#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 0.91 -0.77 3.22 5.85 -2.06 -2.67 115.31 119.79 2be3 h LEU 3 Ca 0.00 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.31 2be3 h LEU 3 Cb 0.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2be3 h LEU 3 CO 0.00 0.98 -0.41 -0.33 -0.34 0.00 0.00 178.44 178.34 2be3 h GLU 4 N 0.82 0.44 -0.29 1.25 5.08 -2.05 -1.85 114.58 117.98 2be3 h GLU 4 Ca 0.16 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2be3 h GLU 4 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2be3 h GLU 4 CO 0.02 0.77 -0.06 -1.49 -1.00 0.00 0.00 179.01 177.25 2be3 h TRP 5 N 0.36 0.49 -0.11 4.33 4.06 -1.99 -1.48 115.95 121.61 2be3 h TRP 5 Ca 0.03 -0.06 -0.14 0.00 2.06 0.00 0.00 58.89 60.78 2be3 h TRP 5 Cb 0.87 -0.14 0.01 0.00 -1.00 0.00 0.00 29.16 28.90 2be3 h TRP 5 CO 0.03 0.53 -0.48 1.49 -3.56 0.00 0.00 178.44 176.45 2be3 h GLU 6 N 0.44 0.52 -0.20 0.49 4.81 -1.25 -1.74 114.58 117.65 2be3 h GLU 6 Ca 0.09 -0.41 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 2be3 h GLU 6 Cb 0.39 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2be3 h GLU 6 CO 0.02 1.04 -0.16 0.93 -0.73 0.00 0.00 179.01 180.11 2be3 h GLU 7 N 0.13 0.33 -0.11 1.92 5.08 -1.27 -2.55 114.58 118.11 2be3 h GLU 7 Ca -0.03 -0.09 -0.22 0.00 -1.00 0.00 0.00 59.36 58.02 2be3 h GLU 7 Cb 1.12 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.35 2be3 h GLU 7 CO 0.10 0.49 -0.81 0.35 -1.00 0.00 0.00 179.01 178.14 2be3 h PHE 8 N 0.31 1.02 0.00 4.33 3.57 -1.19 -3.35 116.94 121.63 2be3 h PHE 8 Ca 0.06 -0.48 -0.14 0.00 3.53 0.00 0.00 57.97 60.94 2be3 h PHE 8 Cb 0.47 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2be3 h PHE 8 CO 0.01 1.31 -0.69 -0.07 -2.23 0.00 0.00 178.31 176.64 2be3 h LEU 9 N 0.44 0.00 -0.69 0.59 3.38 -1.22 -3.38 115.31 114.44 2be3 h LEU 9 Ca -0.07 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.01 2be3 h LEU 9 Cb 1.45 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.08 2be3 h LEU 9 CO 0.16 0.63 -0.35 0.44 0.09 0.00 0.00 178.44 179.42 2be3 h ASP 10 N 0.00 -1.24 -0.99 -0.43 3.45 -1.59 0.11 116.42 115.73 2be3 h ASP 10 Ca -0.02 0.25 0.17 0.00 0.43 0.00 0.00 57.03 57.86 2be3 h ASP 10 Cb 1.50 0.62 -0.09 0.00 -0.56 0.00 0.00 39.33 40.80 2be3 h ASP 10 CO 0.08 -0.30 0.62 -0.65 -1.57 0.00 0.00 179.24 177.41 2be3 h PRO 11 N -0.13 0.77 -0.17 3.56 0.11 -1.82 0.19 132.00 134.51 2be3 h PRO 11 Ca 0.26 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 2be3 h PRO 11 Cb 0.56 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2be3 h PRO 11 CO -0.75 0.51 -0.02 1.88 -0.21 0.00 0.00 178.00 179.41 2be3 h TYR 12 N 0.79 0.35 -0.28 0.65 0.05 -1.10 0.29 116.97 117.72 2be3 h TYR 12 Ca 0.54 -0.07 0.05 0.00 0.05 0.00 0.00 58.73 59.30 2be3 h TYR 12 Cb 0.79 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 38.39 2be3 h TYR 12 CO -0.00 0.56 -0.03 0.82 -1.05 0.00 0.00 178.16 178.46 2be3 h ILE 13 N 0.04 0.76 -0.11 -2.88 2.04 -0.62 -0.07 117.51 116.67 2be3 h ILE 13 Ca 0.05 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.92 2be3 h ILE 13 Cb 0.43 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2be3 h ILE 13 CO 0.01 0.01 -0.11 -0.61 0.00 0.00 0.00 178.15 177.45 2be3 h GLN 14 N 0.05 -0.13 -0.44 2.37 4.15 -0.51 -1.96 115.11 118.64 2be3 h GLN 14 Ca 0.14 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.59 2be3 h GLN 14 Cb 0.19 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 2be3 h GLN 14 CO -0.25 -0.09 0.24 0.00 -1.93 0.00 0.00 178.83 176.80 2be3 h ALA 15 N 0.93 0.56 -0.42 3.38 0.00 -0.15 -0.89 119.26 122.67 2be3 h ALA 15 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2be3 h ALA 15 Cb 0.25 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2be3 h ALA 15 CO -0.19 -0.09 0.15 0.28 0.00 0.00 0.00 179.25 179.39 2be3 h VAL 16 N 0.49 0.86 -0.16 0.00 2.07 -0.97 0.64 116.25 119.19 2be3 h VAL 16 Ca 0.18 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2be3 h VAL 16 Cb 0.05 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2be3 h VAL 16 CO -0.10 0.06 0.03 1.23 0.02 0.00 0.00 177.57 178.81 2be3 h GLY 17 N 0.31 0.17 0.94 2.17 0.00 -1.10 -0.03 103.07 105.54 2be3 h GLY 17 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 2be3 h GLY 17 CO -0.21 0.00 0.09 0.83 0.00 0.00 0.00 176.54 177.26 2be3 h GLU 18 N 0.10 0.67 -0.50 4.80 5.08 -1.07 -2.93 114.58 120.73 2be3 h GLU 18 Ca 0.07 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 2be3 h GLU 18 Cb 0.06 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2be3 h GLU 18 CO -0.09 0.69 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.40 2be3 h LEU 19 N 0.53 0.99 -0.55 1.33 3.38 -0.70 0.05 115.31 120.34 2be3 h LEU 19 Ca 0.13 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.82 2be3 h LEU 19 Cb 0.33 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 2be3 h LEU 19 CO 0.00 1.13 0.14 0.11 0.09 0.00 0.00 178.44 179.92 2be3 h LYS 20 N 0.84 0.29 -0.38 1.13 1.57 -1.04 0.32 116.57 119.29 2be3 h LYS 20 Ca 0.12 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2be3 h LYS 20 Cb 0.71 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2be3 h LYS 20 CO 0.05 0.19 -0.21 0.82 -0.57 0.00 0.00 179.45 179.73 2be3 h ILE 21 N 0.29 1.28 -0.52 1.86 2.04 -1.27 -2.31 117.51 118.88 2be3 h ILE 21 Ca 0.28 -1.35 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 2be3 h ILE 21 Cb 0.37 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2be3 h ILE 21 CO -0.33 0.45 0.11 0.11 0.00 0.00 0.00 178.15 178.48 2be3 h LYS 22 N 0.62 0.85 -0.49 2.37 1.57 -0.62 -0.65 116.57 120.23 2be3 h LYS 22 Ca 0.08 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 2be3 h LYS 22 Cb 0.77 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2be3 h LYS 22 CO 0.06 0.83 0.03 -0.07 -0.57 0.00 0.00 179.45 179.73 2be3 h LEU 23 N 0.74 0.83 -1.88 2.94 3.38 -0.37 -2.18 115.31 118.77 2be3 h LEU 23 Ca 0.16 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2be3 h LEU 23 Cb 0.37 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2be3 h LEU 23 CO 0.01 0.92 -0.11 0.03 0.09 0.00 0.00 178.44 179.37 2be3 h ARG 24 N 0.72 0.00 0.00 1.13 3.08 -1.37 -2.69 114.38 115.25 2be3 h ARG 24 Ca 0.14 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 2be3 h ARG 24 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2be3 h ARG 24 CO 0.02 0.11 -0.51 0.78 -1.07 0.00 0.00 179.97 179.30 2be3 h GLY 25 N 0.44 0.00 0.74 0.04 0.00 -0.47 -1.36 103.07 102.45 2be3 h GLY 25 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2be3 h GLY 25 CO 0.01 0.00 -0.23 -2.22 0.00 0.00 0.00 176.54 174.10 2be3 h ILE 26 N 0.00 0.50 -0.47 2.60 2.04 -1.18 0.23 117.51 121.22 2be3 h ILE 26 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2be3 h ILE 26 Cb 1.06 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 37.55 2be3 h ILE 26 CO 0.07 0.00 -0.02 -0.09 0.00 0.00 0.00 178.15 178.10 2be3 h ARG 27 N -0.51 0.09 -0.63 2.37 2.43 -1.50 -1.11 114.38 