0.00 -0.45 0.00 0.00 34.95 33.15 2be3 s ARG 105 CO 0.00 -0.37 1.34 0.34 -0.68 0.00 0.00 175.30 175.94 2be3 s ASP 106 N 1.87 6.80 0.00 0.23 2.15 -1.26 -0.50 116.67 125.95 2be3 s ASP 106 Ca 0.04 -2.36 0.12 0.00 0.43 0.00 0.00 52.55 50.77 2be3 s ASP 106 Cb -0.13 -2.44 0.34 0.00 -0.30 0.00 0.00 42.92 40.38 2be3 s ASP 106 CO -0.07 -1.02 1.28 -1.22 -0.17 0.00 0.00 175.17 173.98 2be3 n TYR 107 N 6.71 0.48 -0.08 -5.34 4.01 -0.03 -3.01 117.16 119.90 2be3 n TYR 107 Ca 0.32 -0.24 -0.13 0.00 -0.16 0.00 0.00 57.90 57.69 2be3 n TYR 107 Cb 0.47 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.41 2be3 n TYR 107 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2be3 h ILE 108 N 2.13 0.92 -0.18 -0.72 2.04 -1.78 -3.01 117.51 116.91 2be3 h ILE 108 Ca 0.00 -1.87 -0.11 0.00 1.00 0.00 0.00 64.86 63.88 2be3 h ILE 108 Cb 0.49 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 2be3 h ILE 108 CO 0.00 0.31 -0.36 0.74 0.00 0.00 0.00 178.15 178.84 2be3 h THR 109 N -1.00 1.29 -3.28 -0.27 2.02 -1.91 -3.38 112.91 106.38 2be3 h THR 109 Ca -0.13 -1.45 -0.63 0.00 0.77 0.00 0.00 66.41 64.97 2be3 h THR 109 Cb 0.89 1.55 -0.40 0.00 -1.74 0.00 0.00 68.15 68.44 2be3 h THR 109 CO -0.08 0.45 -0.71 -1.00 0.37 0.00 0.00 175.52 174.55 2be3 s HIS 110 N -4.28 2.68 0.94 3.16 3.76 -1.16 -5.12 115.29 115.26 2be3 s HIS 110 Ca -0.06 -2.66 -0.11 0.00 -0.15 0.00 0.00 55.06 52.08 2be3 s HIS 110 Cb 0.13 -2.36 0.15 0.00 1.11 0.00 0.00 32.58 31.61 2be3 s HIS 110 CO 0.79 -0.82 1.09 -0.98 -0.85 0.00 0.00 174.74 173.97 2be3 s ARG 111 N 0.49 0.92 0.66 1.40 1.70 -1.20 -4.10 118.95 118.83 2be3 s ARG 111 Ca 0.15 1.02 -0.11 0.00 -0.47 0.00 0.00 55.73 56.32 2be3 s ARG 111 Cb -0.23 -1.75 -0.01 0.00 -0.57 0.00 0.00 34.95 32.39 2be3 s ARG 111 CO -0.06 -2.53 1.05 0.15 -1.08 0.00 0.00 175.30 172.83 2be3 s LYS 112 N -4.79 3.13 0.52 3.89 1.02 -0.29 -4.96 119.74 118.25 2be3 s LYS 112 Ca 0.65 0.51 0.16 0.00 0.02 0.00 0.00 55.97 57.30 2be3 s LYS 112 Cb -0.20 -2.07 1.26 0.00 -0.52 0.00 0.00 37.83 36.29 2be3 s LYS 112 CO 0.58 -0.83 2.14 0.00 -0.92 0.00 0.00 175.35 176.33 2be3 h ALA 113 N -0.48 2.00 0.00 5.17 0.00 -1.96 -1.71 119.26 122.28 2be3 h ALA 113 Ca -0.45 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2be3 h ALA 113 Cb 1.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2be3 h ALA 113 CO 0.63 -0.01 -0.19 0.66 0.00 0.00 0.00 179.25 180.34 2be3 h SER 114 N 0.02 0.00 0.00 0.00 4.64 -1.96 -3.46 113.55 112.79 2be3 h SER 114 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2be3 h SER 114 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2be3 h SER 114 CO -0.00 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 2be3 n GLY 115 N 0.09 1.81 3.71 -0.77 0.00 -0.64 -3.84 105.19 105.55 2be3 n GLY 115 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2be3 n GLY 115 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2be3 n TYR 116 N -0.30 2.67 -4.72 1.61 9.36 -1.26 -4.73 117.16 119.80 2be3 n TYR 116 Ca 0.00 0.09 -0.25 0.00 3.32 0.00 0.00 57.90 61.06 2be3 n TYR 116 Cb 0.00 -2.65 -0.16 0.00 -0.63 0.00 0.00 39.34 35.90 2be3 n TYR 116 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2be3 s ARG 117 N 1.03 1.61 -0.21 2.98 0.52 -1.26 -1.14 118.95 122.48 2be3 s ARG 117 Ca 0.75 -0.53 -0.31 0.00 -0.52 0.00 0.00 55.73 55.12 2be3 s ARG 117 Cb -0.54 -1.41 0.15 