============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 35 1.000 58.977 37.935 79.279 -99.200 -91.000 HIS 47 0.900 54.895 39.230 83.775 -99.200 -91.000 TRP 49 1.040 53.911 41.463 73.348 -99.200 -91.000 TRP6 49 1.020 54.388 43.739 73.812 -99.200 -91.000 PHE 67 1.000 50.663 65.034 59.360 -99.200 -91.000 TYR 74 0.840 50.985 47.556 63.930 -99.200 -91.000 PHE 76 1.000 50.298 53.928 54.096 -99.200 -91.000 TYR 93 0.840 43.868 53.386 44.949 -99.200 -91.000 PHE 112 1.000 52.786 58.468 69.186 -99.200 -91.000 PHE 115 1.000 55.347 62.507 73.069 -99.200 -91.000 TYR 132 0.840 54.319 66.550 62.930 -99.200 -91.000 PHE 150 1.000 46.790 53.861 50.808 -99.200 -91.000 HIS 153 0.900 38.876 63.231 45.500 -99.200 -91.000 TYR 157 0.840 31.832 56.778 57.951 -99.200 -91.000 HIS 168 0.900 29.525 46.727 64.954 -99.200 -91.000 PHE 186 1.000 40.644 50.766 49.003 -99.200 -91.000 TRP 195 1.040 53.789 50.999 79.244 -99.200 -91.000 TRP6 195 1.020 52.729 52.390 80.848 -99.200 -91.000 PHE 201 1.000 41.543 45.949 77.214 -99.200 -91.000 TYR 211 0.840 48.117 28.911 81.484 -99.200 -91.000 TYR 222 0.840 35.858 27.659 72.183 -99.200 -91.000 HIS 225 0.900 42.894 23.069 83.739 -99.200 -91.000 PHE 229 1.000 41.769 40.373 76.297 -99.200 -91.000 HIS 245 0.900 34.101 49.090 40.120 -99.200 -91.000 HIS 252 0.900 40.984 35.764 43.514 -99.200 -91.000 TYR 254 0.840 40.778 36.930 48.348 -99.200 -91.000 TYR 260 0.840 26.782 44.802 59.331 -99.200 -91.000 HIS 286 0.900 15.460 37.321 57.545 -99.200 -91.000 TYR 294 0.840 36.177 28.342 60.529 -99.200 -91.000 PHE 317 1.000 24.876 28.163 63.332 -99.200 -91.000 HIS 333 0.900 40.108 40.460 71.438 -99.200 -91.000 TYR 345 0.840 43.483 35.636 61.325 -99.200 -91.000 HIS 352 0.900 44.859 29.662 49.888 -99.200 -91.000 PHE 354 1.000 43.534 26.754 56.050 -99.200 -91.000 PHE 390 1.000 29.573 37.977 69.921 -99.200 -91.000 PHE 392 1.000 35.341 45.053 77.756 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2byzC1 MET 1 HA 0.01 -0.07 0.24 -0.75 4.52 3.95 2byzC1 MET 1 HB2 0.01 -0.06 0.07 -0.04 2.15 2.13 2byzC1 MET 1 HB3 0.01 -0.01 0.02 -0.04 2.03 2.01 2byzC1 MET 1 HG2 0.01 0.13 -0.03 -0.04 2.63 2.70 2byzC1 MET 1 HG3 0.01 0.07 0.11 -0.04 2.56 2.71 2byzC1 MET 1 HE3 0.02 -0.01 -0.01 -0.04 2.10 2.06 2byzC1 LYS 2 H 0.01 0.15 0.16 -0.55 8.42 8.18 2byzC1 LYS 2 HA 0.00 -0.05 0.44 -0.75 4.32 3.95 2byzC1 LYS 2 HB2 0.00 0.10 0.17 -0.04 1.87 2.10 2byzC1 LYS 2 HB3 -0.00 -0.05 -0.07 -0.04 1.79 1.62 2byzC1 LYS 2 HG2 -0.00 0.07 0.12 -0.04 1.46 1.61 2byzC1 LYS 2 HG3 0.00 -0.12 0.11 -0.04 1.46 1.42 2byzC1 LYS 2 HD2 0.01 -0.08 0.08 -0.04 1.69 1.66 2byzC1 LYS 2 HD3 0.00 0.15 0.11 -0.04 1.68 1.90 2byzC1 LYS 2 HE2 0.01 -0.00 0.03 -0.04 2.99 2.98 2byzC1 LYS 2 HE3 0.01 0.03 0.05 -0.04 2.99 3.04 2byzC1 ARG 3 H -0.00 -0.00 0.27 -0.55 8.46 8.18 2byzC1 ARG 3 HA -0.00 0.24 0.88 -0.75 4.34 4.70 2byzC1 ARG 3 HB2 -0.00 -0.16 0.17 -0.04 1.90 1.87 2byzC1 ARG 3 HB3 -0.00 0.04 0.06 -0.04 1.80 1.86 2byzC1 ARG 3 HG2 0.00 0.08 0.01 -0.04 1.67 1.72 2byzC1 ARG 3 HG3 0.00 0.13 -0.03 -0.04 1.67 1.74 2byzC1 ARG 3 HD2 -0.00 0.05 0.02 -0.04 3.22 3.25 2byzC1 ARG 3 HD3 -0.00 -0.09 0.04 -0.04 3.22 3.12 2byzC1 ALA 4 H -0.01 0.28 0.23 -0.55 8.40 8.35 2byzC1 ALA 4 HA -0.03 0.30 1.05 -0.75 4.34 4.90 2byzC1 ALA 4 HB3 -0.04 0.01 0.03 -0.04 1.41 1.37 2byzC1 VAL 5 H -0.04 0.78 0.42 -0.55 8.24 8.84 2byzC1 VAL 5 HA -0.02 0.14 1.17 -0.75 4.13 4.66 2byzC1 VAL 5 HB -0.03 0.06 0.01 -0.04 2.12 2.13 2byzC1 VAL 5 HG13 -0.02 -0.03 -0.24 -0.04 0.97 0.64 2byzC1 VAL 5 HG23 -0.02 0.02 -0.18 -0.04 0.95 0.72 2byzC1 ILE 6 H -0.01 0.61 0.37 -0.55 8.25 8.68 2byzC1 ILE 6 HA -0.04 0.38 1.09 -0.75 4.18 4.86 2byzC1 ILE 6 HB 0.02 -0.07 0.20 -0.04 1.89 2.00 2byzC1 ILE 6 HG12 -0.04 0.03 -0.10 -0.04 1.49 1.34 2byzC1 ILE 6 HG13 -0.07 -0.03 -0.08 -0.04 1.21 0.99 2byzC1 ILE 6 HG23 -0.08 -0.03 -0.05 -0.04 0.93 0.73 2byzC1 ILE 6 HD13 -0.08 0.01 -0.17 -0.04 0.88 0.60 2byzC1 THR 7 H -0.00 0.50 0.35 -0.55 8.28 8.58 2byzC1 THR 7 HA 0.07 0.35 1.12 -0.75 4.39 5.17 2byzC1 THR 7 HB 0.02 0.07 0.16 -0.04 4.32 4.53 2byzC1 THR 7 HG23 -0.02 -0.01 -0.28 -0.04 1.22 0.87 2byzC1 GLY 8 H 0.08 0.10 0.19 -0.55 8.43 8.25 2byzC1 GLY 8 HA2 0.29 0.15 0.44 -0.51 4.01 4.38 2byzC1 GLY 8 HA3 0.08 0.17 0.38 -0.51 4.01 4.14 2byzC1 LEU 9 H 0.06 0.33 0.24 -0.55 8.37 8.45 2byzC1 LEU 9 HA -0.08 0.29 0.96 -0.75 4.35 4.76 2byzC1 LEU 9 HB2 -0.15 -0.04 0.10 -0.04 1.64 1.50 2byzC1 LEU 9 HB3 -0.27 0.04 -0.08 -0.04 1.64 1.28 2byzC1 LEU 9 HG -0.18 0.01 -0.03 -0.04 1.64 1.39 2byzC1 LEU 9 HD13 -0.05 -0.02 -0.25 -0.04 0.93 0.58 2byzC1 LEU 9 HD23 -0.67 0.02 -0.12 -0.04 0.89 0.08 2byzC1 GLY 10 H -0.07 0.52 0.40 -0.55 8.43 8.73 2byzC1 GLY 10 HA2 -0.02 0.04 0.67 -0.51 4.01 4.19 2byzC1 GLY 10 HA3 -0.04 0.31 0.43 -0.51 4.01 4.21 2byzC1 ILE 11 H -0.01 0.25 0.14 -0.55 8.25 8.08 2byzC1 ILE 11 HA -0.04 0.13 0.70 -0.75 4.18 4.22 2byzC1 ILE 11 