115.52 2be3 h ARG 27 Ca -0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2be3 h ARG 27 Cb 0.47 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2be3 h ARG 27 CO -0.05 0.06 0.37 -0.22 -1.51 0.00 0.00 179.97 178.62 2be3 h LYS 28 N 0.09 0.85 -0.07 0.20 1.63 -0.97 -2.47 116.57 115.83 2be3 h LYS 28 Ca 0.24 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 2be3 h LYS 28 Cb 0.35 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2be3 h LYS 28 CO -0.41 0.61 -0.01 1.96 -3.45 0.00 0.00 179.45 178.15 2be3 h GLN 29 N 0.87 0.13 -0.52 1.90 4.20 0.70 -0.63 115.11 121.76 2be3 h GLN 29 Ca 0.23 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.99 2be3 h GLN 29 Cb -0.02 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.65 2be3 h GLN 29 CO -0.04 0.43 -0.19 1.88 -0.67 0.00 0.00 178.83 180.23 2be3 h TYR 30 N -0.17 -0.46 -0.29 2.96 -1.99 -1.33 -2.06 116.97 113.63 2be3 h TYR 30 Ca 0.02 0.05 -0.09 0.00 2.00 0.00 0.00 58.73 60.71 2be3 h TYR 30 Cb 0.37 0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 2be3 h TYR 30 CO 0.04 -0.28 -0.22 0.00 -0.00 0.00 0.00 178.16 177.70 2be3 h ARG 31 N -0.07 0.53 0.00 4.88 3.08 -1.25 0.83 114.38 122.37 2be3 h ARG 31 Ca 0.24 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2be3 h ARG 31 Cb 0.45 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2be3 h ARG 31 CO -0.57 0.72 -0.29 -0.22 -1.07 0.00 0.00 179.97 178.54 2be3 h LYS 32 N 0.48 0.00 -0.74 0.04 3.64 -0.83 -1.57 116.57 117.59 2be3 h LYS 32 Ca 0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2be3 h LYS 32 Cb 0.64 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2be3 h LYS 32 CO 0.05 0.29 0.01 1.04 -2.27 0.00 0.00 179.45 178.56 2be3 n GLN 33 N -4.00 3.43 -2.71 1.90 6.02 -0.80 -4.90 117.38 116.33 2be3 n GLN 33 Ca -0.02 -1.98 -0.18 0.00 -0.01 0.00 0.00 57.00 54.82 2be3 n GLN 33 Cb 0.35 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.63 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 0.38 -4.60 -4.71 1.08 3.02 -0.59 -4.99 115.26 104.85 2be3 n ASN 34 Ca 0.18 -0.04 -0.26 0.00 -0.03 0.00 0.00 54.58 54.43 2be3 n ASN 34 Cb 0.85 -3.84 -0.07 0.00 -0.61 0.00 0.00 39.78 36.12 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 -5.33 2.56 0.22 3.52 1.02 0.23 -4.88 119.74 117.08 2be3 s LYS 35 Ca 0.13 -1.03 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 2be3 s LYS 35 Cb -0.06 -2.45 -0.09 0.00 -0.52 0.00 0.00 37.83 34.71 2be3 s LYS 35 CO 0.16 0.46 0.98 -1.58 -0.92 0.00 0.00 175.35 174.45 2be3 s HIS 36 N -1.74 3.87 -0.16 3.18 5.65 -1.26 -3.12 115.29 121.71 2be3 s HIS 36 Ca 0.29 1.85 -0.22 0.00 0.25 0.00 0.00 55.06 57.22 2be3 s HIS 36 Cb -0.10 -3.06 -0.03 0.00 -1.18 0.00 0.00 32.58 28.22 2be3 s HIS 36 CO 0.20 0.19 0.65 0.45 -0.65 0.00 0.00 174.74 175.58 2be3 s SER 37 N -0.89 6.78 0.26 9.88 0.15 -1.26 -4.88 113.70 123.73 2be3 s SER 37 Ca 0.43 0.94 -0.03 0.00 0.70 0.00 0.00 55.95 57.99 2be3 s SER 37 Cb -0.27 -2.37 0.42 0.00 -1.71 0.00 0.00 66.02 62.09 2be3 s SER 37 CO 0.33 -0.23 1.84 1.55 1.20 0.00 0.00 173.24 177.94 2be3 h PRO 38 N 7.24 0.93 -6.21 5.44 0.13 -1.96 -3.41 132.00 134.17 2be3 h PRO 38 Ca -0.34 -0.06 -0.56 0.00 -0.87 0.00 0.00 66.00 64.17 2be3 h PRO 38 Cb 1.16 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 2be3 h PRO 38 CO 0.78 0.62 0.81 0.42 -0.23 0.00 0.00 178.00 180.39 2be3 s ILE 39 N -6.02 4.31 -0.25 -3.56 1.01 -1.26 -2.95 121.20 112.48 2be3 s ILE 39 Ca -0.12 1.61 -0.08 0.00 0.00 0.00 0.00 60.65 62.06 2be3 s ILE 39 Cb 0.20 -4.04 -0.16 0.00 0.01 0.00 0.00 42.46 38.48 2be3 s ILE 39 CO 0.80 -0.08 -0.21 -0.62 0.00 0.00 0.00 174.94 174.83 2be3 n GLU 40 N 5.99 0.62 -4.17 2.79 1.02 -1.26 -4.81 120.64 120.82 2be3 n GLU 40 Ca 0.12 0.24 -0.16 0.00 -0.02 0.00 0.00 57.16 57.35 2be3 n GLU 40 Cb 0.46 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 2be3 n GLU 40 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2be3 s PHE 41 N -2.51 0.58 -0.04 -0.32 0.08 -1.26 -5.08 117.98 109.43 2be3 s PHE 41 Ca -0.35 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.54 2be3 s PHE 41 Cb 0.11 -0.36 0.00 0.00 -0.57 0.00 0.00 43.02 42.20 2be3 s PHE 41 CO 0.56 -0.02 -0.12 0.08 -0.10 0.00 0.00 175.22 175.62 2be3 s VAL 42 N -0.40 1.08 0.08 -0.44 1.01 -1.26 -4.43 120.40 116.03 2be3 s VAL 42 Ca -0.00 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2be3 s VAL 42 Cb -0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2be3 s VAL 42 CO -0.00 0.33 -0.08 -0.89 0.00 0.00 0.00 175.10 174.46 2be3 s THR 43 N 0.29 0.70 0.16 3.92 2.01 -0.12 -4.99 115.64 117.62 2be3 s THR 43 Ca -0.07 -1.56 -0.22 0.00 0.31 0.00 0.00 61.69 60.15 2be3 s THR 43 Cb -0.12 -1.22 0.07 0.00 0.01 0.00 0.00 72.50 71.24 2be3 s THR 43 CO 0.02 -0.62 0.58 -0.83 -0.69 0.00 0.00 174.62 173.08 2be3 s GLY 44 N -2.37 -0.57 -0.08 4.40 0.00 -1.26 -0.27 107.32 107.17 2be3 s GLY 44 Ca 0.02 0.42 -0.22 0.00 0.00 0.00 0.00 44.72 44.94 2be3 s GLY 44 CO -0.02 0.11 0.52 1.09 0.00 0.00 0.00 173.10 174.80 2be3 s ARG 45 N -3.76 0.81 0.01 2.90 1.04 -0.53 -5.01 118.95 114.41 2be3 s ARG 45 Ca 0.01 0.25 -0.24 0.00 -1.04 0.00 0.00 55.73 54.72 2be3 s ARG 45 Cb -0.01 0.38 -0.05 0.00 -2.04 0.00 0.00 34.95 33.23 2be3 s ARG 45 CO -0.12 -0.21 0.72 0.08 -0.04 0.00 0.00 175.30 175.72 2be3 s VAL 46 N -0.81 4.83 0.30 4.99 1.01 -1.26 -1.99 120.40 127.46 2be3 s VAL 46 Ca -0.09 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.10 2be3 s VAL 46 Cb -0.03 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.18 2be3 s VAL 46 CO 0.05 0.35 1.60 1.17 0.00 0.00 0.00 175.10 178.28 2be3 n LYS 47 N 2.98 2.72 -2.08 2.72 4.81 0.10 -4.92 118.16 124.48 2be3 n LYS 47 Ca -0.03 0.97 -0.38 0.00 -0.87 0.00 0.00 58.31 58.00 2be3 n LYS 47 Cb 0.51 -2.75 0.01 0.00 0.02 0.00 0.00 35.03 32.81 2be3 n LYS 47 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2be3 s PRO 48 N -0.56 3.54 0.31 1.64 0.02 -1.26 -4.81 135.00 133.88 2be3 s PRO 48 Ca 0.64 1.95 0.07 0.00 0.02 0.00 0.00 61.00 63.68 2be3 s PRO 48 Cb -0.49 -2.37 0.83 0.00 0.02 0.00 0.00 34.50 32.49 2be3 s PRO 48 CO 0.49 -0.78 1.69 0.82 -0.33 0.00 0.00 177.00 178.90 2be3 h ILE 49 N 1.74 0.45 0.17 2.83 2.04 -1.99 -0.13 117.51 122.61 2be3 h ILE 49 Ca -0.50 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.23 2be3 h ILE 49 Cb 1.27 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 2be3 h ILE 49 CO 0.59 0.08 -0.35 -0.08 0.00 0.00 0.00 178.15 178.38 2be3 h GLU 50 N 0.42 -0.59 -0.66 2.37 4.81 -1.99 0.64 114.58 119.58 2be3 h GLU 50 Ca 0.61 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.85 2be3 h GLU 50 Cb 1.21 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 2be3 h GLU 50 CO -0.54 -0.39 0.28 0.77 -0.73 0.00 0.00 179.01 178.39 2be3 h SER 51 N -0.61 0.88 -0.22 1.04 0.02 -1.47 -0.41 113.55 112.78 2be3 h SER 51 Ca 0.02 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2be3 h SER 51 Cb 0.62 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2be3 