0.00 0.52 0.00 0.00 34.95 33.68 2be3 s ARG 117 CO 0.34 0.20 1.18 0.45 0.02 0.00 0.00 175.30 177.49 2be3 s SER 118 N 0.13 -0.19 -0.24 0.23 0.15 -1.14 -4.86 113.70 107.79 2be3 s SER 118 Ca -0.05 0.16 -0.07 0.00 0.70 0.00 0.00 55.95 56.69 2be3 s SER 118 Cb -0.11 0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 2be3 s SER 118 CO 0.02 -0.21 0.05 -0.47 1.20 0.00 0.00 173.24 173.84 2be3 s TYR 119 N -1.42 3.08 -0.21 3.44 5.04 0.15 -0.85 117.35 126.58 2be3 s TYR 119 Ca 0.05 -0.44 -0.08 0.00 -2.44 0.00 0.00 57.07 54.16 2be3 s TYR 119 Cb -0.01 -2.20 -0.04 0.00 0.35 0.00 0.00 41.96 40.06 2be3 s TYR 119 CO -0.04 -0.33 0.08 -1.01 -1.34 0.00 0.00 175.55 172.91 2be3 s HIS 120 N 1.46 3.21 -0.21 4.97 3.76 0.34 0.25 115.29 129.06 2be3 s HIS 120 Ca 0.05 -0.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.94 2be3 s HIS 120 Cb -0.15 -2.16 0.04 0.00 1.11 0.00 0.00 32.58 31.42 2be3 s HIS 120 CO 0.03 -0.02 -0.16 0.54 -0.85 0.00 0.00 174.74 174.29 2be3 s VAL 121 N 0.87 2.04 -0.18 -0.90 0.11 0.80 -0.55 120.40 122.59 2be3 s VAL 121 Ca 0.04 -1.19 -0.12 0.00 -2.93 0.00 0.00 61.98 57.78 2be3 s VAL 121 Cb -0.14 -1.98 -0.05 0.00 -1.53 0.00 0.00 36.38 32.68 2be3 s VAL 121 CO 0.03 0.30 0.23 -0.69 -3.33 0.00 0.00 175.10 171.63 2be3 s VAL 122 N 1.24 5.34 0.06 2.04 1.01 0.88 0.02 120.40 130.99 2be3 s VAL 122 Ca -0.01 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.42 2be3 s VAL 122 Cb -0.16 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2be3 s VAL 122 CO -0.10 0.40 -0.13 0.68 0.00 0.00 0.00 175.10 175.95 2be3 s VAL 123 N 0.50 1.03 0.12 2.92 -7.23 -0.24 0.25 120.40 117.76 2be3 s VAL 123 Ca 0.13 -1.19 -0.25 0.00 -1.81 0.00 0.00 61.98 58.86 2be3 s VAL 123 Cb -0.12 -0.99 -0.07 0.00 0.56 0.00 0.00 36.38 35.76 2be3 s VAL 123 CO 0.02 -0.19 0.78 -1.61 -0.31 0.00 0.00 175.10 173.79 2be3 s GLU 124 N -1.56 4.54 -0.01 4.82 2.02 -0.22 -0.91 118.70 127.39 2be3 s GLU 124 Ca -0.02 1.13 0.01 0.00 0.02 0.00 0.00 54.97 56.11 2be3 s GLU 124 Cb -0.09 -3.30 0.01 0.00 0.10 0.00 0.00 34.13 30.84 2be3 s GLU 124 CO 0.02 0.46 -0.02 -0.47 0.02 0.00 0.00 175.26 175.27 2be3 s TYR 125 N -0.74 0.30 -0.07 1.61 5.04 -0.36 -1.91 117.35 121.23 2be3 s TYR 125 Ca 0.37 -0.04 0.02 0.00 -2.44 0.00 0.00 57.07 54.98 2be3 s TYR 125 Cb -0.22 -0.27 -0.03 0.00 0.35 0.00 0.00 41.96 41.80 2be3 s TYR 125 CO 0.25 -0.05 -0.10 0.99 -1.34 0.00 0.00 175.55 175.30 2be3 s THR 126 N 0.30 3.41 -0.05 4.34 2.01 -1.26 -0.88 115.64 123.52 2be3 s THR 126 Ca -0.03 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.45 2be3 s THR 126 Cb -0.06 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 2be3 s THR 126 CO -0.01 0.58 -0.23 0.54 -0.69 0.00 0.00 174.62 174.82 2be3 s VAL 127 N -0.63 1.88 -0.16 3.82 0.11 0.59 -4.95 120.40 121.07 2be3 s VAL 127 Ca 0.09 -0.98 -0.17 0.00 -2.93 0.00 0.00 61.98 58.00 2be3 s VAL 127 Cb -0.11 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 2be3 s VAL 127 CO 0.01 0.53 0.42 -1.81 -3.33 0.00 0.00 175.10 170.92 2be3 s ASP 128 N -0.16 6.56 0.34 3.54 1.01 -1.26 -1.33 116.67 125.36 2be3 s ASP 128 Ca -0.02 0.66 0.06 0.00 0.71 0.00 0.00 52.55 53.96 2be3 s ASP 128 Cb -0.13 -2.25 -0.07 0.00 1.01 0.00 0.00 42.92 41.49 2be3 s ASP 128 CO 0.03 -0.02 -0.01 0.42 0.21 0.00 0.00 175.17 175.80 2be3 s THR 129 N 0.87 1.68 -0.51 -1.27 -4.23 -1.00 -4.96 115.64 