HB -0.07 0.08 -0.28 -0.04 1.89 1.59 2byzC1 ILE 11 HG12 -0.00 -0.04 -0.34 -0.04 1.49 1.07 2byzC1 ILE 11 HG13 -0.06 0.21 0.11 -0.04 1.21 1.43 2byzC1 ILE 11 HG23 0.01 -0.01 -0.32 -0.04 0.93 0.57 2byzC1 ILE 11 HD13 -0.06 -0.02 -0.11 -0.04 0.88 0.65 2byzC1 VAL 12 H -0.04 0.60 0.14 -0.55 8.24 8.39 2byzC1 VAL 12 HA -0.04 0.18 0.80 -0.75 4.13 4.32 2byzC1 VAL 12 HB -0.04 -0.13 0.19 -0.04 2.12 2.09 2byzC1 VAL 12 HG13 -0.12 -0.02 -0.06 -0.04 0.97 0.73 2byzC1 VAL 12 HG23 0.04 0.02 -0.21 -0.04 0.95 0.77 2byzC1 SER 13 H -0.04 0.82 0.24 -0.55 8.46 8.93 2byzC1 SER 13 HA -0.12 0.20 0.98 -0.75 4.49 4.80 2byzC1 SER 13 HB2 0.06 -0.01 0.11 -0.04 3.95 4.07 2byzC1 SER 13 HB3 0.03 0.02 -0.18 -0.04 3.93 3.77 2byzC1 SER 14 H -0.04 0.21 0.11 -0.55 8.46 8.19 2byzC1 SER 14 HA -0.07 0.26 0.34 -0.75 4.49 4.26 2byzC1 SER 14 HB2 -0.02 0.21 0.10 -0.04 3.95 4.20 2byzC1 SER 14 HB3 -0.06 -0.02 -0.14 -0.04 3.93 3.67 2byzC1 ILE 15 H -0.00 -0.05 -0.41 -0.55 8.25 7.23 2byzC1 ILE 15 HA -0.02 0.36 0.96 -0.75 4.18 4.72 2byzC1 ILE 15 HB -0.05 0.05 0.08 -0.04 1.89 1.93 2byzC1 ILE 15 HG12 -0.02 -0.14 -0.09 -0.04 1.49 1.21 2byzC1 ILE 15 HG13 -0.01 -0.03 -0.27 -0.04 1.21 0.86 2byzC1 ILE 15 HG23 -0.05 0.01 -0.26 -0.04 0.93 0.59 2byzC1 ILE 15 HD13 -0.31 0.01 -0.10 -0.04 0.88 0.44 2byzC1 GLY 16 H -0.01 0.43 -0.31 -0.55 8.43 7.99 2byzC1 GLY 16 HA2 -0.01 0.05 0.27 -0.51 4.01 3.82 2byzC1 GLY 16 HA3 0.01 0.06 0.33 -0.51 4.01 3.89 2byzC1 ASN 17 H -0.00 0.18 0.14 -0.55 8.53 8.30 2byzC1 ASN 17 HA -0.01 0.07 0.82 -0.75 4.76 4.88 2byzC1 ASN 17 HB2 0.01 0.02 0.09 -0.04 2.88 2.95 2byzC1 ASN 17 HB3 0.01 0.02 0.16 -0.04 2.79 2.94 2byzC1 ASN 17 HD21 -0.00 0.43 0.01 -0.04 7.03 7.44 2byzC1 ASN 17 HD22 0.00 -0.02 0.04 -0.04 7.74 7.73 2byzC1 ASN 18 H 0.01 0.10 -0.09 -0.55 8.53 8.01 2byzC1 ASN 18 HA 0.01 0.25 0.56 -0.75 4.76 4.83 2byzC1 ASN 18 HB2 0.02 -0.03 0.21 -0.04 2.88 3.04 2byzC1 ASN 18 HB3 0.02 0.24 0.06 -0.04 2.79 3.07 2byzC1 ASN 18 HD21 0.01 0.05 -0.04 -0.04 7.03 7.01 2byzC1 ASN 18 HD22 0.01 0.14 -0.09 -0.04 7.74 7.76 2byzC1 GLN 19 H 0.03 0.27 0.14 -0.55 8.47 8.37 2byzC1 GLN 19 HA 0.05 0.08 0.36 -0.75 4.36 4.09 2byzC1 GLN 19 HB2 0.08 0.08 0.02 -0.04 2.15 2.30 2byzC1 GLN 19 HB3 0.04 0.02 0.02 -0.04 2.02 2.05 2byzC1 GLN 19 HG2 0.06 0.01 0.08 -0.04 2.40 2.51 2byzC1 GLN 19 HG3 0.07 -0.02 -0.09 -0.04 2.39 2.31 2byzC1 GLN 19 HE21 0.27 0.09 -0.01 -0.04 6.97 7.28 2byzC1 GLN 19 HE22 0.11 0.02 0.03 -0.04 7.69 7.81 2byzC1 GLN 20 H 0.02 0.07 -0.20 -0.55 8.47 7.82 2byzC1 GLN 20 HA -0.01 0.19 0.45 -0.75 4.36 4.23 2byzC1 GLN 20 HB2 0.00 -0.08 0.05 -0.04 2.15 2.09 2byzC1 GLN 20 HB3 -0.01 0.09 0.01 -0.04 2.02 2.06 2byzC1 GLN 20 HG2 0.01 0.09 0.01 -0.04 2.40 2.47 2byzC1 GLN 20 HG3 0.02 0.05 -0.00 -0.04 2.39 2.42 2byzC1 GLN 20 HE21 0.02 0.02 0.02 -0.04 6.97 6.99 2byzC1 GLN 20 HE22 0.01 0.06 0.01 -0.04 7.69 7.73 2byzC1 GLU 21 H 0.00 0.02 -0.17 -0.55 8.60 7.91 2byzC1 GLU 21 HA -0.02 0.14 0.45 -0.75 4.29 4.11 2byzC1 GLU 21 HB2 0.00 -0.19 0.18 -0.04 2.09 2.04 2byzC1 GLU 21 HB3 -0.01 0.14 0.10 -0.04 1.99 2.18 2byzC1 GLU 21 HG2 -0.01 0.12 0.03 -0.04 2.34 2.44 2byzC1 GLU 21 HG3 -0.00 -0.05 0.04 -0.04 2.34 2.29 2byzC1 VAL 22 H 0.02 0.37 -0.17 -0.55 8.24 7.91 2byzC1 VAL 22 HA 0.01 0.19 0.30 -0.75 4.13 3.88 2byzC1 VAL 22 HB 0.07 0.03 0.02 -0.04 2.12 2.21 2byzC1 VAL 22 HG13 0.18 0.00 -0.25 -0.04 0.97 0.86 2byzC1 VAL 22 HG23 0.08 -0.04 -0.23 -0.04 0.95 0.73 2byzC1 LEU 23 H 0.01 0.55 -0.23 -0.55 8.37 8.15 2byzC1 LEU 23 HA 0.05 0.00 0.33 -0.75 4.35 3.98 2byzC1 LEU 23 HB2 -0.04 0.01 0.11 -0.04 1.64 1.68 2byzC1 LEU 23 HB3 -0.09 0.10 0.17 -0.04 1.64 1.78 2byzC1 LEU 23 HG -0.25 -0.01 -0.28 -0.04 1.64 1.06 2byzC1 LEU 23 HD13 -0.15 -0.01 -0.04 -0.04 0.93 0.69 2byzC1 LEU 23 HD23 -0.58 0.00 -0.04 -0.04 0.89 0.23 2byzC1 ALA 24 H -0.06 0.39 -0.27 -0.55 8.40 7.92 2byzC1 ALA 24 HA -0.12 0.04 0.39 -0.75 4.34 3.89 2byzC1 ALA 24 HB3 -0.06 0.02 0.10 -0.04 1.41 1.43 2byzC1 SER 25 H -0.04 0.53 -0.11 -0.55 8.46 8.29 2byzC1 SER 25 HA -0.04 -0.02 0.48 -0.75 4.49 4.15 2byzC1 SER 25 HB2 -0.05 0.05 0.22 -0.04 3.95 4.13 2byzC1 SER 25 HB3 -0.05 -0.01 0.03 -0.04 3.93 3.86 2byzC1 LEU 26 H -0.03 0.65 -0.10 -0.55 8.37 8.34 2byzC1 LEU 26 HA -0.03 -0.01 0.42 -0.75 4.35 3.97 2byzC1 LEU 26 HB2 0.19 0.14 0.10 -0.04 1.64 2.03 2byzC1 LEU 26 HB3 0.24 -0.06 -0.04 -0.04 1.64 1.74 2byzC1 LEU 26 HG -0.08 0.18 0.02 -0.04 1.64 1.72 2byzC1 LEU 26 HD13 0.12 -0.03 -0.10 -0.04 0.93 0.89 2byzC1 LEU 26 HD23 -0.37 -0.03 -0.04 -0.04 0.89 0.40 2byzC1 ARG 27 H -0.14 0.53 -0.15 -0.55 8.46 8.15 2byzC1 ARG 27 HA -0.19 0.02 0.38 -0.75 4.34 3.79 2byzC1 ARG 27 HB2 -0.25 0.09 0.12 -0.04 1.90 1.82 2byzC1 ARG 27 HB3 -0.25 -0.04 -0.04 -0.04 1.80 1.43 2byzC1 ARG 27 HG2 -1.05 -0.03 -0.07 -0.04 1.67 0.48 2byzC1 ARG 27 HG3 -1.04 0.04 -0.03 -0.04 1.67 0.60 2byzC1 ARG 27 HD2 -0.41 -0.02 -0.10 -0.04 3.22 2.64 2byzC1 ARG 27 HD3 -0.32 -0.03 -0.05 -0.04 