h SER 51 CO -0.18 0.78 0.14 0.40 -1.14 0.00 0.00 176.83 176.82 2be3 h ILE 52 N 0.95 1.07 -0.62 3.27 2.04 -0.80 -1.38 117.51 122.05 2be3 h ILE 52 Ca 0.23 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 2be3 h ILE 52 Cb 0.16 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2be3 h ILE 52 CO -0.02 0.07 0.26 0.11 0.00 0.00 0.00 178.15 178.57 2be3 h LYS 53 N 0.28 0.89 0.03 2.37 1.57 -0.08 -2.70 116.57 118.93 2be3 h LYS 53 Ca 0.08 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2be3 h LYS 53 Cb -0.00 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2be3 h LYS 53 CO -0.02 0.72 -0.01 1.49 -0.57 0.00 0.00 179.45 181.06 2be3 h GLU 54 N 0.88 -0.04 -1.85 3.15 4.81 -0.93 -1.71 114.58 118.88 2be3 h GLU 54 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2be3 h GLU 54 Cb 0.15 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2be3 h GLU 54 CO -0.02 0.15 0.00 1.17 -0.73 0.00 0.00 179.01 179.58 2be3 n LYS 55 N -5.02 0.17 0.00 1.92 3.00 -0.53 -1.33 118.16 116.37 2be3 n LYS 55 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2be3 n LYS 55 Cb 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 33.74 2be3 n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2be3 n ALA 57 N 1.01 0.00 0.76 3.14 0.00 -0.65 -1.19 120.51 123.59 2be3 n ALA 57 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2be3 n ALA 57 Cb 0.08 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.88 2be3 n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2be3 n ARG 58 N 0.00 0.16 -0.00 0.00 1.74 -0.44 -3.78 116.66 114.34 2be3 n ARG 58 Ca 0.00 0.09 0.04 0.00 -0.77 0.00 0.00 57.85 57.21 2be3 n ARG 58 Cb 0.00 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 2be3 n ARG 58 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2be3 n ARG 59 N -1.90 1.67 -1.29 5.56 5.12 -0.33 -5.02 116.66 120.47 2be3 n ARG 59 Ca 0.05 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2be3 n ARG 59 Cb 0.39 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 2be3 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2be3 n GLY 60 N 1.74 0.92 3.72 -0.13 0.00 -1.25 -5.06 105.19 105.14 2be3 n GLY 60 Ca -0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 2be3 n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2be3 s ILE 61 N -2.00 5.10 0.58 -0.61 1.01 -1.26 -5.05 121.20 118.98 2be3 s ILE 61 Ca 0.00 1.23 0.02 0.00 0.00 0.00 0.00 60.65 61.89 2be3 s ILE 61 Cb 0.00 -3.94 0.06 0.00 0.01 0.00 0.00 42.46 38.59 2be3 s ILE 61 CO 0.00 0.29 0.82 0.42 0.00 0.00 0.00 174.94 176.47 2be3 s THR 62 N 0.69 2.53 0.30 2.92 -4.23 -1.26 -4.60 115.64 111.98 2be3 s THR 62 Ca 0.32 -0.69 -0.01 0.00 -1.18 0.00 0.00 61.69 60.13 2be3 s THR 62 Cb -0.17 -2.83 0.22 0.00 1.34 0.00 0.00 72.50 71.06 2be3 s THR 62 CO 0.15 0.00 1.92 1.88 -0.54 0.00 0.00 174.62 178.02 2be3 h TYR 63 N -0.03 0.93 -0.62 3.99 0.05 -1.99 -1.58 116.97 117.72 2be3 h TYR 63 Ca -0.40 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.34 2be3 h TYR 63 Cb 1.29 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.70 2be3 h TYR 63 CO 0.24 0.66 0.30 0.00 -1.05 0.00 0.00 178.16 178.31 2be3 h ALA 64 N 1.44 1.35 -0.12 3.88 0.00 -2.03 -3.04 119.26 120.74 2be3 h ALA 64 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2be3 h ALA 64 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2be3 h ALA 64 CO -0.04 0.51 0.00 0.25 0.00 0.00 0.00 179.25 179.97 2be3 n THR 65 N -4.35 0.15 -0.19 0.00 -2.24 -1.05 -4.63 114.28 101.96 2be3 n THR 65 Ca 0.06 -0.57 -0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2be3 n THR 65 Cb 0.13 1.29 0.09 0.00 -2.10 0.00 0.00 70.33 69.74 2be3 n THR 65 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2be3 h LEU 66 N 4.01 -0.30 -0.46 3.22 5.85 -1.17 0.67 115.31 127.13 2be3 h LEU 66 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2be3 h LEU 66 Cb 0.87 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2be3 h LEU 66 CO 0.00 -0.12 0.00 -1.84 -0.34 0.00 0.00 178.44 176.14 2be3 n GLU 67 N -5.29 0.21 -0.06 1.25 0.28 -1.26 -2.03 120.64 113.74 2be3 n GLU 67 Ca 0.08 0.35 -0.08 0.00 -0.16 0.00 0.00 57.16 57.35 2be3 n GLU 67 Cb 0.33 -1.85 -0.15 0.00 1.43 0.00 0.00 31.44 31.21 2be3 n GLU 67 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2be3 n HIS 68 N -2.24 0.44 -0.09 -1.84 8.25 0.06 -4.48 115.22 115.33 2be3 n HIS 68 Ca 0.03 0.16 -0.09 0.00 -0.26 0.00 0.00 57.72 57.56 2be3 n HIS 68 Cb 0.30 -1.06 -0.13 0.00 1.12 0.00 0.00 29.99 30.22 2be3 n HIS 68 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2be3 n ASP 69 N -2.85 1.15 -4.55 0.41 8.00 -0.23 -4.86 116.55 113.62 2be3 n ASP 69 Ca -0.24 -0.02 -0.43 0.00 0.71 0.00 0.00 54.79 54.81 2be3 n ASP 69 Cb 1.08 0.69 -0.06 0.00 -0.02 0.00 0.00 41.12 42.82 2be3 n ASP 69 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2be3 s LEU 70 N -5.40 4.26 0.19 0.64 2.96 -0.86 -4.96 118.68 115.50 2be3 s LEU 70 Ca -0.12 -0.05 0.26 0.00 -0.22 0.00 0.00 54.13 54.00 2be3 s LEU 70 Cb 0.05 -2.94 0.84 0.00 0.50 0.00 0.00 46.19 44.64 2be3 s LEU 70 CO 0.65 -0.86 1.78 0.00 -1.32 0.00 0.00 176.35 176.59 2be3 n GLN 71 N 6.61 0.24 -1.28 1.98 6.02 -1.26 -4.21 117.38 125.48 2be3 n GLN 71 Ca 0.02 0.19 0.04 0.00 -0.01 0.00 0.00 57.00 57.24 2be3 n GLN 71 Cb 0.48 -1.77 0.08 0.00 1.02 0.00 0.00 30.24 30.05 2be3 n GLN 71 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2be3 n ASP 72 N -2.19 1.34 -0.23 1.08 5.75 -1.26 -2.89 116.55 118.15 2be3 n ASP 72 Ca 0.06 -2.65 0.02 0.00 -0.01 0.00 0.00 54.79 52.21 2be3 n ASP 72 Cb 0.42 -0.38 0.14 0.00 -1.03 0.00 0.00 41.12 40.27 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 4.92 0.70 -3.56 2.12 2.04 -1.80 -3.35 117.51 118.57 2be3 h ILE 73 Ca -0.14 -0.14 -0.61 0.00 1.00 0.00 0.00 64.86 64.97 2be3 h ILE 73 Cb 1.58 0.27 -0.13 0.00 -0.74 0.00 0.00 36.82 37.80 2be3 h ILE 73 CO 0.09 0.07 -0.27 0.00 0.00 0.00 0.00 178.15 178.03 2be3 s ALA 74 N -6.07 3.57 -0.05 1.87 0.00 -1.26 -0.72 121.76 119.10 2be3 s ALA 74 Ca -0.13 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2be3 s ALA 74 Cb 0.19 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.73 2be3 s ALA 74 CO 0.75 -0.37 -0.12 0.20 0.00 0.00 0.00 175.76 176.23 2be3 s GLY 75 N 1.20 0.73 0.08 0.00 0.00 -0.84 -1.01 107.32 107.48 2be3 s GLY 75 Ca 0.16 -0.40 0.08 0.00 0.00 0.00 0.00 44.72 44.56 2be3 s GLY 75 CO 0.08 0.05 -0.22 1.08 0.00 0.00 0.00 173.10 174.08 2be3 s LEU 76 N 0.51 2.24 -0.13 0.66 1.02 0.25 -1.45 118.68 121.78 2be3 s LEU 76 Ca -0.11 -0.63 0.00 0.00 0.02 0.00 0.00 54.13 53.41 2be3 s LEU 76 Cb -0.14 -1.00 0.02 0.00 0.02 0.00 0.00 46.19 45.10 2be3 s LEU 76 CO 0.03 0.13 -0.11 -0.13 0.02 0.00 0.00 176.35 176.28 2be3 s ARG 77 N -1.62 1.96 0.24 1.70 1.81 0.63 -0.86 118.95 122.82 2be3 s ARG 77 Ca 0.08 -0.43 0.02 0.00 -1.72 0.00 0.00 55.73 53.68 2be3 s ARG 77 Cb -0.10 -1.89 0.02 0.00 -0.45 0.00 0.00 34.95 32.53 2be3 s ARG 77 CO 0.03 -0.25 0.16 0.28 -0.68 0.00 0.00 175.30 174.84 