106.23 2be3 s THR 129 Ca 0.22 -2.06 0.21 0.00 -1.18 0.00 0.00 61.69 58.88 2be3 s THR 129 Cb -0.15 -2.73 0.22 0.00 1.34 0.00 0.00 72.50 71.18 2be3 s THR 129 CO 0.08 -0.11 1.65 2.30 -0.54 0.00 0.00 174.62 177.99 2be3 n ILE 130 N -0.75 0.93 -0.95 2.99 -5.35 -1.26 -1.35 119.36 113.62 2be3 n ILE 130 Ca -0.04 0.34 0.06 0.00 -0.27 0.00 0.00 62.75 62.84 2be3 n ILE 130 Cb 0.65 -1.27 0.36 0.00 -1.74 0.00 0.00 39.64 37.64 2be3 n ILE 130 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2be3 n ASN 131 N -2.13 5.11 0.00 7.28 5.03 -1.26 -5.07 115.26 124.23 2be3 n ASN 131 Ca 0.01 -3.00 0.00 0.00 0.87 0.00 0.00 54.58 52.47 2be3 n ASN 131 Cb 0.18 -0.65 0.00 0.00 -1.02 0.00 0.00 39.78 38.29 2be3 n ASN 131 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2be3 n GLY 132 N 0.21 0.70 3.77 7.41 0.00 -0.46 -5.00 105.19 111.81 2be3 n GLY 132 Ca 0.27 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 2be3 n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2be3 s ALA 133 N -2.24 3.20 -0.04 4.61 0.00 -1.26 -2.36 121.76 123.67 2be3 s ALA 133 Ca 0.00 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 2be3 s ALA 133 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.65 2be3 s ALA 133 CO 0.00 -0.89 0.03 0.15 0.00 0.00 0.00 175.76 175.05 2be3 s LYS 134 N -2.35 0.18 -0.21 0.00 3.01 -0.44 -4.94 119.74 114.99 2be3 s LYS 134 Ca 0.59 0.22 -0.09 0.00 -1.01 0.00 0.00 55.97 55.68 2be3 s LYS 134 Cb -0.38 -0.58 -0.04 0.00 -1.01 0.00 0.00 37.83 35.82 2be3 s LYS 134 CO 0.48 -0.26 0.10 0.99 0.51 0.00 0.00 175.35 177.18 2be3 s THR 135 N 1.71 4.94 0.30 2.17 2.01 -1.26 -0.30 115.64 125.21 2be3 s THR 135 Ca -0.00 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.08 2be3 s THR 135 Cb -0.13 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 2be3 s THR 135 CO -0.03 0.40 -0.01 0.27 -0.69 0.00 0.00 174.62 174.57 2be3 s ILE 136 N 0.77 1.44 0.14 1.82 -5.25 -0.05 -4.96 121.20 115.10 2be3 s ILE 136 Ca 0.05 -2.06 -0.07 0.00 -0.99 0.00 0.00 60.65 57.58 2be3 s ILE 136 Cb -0.13 -2.60 -0.06 0.00 2.95 0.00 0.00 42.46 42.62 2be3 s ILE 136 CO 0.02 -0.18 0.42 -0.76 -1.79 0.00 0.00 174.94 172.65 2be3 s LEU 137 N -3.46 4.27 0.01 0.37 1.02 -1.26 -1.22 118.68 118.40 2be3 s LEU 137 Ca 0.32 0.71 0.00 0.00 0.02 0.00 0.00 54.13 55.18 2be3 s LEU 137 Cb 0.06 -3.29 -0.01 0.00 0.02 0.00 0.00 46.19 42.97 2be3 s LEU 137 CO 0.13 0.06 -0.01 0.00 0.02 0.00 0.00 176.35 176.55 2be3 s ALA 138 N -1.62 0.06 -0.23 4.21 0.00 -0.09 -4.36 121.76 119.74 2be3 s ALA 138 Ca 0.40 -0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.03 2be3 s ALA 138 Cb -0.12 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2be3 s ALA 138 CO 0.22 -0.07 0.06 -2.00 0.00 0.00 0.00 175.76 173.97 2be3 s GLU 139 N -0.63 3.73 -0.28 0.00 2.12 -0.16 -1.08 118.70 122.41 2be3 s GLU 139 Ca -0.07 -0.45 -0.08 0.00 0.36 0.00 0.00 54.97 54.73 2be3 s GLU 139 Cb -0.04 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 2be3 s GLU 139 CO -0.00 -0.04 0.09 0.42 -0.54 0.00 0.00 175.26 175.19 2be3 s ILE 140 N 1.21 4.30 -0.28 -3.70 1.01 0.10 -0.70 121.20 123.14 2be3 s ILE 140 Ca 0.04 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 2be3 s ILE 140 Cb -0.14 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2be3 s ILE 140 CO 0.03 0.21 0.16 -1.10 0.00 0.00 0.00 174.94 174.24 2be3 s GLN 141 N 1.59 3.72 -0.15 2.79 -0.21 0.28 -0.14 119.66 127.54 2be3 s GLN 141 Ca 0.05 -0.47 -0.11 0.00 0.02 0.00 0.00 55.36 54.85 2be3 s GLN 141 Cb -0.16 -3.57 -0.05 0.00 1.00 0.00 0.00 33.01 30.23 2be3 s GLN 141 CO 0.04 -0.25 0.21 0.42 -2.12 0.00 0.00 175.29 173.59 2be3 s ILE 142 N 1.69 5.36 0.10 1.08 1.01 0.14 -0.23 121.20 130.35 2be3 s ILE 142 Ca 0.06 0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.91 2be3 s ILE 142 Cb -0.16 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.82 2be3 s ILE 142 CO 0.08 0.47 0.44 0.00 0.00 0.00 0.00 174.94 175.93 2be3 s ARG 143 N -0.01 1.05 0.86 2.79 1.70 -0.46 0.34 118.95 125.22 2be3 s ARG 143 Ca 0.14 -0.56 -0.12 0.00 -0.47 0.00 0.00 55.73 54.72 2be3 s ARG 143 Cb -0.12 0.47 0.11 0.00 -0.57 0.00 0.00 34.95 34.83 2be3 s ARG 143 CO 0.03 -0.41 1.10 0.95 -1.08 0.00 0.00 175.30 175.89 2be3 s THR 144 N -3.37 2.71 0.23 4.99 -4.23 -1.26 -1.43 115.64 113.28 2be3 s THR 144 Ca 0.00 0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.67 2be3 s THR 144 Cb 0.01 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 71.16 2be3 s THR 144 CO -0.09 -0.30 1.84 -0.07 -0.54 0.00 0.00 174.62 175.46 2be3 h LEU 145 N -1.35 0.74 -1.23 4.79 3.38 -1.67 0.10 115.31 120.07 2be3 h LEU 145 Ca -0.49 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2be3 h LEU 145 Cb 1.29 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2be3 h LEU 145 CO 0.58 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.59 2be3 n ALA 146 N -2.35 1.45 0.00 1.53 0.00 -1.26 -0.46 120.51 119.41 2be3 n ALA 146 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2be3 n ALA 146 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2be3 n ALA 146 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2be3 n ASN 148 N 0.49 0.00 -0.10 0.00 2.85 0.36 -2.08 115.26 116.78 2be3 n ASN 148 Ca 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.40 2be3 n ASN 148 Cb 0.07 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.10 2be3 n ASN 148 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2be3 h PHE 149 N 0.00 0.26 -0.01 1.20 3.57 -1.01 -1.63 116.94 119.32 2be3 h PHE 149 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2be3 h PHE 149 Cb 0.00 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 2be3 h PHE 149 CO 0.00 0.13 -0.02 2.35 -2.23 0.00 0.00 178.31 178.54 2be3 h TRP 150 N 0.30 0.04 -0.71 0.41 7.01 -1.69 -3.05 115.95 118.26 2be3 h TRP 150 Ca 0.15 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 2be3 h TRP 150 Cb 0.09 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.11 2be3 h TRP 150 CO -0.12 0.58 0.35 0.00 -2.79 0.00 0.00 178.44 176.46 2be3 h ALA 151 N 0.45 1.28 -0.25 2.65 0.00 -1.84 -0.24 119.26 121.31 2be3 h ALA 151 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2be3 h ALA 151 Cb 0.57 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2be3 h ALA 151 CO 0.00 0.56 0.13 1.15 0.00 0.00 0.00 179.25 181.09 2be3 h THR 152 N 1.00 1.14 -0.13 0.00 2.02 -1.34 0.15 112.91 115.75 2be3 h THR 152 Ca 0.25 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 2be3 h THR 152 Cb 0.09 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2be3 h THR 152 CO -0.03 0.13 -0.14 0.40 0.37 0.00 0.00 175.52 176.25 2be3 h ILE 153 N 0.28 1.36 -0.43 3.11 2.04 -1.40 -2.14 117.51 120.32 2be3 h ILE 153 Ca 0.09 -1.32 0.07 0.00 1.00 0.00 0.00 