3.22 2.78 2byzC1 GLU 28 H -0.08 0.40 -0.25 -0.55 8.60 8.12 2byzC1 GLU 28 HA -0.05 0.11 0.65 -0.75 4.29 4.25 2byzC1 GLU 28 HB2 -0.04 0.01 0.10 -0.04 2.09 2.11 2byzC1 GLU 28 HB3 -0.04 -0.07 0.09 -0.04 1.99 1.93 2byzC1 GLU 28 HG2 -0.05 -0.04 -0.01 -0.04 2.34 2.19 2byzC1 GLU 28 HG3 -0.08 0.05 0.01 -0.04 2.34 2.28 2byzC1 GLY 29 H -0.03 0.32 -0.37 -0.55 8.43 7.81 2byzC1 GLY 29 HA2 -0.02 0.01 0.28 -0.51 4.01 3.77 2byzC1 GLY 29 HA3 -0.01 -0.01 0.42 -0.51 4.01 3.90 2byzC1 ARG 30 H -0.03 0.45 -0.02 -0.55 8.46 8.30 2byzC1 ARG 30 HA -0.01 0.06 0.58 -0.75 4.34 4.21 2byzC1 ARG 30 HB2 -0.03 0.00 0.03 -0.04 1.90 1.86 2byzC1 ARG 30 HB3 -0.03 -0.07 0.12 -0.04 1.80 1.78 2byzC1 ARG 30 HG2 -0.01 0.20 -0.15 -0.04 1.67 1.66 2byzC1 ARG 30 HG3 -0.01 -0.04 0.04 -0.04 1.67 1.62 2byzC1 ARG 30 HD2 -0.02 -0.02 -0.02 -0.04 3.22 3.12 2byzC1 ARG 30 HD3 -0.02 -0.02 -0.04 -0.04 3.22 3.11 2byzC1 SER 31 H -0.00 0.10 0.22 -0.55 8.46 8.23 2byzC1 SER 31 HA -0.01 0.10 0.66 -0.75 4.49 4.48 2byzC1 SER 31 HB2 0.00 0.13 0.23 -0.04 3.95 4.28 2byzC1 SER 31 HB3 0.01 -0.05 0.22 -0.04 3.93 4.07 2byzC1 GLY 32 H 0.01 0.89 0.34 -0.55 8.43 9.12 2byzC1 GLY 32 HA2 0.02 0.22 0.83 -0.51 4.01 4.57 2byzC1 GLY 32 HA3 0.00 -0.10 0.16 -0.51 4.01 3.57 2byzC1 ILE 33 H 0.05 0.09 -0.09 -0.55 8.25 7.75 2byzC1 ILE 33 HA 0.14 0.21 0.67 -0.75 4.18 4.45 2byzC1 ILE 33 HB 0.07 0.02 -0.11 -0.04 1.89 1.83 2byzC1 ILE 33 HG12 0.05 0.10 -0.11 -0.04 1.49 1.48 2byzC1 ILE 33 HG13 0.06 -0.03 -0.14 -0.04 1.21 1.07 2byzC1 ILE 33 HG23 0.14 -0.04 -0.22 -0.04 0.93 0.77 2byzC1 ILE 33 HD13 0.09 -0.04 -0.54 -0.04 0.88 0.35 2byzC1 THR 34 H 0.29 0.53 0.39 -0.55 8.28 8.94 2byzC1 THR 34 HA 0.15 0.17 0.87 -0.75 4.39 4.84 2byzC1 THR 34 HB 0.19 -0.04 0.16 -0.04 4.32 4.58 2byzC1 THR 34 HG23 0.13 0.04 -0.26 -0.04 1.22 1.09 2byzC1 PHE 35 H 0.25 0.15 0.20 -0.55 8.34 8.38 2byzC1 PHE 35 HA -0.03 0.18 0.69 -0.75 4.62 4.71 2byzC1 PHE 35 HB2 0.01 0.10 0.15 -0.04 3.15 3.37 2byzC1 PHE 35 HB3 0.01 -0.04 0.16 -0.04 3.06 3.15 2byzC1 PHE 35 HD2 -0.01 0.03 -0.02 -0.04 7.28 7.25 2byzC1 PHE 35 HE2 -0.01 -0.02 -0.05 -0.04 7.38 7.25 2byzC1 PHE 35 HZ -0.12 0.00 -0.06 -0.04 7.32 7.09 2byzC1 SER 36 H -0.96 0.91 0.33 -0.55 8.46 8.19 2byzC1 SER 36 HA -0.75 0.19 1.04 -0.75 4.49 4.22 2byzC1 SER 36 HB2 -2.90 0.10 -0.17 -0.04 3.95 0.94 2byzC1 SER 36 HB3 -1.22 0.06 -0.11 -0.04 3.93 2.61 2byzC1 GLN 37 H -0.47 0.27 0.10 -0.55 8.47 7.82 2byzC1 GLN 37 HA -0.43 0.15 0.45 -0.75 4.36 3.77 2byzC1 GLN 37 HB2 -0.00 0.08 0.10 -0.04 2.15 2.28 2byzC1 GLN 37 HB3 -0.09 -0.02 0.06 -0.04 2.02 1.93 2byzC1 GLN 37 HG2 0.01 0.05 -0.00 -0.04 2.40 2.41 2byzC1 GLN 37 HG3 -0.07 -0.03 -0.04 -0.04 2.39 2.21 2byzC1 GLN 37 HE21 0.04 0.06 -0.00 -0.04 6.97 7.03 2byzC1 GLN 37 HE22 -0.05 -0.04 0.04 -0.04 7.69 7.59 2byzC1 GLU 38 H -0.37 0.07 -0.16 -0.55 8.60 7.59 2byzC1 GLU 38 HA -0.12 0.16 0.40 -0.75 4.29 3.97 2byzC1 GLU 38 HB2 0.07 0.07 0.07 -0.04 2.09 2.27 2byzC1 GLU 38 HB3 -0.21 -0.06 0.03 -0.04 1.99 1.71 2byzC1 GLU 38 HG2 0.25 -0.03 -0.21 -0.04 2.34 2.31 2byzC1 GLU 38 HG3 0.20 0.10 0.02 -0.04 2.34 2.62 2byzC1 LEU 39 H -0.62 0.09 -0.26 -0.55 8.37 7.04 2byzC1 LEU 39 HA -0.04 -0.04 0.38 -0.75 4.35 3.90 2byzC1 LEU 39 HB2 -0.39 0.11 0.07 -0.04 1.64 1.39 2byzC1 LEU 39 HB3 -0.08 0.20 0.05 -0.04 1.64 1.77 2byzC1 LEU 39 HG -0.85 -0.09 -0.10 -0.04 1.64 0.56 2byzC1 LEU 39 HD13 -0.02 0.00 -0.20 -0.04 0.93 0.68 2byzC1 LEU 39 HD23 0.23 -0.04 -0.14 -0.04 0.89 0.90 2byzC1 LYS 40 H -0.46 0.36 -0.19 -0.55 8.42 7.57 2byzC1 LYS 40 HA -0.56 0.16 0.36 -0.75 4.32 3.53 2byzC1 LYS 40 HB2 -0.71 0.00 0.09 -0.04 1.87 1.22 2byzC1 LYS 40 HB3 -0.32 0.01 0.14 -0.04 1.79 1.58 2byzC1 LYS 40 HG2 -0.25 0.02 -0.20 -0.04 1.46 0.98 2byzC1 LYS 40 HG3 -0.78 0.05 -0.00 -0.04 1.46 0.68 2byzC1 LYS 40 HD2 0.11 -0.01 -0.03 -0.04 1.69 1.71 2byzC1 LYS 40 HD3 0.06 -0.03 -0.03 -0.04 1.68 1.64 2byzC1 LYS 40 HE2 -0.04 0.01 -0.05 -0.04 2.99 2.87 2byzC1 LYS 40 HE3 0.01 0.02 -0.03 -0.04 2.99 2.95 2byzC1 ASP 41 H -0.24 0.60 -0.09 -0.55 8.40 8.11 2byzC1 ASP 41 HA -0.16 0.07 0.41 -0.75 4.63 4.20 2byzC1 ASP 41 HB2 -0.18 0.00 0.13 -0.04 2.71 2.62 2byzC1 ASP 41 HB3 -0.16 -0.03 0.06 -0.04 2.70 2.53 2byzC1 SER 42 H -0.25 0.28 -0.48 -0.55 8.46 7.46 2byzC1 SER 42 HA -0.55 0.07 0.49 -0.75 4.49 3.75 2byzC1 SER 42 HB2 -0.69 -0.08 0.10 -0.04 3.95 3.25 2byzC1 SER 42 HB3 -0.51 -0.01 0.11 -0.04 3.93 3.47 2byzC1 GLY 43 H -0.15 0.47 -0.42 -0.55 8.43 7.78 2byzC1 GLY 43 HA2 -0.06 0.06 0.28 -0.51 4.01 3.78 2byzC1 GLY 43 HA3 -0.07 0.09 0.69 -0.51 4.01 4.21 2byzC1 MET 44 H -0.03 0.24 -0.02 -0.55 8.47 8.11 2byzC1 MET 44 HA 0.06 0.07 0.49 -0.75 4.52 4.39 2byzC1 MET 44 HB2 0.06 0.23 0.05 -0.04 2.15 2.45 2byzC1 MET 44 HB3 0.10 -0.16 0.06 -0.04 2.03 1.99 2byzC1 MET 44 HG2 0.11 -0.05 0.05 -0.04 2.63 2.70 2byzC1 MET 44 HG3 0.11 0.07 -0.06 -0.04 2.56 2.63 2byzC1 MET 44 HE3 0.12 0.03 -0.05 -0.04 2.10 2.15 2byzC1 ARG 45 H 0.05 