2be3 n VAL 78 N 4.85 0.00 0.00 3.52 0.31 0.73 -0.94 118.33 126.79 2be3 n VAL 78 Ca -0.15 -0.98 0.00 0.00 -0.01 0.00 0.00 64.34 63.20 2be3 n VAL 78 Cb 0.50 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 -1.03 0.00 0.01 2.52 0.24 0.57 -0.94 118.33 119.70 2be3 n VAL 80 Ca -0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 2be3 n VAL 80 Cb 0.28 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.56 2be3 n VAL 80 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 2be3 h GLN 81 N 0.00 -0.09 -6.68 7.34 4.15 -1.84 -3.28 115.11 114.71 2be3 h GLN 81 Ca 0.00 0.01 -0.68 0.00 0.77 0.00 0.00 58.65 58.74 2be3 h GLN 81 Cb 0.00 0.02 -0.21 0.00 0.21 0.00 0.00 27.48 27.50 2be3 h GLN 81 CO 0.00 0.44 -0.81 -0.06 -1.93 0.00 0.00 178.83 176.47 2be3 s PHE 82 N -3.70 2.51 0.26 3.99 0.08 -1.26 -4.72 117.98 115.14 2be3 s PHE 82 Ca -0.15 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 2be3 s PHE 82 Cb 0.01 -1.38 0.56 0.00 -0.57 0.00 0.00 43.02 41.63 2be3 s PHE 82 CO 0.60 0.32 1.64 0.28 -0.10 0.00 0.00 175.22 177.97 2be3 h VAL 83 N 3.76 0.34 0.00 -0.44 2.07 -1.90 0.10 116.25 120.17 2be3 h VAL 83 Ca -0.49 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2be3 h VAL 83 Cb 1.16 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2be3 h VAL 83 CO 0.46 0.03 0.00 0.47 0.02 0.00 0.00 177.57 178.55 2be3 n ASP 84 N -5.28 0.00 0.17 0.57 9.92 -1.26 -1.88 116.55 118.79 2be3 n ASP 84 Ca 0.17 0.23 0.05 0.00 -0.53 0.00 0.00 54.79 54.71 2be3 n ASP 84 Cb 0.57 -0.38 0.22 0.00 -0.64 0.00 0.00 41.12 40.88 2be3 n ASP 84 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2be3 h ASP 85 N 0.00 0.00 -0.25 -2.24 3.32 -1.19 -3.35 116.42 112.72 2be3 h ASP 85 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 2be3 h ASP 85 Cb 0.25 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 2be3 h ASP 85 CO 0.00 0.40 -0.23 0.58 -1.72 0.00 0.00 179.24 178.27 2be3 h VAL 86 N 0.00 0.41 -0.03 -1.35 2.07 -1.40 0.05 116.25 116.00 2be3 h VAL 86 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2be3 h VAL 86 Cb 1.09 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2be3 h VAL 86 CO 0.05 0.00 0.03 0.07 0.02 0.00 0.00 177.57 177.74 2be3 h LYS 87 N -0.23 0.00 -0.25 1.57 2.10 -1.76 -1.21 116.57 116.78 2be3 h LYS 87 Ca 0.14 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.62 2be3 h LYS 87 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2be3 h LYS 87 CO -0.38 0.00 -0.49 0.93 -2.00 0.00 0.00 179.45 177.51 2be3 h GLU 88 N 0.00 0.78 -0.44 0.07 5.08 -1.18 -0.84 114.58 118.05 2be3 h GLU 88 Ca 0.01 -0.50 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 2be3 h GLU 88 Cb 0.07 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2be3 h GLU 88 CO -0.00 1.13 0.05 0.28 -1.00 0.00 0.00 179.01 179.46 2be3 h VAL 89 N 0.52 1.25 -0.81 3.13 2.07 -0.81 -2.53 116.25 119.07 2be3 h VAL 89 Ca 0.01 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.64 2be3 h VAL 89 Cb 1.10 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 2be3 h VAL 89 CO 0.11 0.33 0.50 0.58 0.02 0.00 0.00 177.57 179.10 2be3 h VAL 90 N 0.60 1.04 -0.44 2.57 2.07 -1.17 -0.98 116.25 119.94 2be3 h VAL 90 Ca 0.13 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.39 2be3 h VAL 90 Cb 0.42 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2be3 h VAL 90 CO 0.01 0.17 0.17 0.44 0.02 0.00 0.00 177.57 178.38 2be3 h ASP 91 N 0.92 0.19 -0.64 0.57 3.32 -1.00 -1.44 116.42 118.35 2be3 h ASP 91 Ca 0.35 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 2be3 h ASP 91 Cb 0.14 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 2be3 h ASP 91 CO -0.16 0.14 0.31 0.40 -1.72 0.00 0.00 179.24 178.21 2be3 h ILE 92 N 0.34 1.22 -0.62 0.35 2.04 -1.00 -2.73 117.51 117.10 2be3 h ILE 92 Ca 0.21 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 2be3 h ILE 92 Cb 0.19 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2be3 h ILE 92 CO -0.20 0.26 0.06 -0.07 0.00 0.00 0.00 178.15 178.20 2be3 h LEU 93 N 0.94 1.02 -1.71 1.44 3.38 -0.73 -3.06 115.31 116.59 2be3 h LEU 93 Ca 0.23 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2be3 h LEU 93 Cb 0.11 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2be3 h LEU 93 CO -0.03 1.05 -0.13 0.45 0.09 0.00 0.00 178.44 179.87 2be3 h HIS 94 N 0.96 0.02 0.00 1.13 3.86 -0.99 -2.21 115.15 117.93 2be3 h HIS 94 Ca 0.18 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.37 2be3 h HIS 94 Cb 0.49 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 2be3 h HIS 94 CO 0.04 0.15 -0.13 -0.22 0.86 0.00 0.00 177.93 178.63 2be3 h LYS 95 N 0.02 0.00 -6.67 2.45 3.64 -1.39 -3.46 116.57 111.16 2be3 h LYS 95 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.87 2be3 h LYS 95 Cb 0.24 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2be3 h LYS 95 CO 0.02 0.13 0.48 1.03 -2.27 0.00 0.00 179.45 178.84 2be3 s ARG 96 N -3.73 4.59 0.00 1.90 0.52 -0.83 -4.95 118.95 116.45 2be3 s ARG 96 Ca 0.00 1.73 0.23 0.00 -0.52 0.00 0.00 55.73 57.18 2be3 s ARG 96 Cb 0.10 -3.27 0.48 0.00 0.52 0.00 0.00 34.95 32.78 2be3 s ARG 96 CO 0.59 0.07 1.43 0.00 0.02 0.00 0.00 175.30 177.41 2be3 n GLN 97 N 2.30 2.30 -1.20 3.54 -0.00 -1.26 -4.80 117.38 118.26 2be3 n GLN 97 Ca 0.03 -1.96 -0.25 0.00 -0.00 0.00 0.00 57.00 54.81 2be3 n GLN 97 Cb 0.46 -1.48 0.15 0.00 -0.00 0.00 0.00 30.24 29.37 2be3 n GLN 97 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2be3 n ASP 98 N 1.20 4.61 -3.68 2.61 5.75 -1.26 -5.14 116.55 120.64 2be3 n ASP 98 Ca 0.18 -3.58 -0.13 0.00 -0.01 0.00 0.00 54.79 51.25 2be3 n ASP 98 Cb 0.54 -0.86 -0.13 0.00 -1.03 0.00 0.00 41.12 39.64 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 -3.26 0.17 -0.41 0.11 3.52 -0.46 -4.47 118.95 114.15 2be3 s ARG 100 Ca 0.56 0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 56.57 2be3 s ARG 100 Cb 0.46 -0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.82 2be3 s ARG 100 CO 0.08 -0.25 1.13 0.42 -0.81 0.00 0.00 175.30 175.87 2be3 s ILE 101 N 2.10 4.30 -0.11 4.11 1.01 -1.26 0.26 121.20 131.60 2be3 s ILE 101 Ca -0.02 1.40 0.21 0.00 0.00 0.00 0.00 60.65 62.24 2be3 s ILE 101 Cb -0.12 -4.51 -0.32 0.00 0.01 0.00 0.00 42.46 37.52 2be3 s ILE 101 CO -0.09 -0.80 0.50 2.30 0.00 0.00 0.00 174.94 176.85 2be3 n ILE 102 N 6.49 0.00 -3.62 2.92 -5.35 -0.30 -4.97 119.36 114.53 2be3 n ILE 102 Ca 0.12 -0.44 -0.14 0.00 -0.27 0.00 0.00 62.75 62.03 2be3 n ILE 102 Cb 0.48 0.11 -0.07 0.00 -1.74 0.00 0.00 39.64 38.43 2be3 n ILE 102 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2be3 s GLN 103 N -3.40 0.84 0.01 6.28 0.74 -1.14 -5.01 119.66 117.98 2be3 s GLN 103 Ca -0.06 0.91 0.07 0.00 0.05 0.00 0.00 55.36 56.33 2be3 s GLN 103 Cb 0.14 0.41 -0.02 0.00 1.10 0.00 0.00 33.01 34.63 2be3 s GLN 103 CO 0.87 -0.12 -0.21 -1.21 -0.55 0.00 0.00 175.29 174.06 2be3 s GLU 104 N 0.23 1.62 -0.08 1.67 2.02 -1.26 -0.89 118.70 122.00 2be3 s GLU 104 Ca -0.01 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 