64.86 64.69 2be3 h ILE 153 Cb 0.10 1.94 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 2be3 h ILE 153 CO -0.01 0.38 0.09 -0.08 0.00 0.00 0.00 178.15 178.53 2be3 h GLU 154 N -0.08 0.22 -0.64 2.37 4.22 -1.00 -1.36 114.58 118.32 2be3 h GLU 154 Ca 0.02 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.50 2be3 h GLU 154 Cb 0.68 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 2be3 h GLU 154 CO 0.03 0.14 0.35 1.25 -2.18 0.00 0.00 179.01 178.61 2be3 h HIS 155 N 0.23 0.65 -0.37 0.92 2.76 -0.64 -1.57 115.15 117.12 2be3 h HIS 155 Ca 0.21 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.33 2be3 h HIS 155 Cb 0.25 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 2be3 h HIS 155 CO -0.20 0.31 -0.04 0.77 -1.30 0.00 0.00 177.93 177.47 2be3 h SER 156 N 0.66 0.68 -0.52 3.26 0.02 -0.97 -1.82 113.55 114.84 2be3 h SER 156 Ca 0.28 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2be3 h SER 156 Cb 0.17 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2be3 h SER 156 CO -0.17 0.85 0.34 -0.07 -1.14 0.00 0.00 176.83 176.64 2be3 h LEU 157 N 0.49 0.57 0.36 5.07 3.38 -1.15 -1.14 115.31 122.90 2be3 h LEU 157 Ca 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2be3 h LEU 157 Cb 0.53 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2be3 h LEU 157 CO 0.03 0.41 -0.41 0.78 0.09 0.00 0.00 178.44 179.34 2be3 h ASN 158 N 0.68 -1.15 -0.96 -0.43 2.35 -1.27 -1.26 115.58 113.54 2be3 h ASN 158 Ca 0.20 0.10 0.22 0.00 -0.55 0.00 0.00 56.30 56.26 2be3 h ASN 158 Cb -0.05 0.39 -0.08 0.00 0.05 0.00 0.00 38.32 38.63 2be3 h ASN 158 CO -0.06 -0.53 0.62 0.22 -1.65 0.00 0.00 177.43 176.04 2be3 h TYR 159 N -0.79 0.67 0.00 1.19 5.03 -1.24 0.20 116.97 122.03 2be3 h TYR 159 Ca -0.04 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2be3 h TYR 159 Cb 0.69 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.77 2be3 h TYR 159 CO -0.25 0.14 0.00 1.17 -1.32 0.00 0.00 178.16 177.90 2be3 n LYS 160 N -4.58 0.26 0.00 1.82 4.81 -0.44 -4.81 118.16 115.22 2be3 n LYS 160 Ca 0.22 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 2be3 n LYS 160 Cb 0.72 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.97 2be3 n LYS 160 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2be3 n TYR 161 N -2.26 0.00 -0.39 5.64 9.36 0.71 -5.08 117.16 125.14 2be3 n TYR 161 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 2be3 n TYR 161 Cb 0.42 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.13 2be3 n TYR 161 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2be3 n GLN 162 N 0.00 0.00 -1.57 2.98 3.00 -1.24 -5.08 117.38 115.47 2be3 n GLN 162 Ca 0.00 0.00 -0.51 0.00 -0.01 0.00 0.00 57.00 56.48 2be3 n GLN 162 Cb 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 30.24 30.05 2be3 n GLN 162 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2be3 n ASP 164 N 0.11 1.19 -4.64 1.08 8.00 -1.26 -5.17 116.55 115.86 2be3 n ASP 164 Ca 0.00 1.13 -0.40 0.00 0.71 0.00 0.00 54.79 56.23 2be3 n ASP 164 Cb 0.00 -1.16 0.02 0.00 -0.02 0.00 0.00 41.12 39.97 2be3 n ASP 164 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2be3 n PHE 165 N 1.85 1.40 -0.87 1.24 3.72 -1.26 -4.97 117.46 118.57 2be3 n PHE 165 Ca 0.17 0.51 -0.33 0.00 -0.05 0.00 0.00 57.45 57.75 2be3 n PHE 165 Cb 0.20 -2.25 0.13 0.00 -0.94 0.00 0.00 39.48 36.62 2be3 n PHE 165 