0.03 0.17 -0.55 8.46 8.16 2byzC1 ARG 45 HA 0.02 0.21 0.65 -0.75 4.34 4.46 2byzC1 ARG 45 HB2 -0.00 -0.06 0.08 -0.04 1.90 1.87 2byzC1 ARG 45 HB3 -0.04 0.02 0.06 -0.04 1.80 1.79 2byzC1 ARG 45 HG2 0.01 0.06 0.00 -0.04 1.67 1.70 2byzC1 ARG 45 HG3 0.02 -0.00 0.01 -0.04 1.67 1.66 2byzC1 ARG 45 HD2 -0.01 -0.00 0.01 -0.04 3.22 3.18 2byzC1 ARG 45 HD3 0.01 0.03 0.01 -0.04 3.22 3.22 2byzC1 SER 46 H 0.04 -0.05 0.01 -0.55 8.46 7.91 2byzC1 SER 46 HA -0.08 0.22 0.83 -0.75 4.49 4.70 2byzC1 SER 46 HB2 -0.02 0.02 -0.04 -0.04 3.95 3.87 2byzC1 SER 46 HB3 0.03 -0.13 0.13 -0.04 3.93 3.91 2byzC1 HIS 47 H -0.03 0.19 0.10 -0.55 8.41 8.12 2byzC1 HIS 47 HA -0.21 0.14 0.83 -0.75 4.63 4.63 2byzC1 HIS 47 HB2 0.15 0.02 0.07 -0.04 3.26 3.46 2byzC1 HIS 47 HB3 -0.06 -0.04 0.17 -0.04 3.20 3.23 2byzC1 HIS 47 HD2 -0.05 0.01 -1.19 -0.04 6.97 5.70 2byzC1 HIS 47 HE1 0.03 -0.00 -0.03 -0.04 7.75 7.70 2byzC1 VAL 48 H 0.00 0.17 -0.07 -0.55 8.24 7.79 2byzC1 VAL 48 HA -0.10 0.28 1.11 -0.75 4.13 4.67 2byzC1 VAL 48 HB 0.12 0.09 -0.02 -0.04 2.12 2.27 2byzC1 VAL 48 HG13 0.14 -0.02 -0.26 -0.04 0.97 0.79 2byzC1 VAL 48 HG23 0.08 -0.03 -0.10 -0.04 0.95 0.86 2byzC1 TRP 49 H 0.30 0.62 0.32 -0.55 7.97 8.66 2byzC1 TRP 49 HA 0.04 0.15 0.52 -0.75 4.62 4.58 2byzC1 TRP 49 HB2 0.04 0.02 -0.01 -0.04 3.23 3.24 2byzC1 TRP 49 HB3 0.03 0.02 -0.21 -0.04 3.23 3.03 2byzC1 TRP 49 HD1 0.02 0.03 -0.01 -0.04 7.22 7.22 2byzC1 TRP 49 HE1 -0.00 0.10 -0.13 -0.04 10.20 10.13 2byzC1 TRP 49 HE3 0.05 -0.00 -0.21 -0.04 7.59 7.38 2byzC1 TRP 49 HZ2 0.00 0.07 -0.03 -0.04 7.44 7.45 2byzC1 TRP 49 HZ3 0.08 -0.13 -0.22 -0.04 7.13 6.82 2byzC1 TRP 49 HH2 0.04 0.02 -0.05 -0.04 7.19 7.16 2byzC1 GLY 50 H 0.16 0.58 0.30 -0.55 8.43 8.92 2byzC1 GLY 50 HA2 0.07 0.37 0.82 -0.51 4.01 4.75 2byzC1 GLY 50 HA3 0.03 0.13 0.35 -0.51 4.01 4.02 2byzC1 ASN 51 H -0.09 0.35 0.06 -0.55 8.53 8.29 2byzC1 ASN 51 HA -0.49 -0.03 0.71 -0.75 4.76 4.20 2byzC1 ASN 51 HB2 -0.40 0.04 -0.02 -0.04 2.88 2.45 2byzC1 ASN 51 HB3 -1.19 -0.09 -0.06 -0.04 2.79 1.41 2byzC1 ASN 51 HD21 0.11 0.03 -0.09 -0.04 7.03 7.04 2byzC1 ASN 51 HD22 0.03 -0.00 -0.14 -0.04 7.74 7.58 2byzC1 VAL 52 H -0.28 0.02 0.10 -0.55 8.24 7.53 2byzC1 VAL 52 HA -0.17 0.18 0.30 -0.75 4.13 3.68 2byzC1 VAL 52 HB -0.21 -0.06 0.09 -0.04 2.12 1.90 2byzC1 VAL 52 HG13 -0.14 -0.00 -0.20 -0.04 0.97 0.58 2byzC1 VAL 52 HG23 -0.76 -0.02 -0.21 -0.04 0.95 -0.08 2byzC1 LYS 53 H -0.06 0.26 0.01 -0.55 8.42 8.08 2byzC1 LYS 53 HA -0.00 0.12 0.67 -0.75 4.32 4.35 2byzC1 LYS 53 HB2 -0.01 -0.00 0.17 -0.04 1.87 1.99 2byzC1 LYS 53 HB3 0.01 -0.01 0.11 -0.04 1.79 1.86 2byzC1 LYS 53 HG2 0.02 -0.05 -0.09 -0.04 1.46 1.30 2byzC1 LYS 53 HG3 -0.02 0.13 -0.15 -0.04 1.46 1.38 2byzC1 LYS 53 HD2 0.00 0.02 0.05 -0.04 1.69 1.72 2byzC1 LYS 53 HD3 0.02 -0.06 0.01 -0.04 1.68 1.62 2byzC1 LYS 53 HE2 0.03 0.03 0.04 -0.04 2.99 3.05 2byzC1 LYS 53 HE3 0.05 -0.13 -0.03 -0.04 2.99 2.85 2byzC1 LEU 54 H 0.00 0.35 -0.32 -0.55 8.37 7.86 2byzC1 LEU 54 HA 0.02 0.17 0.71 -0.75 4.35 4.50 2byzC1 LEU 54 HB2 0.01 0.05 -0.20 -0.04 1.64 1.46 2byzC1 LEU 54 HB3 0.03 -0.09 -0.13 -0.04 1.64 1.40 2byzC1 LEU 54 HG 0.05 -0.02 -0.64 -0.04 1.64 0.99 2byzC1 LEU 54 HD13 0.03 -0.01 0.01 -0.04 0.93 0.91 2byzC1 LEU 54 HD23 0.06 -0.00 -0.10 -0.04 0.89 0.81 2byzC1 ASP 55 H 0.03 0.24 0.07 -0.55 8.40 8.19 2byzC1 ASP 55 HA 0.03 0.06 0.69 -0.75 4.63 4.66 2byzC1 ASP 55 HB2 0.02 0.04 0.08 -0.04 2.71 2.81 2byzC1 ASP 55 HB3 0.02 0.07 0.19 -0.04 2.70 2.95 2byzC1 THR 56 H 0.04 0.19 0.12 -0.55 8.28 8.08 2byzC1 THR 56 HA 0.04 0.21 0.50 -0.75 4.39 4.39 2byzC1 THR 56 HB 0.02 -0.01 0.06 -0.04 4.32 4.34 2byzC1 THR 56 HG23 0.12 0.04 -0.11 -0.04 1.22 1.24 2byzC1 THR 57 H 0.01 0.02 -0.34 -0.55 8.28 7.42 2byzC1 THR 57 HA -0.02 -0.00 0.40 -0.75 4.39 4.01 2byzC1 THR 57 HB 0.00 0.05 0.04 -0.04 4.32 4.37 2byzC1 THR 57 HG23 -0.01 0.02 -0.11 -0.04 1.22 1.08 2byzC1 GLY 58 H -0.04 0.11 0.19 -0.55 8.43 8.15 2byzC1 GLY 58 HA2 -0.03 0.01 0.32 -0.51 4.01 3.80 2byzC1 GLY 58 HA3 -0.02 0.12 0.42 -0.51 4.01 4.02 2byzC1 LEU 59 H -0.02 0.36 -0.32 -0.55 8.37 7.85 2byzC1 LEU 59 HA 0.02 0.18 0.56 -0.75 4.35 4.35 2byzC1 LEU 59 HB2 0.02 0.00 0.01 -0.04 1.64 1.63 2byzC1 LEU 59 HB3 0.06 -0.02 0.05 -0.04 1.64 1.69 2byzC1 LEU 59 HG 0.02 0.04 -0.31 -0.04 1.64 1.35 2byzC1 LEU 59 HD13 0.05 -0.01 -0.03 -0.04 0.93 0.89 2byzC1 LEU 59 HD23 0.03 0.01 -0.11 -0.04 0.89 0.77 2byzC1 ILE 60 H -0.07 0.07 -0.17 -0.55 8.25 7.53 2byzC1 ILE 60 HA -0.09 0.23 0.86 -0.75 4.18 4.43 2byzC1 ILE 60 HB -0.24 -0.06 -0.02 -0.04 1.89 1.53 2byzC1 ILE 60 HG12 -0.22 0.14 -0.19 -0.04 1.49 1.18 2byzC1 ILE 60 HG13 -0.08 -0.11 -0.45 -0.04 1.21 0.54 2byzC1 ILE 60 HG23 -0.65 0.03 -0.09 -0.04 0.93 0.19 2byzC1 ILE 60 HD13 -0.33 0.00 -0.08 -0.04 0.88 0.43 2byzC1 ASP 61 H -0.11 0.20 0.09 -0.55 8.40 8.03 2byzC1 ASP 61 HA -0.06 0.10 0.37 -0.75 4.63 4.28 2byzC1 ASP 61 HB2 -0.09 -0.01 0.11 -0.04 2.71 2.68 2byzC1 ASP 61 