54.13 2be3 s GLU 104 Cb -0.05 -1.64 0.03 0.00 0.10 0.00 0.00 34.13 32.57 2be3 s GLU 104 CO 0.01 0.44 -0.03 1.03 0.02 0.00 0.00 175.26 176.74 2be3 s ARG 105 N -0.77 0.93 -0.78 1.61 0.52 0.10 -4.98 118.95 115.58 2be3 s ARG 105 Ca 0.08 -0.02 -0.12 0.00 -0.52 0.00 0.00 55.73 55.15 2be3 s ARG 105 Cb -0.09 -1.17 0.21 0.00 0.52 0.00 0.00 34.95 34.42 2be3 s ARG 105 CO 0.00 -0.28 0.70 0.34 0.02 0.00 0.00 175.30 176.08 2be3 s ASP 106 N 1.83 6.50 -0.17 0.23 2.15 -1.26 -0.77 116.67 125.17 2be3 s ASP 106 Ca 0.04 -2.66 0.12 0.00 0.43 0.00 0.00 52.55 50.47 2be3 s ASP 106 Cb -0.12 -2.15 0.65 0.00 -0.30 0.00 0.00 42.92 40.99 2be3 s ASP 106 CO -0.06 -0.56 1.49 -1.22 -0.17 0.00 0.00 175.17 174.66 2be3 n TYR 107 N 3.97 1.60 -0.08 -5.34 4.01 -0.28 -1.75 117.16 119.30 2be3 n TYR 107 Ca 0.11 -0.56 -0.06 0.00 -0.16 0.00 0.00 57.90 57.23 2be3 n TYR 107 Cb 0.45 -0.40 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 2be3 n TYR 107 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2be3 n ILE 108 N 0.56 1.42 -0.19 -0.72 5.41 -1.11 -3.04 119.36 121.69 2be3 n ILE 108 Ca 0.22 0.19 -0.06 0.00 1.00 0.00 0.00 62.75 64.10 2be3 n ILE 108 Cb 0.97 -2.36 0.03 0.00 -0.71 0.00 0.00 39.64 37.57 2be3 n ILE 108 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2be3 h THR 109 N -0.98 1.13 -2.62 1.39 2.02 -1.91 -3.21 112.91 108.74 2be3 h THR 109 Ca 0.00 -0.25 -0.75 0.00 0.77 0.00 0.00 66.41 66.18 2be3 h THR 109 Cb 0.69 0.33 -0.32 0.00 -1.74 0.00 0.00 68.15 67.11 2be3 h THR 109 CO 0.00 0.14 0.40 1.41 0.37 0.00 0.00 175.52 177.84 2be3 n HIS 110 N -4.71 2.74 -1.70 3.16 8.25 -0.71 -5.05 115.22 117.20 2be3 n HIS 110 Ca 0.04 -3.03 -0.44 0.00 -0.26 0.00 0.00 57.72 54.02 2be3 n HIS 110 Cb 0.03 -1.03 -0.03 0.00 1.12 0.00 0.00 29.99 30.08 2be3 n HIS 110 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2be3 n ARG 111 N 0.94 2.33 -1.31 -0.41 0.63 -1.22 -4.27 116.66 113.35 2be3 n ARG 111 Ca 0.30 0.83 -0.33 0.00 -0.92 0.00 0.00 57.85 57.73 2be3 n ARG 111 Cb 0.34 -2.57 0.10 0.00 0.45 0.00 0.00 32.46 30.78 2be3 n ARG 111 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2be3 s LYS 112 N 0.03 1.99 0.41 -0.14 1.02 -1.02 -4.93 119.74 117.11 2be3 s LYS 112 Ca 0.70 1.66 0.15 0.00 0.02 0.00 0.00 55.97 58.50 2be3 s LYS 112 Cb -0.60 -1.83 1.02 0.00 -0.52 0.00 0.00 37.83 35.91 2be3 s LYS 112 CO 0.45 -1.92 1.89 0.00 -0.92 0.00 0.00 175.35 174.84 2be3 h ALA 113 N -0.61 2.09 0.00 5.17 0.00 -1.93 -1.62 119.26 122.36 2be3 h ALA 113 Ca -0.46 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2be3 h ALA 113 Cb 1.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2be3 h ALA 113 CO 0.49 -0.33 -0.01 0.66 0.00 0.00 0.00 179.25 180.06 2be3 h SER 114 N 0.46 0.00 0.00 0.00 4.64 -2.02 -3.46 113.55 113.17 2be3 h SER 114 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2be3 h SER 114 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2be3 h SER 114 CO -0.15 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.43 2be3 n GLY 115 N -0.05 0.78 3.71 -0.77 0.00 -0.61 -4.80 105.19 103.46 2be3 n GLY 115 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2be3 n GLY 115 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2be3 s TYR 116 N -2.00 2.70 -0.07 1.61 5.04 -1.25 -4.83 117.35 118.55 2be3 s TYR 116 Ca 0.00 0.31 0.03 0.00 -2.44 0.00 0.00 57.07 54.98 2be3 s TYR 116 Cb 0.00 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 38.23 2be3 s TYR 116 CO 0.00 -4.20 -0.17 1.03 -1.34 0.00 0.00 175.55 170.87 2be3 s ARG 117 N 1.72 2.04 0.03 4.97 0.52 -1.26 -2.42 118.95 124.56 2be3 s ARG 117 Ca 0.75 -0.59 -0.29 0.00 -0.52 0.00 0.00 55.73 55.08 2be3 s ARG 117 Cb -0.46 -1.66 0.10 0.00 0.52 0.00 0.00 34.95 33.44 2be3 s ARG 117 CO 0.33 0.14 1.13 0.45 0.02 0.00 0.00 175.30 177.37 2be3 s SER 118 N 0.36 -0.13 -0.07 0.23 0.15 -1.17 -4.79 113.70 108.28 2be3 s SER 118 Ca -0.12 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.33 2be3 s SER 118 Cb -0.15 0.30 0.02 0.00 -1.71 0.00 0.00 66.02 64.48 2be3 s SER 118 CO 0.04 -0.54 -0.07 -0.47 1.20 0.00 0.00 173.24 173.40 2be3 s TYR 119 N -2.80 1.14 -0.19 3.44 5.04 -0.96 -1.12 117.35 121.89 2be3 s TYR 119 Ca 0.12 -0.43 -0.05 0.00 -2.44 0.00 0.00 57.07 54.28 2be3 s TYR 119 Cb 0.02 -0.93 -0.03 0.00 0.35 0.00 0.00 41.96 41.37 2be3 s TYR 119 CO -0.02 -0.30 0.00 -1.01 -1.34 0.00 0.00 175.55 172.88 2be3 s HIS 120 N 1.09 3.05 -0.21 4.97 3.76 0.05 -0.23 115.29 127.78 2be3 s HIS 120 Ca -0.07 -0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 54.44 2be3 s HIS 120 Cb -0.14 -2.07 0.02 0.00 1.11 0.00 0.00 32.58 31.50 2be3 s HIS 120 CO -0.01 -0.19 -0.14 0.54 -0.85 0.00 0.00 174.74 174.09 2be3 s VAL 121 N 0.88 2.43 -0.17 -0.90 0.11 0.15 -0.72 120.40 122.18 2be3 s VAL 121 Ca 0.01 -0.95 -0.14 0.00 -2.93 0.00 0.00 61.98 57.97 2be3 s VAL 121 Cb -0.14 -2.12 -0.04 0.00 -1.53 0.00 0.00 36.38 32.54 2be3 s VAL 121 CO 0.02 0.41 0.32 -0.69 -3.33 0.00 0.00 175.10 171.83 2be3 s VAL 122 N 1.31 5.28 0.11 2.04 1.01 -0.07 0.36 120.40 130.43 2be3 s VAL 122 Ca 0.03 0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.67 2be3 s VAL 122 Cb -0.15 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2be3 s VAL 122 CO -0.09 0.35 -0.16 0.68 0.00 0.00 0.00 175.10 175.88 2be3 s VAL 123 N 0.71 1.40 -0.11 2.92 -7.23 0.22 -1.15 120.40 117.17 2be3 s VAL 123 Ca 0.17 -1.57 -0.20 0.00 -1.81 0.00 0.00 61.98 58.58 2be3 s VAL 123 Cb -0.14 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 2be3 s VAL 123 CO 0.05 -0.26 0.55 -1.61 -0.31 0.00 0.00 175.10 173.52 2be3 s GLU 124 N -2.21 4.36 -0.05 4.82 2.02 0.14 -1.47 118.70 126.31 2be3 s GLU 124 Ca 0.06 0.58 0.01 0.00 0.02 0.00 0.00 54.97 55.63 2be3 s GLU 124 Cb -0.08 -3.44 0.02 0.00 0.10 0.00 0.00 34.13 30.73 2be3 s GLU 124 CO 0.03 0.12 -0.06 -0.47 0.02 0.00 0.00 175.26 174.90 2be3 s TYR 125 N 0.72 0.94 -0.21 1.61 5.04 -0.39 -1.36 117.35 123.70 2be3 s TYR 125 Ca 0.29 -0.31 -0.09 0.00 -2.44 0.00 0.00 57.07 54.53 2be3 s TYR 125 Cb -0.16 -0.79 -0.04 0.00 0.35 0.00 0.00 41.96 41.31 2be3 s TYR 125 CO 0.13 -0.24 0.11 0.99 -1.34 0.00 0.00 175.55 175.19 2be3 s THR 126 N 0.99 5.00 -0.03 4.34 2.01 -1.26 -0.29 115.64 126.40 2be3 s THR 126 Ca -0.10 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 2be3 s THR 126 Cb -0.14 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2be3 s THR 126 CO -0.00 0.40 0.05 0.68 -0.69 0.00 0.00 174.62 175.06 2be3 s VAL 127 N 0.78 4.55 0.01 3.82 -7.23 0.38 -4.94 120.40 117.77 2be3 s VAL 127 Ca 0.06 -0.38 -0.19 0.00 -1.81 0.00 0.00 61.98 59.65 2be3 s VAL 127 Cb -0.13 -3.03 -0.06 0.00 0.56 0.00 0.00 36.38 33.73 2be3 s VAL 127 CO 0.02 0.43 0.55 -1.81 -0.31 0.00 0.00 175.10 173.98 2be3 s ASP 128 N -1.46 6.95 0.01 4.85 1.01 -1.26 -0.43 116.67 126.34 2be3 s ASP 128 Ca 0.19 1.13 -0.01 0.00 0.71 0.00 0.00 52.55 54.57 2be3 s ASP 128 Cb -0.12 -2.34 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 2be3 s ASP 128 CO 0.10 