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2be3 n PRO 166 N -0.19 -0.19 -0.27 -1.08 -0.02 -1.26 -4.76 135.00 127.24 2be3 n PRO 166 Ca 0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.53 2be3 n PRO 166 Cb 0.41 -2.06 0.06 0.00 -0.02 0.00 0.00 33.50 31.89 2be3 n PRO 166 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2be3 h ASP 167 N -1.40 0.89 -0.19 2.55 3.45 -1.99 -1.95 116.42 117.77 2be3 h ASP 167 Ca -0.44 -0.07 0.02 0.00 0.43 0.00 0.00 57.03 56.97 2be3 h ASP 167 Cb 1.29 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.83 2be3 h ASP 167 CO 0.39 0.70 0.13 -0.08 -1.57 0.00 0.00 179.24 178.80 2be3 h GLU 168 N 1.01 0.17 0.17 3.56 4.22 -1.99 0.54 114.58 122.26 2be3 h GLU 168 Ca 0.26 -0.01 -0.26 0.00 0.08 0.00 0.00 59.36 59.43 2be3 h GLU 168 Cb -0.02 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.22 2be3 h GLU 168 CO -0.05 0.11 -1.14 0.82 -2.18 0.00 0.00 179.01 176.58 2be3 h ILE 169 N 0.17 1.37 -0.87 2.32 1.08 -1.78 -2.52 117.51 117.29 2be3 h ILE 169 Ca 0.08 -2.55 0.03 0.00 -0.39 0.00 0.00 64.86 62.03 2be3 h ILE 169 Cb 0.10 3.00 -0.05 0.00 -3.07 0.00 0.00 36.82 36.81 2be3 h ILE 169 CO -0.01 0.75 0.57 0.50 -0.69 0.00 0.00 178.15 179.26 2be3 h LYS 170 N -0.03 1.09 -0.59 2.37 3.64 -0.80 -0.96 116.57 121.29 2be3 h LYS 170 Ca -0.19 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 2be3 h LYS 170 Cb 1.88 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 33.43 2be3 h LYS 170 CO 0.22 0.72 0.21 0.87 -2.27 0.00 0.00 179.45 179.19 2be3 h LYS 171 N 1.12 0.89 -0.38 1.90 1.79 -0.92 -1.57 116.57 119.40 2be3 h LYS 171 Ca 0.34 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 58.54 2be3 h LYS 171 Cb -0.03 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 2be3 h LYS 171 CO -0.11 0.78 -0.16 0.00 -1.08 0.00 0.00 179.45 178.89 2be3 h ARG 172 N 0.82 0.71 -0.42 3.15 3.08 -0.97 -0.68 114.38 120.07 2be3 h ARG 172 Ca 0.19 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 2be3 h ARG 172 Cb 0.24 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2be3 h ARG 172 CO -0.01 0.83 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.61 2be3 h LEU 173 N 0.64 0.67 -0.32 3.04 3.38 -1.12 -1.69 115.31 119.91 2be3 h LEU 173 Ca 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2be3 h LEU 173 Cb 0.63 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2be3 h LEU 173 CO 0.04 0.77 0.11 -0.08 0.09 0.00 0.00 178.44 179.37 2be3 h GLU 174 N 0.65 0.49 -0.24 1.13 4.81 -0.67 -2.34 114.58 118.41 2be3 h GLU 174 Ca 0.12 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2be3 h GLU 174 Cb 0.47 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2be3 h GLU 174 CO 0.02 0.53 0.13 0.82 -0.73 0.00 0.00 179.01 179.77 2be3 h ILE 175 N 0.36 1.01 -0.15 2.32 2.04 -0.96 -1.01 117.51 121.13 2be3 h ILE 175 Ca 0.10 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2be3 h ILE 175 Cb 0.23 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2be3 h ILE 175 CO -0.00 0.05 0.03 0.71 0.00 0.00 0.00 178.15 178.94 2be3 h THR 176 N 0.26 1.08 -0.33 -0.27 1.35 -1.29 -1.40 112.91 112.31 2be3 h THR 176 Ca 0.10 -0.26 -0.16 0.00 -0.55 0.00 0.00 66.41 65.53 2be3 h THR 176 Cb 0.01 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 2be3 h THR 176 CO -0.06 0.09 -0.42 0.00 -0.25 0.00 0.00 175.52 174.89 2be3 h ALA 177 N 1.84 0.63 -0.44 6.62 0.00 -0.99 -0.18 119.26 126.74 2be3 h ALA 177 Ca 0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2be3 h ALA 177 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2be3 h ALA 177 CO -0.00 0.67 0.24 -0.09 0.00 0.00 0.00 179.25 180.07 2be3 h ARG 178 N 0.67 0.62 -0.36 0.00 2.43 -0.49 -2.25 114.38 115.00 2be3 h ARG 178 Ca 0.05 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 2be3 h ARG 178 Cb 0.99 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2be3 h ARG 178 CO 0.10 0.50 -0.43 0.82 -1.51 0.00 0.00 179.97 179.45 2be3 h ILE 179 N 0.58 1.27 -0.81 1.20 2.04 -1.20 -2.37 117.51 118.21 2be3 h ILE 179 Ca 0.15 -1.60 0.13 0.00 1.00 0.00 0.00 64.86 64.55 2be3 h ILE 179 Cb 0.07 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 2be3 h ILE 179 CO -0.02 0.53 0.53 0.00 0.00 0.00 0.00 178.15 179.19 2be3 h ALA 180 N 0.77 1.93 -0.06 1.87 0.00 -0.87 -1.20 119.26 121.70 2be3 h ALA 180 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2be3 h ALA 180 Cb 1.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2be3 h ALA 180 CO 0.10 -0.14 -0.27 1.25 0.00 0.00 0.00 179.25 180.20 2be3 h HIS 181 N 0.58 0.39 -1.00 0.00 -0.00 -1.21 -2.18 115.15 111.74 2be3 h HIS 181 Ca 0.39 -0.17 0.24 0.00 -0.00 0.00 0.00 60.37 60.84 2be3 h HIS 181 Cb 0.70 -0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 27.97 2be3 h HIS 181 CO -0.00 0.89 0.65 1.96 -0.00 0.00 0.00 177.93 181.43 2be3 h GLN 182 N -0.23 0.40 -0.23 5.26 4.20 -1.21 0.11 115.11 123.42 2be3 h GLN 182 Ca -0.02 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 2be3 h GLN 182 Cb 0.92 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2be3 h GLN 182 CO 0.06 0.26 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.34 2be3 h LEU 183 N 0.41 0.45 -0.50 1.46 3.38 -0.92 -0.15 115.31 119.44 2be3 h LEU 183 Ca 0.56 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 58.21 2be3 h LEU 183 Cb 1.39 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 2be3 h LEU 183 CO -0.26 0.72 0.19 0.44 0.09 0.00 0.00 178.44 179.63 2be3 h ASP 184 N 0.17 0.21 -0.09 -0.43 3.32 -0.81 -2.70 116.42 116.09 2be3 h ASP 184 Ca 0.06 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.18 2be3 h ASP 184 Cb 0.53 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2be3 h ASP 184 CO 0.02 0.15 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.36 2be3 h GLU 185 N 0.38 0.02 -1.41 3.56 5.08 -0.85 0.35 114.58 121.71 2be3 h GLU 185 Ca 0.24 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2be3 h GLU 185 Cb 0.23 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2be3 h GLU 185 CO -0.23 0.01 0.00 -1.91 -1.00 0.00 0.00 179.01 175.88 2be3 n GLU 186 N -5.12 0.13 0.00 2.33 4.07 -0.08 -0.83 120.64 121.14 2be3 n GLU 186 Ca -0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 2be3 n GLU 186 Cb 0.07 -1.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 2be3 n GLU 186 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2be3 n GLY 188 N 0.80 0.00 0.31 8.31 0.00 0.11 -0.55 105.19 114.17 2be3 n GLY 188 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2be3 n GLY 188 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2be3 h GLU 189 N 0.00 0.91 -0.32 1.61 4.39 -1.24 -1.60 114.58 118.34 2be3 h GLU 189 Ca 0.00 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 2be3 h GLU 189 Cb 0.00 