HB3 -0.06 -0.06 0.04 -0.04 2.70 2.58 2byzC1 ARG 62 H -0.07 0.20 0.19 -0.55 8.46 8.23 2byzC1 ARG 62 HA -0.13 0.08 0.35 -0.75 4.34 3.89 2byzC1 ARG 62 HB2 -0.11 0.05 0.02 -0.04 1.90 1.82 2byzC1 ARG 62 HB3 -0.08 0.05 0.14 -0.04 1.80 1.86 2byzC1 ARG 62 HG2 -0.06 -0.08 0.15 -0.04 1.67 1.64 2byzC1 ARG 62 HG3 -0.06 0.04 -0.03 -0.04 1.67 1.58 2byzC1 ARG 62 HD2 -0.05 0.02 0.04 -0.04 3.22 3.19 2byzC1 ARG 62 HD3 -0.04 0.03 0.02 -0.04 3.22 3.19 2byzC1 LYS 63 H -0.07 0.08 -0.22 -0.55 8.42 7.65 2byzC1 LYS 63 HA -0.08 0.10 0.36 -0.75 4.32 3.95 2byzC1 LYS 63 HB2 -0.02 -0.07 0.05 -0.04 1.87 1.79 2byzC1 LYS 63 HB3 0.01 0.08 -0.12 -0.04 1.79 1.72 2byzC1 LYS 63 HG2 0.01 0.04 -0.00 -0.04 1.46 1.47 2byzC1 LYS 63 HG3 0.05 0.04 0.03 -0.04 1.46 1.54 2byzC1 LYS 63 HD2 -0.04 -0.00 -0.05 -0.04 1.69 1.55 2byzC1 LYS 63 HD3 -0.03 -0.05 -0.01 -0.04 1.68 1.55 2byzC1 LYS 63 HE2 0.02 0.03 -0.01 -0.04 2.99 2.98 2byzC1 LYS 63 HE3 -0.01 -0.00 -0.02 -0.04 2.99 2.92 2byzC1 VAL 64 H -0.09 0.20 -0.43 -0.55 8.24 7.37 2byzC1 VAL 64 HA 0.07 0.19 0.70 -0.75 4.13 4.34 2byzC1 VAL 64 HB -0.22 0.01 0.08 -0.04 2.12 1.94 2byzC1 VAL 64 HG13 -0.23 0.01 -0.11 -0.04 0.97 0.59 2byzC1 VAL 64 HG23 -0.06 -0.01 -0.05 -0.04 0.95 0.79 2byzC1 VAL 65 H -0.19 0.60 -0.01 -0.55 8.24 8.09 2byzC1 VAL 65 HA -0.22 0.02 0.28 -0.75 4.13 3.47 2byzC1 VAL 65 HB -0.23 0.00 -0.06 -0.04 2.12 1.79 2byzC1 VAL 65 HG13 -0.17 0.00 -0.18 -0.04 0.97 0.59 2byzC1 VAL 65 HG23 -0.18 -0.02 -0.02 -0.04 0.95 0.69 2byzC1 ARG 66 H -0.27 0.33 -0.57 -0.55 8.46 7.40 2byzC1 ARG 66 HA -0.43 0.02 0.36 -0.75 4.34 3.53 2byzC1 ARG 66 HB2 -1.18 -0.06 0.04 -0.04 1.90 0.66 2byzC1 ARG 66 HB3 -0.50 0.05 0.07 -0.04 1.80 1.38 2byzC1 ARG 66 HG2 -0.41 0.06 -0.25 -0.04 1.67 1.03 2byzC1 ARG 66 HG3 -1.49 -0.01 -0.23 -0.04 1.67 -0.10 2byzC1 ARG 66 HD2 -0.79 -0.07 -0.05 -0.04 3.22 2.27 2byzC1 ARG 66 HD3 -0.35 -0.05 -0.04 -0.04 3.22 2.73 2byzC1 PHE 67 H -0.09 0.42 -0.43 -0.55 8.34 7.69 2byzC1 PHE 67 HA -0.12 0.16 0.77 -0.75 4.62 4.67 2byzC1 PHE 67 HB2 -0.09 0.13 0.01 -0.04 3.15 3.16 2byzC1 PHE 67 HB3 -0.04 -0.12 0.08 -0.04 3.06 2.93 2byzC1 PHE 67 HD2 0.01 0.03 0.06 -0.04 7.28 7.34 2byzC1 PHE 67 HE2 0.08 0.06 0.03 -0.04 7.38 7.50 2byzC1 PHE 67 HZ 0.11 -0.02 -0.02 -0.04 7.32 7.35 2byzC1 MET 68 H -0.16 0.43 -0.31 -0.55 8.47 7.88 2byzC1 MET 68 HA -0.09 0.20 0.90 -0.75 4.52 4.77 2byzC1 MET 68 HB2 -0.16 0.02 -0.07 -0.04 2.15 1.90 2byzC1 MET 68 HB3 -0.10 -0.14 -0.06 -0.04 2.03 1.69 2byzC1 MET 68 HG2 -0.05 0.02 -0.19 -0.04 2.63 2.38 2byzC1 MET 68 HG3 -0.09 0.12 -0.07 -0.04 2.56 2.48 2byzC1 MET 68 HE3 -0.08 0.04 -0.19 -0.04 2.10 1.84 2byzC1 SER 69 H -0.11 0.08 0.17 -0.55 8.46 8.05 2byzC1 SER 69 HA -0.19 0.23 0.71 -0.75 4.49 4.49 2byzC1 SER 69 HB2 0.11 -0.17 0.19 -0.04 3.95 4.04 2byzC1 SER 69 HB3 -0.09 0.22 0.13 -0.04 3.93 4.15 2byzC1 ASP 70 H 0.01 0.16 0.16 -0.55 8.40 8.18 2byzC1 ASP 70 HA -0.34 0.16 0.34 -0.75 4.63 4.04 2byzC1 ASP 70 HB2 -0.12 -0.12 0.18 -0.04 2.71 2.61 2byzC1 ASP 70 HB3 -0.58 0.04 0.03 -0.04 2.70 2.15 2byzC1 ALA 71 H -0.07 0.11 -0.19 -0.55 8.40 7.71 2byzC1 ALA 71 HA 0.05 0.03 0.21 -0.75 4.34 3.88 2byzC1 ALA 71 HB3 0.03 0.01 -0.08 -0.04 1.41 1.33 2byzC1 SER 72 H -0.05 0.12 -0.32 -0.55 8.46 7.67 2byzC1 SER 72 HA 0.04 0.06 0.29 -0.75 4.49 4.12 2byzC1 SER 72 HB2 -0.05 0.06 0.03 -0.04 3.95 3.95 2byzC1 SER 72 HB3 0.02 0.13 -0.13 -0.04 3.93 3.91 2byzC1 ILE 73 H -0.15 0.34 -0.26 -0.55 8.25 7.63 2byzC1 ILE 73 HA -0.03 0.10 0.35 -0.75 4.18 3.84 2byzC1 ILE 73 HB -0.35 -0.00 0.11 -0.04 1.89 1.61 2byzC1 ILE 73 HG12 -0.16 0.02 -0.09 -0.04 1.49 1.22 2byzC1 ILE 73 HG13 -0.16 0.13 -0.21 -0.04 1.21 0.94 2byzC1 ILE 73 HG23 -0.05 -0.00 -0.17 -0.04 0.93 0.67 2byzC1 ILE 73 HD13 -0.14 -0.00 -0.15 -0.04 0.88 0.54 2byzC1 TYR 74 H -0.24 0.61 -0.10 -0.55 8.29 8.01 2byzC1 TYR 74 HA 0.03 0.05 0.32 -0.75 4.56 4.21 2byzC1 TYR 74 HB2 0.01 0.07 -0.02 -0.04 3.06 3.08 2byzC1 TYR 74 HB3 0.00 -0.06 -0.18 -0.04 2.98 2.71 2byzC1 TYR 74 HD2 -0.01 0.01 -0.05 -0.04 7.15 7.05 2byzC1 TYR 74 HE2 -0.04 -0.01 0.03 -0.04 6.85 6.78 2byzC1 ALA 75 H 0.13 0.44 -0.29 -0.55 8.40 8.13 2byzC1 ALA 75 HA 0.06 0.01 0.36 -0.75 4.34 4.01 2byzC1 ALA 75 HB3 0.07 0.01 -0.11 -0.04 1.41 1.34 2byzC1 PHE 76 H 0.24 0.62 -0.24 -0.55 8.34 8.41 2byzC1 PHE 76 HA 0.15 0.04 0.30 -0.75 4.62 4.36 2byzC1 PHE 76 HB2 0.05 0.09 0.03 -0.04 3.15 3.29 2byzC1 PHE 76 HB3 0.04 0.05 0.12 -0.04 3.06 3.23 2byzC1 PHE 76 HD2 0.07 0.05 -0.20 -0.04 7.28 7.16 2byzC1 PHE 76 HE2 -0.24 0.05 -0.05 -0.04 7.38 7.10 2byzC1 PHE 76 HZ -0.31 0.01 -0.04 -0.04 7.32 6.93 2byzC1 LEU 77 H 0.27 0.58 -0.16 -0.55 8.37 8.51 2byzC1 LEU 77 HA 0.17 0.07 0.39 -0.75 4.35 4.23 2byzC1 LEU 77 HB2 0.15 0.04 0.05 -0.04 1.64 1.84 2byzC1 LEU 77 HB3 0.11 0.00 -0.02 -0.04 1.64 1.69 2byzC1 LEU 77 HG 0.22 0.12 0.01 -0.04 1.64 1.94 2byzC1 LEU 77 HD13 0.13 -0.03 -0.10 -0.04 0.93 0.90 2byzC1 LEU 77 HD23 0.18 -0.00 -0.05 -0.04 