0.17 0.01 -0.89 0.21 0.00 0.00 175.17 174.77 2be3 s THR 129 N -0.48 0.07 0.64 -1.27 2.01 -1.12 -4.96 115.64 110.53 2be3 s THR 129 Ca 0.29 -0.54 0.37 0.00 0.31 0.00 0.00 61.69 62.12 2be3 s THR 129 Cb -0.18 -0.20 0.40 0.00 0.01 0.00 0.00 72.50 72.53 2be3 s THR 129 CO 0.16 -0.30 2.25 0.16 -0.69 0.00 0.00 174.62 176.20 2be3 h ILE 130 N 4.78 0.19 -0.35 1.82 3.07 -2.02 0.72 117.51 125.72 2be3 h ILE 130 Ca -0.29 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.12 2be3 h ILE 130 Cb 1.21 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 2be3 h ILE 130 CO 0.44 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 178.13 2be3 n ASN 131 N -3.33 2.82 0.00 2.16 4.13 -1.26 -5.05 115.26 114.73 2be3 n ASN 131 Ca -0.02 -2.25 0.00 0.00 1.68 0.00 0.00 54.58 53.99 2be3 n ASN 131 Cb 0.15 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 2be3 n ASN 131 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2be3 n GLY 132 N 0.71 2.05 3.68 7.41 0.00 0.25 -5.00 105.19 114.29 2be3 n GLY 132 Ca 0.14 -1.99 -0.44 0.00 0.00 0.00 0.00 46.02 43.73 2be3 n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2be3 n ALA 133 N 1.13 1.07 -3.73 4.61 0.00 -1.26 -2.79 120.51 119.54 2be3 n ALA 133 Ca 0.00 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.61 2be3 n ALA 133 Cb 0.00 -2.24 -0.17 0.00 0.00 0.00 0.00 19.45 17.04 2be3 n ALA 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2be3 s LYS 134 N -1.23 0.51 -0.16 0.00 2.47 0.43 -4.94 119.74 116.83 2be3 s LYS 134 Ca 0.61 0.11 -0.17 0.00 -1.56 0.00 0.00 55.97 54.96 2be3 s LYS 134 Cb -0.62 -0.82 -0.04 0.00 -1.46 0.00 0.00 37.83 34.89 2be3 s LYS 134 CO 0.57 -0.25 0.43 0.99 0.16 0.00 0.00 175.35 177.25 2be3 s THR 135 N 1.70 5.20 0.21 3.43 2.01 -1.26 -0.47 115.64 126.46 2be3 s THR 135 Ca 0.00 0.83 0.09 0.00 0.31 0.00 0.00 61.69 62.92 2be3 s THR 135 Cb -0.13 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 2be3 s THR 135 CO -0.04 0.30 -0.16 0.27 -0.69 0.00 0.00 174.62 174.30 2be3 s ILE 136 N 0.90 1.87 -0.01 1.82 -5.25 0.60 -4.96 121.20 116.18 2be3 s ILE 136 Ca 0.22 -2.21 -0.25 0.00 -0.99 0.00 0.00 60.65 57.43 2be3 s ILE 136 Cb -0.15 -2.06 -0.04 0.00 2.95 0.00 0.00 42.46 43.16 2be3 s ILE 136 CO 0.09 -0.53 0.76 -0.76 -1.79 0.00 0.00 174.94 172.71 2be3 s LEU 137 N -3.27 4.38 0.06 0.37 1.43 -1.26 -1.26 118.68 119.13 2be3 s LEU 137 Ca 0.23 1.37 0.08 0.00 -1.03 0.00 0.00 54.13 54.77 2be3 s LEU 137 Cb -0.02 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 2be3 s LEU 137 CO 0.08 -0.07 -0.22 0.00 0.23 0.00 0.00 176.35 176.37 2be3 s ALA 138 N 0.43 1.87 -0.26 4.21 0.00 -0.54 -4.05 121.76 123.41 2be3 s ALA 138 Ca 0.40 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 2be3 s ALA 138 Cb -0.19 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2be3 s ALA 138 CO 0.22 0.42 0.03 -2.00 0.00 0.00 0.00 175.76 174.43 2be3 s GLU 139 N -1.36 3.23 -0.32 0.00 2.12 -0.18 -0.61 118.70 121.59 2be3 s GLU 139 Ca 0.08 -0.75 -0.12 0.00 0.36 0.00 0.00 54.97 54.54 2be3 s GLU 139 Cb -0.09 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2be3 s GLU 139 CO 0.02 -0.34 0.21 0.42 -0.54 0.00 0.00 175.26 175.04 2be3 s ILE 140 N 1.49 5.19 -0.05 -3.70 1.01 0.16 -0.58 121.20 124.72 2be3 s ILE 140 Ca 0.04 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 2be3 s ILE 140 Cb -0.16 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 2be3 s ILE 140 CO 0.00 0.08 0.22 -1.10 0.00 0.00 0.00 174.94 174.14 2be3 s GLN 141 N 1.72 3.55 -0.11 2.79 -0.21 -0.04 0.30 119.66 127.66 2be3 s GLN 141 Ca 0.06 -0.06 0.03 0.00 0.02 0.00 0.00 55.36 55.41 2be3 s GLN 141 Cb -0.17 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.70 2be3 s GLN 141 CO 0.10 0.71 -0.22 0.42 -2.12 0.00 0.00 175.29 174.18 2be3 s ILE 142 N -1.16 1.96 0.03 1.08 1.01 0.68 -0.20 121.20 124.61 2be3 s ILE 142 Ca 0.22 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2be3 s ILE 142 Cb -0.13 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 2be3 s ILE 142 CO 0.11 0.53 0.07 -0.13 0.00 0.00 0.00 174.94 175.52 2be3 s ARG 143 N 0.52 0.51 0.78 2.79 0.52 -0.12 -2.28 118.95 121.67 2be3 s ARG 143 Ca -0.15 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.27 2be3 s ARG 143 Cb -0.17 0.20 0.06 0.00 0.52 0.00 0.00 34.95 35.56 2be3 s ARG 143 CO 0.05 -0.12 1.15 0.95 0.02 0.00 0.00 175.30 177.35 2be3 s THR 144 N -2.19 2.51 0.26 0.02 -4.23 -1.26 -0.32 115.64 110.44 2be3 s THR 144 Ca -0.09 0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.56 2be3 s THR 144 Cb -0.04 -3.15 0.14 0.00 1.34 0.00 0.00 72.50 70.79 2be3 s THR 144 CO -0.03 -0.22 1.79 -0.07 -0.54 0.00 0.00 174.62 175.56 2be3 h LEU 145 N -0.94 0.83 -1.64 4.79 -0.00 -1.84 0.13 115.31 116.64 2be3 h LEU 145 Ca -0.46 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.26 2be3 h LEU 145 Cb 1.30 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 2be3 h LEU 145 CO 0.65 0.83 0.00 0.00 -0.00 0.00 0.00 178.44 179.92 2be3 n ALA 146 N -2.46 1.82 0.00 1.53 0.00 -1.26 -0.88 120.51 119.25 2be3 n ALA 146 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2be3 n ALA 146 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.61 0.00 -0.12 0.00 2.85 0.44 -1.56 115.26 117.47 2be3 n ASN 148 Ca 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.39 2be3 n ASN 148 Cb 0.17 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.19 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 0.51 -0.14 1.20 3.57 -1.25 -1.61 116.94 119.21 2be3 h PHE 149 Ca 0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 2be3 h PHE 149 Cb 0.00 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2be3 h PHE 149 CO 0.00 0.35 -0.29 2.35 -2.23 0.00 0.00 178.31 178.48 2be3 h TRP 150 N 0.52 0.56 -0.36 0.41 7.01 -1.55 -3.13 115.95 119.41 2be3 h TRP 150 Ca 0.14 -0.21 -0.03 0.00 2.11 0.00 0.00 58.89 60.91 2be3 h TRP 150 Cb -0.02 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 2be3 h TRP 150 CO -0.04 0.92 0.12 0.00 -2.79 0.00 0.00 178.44 176.64 2be3 h ALA 151 N 0.54 0.47 -0.51 2.65 0.00 -1.80 -0.42 119.26 120.19 2be3 h ALA 151 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2be3 h ALA 151 Cb 0.89 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2be3 h ALA 151 CO 0.06 0.11 0.01 1.79 0.00 0.00 0.00 179.25 181.23 2be3 h THR 152 N 0.44 1.25 -0.40 0.00 1.35 -1.39 -0.84 112.91 113.31 2be3 h THR 152 Ca 0.12 -1.02 -0.14 0.00 -0.55 0.00 0.00 66.41 64.82 2be3 h THR 152 Cb 0.25 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 2be3 h THR 152 CO -0.00 0.36 -0.30 0.40 -0.25 0.00 0.00 175.52 175.73 2be3 h ILE 153 N 0.80 1.27 -0.63 6.82 2.04 -1.46 -2.40 117.51 123.95 2be3 h ILE 153 Ca 0.15 -1.47 -0.08 0.00 1.00 0.00 0.00 64.86 64.47 2be3 h ILE 153 Cb 0.46 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2be3 h ILE 153 CO 0.02 0.49 0.10 -0.08 0.00 0.00 0.00 178.15 178.69 2be3 h GLU 154 N 0.74 1.05 -0.38 2.37 4.22 -0.65 -1.94 114.58 119.98 2be3 h GLU 154 