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2be3 h GLU 189 CO 0.00 0.83 0.09 0.82 -1.16 0.00 0.00 179.01 179.59 2be3 h ILE 190 N 0.87 1.21 -0.28 3.13 2.04 -1.09 -0.01 117.51 123.38 2be3 h ILE 190 Ca 0.18 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.39 2be3 h ILE 190 Cb 0.35 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2be3 h ILE 190 CO 0.00 0.23 0.05 -0.09 0.00 0.00 0.00 178.15 178.34 2be3 h ARG 191 N 0.36 0.14 0.17 2.37 1.12 -1.79 -1.23 114.38 115.51 2be3 h ARG 191 Ca 0.10 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.96 2be3 h ARG 191 Cb 0.27 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 2be3 h ARG 191 CO -0.00 0.09 -0.12 -0.44 -3.11 0.00 0.00 179.97 176.39 2be3 h ASP 192 N 0.15 -0.31 0.33 -3.80 3.32 -1.21 -2.61 116.42 112.29 2be3 h ASP 192 Ca 0.13 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2be3 h ASP 192 Cb 0.14 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2be3 h ASP 192 CO -0.18 -0.19 -0.03 0.44 -1.72 0.00 0.00 179.24 177.56 2be3 h ASP 193 N -0.29 0.00 0.19 6.45 3.32 -0.78 0.13 116.42 125.45 2be3 h ASP 193 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2be3 h ASP 193 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2be3 h ASP 193 CO -0.00 0.03 -0.09 0.40 -1.72 0.00 0.00 179.24 177.86 2be3 h ILE 194 N 0.00 0.55 -0.36 0.35 2.04 -0.99 -2.53 117.51 116.57 2be3 h ILE 194 Ca -0.00 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 2be3 h ILE 194 Cb 0.21 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2be3 h ILE 194 CO 0.00 0.15 -0.12 0.06 0.00 0.00 0.00 178.15 178.24 2be3 h GLN 195 N -0.97 0.64 -0.66 2.37 3.07 -1.05 -2.12 115.11 116.40 2be3 h GLN 195 Ca -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 58.65 58.49 2be3 h GLN 195 Cb 0.45 -0.06 -0.03 0.00 0.08 0.00 0.00 27.48 27.92 2be3 h GLN 195 CO 0.04 0.75 0.32 1.49 0.09 0.00 0.00 178.83 181.52 2be3 h GLU 196 N 0.58 0.95 -0.17 0.06 4.81 -0.90 0.12 114.58 120.03 2be3 h GLU 196 Ca 0.10 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2be3 h GLU 196 Cb 0.55 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2be3 h GLU 196 CO 0.03 0.75 0.00 0.00 -0.73 0.00 0.00 179.01 179.07 2be3 n ALA 197 N -2.36 1.92 0.00 2.92 0.00 -0.80 -2.63 120.51 119.56 2be3 n ALA 197 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2be3 n ALA 197 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2be3 n ALA 197 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2be3 n GLN 198 N -0.25 0.00 -0.16 0.00 6.02 -1.00 -4.79 117.38 117.20 2be3 n GLN 198 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 2be3 n GLN 198 Cb 0.04 -0.60 0.01 0.00 1.02 0.00 0.00 30.24 30.71 2be3 n GLN 198 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2be3 h ALA 199 N 0.00 0.73 0.00 -1.58 0.00 -0.56 -3.36 119.26 114.49 2be3 h ALA 199 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2be3 h ALA 199 Cb 0.34 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2be3 h ALA 199 CO 0.00 0.67 -1.57 1.47 0.00 0.00 0.00 179.25 179.82 2be3 n LEU 200 N -4.12 0.00 0.00 0.00 -0.00 -1.08 -5.08 117.00 106.73 2be3 n LEU 200 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 2be3 n LEU 200 Cb 0.44 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 2be3 n LEU 200 CO 0.46 0.03 0.00 2.22 -0.00 0.00 0.00 177.39 180.10