Ca 0.08 -0.28 -0.01 0.00 0.08 0.00 0.00 59.36 59.23 2be3 h GLU 154 Cb 0.89 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2be3 h GLU 154 CO 0.08 0.97 0.21 1.25 -2.18 0.00 0.00 179.01 179.34 2be3 h HIS 155 N 0.96 0.52 -0.10 0.92 2.76 -1.17 0.18 115.15 119.23 2be3 h HIS 155 Ca 0.19 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2be3 h HIS 155 Cb 0.43 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2be3 h HIS 155 CO 0.03 0.41 0.04 0.77 -1.30 0.00 0.00 177.93 177.88 2be3 h SER 156 N 0.49 0.05 -0.87 3.26 0.02 -1.26 -1.27 113.55 113.97 2be3 h SER 156 Ca 0.13 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2be3 h SER 156 Cb 0.06 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 2be3 h SER 156 CO -0.02 0.05 0.47 -0.07 -1.14 0.00 0.00 176.83 176.11 2be3 h LEU 157 N 0.09 1.10 -1.31 5.07 3.38 -1.17 -2.92 115.31 119.55 2be3 h LEU 157 Ca 0.04 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2be3 h LEU 157 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2be3 h LEU 157 CO -0.04 0.89 -0.32 -1.13 0.09 0.00 0.00 178.44 177.94 2be3 h ASN 158 N 1.23 0.00 -0.35 -0.43 -1.24 -0.29 -0.36 115.58 114.14 2be3 h ASN 158 Ca 0.31 0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.34 2be3 h ASN 158 Cb 0.05 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 2be3 h ASN 158 CO -0.05 0.32 0.16 0.22 -1.29 0.00 0.00 177.43 176.79 2be3 h TYR 159 N 0.00 0.30 -0.15 0.67 3.20 -1.04 0.34 116.97 120.30 2be3 h TYR 159 Ca -0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2be3 h TYR 159 Cb 0.66 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 2be3 h TYR 159 CO 0.00 0.16 -0.04 -0.22 -1.64 0.00 0.00 178.16 176.41 2be3 h LYS 160 N 0.34 0.29 0.00 1.82 3.64 -1.38 -3.38 116.57 117.90 2be3 h LYS 160 Ca 0.15 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2be3 h LYS 160 Cb 0.07 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2be3 h LYS 160 CO -0.11 0.59 -1.19 0.66 -2.27 0.00 0.00 179.45 177.12 2be3 n TYR 161 N -4.69 0.00 -4.20 1.91 4.01 -0.21 -5.00 117.16 108.98 2be3 n TYR 161 Ca -0.06 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.30 2be3 n TYR 161 Cb 0.27 -0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 2be3 n TYR 161 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2be3 n GLN 162 N -1.67 -0.60 0.00 -0.72 6.02 0.12 -0.66 117.38 119.87 2be3 n GLN 162 Ca 0.01 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2be3 n GLN 162 Cb 0.36 -3.01 0.00 0.00 1.02 0.00 0.00 30.24 28.61 2be3 n GLN 162 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2be3 n GLY 163 N -2.36 2.90 2.81 1.08 0.00 -1.26 -4.96 105.19 103.39 2be3 n GLY 163 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2be3 n GLY 163 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2be3 n ASP 164 N 0.00 5.88 -4.74 1.61 2.03 0.17 -5.05 116.55 116.44 2be3 n ASP 164 Ca 0.00 -3.49 -0.41 0.00 0.52 0.00 0.00 54.79 51.41 2be3 n ASP 164 Cb 0.00 -1.08 -0.03 0.00 -0.72 0.00 0.00 41.12 39.29 2be3 n ASP 164 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2be3 s PHE 165 N -3.03 3.41 0.39 -0.67 0.08 -1.26 -4.84 117.98 112.06 2be3 s PHE 165 Ca 0.35 1.42 -0.25 0.00 0.12 0.00 0.00 56.93 58.58 2be3 s PHE 165 Cb 0.11 -3.44 -0.11 0.00 -0.57 0.00 0.00 43.02 39.01 2be3 s PHE 165 CO 0.03 -1.23 1.03 -2.30 -0.10 0.00 0.00 175.22 172.66 2be3 n PRO 166 N 2.41 1.42 -0.32 0.24 -0.02 -1.26 -4.67 135.00 132.80 2be3 n PRO 166 Ca 0.04 0.51 0.23 0.00 -2.02 0.00 0.00 63.50 62.25 2be3 n PRO 166 Cb 0.44 -2.03 0.44 0.00 -0.02 0.00 0.00 33.50 32.34 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 1.71 0.19 -0.46 2.55 3.32 -1.99 0.12 116.42 121.86 2be3 h ASP 167 Ca -0.44 0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.72 2be3 h ASP 167 Cb 1.33 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 41.13 2be3 h ASP 167 CO 0.58 -0.27 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.57 2be3 h GLU 168 N 0.15 0.97 -0.11 3.56 4.57 -2.00 -1.50 114.58 120.22 2be3 h GLU 168 Ca 0.71 -0.39 -0.09 0.00 -1.18 0.00 0.00 59.36 58.41 2be3 h GLU 168 Cb 1.66 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.21 2be3 h GLU 168 CO -0.72 1.06 -0.27 0.82 -1.18 0.00 0.00 179.01 178.73 2be3 h ILE 169 N 0.84 1.38 -0.53 2.32 2.04 -1.18 -2.83 117.51 119.56 2be3 h ILE 169 Ca 0.12 -1.57 0.06 0.00 1.00 0.00 0.00 64.86 64.47 2be3 h ILE 169 Cb 0.75 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 2be3 h ILE 169 CO 0.06 0.46 0.24 0.50 0.00 0.00 0.00 178.15 179.41 2be3 h LYS 170 N -0.04 0.45 -0.92 2.37 1.63 -1.17 0.24 116.57 119.12 2be3 h LYS 170 Ca -0.00 -0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.86 2be3 h LYS 170 Cb 0.87 -0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 32.33 2be3 h LYS 170 CO 0.06 0.30 0.57 -0.22 -3.45 0.00 0.00 179.45 176.70 2be3 h LYS 171 N 0.46 0.94 -0.14 1.90 3.64 -1.28 -0.17 116.57 121.92 2be3 h LYS 171 Ca 0.25 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.41 2be3 h LYS 171 Cb 0.21 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2be3 h LYS 171 CO -0.21 0.62 -0.55 -0.09 -2.27 0.00 0.00 179.45 176.95 2be3 h ARG 172 N 0.96 0.63 -0.99 1.90 9.65 -1.12 -1.33 114.38 124.07 2be3 h ARG 172 Ca 0.43 -0.48 0.13 0.00 -1.10 0.00 0.00 59.98 58.95 2be3 h ARG 172 Cb 0.32 0.09 -0.09 0.00 -1.39 0.00 0.00 29.97 28.90 2be3 h ARG 172 CO -0.22 1.10 0.63 -0.07 2.80 0.00 0.00 179.97 184.21 2be3 h LEU 173 N 0.28 0.90 0.04 3.80 3.38 -0.07 -0.71 115.31 122.93 2be3 h LEU 173 Ca -0.03 0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 2be3 h LEU 173 Cb 1.18 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.82 2be3 h LEU 173 CO 0.12 0.46 -0.94 -0.33 0.09 0.00 0.00 178.44 177.84 2be3 h GLU 174 N 0.95 0.57 -0.42 1.13 5.08 -0.88 -1.29 114.58 119.73 2be3 h GLU 174 Ca 0.50 -0.66 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 2be3 h GLU 174 Cb 0.54 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2be3 h GLU 174 CO -0.27 1.27 -0.14 0.97 -1.00 0.00 0.00 179.01 179.84 2be3 h ILE 175 N 0.17 1.28 -0.74 3.13 2.10 -1.09 -2.24 117.51 120.10 2be3 h ILE 175 Ca -0.13 -1.25 -0.04 0.00 1.08 0.00 0.00 64.86 64.52 2be3 h ILE 175 Cb 1.62 1.21 -0.03 0.00 -1.09 0.00 0.00 36.82 38.53 2be3 h ILE 175 CO 0.18 0.42 0.32 0.71 -1.08 0.00 0.00 178.15 178.70 2be3 h THR 176 N 0.65 1.25 -0.67 2.19 1.35 -1.18 0.24 112.91 116.74 2be3 h THR 176 Ca 0.10 -0.75 0.01 0.00 -0.55 0.00 0.00 66.41 65.22 2be3 h THR 176 Cb 0.68 0.34 -0.03 0.00 -1.73 0.00 0.00 68.15 67.40 2be3 h THR 176 CO 0.05 0.31 0.44 0.00 -0.25 0.00 0.00 175.52 176.07 2be3 h ALA 177 N 1.27 0.85 0.18 6.62 0.00 -1.12 0.23 119.26 127.29 2be3 h ALA 177 Ca 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2be3 h ALA 177 Cb 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2be3 h ALA 177 CO -0.02 0.29 -0.08 0.00 0.00 0.00 0.00 179.25 179.43 2be3 h ARG 178 N 0.91 -0.23 -0.75 0.00 3.08 -1.02 -2.39 114.38 113.99 2be3 h ARG 178 Ca 0.25 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.39 2be3 h ARG 178 Cb -0.09 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 2be3 h ARG 178 CO -0.05 -0.05 0.42 0.82 -1.07 0.00 0.00 179.97 180.04 2be3 h ILE 179 N -0.37 0.92 -0.39 2.04 2.04 -0.22 -0.41 117.51 121.13 2be3 h ILE 179 Ca -0.02 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 2be3 h ILE 179 Cb 0.28 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2be3 h ILE 179 CO 0.04 0.13 -0.01 0.00 0.00 0.00 0.00 178.15 178.31 2be3 h ALA 180 N 1.41 0.52 -0.48 1.87 0.00 -0.54 0.11 119.26 122.16 2be3 h ALA 180 Ca 0.36 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2be3 h ALA 180 Cb 0.30 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2be3 h ALA 180 CO -0.23 0.31 0.28 1.25 0.00 0.00 0.00 179.25 180.86 2be3 h HIS 181 N 0.51 0.52 -0.58 0.00 -0.00 -1.27 -2.39 115.15 111.94 2be3 h HIS 181 Ca 0.11 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.46 2be3 h HIS 181 Cb 0.49 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.71 2be3 h HIS 181 CO 0.04 0.30 0.22 0.37 -0.00 0.00 0.00 177.93 178.86 2be3 h GLN 182 N 0.56 0.84 -0.05 5.26 4.15 -0.79 0.31 115.11 125.39 2be3 h GLN 182 Ca 0.19 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.49 2be3 h GLN 182 Cb 0.03 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 2be3 h GLN 182 CO -0.09 0.70 -0.00 1.25 -1.93 0.00 0.00 178.83 178.75 2be3 h LEU 183 N 0.83 -0.02 -0.79 -2.39 5.85 -0.52 0.21 115.31 118.47 2be3 h LEU 183 Ca 0.20 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 2be3 h LEU 183 Cb 0.18 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2be3 h LEU 183 CO -0.02 -0.00 -0.18 0.44 -0.34 0.00 0.00 178.44 178.34 2be3 h ASP 184 N 0.01 0.73 -0.35 1.25 3.32 -0.94 -3.12 116.42 117.31 2be3 h ASP 184 Ca 0.02 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 2be3 h ASP 184 Cb 0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2be3 h ASP 184 CO -0.04 0.90 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.85 2be3 h GLU 185 N 0.65 0.76 -0.77 3.56 4.39 -0.22 -1.65 114.58 121.30 2be3 h GLU 185 Ca 0.10 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2be3 h GLU 185 Cb 0.66 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2be3 h GLU 185 CO 0.05 0.96 0.00 0.39 -1.16 0.00 0.00 179.01 179.25 2be3 n GLU 186 N -4.28 0.34 0.00 2.33 -0.58 0.71 -2.49 120.64 116.67 2be3 n GLU 186 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2be3 n GLU 186 Cb 0.42 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 2be3 n GLU 186 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2be3 n GLY 188 N 0.49 0.00 0.32 0.62 0.00 -0.62 -4.05 105.19 101.95 2be3 n GLY 188 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2be3 n GLY 188 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2be3 h GLU 189 N 0.00 0.15 -0.11 1.61 4.57 -1.76 -1.94 114.58 117.09 2be3 h GLU 189 Ca 0.00 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 2be3 h GLU 189 Cb 0.00 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 2be3 h GLU 189 CO 0.00 0.10 -0.38 0.44 -1.18 0.00 0.00 179.01 177.98 2be3 n ILE 190 N -4.47 2.32 -0.33 2.32 -5.35 -1.26 -4.76 119.36 107.83 2be3 n ILE 190 Ca 0.04 -3.12 -0.03 0.00 -0.27 0.00 0.00 62.75 59.36 2be3 n ILE 190 Cb 0.30 -0.27 0.09 0.00 -1.74 0.00 0.00 39.64 38.02 2be3 n ILE 190 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2be3 h ARG 191 N 1.01 1.21 -0.57 6.28 2.43 -1.71 -1.42 114.38 121.60 2be3 h ARG 191 Ca 0.07 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2be3 h ARG 191 Cb 1.19 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 2be3 h ARG 191 CO 0.12 0.84 0.11 -0.44 -1.51 0.00 0.00 179.97 179.09 2be3 h ASP 192 N 1.23 0.90 -0.49 -3.80 3.32 -1.86 -0.23 116.42 115.48 2be3 h ASP 192 Ca 0.32 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 2be3 h ASP 192 Cb -0.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2be3 h ASP 192 CO -0.06 0.92 0.11 0.44 -1.72 0.00 0.00 179.24 178.92 2be3 h ASP 193 N 0.84 0.76 -0.50 6.45 3.32 -1.86 -1.81 116.42 123.61 2be3 h ASP 193 Ca 0.18 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2be3 h ASP 193 Cb 0.39 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2be3 h ASP 193 CO 0.01 0.80 0.18 0.40 -1.72 0.00 0.00 179.24 178.91 2be3 h ILE 194 N 0.68 1.22 -0.21 0.35 2.04 -0.94 -2.25 117.51 118.40 2be3 h ILE 194 Ca 0.15 -0.72 -0.16 0.00 1.00 0.00 0.00 64.86 65.14 2be3 h ILE 194 Cb 0.35 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2be3 h ILE 194 CO 0.00 0.27 -0.52 1.56 0.00 0.00 0.00 178.15 179.46 2be3 h GLN 195 N 0.67 0.58 -0.37 2.37 4.20 -0.95 -0.37 115.11 121.24 2be3 h GLN 195 Ca 0.16 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 2be3 h GLN 195 Cb 0.24 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2be3 h GLN 195 CO -0.01 0.96 0.22 1.49 -0.67 0.00 0.00 178.83 180.82 2be3 h GLU 196 N 0.45 0.51 -0.58 1.46 4.81 -1.29 -1.22 114.58 118.73 2be3 h GLU 196 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2be3 h GLU 196 Cb 1.06 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 2be3 h GLU 196 CO 0.10 0.39 0.37 0.00 -0.73 0.00 0.00 179.01 179.14 2be3 h ALA 197 N 1.09 0.73 -0.03 2.92 0.00 -1.13 -2.88 119.26 119.97 2be3 h ALA 197 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2be3 h ALA 197 Cb 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2be3 h ALA 197 CO -0.02 0.19 -0.03 1.96 0.00 0.00 0.00 179.25 181.34 2be3 h GLN 198 N 0.78 0.04 0.00 0.00 4.20 -0.79 -2.16 115.11 117.18 2be3 h GLN 198 Ca 0.21 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 2be3 h GLN 198 Cb -0.07 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 2be3 h GLN 198 CO -0.04 0.08 -0.01 0.00 -0.67 0.00 0.00 178.83 178.19 2be3 h ALA 199 N 1.93 1.00 -0.23 3.87 0.00 -1.00 -3.22 119.26 121.61 2be3 h ALA 199 Ca 0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2be3 h ALA 199 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2be3 h ALA 199 CO 0.00 0.01 -0.65 -0.07 0.00 0.00 0.00 179.25 178.55 2be3 h LEU 200 N 0.00 0.97 -6.95 0.00 3.38 -1.39 -3.45 115.31 107.87 2be3 h LEU 200 Ca -0.00 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.43 2be3 h LEU 200 Cb 0.59 -0.28 -0.22 0.00 0.09 0.00 0.00 40.66 40.84 2be3 h LEU 200 CO 0.00 1.37 -0.21 0.12 0.09 0.00 0.00 178.44 179.80 2be3 s PHE 201 N -3.97 -1.20 -0.31 1.13 5.36 -1.21 -5.13 117.98 112.65 2be3 s PHE 201 Ca -0.10 2.03 -0.03 0.00 -0.96 0.00 0.00 56.93 57.86 2be3 s PHE 201 Cb 0.09 0.63 0.04 0.00 -0.34 0.00 0.00 43.02 43.45 2be3 s PHE 201 CO 0.90 -0.63 0.03 0.34 -1.46 0.00 0.00 175.22 174.40 2be3 s ASP 202 N 2.81 5.01 0.00 6.13 2.15 -1.26 -4.80 116.67 126.71 2be3 s ASP 202 Ca -0.02 -1.19 0.11 0.00 0.43 0.00 0.00 52.55 51.88 2be3 s ASP 202 Cb -0.12 -1.76 0.66 0.00 -0.30 0.00 0.00 42.92 41.40 2be3 s ASP 202 CO -0.17 -0.27 1.10 -0.81 -0.17 0.00 0.00 175.17 174.84