0.89 0.97 2byzC1 SER 78 H 0.06 0.44 -0.42 -0.55 8.46 7.99 2byzC1 SER 78 HA -0.01 -0.04 0.21 -0.75 4.49 3.89 2byzC1 SER 78 HB2 -0.01 0.18 -0.11 -0.04 3.95 3.97 2byzC1 SER 78 HB3 -0.04 -0.01 -0.35 -0.04 3.93 3.49 2byzC1 MET 79 H -0.12 0.54 -0.31 -0.55 8.47 8.04 2byzC1 MET 79 HA -0.26 -0.00 0.35 -0.75 4.52 3.86 2byzC1 MET 79 HB2 -0.35 -0.00 -0.03 -0.04 2.15 1.73 2byzC1 MET 79 HB3 -0.56 0.14 0.05 -0.04 2.03 1.62 2byzC1 MET 79 HG2 -1.71 0.04 -0.23 -0.04 2.63 0.69 2byzC1 MET 79 HG3 -0.88 -0.06 -0.07 -0.04 2.56 1.51 2byzC1 MET 79 HE3 -1.53 0.02 -0.14 -0.04 2.10 0.42 2byzC1 GLU 80 H -0.18 0.49 -0.19 -0.55 8.60 8.17 2byzC1 GLU 80 HA -0.10 0.05 0.38 -0.75 4.29 3.87 2byzC1 GLU 80 HB2 -0.01 0.13 0.17 -0.04 2.09 2.34 2byzC1 GLU 80 HB3 0.02 -0.02 -0.02 -0.04 1.99 1.92 2byzC1 GLU 80 HG2 0.05 -0.01 0.02 -0.04 2.34 2.37 2byzC1 GLU 80 HG3 -0.23 0.10 0.02 -0.04 2.34 2.19 2byzC1 GLN 81 H -0.05 0.41 -0.27 -0.55 8.47 8.01 2byzC1 GLN 81 HA -0.00 0.03 0.47 -0.75 4.36 4.10 2byzC1 GLN 81 HB2 -0.02 0.10 0.26 -0.04 2.15 2.44 2byzC1 GLN 81 HB3 -0.00 -0.03 0.17 -0.04 2.02 2.12 2byzC1 GLN 81 HG2 0.01 -0.03 0.13 -0.04 2.40 2.47 2byzC1 GLN 81 HG3 0.01 0.24 0.13 -0.04 2.39 2.73 2byzC1 GLN 81 HE21 0.01 0.40 0.05 -0.04 6.97 7.40 2byzC1 GLN 81 HE22 0.03 -0.02 -0.06 -0.04 7.69 7.60 2byzC1 ALA 82 H -0.08 0.45 -0.26 -0.55 8.40 7.96 2byzC1 ALA 82 HA -0.00 0.10 0.19 -0.75 4.34 3.87 2byzC1 ALA 82 HB3 -0.04 0.02 -0.24 -0.04 1.41 1.11 2byzC1 ILE 83 H -0.14 0.55 -0.29 -0.55 8.25 7.81 2byzC1 ILE 83 HA -0.03 0.02 0.40 -0.75 4.18 3.80 2byzC1 ILE 83 HB -0.16 0.10 0.14 -0.04 1.89 1.93 2byzC1 ILE 83 HG12 -0.53 -0.03 -0.07 -0.04 1.49 0.81 2byzC1 ILE 83 HG13 -0.52 0.06 -0.04 -0.04 1.21 0.66 2byzC1 ILE 83 HG23 -0.05 -0.02 -0.14 -0.04 0.93 0.68 2byzC1 ILE 83 HD13 -0.94 -0.02 -0.13 -0.04 0.88 -0.26 2byzC1 ALA 84 H -0.02 0.47 -0.09 -0.55 8.40 8.21 2byzC1 ALA 84 HA 0.03 0.06 0.47 -0.75 4.34 4.15 2byzC1 ALA 84 HB3 0.02 -0.00 0.13 -0.04 1.41 1.52 2byzC1 ASP 85 H 0.02 0.62 -0.06 -0.55 8.40 8.43 2byzC1 ASP 85 HA 0.05 0.00 0.47 -0.75 4.63 4.40 2byzC1 ASP 85 HB2 0.06 0.02 0.23 -0.04 2.71 2.99 2byzC1 ASP 85 HB3 0.08 -0.04 0.29 -0.04 2.70 2.99 2byzC1 ALA 86 H 0.05 0.40 -0.21 -0.55 8.40 8.09 2byzC1 ALA 86 HA 0.08 0.34 0.67 -0.75 4.34 4.68 2byzC1 ALA 86 HB3 0.03 -0.08 0.02 -0.04 1.41 1.35 2byzC1 GLY 87 H 0.04 0.25 -0.46 -0.55 8.43 7.71 2byzC1 GLY 87 HA2 0.04 -0.00 0.29 -0.51 4.01 3.83 2byzC1 GLY 87 HA3 0.04 0.08 0.49 -0.51 4.01 4.11 2byzC1 LEU 88 H 0.06 0.39 -0.02 -0.55 8.37 8.25 2byzC1 LEU 88 HA 0.11 0.14 0.73 -0.75 4.35 4.57 2byzC1 LEU 88 HB2 0.05 -0.03 0.06 -0.04 1.64 1.68 2byzC1 LEU 88 HB3 0.25 -0.03 -0.10 -0.04 1.64 1.72 2byzC1 LEU 88 HG 0.04 0.07 -0.24 -0.04 1.64 1.47 2byzC1 LEU 88 HD13 -0.01 -0.03 -0.11 -0.04 0.93 0.74 2byzC1 LEU 88 HD23 0.10 0.02 -0.11 -0.04 0.89 0.86 2byzC1 SER 89 H 0.13 0.17 0.17 -0.55 8.46 8.39 2byzC1 SER 89 HA 0.12 0.21 0.67 -0.75 4.49 4.74 2byzC1 SER 89 HB2 0.05 -0.06 0.08 -0.04 3.95 3.98 2byzC1 SER 89 HB3 0.04 -0.05 0.09 -0.04 3.93 3.97 2byzC1 PRO 90 HA -0.73 0.08 0.42 -0.51 4.44 3.69 2byzC1 PRO 90 HB2 -0.09 0.02 0.04 -0.04 2.28 2.21 2byzC1 PRO 90 HB3 -0.17 0.07 0.07 -0.04 2.02 1.95 2byzC1 PRO 90 HG2 0.02 0.04 0.08 -0.04 2.03 2.12 2byzC1 PRO 90 HG3 0.09 0.08 0.06 -0.04 2.03 2.22 2byzC1 PRO 90 HD2 0.02 0.08 0.21 -0.04 3.68 3.95 2byzC1 PRO 90 HD3 0.11 0.23 0.24 -0.04 3.65 4.19 2byzC1 GLU 91 H -0.04 0.09 -0.21 -0.55 8.60 7.89 2byzC1 GLU 91 HA -0.07 0.11 0.32 -0.75 4.29 3.89 2byzC1 GLU 91 HB2 -0.01 -0.03 -0.01 -0.04 2.09 2.01 2byzC1 GLU 91 HB3 -0.02 0.05 0.03 -0.04 1.99 2.02 2byzC1 GLU 91 HG2 -0.02 0.02 0.02 -0.04 2.34 2.32 2byzC1 GLU 91 HG3 -0.04 0.01 0.01 -0.04 2.34 2.28 2byzC1 ALA 92 H -0.00 0.27 -0.60 -0.55 8.40 7.53 2byzC1 ALA 92 HA 0.03 0.19 0.78 -0.75 4.34 4.59 2byzC1 ALA 92 HB3 0.11 -0.01 0.04 -0.04 1.41 1.51 2byzC1 TYR 93 H -0.01 0.22 0.05 -0.55 8.29 8.00 2byzC1 TYR 93 HA 0.05 0.19 0.90 -0.75 4.56 4.94 2byzC1 TYR 93 HB2 0.21 -0.05 0.01 -0.04 3.06 3.19 2byzC1 TYR 93 HB3 0.12 -0.04 -0.08 -0.04 2.98 2.94 2byzC1 TYR 93 HD2 0.10 0.02 -0.34 -0.04 7.15 6.89 2byzC1 TYR 93 HE2 0.07 0.06 -0.20 -0.04 6.85 6.75 2byzC1 GLN 94 H -0.50 0.39 0.06 -0.55 8.47 7.87 2byzC1 GLN 94 HA -0.15 0.22 0.64 -0.75 4.36 4.31 2byzC1 GLN 94 HB2 -0.28 0.04 0.03 -0.04 2.15 1.91 2byzC1 GLN 94 HB3 -0.21 -0.04 0.06 -0.04 2.02 1.80 2byzC1 GLN 94 HG2 -0.51 0.22 -0.02 -0.04 2.40 2.05 2byzC1 GLN 94 HG3 -1.03 -0.13 0.13 -0.04 2.39 1.31 2byzC1 GLN 94 HE21 -0.02 -0.06 -0.03 -0.04 6.97 6.82 2byzC1 GLN 94 HE22 0.06 0.01 -0.03 -0.04 7.69 7.69 2byzC1 ASN 95 H -0.32 0.67 0.31 -0.55 8.53 8.64 2byzC1 ASN 95 HA -1.52 -0.00 0.29 -0.75 4.76 2.77 2byzC1 ASN 95 HB2 -0.19 0.10 -0.27 -0.04 2.88 2.48 2byzC1 ASN 95 HB3 -0.17 -0.05 0.21 -0.04 2.79 2.74 2byzC1 ASN 95 HD21 0.04 -0.04 -0.01 -0.04 7.03 6.98 2byzC1 ASN 95 HD22 0.04 -0.01 0.02 -0.04 7.74 7.75 2byzC1 ASN 96 H -0.11 0.17 -0.24 -0.55 8.53 7.81 2byzC1 ASN 96 HA 0.02 0.21 0.88 -0.75 4.76 5.11 2byzC1 ASN 96 HB2 -0.00 0.26 -0.33 -0.04 2.88 2.76 2byzC1 ASN 96 HB3 0.04 0.01 0.06 -0.04 2.79 2.86 2byzC1 ASN 96 HD21 0.06 -0.12 0.01 -0.04 7.03 6.94 2byzC1 ASN 96 HD22 0.05 0.64 0.12 -0.04 7.74 8.51 2byzC1 PRO 97 HA 0.10 0.11 0.18 -0.51 4.44 4.33 2byzC1 PRO 97 HB2 0.04 0.02 -0.00 -0.04 2.28 2.30 2byzC1 PRO 97 HB3 0.05 0.05 0.07 -0.04 2.02 2.14 2byzC1 PRO 97 HG2 0.06 0.02 0.06 -0.04 2.03 2.14 2byzC1 PRO 97 HG3 0.12 0.05 0.01 -0.04 2.03 2.17 2byzC1 PRO 97 HD2 0.05 0.08 0.19 -0.04 3.68 3.97 2byzC1 PRO 97 HD3 0.09 0.34 0.17 -0.04 3.65 4.21 2byzC1 ARG 98 H 0.03 0.10 -0.42 -0.55 8.46 7.62 2byzC1 ARG 98 HA -0.00 0.32 0.86 -0.75 4.34 4.77 2byzC1 ARG 98 HB2 0.00 0.05 0.07 -0.04 1.90 1.97 2byzC1 ARG 98 HB3 -0.03 -0.20 0.21 -0.04 1.80 1.74 2byzC1 ARG 98 HG2 0.01 0.17 -0.07 -0.04 1.67 1.74 2byzC1 ARG 98 HG3 0.02 -0.04 -0.06 -0.04 1.67 1.54 2byzC1 ARG 98 HD2 0.02 0.02 -0.03 -0.04 3.22 3.18 2byzC1 ARG 98 HD3 0.03 -0.02 -0.01 -0.04 3.22 3.18 2byzC1 VAL 99 H 0.04 0.55 -0.26 -0.55 8.24 8.02 2byzC1 VAL 99 HA -0.06 0.26 1.14 -0.75 4.13 4.72 2byzC1 VAL 99 HB 0.10 0.12 0.28 -0.04 2.12 2.58 2byzC1 VAL 99 HG13 0.20 -0.03 -0.08 -0.04 0.97 1.02 2byzC1 VAL 99 HG23 0.02 -0.04 -0.06 -0.04 0.95 0.83 2byzC1 GLY 100 H -0.05 0.59 0.40 -0.55 8.43 8.82 2byzC1 GLY 100 HA2 0.04 0.21 0.94 -0.51 4.01 4.68 2byzC1 GLY 100 HA3 -0.04 -0.12 0.38 -0.51 4.01 3.73 2byzC1 LEU 101 H -0.07 0.87 0.23 -0.55 8.37 8.86 2byzC1 LEU 101 HA 0.04 0.17 0.88 -0.75 4.35 4.68 2byzC1 LEU 101 HB2 0.08 0.07 -0.22 -0.04 1.64 1.53 2byzC1 LEU 101 HB3 0.01 -0.00 0.08 -0.04 1.64 1.69 2byzC1 LEU 101 HG 0.00 0.06 -0.11 -0.04 1.64 1.55 2byzC1 LEU 101 HD13 -0.10 -0.01 -0.21 -0.04 0.93 0.58 2byzC1 LEU 101 HD23 -0.01 -0.01 -0.25 -0.04 0.89 0.57 2byzC1 ILE 102 H -0.05 0.81 0.24 -0.55 8.25 8.70 2byzC1 ILE 102 HA -0.15 0.35 0.96 -0.75 4.18 4.58 2byzC1 ILE 102 HB -0.08 0.04 0.12 -0.04 1.89 1.92 2byzC1 ILE 102 HG12 -0.63 0.04 -0.21 -0.04 1.49 0.65 2byzC1 ILE 102 HG13 -0.22 -0.08 -0.55 -0.04 1.21 0.31 2byzC1 ILE 102 HG23 0.05 -0.03 -0.12 -0.04 0.93 0.78 2byzC1 ILE 102 HD13 -0.08 -0.01 -0.25 -0.04 0.88 0.50 2byzC1 ALA 103 H 0.01 0.44 0.22 -0.55 8.40 8.51 2byzC1 ALA 103 HA 0.01 0.26 0.73 -0.75 4.34 4.59 2byzC1 ALA 103 HB3 0.00 0.00 -0.36 -0.04 1.41 1.01 2byzC1 GLY 104 H 0.03 0.42 0.36 -0.55 8.43 8.70 2byzC1 GLY 104 HA2 0.05 0.09 0.81 -0.51 4.01 4.45 2byzC1 GLY 104 HA3 0.05 0.06 0.31 -0.51 4.01 3.93 2byzC1 SER 105 H 0.05 0.33 0.30 -0.55 8.46 8.58 2byzC1 SER 105 HA 0.04 0.29 1.03 -0.75 4.49 5.10 2byzC1 SER 105 HB2 0.04 -0.09 0.37 -0.04 3.95 4.24 2byzC1 SER 105 HB3 0.04 0.04 0.06 -0.04 3.93 4.03 2byzC1 GLY 106 H 0.04 0.13 0.36 -0.55 8.43 8.41 2byzC1 GLY 106 HA2 0.05 0.09 0.72 -0.51 4.01 4.35 2byzC1 GLY 106 HA3 0.04 -0.03 0.46 -0.51 4.01 3.96 2byzC1 GLY 107 H 0.06 -0.00 0.07 -0.55 8.43 8.01 2byzC1 GLY 107 HA2 0.06 0.30 0.86 -0.51 4.01 4.71 2byzC1 GLY 107 HA3 0.07 0.02 0.30 -0.51 4.01 3.89 2byzC1 GLY 108 H 0.05 0.00 -0.03 -0.55 8.43 7.91 2byzC1 GLY 108 HA2 0.04 0.03 0.32 -0.51 4.01 3.89 2byzC1 GLY 108 HA3 0.05 0.23 0.33 -0.51 4.01 4.11 2byzC1 SER 109 H 0.06 0.37 0.18 -0.55 8.46 8.52 2byzC1 SER 109 HA 0.06 0.04 0.72 -0.75 4.49 4.56 2byzC1 SER 109 HB2 0.10 0.09 0.01 -0.04 3.95 4.12 2byzC1 SER 109 HB3 0.15 0.17 0.10 -0.04 3.93 4.30 2byzC1 PRO 110 HA -0.01 0.17 0.49 -0.51 4.44 4.58 2byzC1 PRO 110 HB2 -0.09 -0.14 -0.09 -0.04 2.28 1.92 2byzC1 PRO 110 HB3 -0.06 0.18 -0.02 -0.04 2.02 2.07 2byzC1 PRO 110 HG2 0.03 -0.01 0.02 -0.04 2.03 2.03 2byzC1 PRO 110 HG3 0.02 0.20 0.06 -0.04 2.03 2.26 2byzC1 PRO 110 HD2 0.02 -0.02 0.07 -0.04 3.68 3.71 2byzC1 PRO 110 HD3 0.04 0.28 -0.26 -0.04 3.65 3.68 2byzC1 ARG 111 H -0.05 0.06 -0.25 -0.55 8.46 7.67 2byzC1 ARG 111 HA -0.22 0.10 0.39 -0.75 4.34 3.86 2byzC1 ARG 111 HB2 -0.18 -0.06 0.06 -0.04 1.90 1.68 2byzC1 ARG 111 HB3 -0.11 -0.07 0.08 -0.04 1.80 1.66 2byzC1 ARG 111 HG2 -0.75 0.06 -0.20 -0.04 1.67 0.74 2byzC1 ARG 111 HG3 -0.33 0.04 -0.05 -0.04 1.67 1.30 2byzC1 ARG 111 HD2 -0.16 -0.05 0.02 -0.04 3.22 2.99 2byzC1 ARG 111 HD3 -0.25 0.11 -0.01 -0.04 3.22 3.03 2byzC1 PHE 112 H 0.15 0.09 -0.14 -0.55 8.34 7.89 2byzC1 PHE 112 HA 0.13 0.13 0.55 -0.75 4.62 4.68 2byzC1 PHE 112 HB2 0.02 0.01 -0.02 -0.04 3.15 3.12 2byzC1 PHE 112 HB3 0.08 0.08 0.00 -0.04 3.06 3.18 2byzC1 PHE 112 HD2 -0.07 -0.05 0.02 -0.04 7.28 7.13 2byzC1 PHE 112 HE2 -0.25 -0.03 0.01 -0.04 7.38 7.08 2byzC1 PHE 112 HZ -0.17 0.05 -0.01 -0.04 7.32 7.15 2byzC1 GLN 113 H 0.10 0.35 -0.27 -0.55 8.47 8.11 2byzC1 GLN 113 HA 0.11 0.08 0.49 -0.75 4.36 4.28 2byzC1 GLN 113 HB2 0.06 0.04 0.11 -0.04 2.15 2.32 2byzC1 GLN 113 HB3 0.03 0.02 0.18 -0.04 2.02 2.21 2byzC1 GLN 113 HG2 0.03 -0.00 -0.00 -0.04 2.40 2.38 2byzC1 GLN 113 HG3 0.02 0.02 -0.17 -0.04 2.39 2.22 2byzC1 GLN 113 HE21 0.03 0.02 0.02 -0.04 6.97 7.00 2byzC1 GLN 113 HE22 0.02 -0.01 0.01 -0.04 7.69 7.67 2byzC1 VAL 114 H -0.00 0.52 -0.09 -0.55 8.24 8.12 2byzC1 VAL 114 HA -0.00 0.06 0.47 -0.75 4.13 3.90 2byzC1 VAL 114 HB -0.09 0.05 0.17 -0.04 2.12 2.21 2byzC1 VAL 114 HG13 0.01 -0.00 -0.06 -0.04 0.97 0.88 2byzC1 VAL 114 HG23 -0.11 0.04 0.08 -0.04 0.95 0.91 2byzC1 PHE 115 H 0.11 0.40 -0.16 -0.55 8.34 8.14 2byzC1 PHE 115 HA -0.03 0.03 0.39 -0.75 4.62 4.26 2byzC1 PHE 115 HB2 -0.19 -0.03 0.11 -0.04 3.15 2.99 2byzC1 PHE 115 HB3 -0.07 -0.01 0.21 -0.04 3.06 3.15 2byzC1 PHE 115 HD2 0.08 -0.02 -0.01 -0.04 7.28 7.28 2byzC1 PHE 115 HE2 0.08 0.11 0.03 -0.04 7.38 7.56 2byzC1 PHE 115 HZ 0.07 0.20 0.03 -0.04 7.32 7.58 2byzC1 GLY 116 H 0.14 0.47 -0.26 -0.55 8.43 8.24 2byzC1 GLY 116 HA2 -0.27 0.06 0.41 -0.51 4.01 3.71 2byzC1 GLY 116 HA3 0.01 0.06 0.31 -0.51 4.01 3.88 2byzC1 ALA 117 H -0.03 0.41 -0.13 -0.55 8.40 8.10 2byzC1 ALA 117 HA -0.04 0.03 0.42 -0.75 4.34 3.99 2byzC1 ALA 117 HB3 -0.01 0.01 0.10 -0.04 1.41 1.47 2byzC1 ASP 118 H -0.08 0.63 -0.11 -0.55 8.40 8.30 2byzC1 ASP 118 HA -0.03 0.02 0.37 -0.75 4.63 4.24 2byzC1 ASP 118 HB2 -0.08 0.08 0.16 -0.04 2.71 2.83 2byzC1 ASP 118 HB3 -0.02 -0.04 -0.03 -0.04 2.70 2.57 2byzC1 ALA 119 H -0.35 0.64 -0.15 -0.55 8.40 7.99 2byzC1 ALA 119 HA -0.15 -0.01 0.41 -0.75 4.34 3.84 2byzC1 ALA 119 HB3 -0.49 -0.02 -0.09 -0.04 1.41 0.77 2byzC1 MET 120 H -0.15 0.67 -0.10 -0.55 8.47 8.35 2byzC1 MET 120 HA -0.06 -0.05 0.29 -0.75 4.52 3.94 2byzC1 MET 120 HB2 -0.06 0.06 0.10 -0.04 2.15 2.21 2byzC1 MET 120 HB3 -0.05 0.08 0.11 -0.04 2.03 2.13 2byzC1 MET 120 HG2 -0.02 -0.05 -0.03 -0.04 2.63 2.49 2byzC1 MET 120 HG3 -0.02 0.03 -0.11 -0.04 2.56 2.41 2byzC1 MET 120 HE3 -0.01 0.00 0.04 -0.04 2.10 2.09 2byzC1 ARG 121 H -0.05 0.46 -0.32 -0.55 8.46 7.98 2byzC1 ARG 121 HA -0.02 0.04 0.53 -0.75 4.34 4.14 2byzC1 ARG 121 HB2 -0.02 0.09 0.11 -0.04 1.90 2.04 2byzC1 ARG 121 HB3 -0.01 -0.08 0.12 -0.04 1.80 1.79 2byzC1 ARG 121 HG2 -0.01 -0.05 0.02 -0.04 1.67 1.59 2byzC1 ARG 121 HG3 -0.02 0.07 0.04 -0.04 1.67 1.71 2byzC1 ARG 121 HD2 -0.00 -0.03 0.00 -0.04 3.22 3.15 2byzC1 ARG 121 HD3 -0.00 -0.07 -0.01 -0.04 3.22 3.09 2byzC1 GLY 122 H -0.04 0.36 -0.54 -0.55 8.43 7.66 2byzC1 GLY 122 HA2 -0.01 0.09 0.60 -0.51 4.01 4.17 2byzC1 GLY 122 HA3 -0.02 -0.02 0.37 -0.51 4.01 3.83 2byzC1 PRO 123 HA -0.01 0.14 0.48 -0.51 4.44 4.54 2byzC1 PRO 123 HB2 -0.00 0.02 0.03 -0.04 2.28 2.29 2byzC1 PRO 123 HB3 -0.00 0.04 0.13 -0.04 2.02 2.14 2byzC1 PRO 123 HG2 -0.00 -0.01 0.08 -0.04 2.03 2.06 2byzC1 PRO 123 HG3 0.00 0.04 0.09 -0.04 2.03 2.12 2byzC1 PRO 123 HD2 -0.01 0.08 0.25 -0.04 3.68 3.97 2byzC1 PRO 123 HD3 -0.00 0.16 0.20 -0.04 3.65 3.97 2byzC1 ARG 124 H -0.01 0.10 -0.24 -0.55 8.46 7.76 2byzC1 ARG 124 HA -0.00 0.12 0.52 -0.75 4.34 4.22 2byzC1 ARG 124 HB2 -0.01 0.07 -0.01 -0.04 1.90 1.91 2byzC1 ARG 124 HB3 0.00 -0.08 -0.04 -0.04 1.80 1.63 2byzC1 ARG 124 HG2 0.00 -0.04 -0.02 -0.04 1.67 1.57 2byzC1 ARG 124 HG3 0.01 0.03 -0.02 -0.04 1.67 1.64 2byzC1 ARG 124 HD2 0.00 0.03 -0.05 -0.04 3.22 3.17 2byzC1 ARG 124 HD3 0.01 0.01 -0.04 -0.04 3.22 3.15 2byzC1 GLY 125 H -0.02 0.36 -0.33 -0.55 8.43 7.89 2byzC1 GLY 125 HA2 -0.03 0.38 0.40 -0.51 4.01 4.25 2byzC1 GLY 125 HA3 -0.02 -0.02 0.37 -0.51 4.01 3.84 2byzC1 LEU 126 H -0.01 0.18 0.22 -0.55 8.37 8.21 2byzC1 LEU 126 HA -0.02 0.03 0.39 -0.75 4.35 4.00 2byzC1 LEU 126 HB2 -0.01 0.03 0.13 -0.04 1.64 1.74 2byzC1 LEU 126 HB3 -0.01 0.00 0.04 -0.04 1.64 1.63 2byzC1 LEU 126 HG -0.01 0.01 0.13 -0.04 1.64 1.73 2byzC1 LEU 126 HD13 -0.01 0.01 0.03 -0.04 0.93 0.92 2byzC1 LEU 126 HD23 -0.01 0.00 0.03 -0.04 0.89 0.87 2byzC1 LYS 127 H -0.01 0.37 -0.15 -0.55 8.42 8.07 2byzC1 LYS 127 HA 0.00 0.01 0.38 -0.75 4.32 3.96 2byzC1 LYS 127 HB2 0.00 0.19 0.08 -0.04 1.87 2.11 2byzC1 LYS 127 HB3 0.01 -0.03 0.01 -0.04 1.79 1.74 2byzC1 LYS 127 HG2 -0.00 -0.03 0.04 -0.04 1.46 1.42 2byzC1 LYS 127 HG3 -0.00 -0.02 0.08 -0.04 1.46 1.47 2byzC1 LYS 127 HD2 0.00 0.06 0.05 -0.04 1.69 1.76 2byzC1 LYS 127 HD3 0.00 -0.02 0.02 -0.04 1.68 1.64 2byzC1 LYS 127 HE2 -0.00 -0.02 0.01 -0.04 2.99 2.94 2byzC1 LYS 127 HE3 -0.00 -0.00 0.02 -0.04 2.99 2.97 2byzC1 ALA 128 H -0.01 0.41 -0.59 -0.55 8.40 7.67 2byzC1 ALA 128 HA 0.04 0.08 0.47 -0.75 4.34 4.18 2byzC1 ALA 128 HB3 -0.03 0.02 -0.05 -0.04 1.41 1.31 2byzC1 VAL 129 H -0.02 0.26 -0.27 -0.55 8.24 7.66 2byzC1 VAL 129 HA -0.09 -0.00 0.44 -0.75 4.13 3.73 2byzC1 VAL 129 HB -0.00 0.11 0.16 -0.04 2.12 2.34 2byzC1 VAL 129 HG13 0.04 -0.00 -0.03 -0.04 0.97 0.94 2byzC1 VAL 129 HG23 -0.08 0.05 -0.02 -0.04 0.95 0.85 2byzC1 GLY 130 H 0.03 0.36 -0.12 -0.55 8.43 8.15 2byzC1 GLY 130 HA2 0.00 0.08 0.31 -0.51 4.01 3.90 2byzC1 GLY 130 HA3 0.09 0.09 0.51 -0.51 4.01 4.19 2byzC1 PRO 131 HA -0.10 0.15 0.74 -0.51 4.44 4.73 2byzC1 PRO 131 HB2 -0.25 0.03 0.17 -0.04 2.28 2.18 2byzC1 PRO 131 HB3 -0.15 0.04 0.06 -0.04 2.02 1.92 2byzC1 PRO 131 HG2 -1.08 0.05 -0.04 -0.04 2.03 0.92 2byzC1 PRO 131 HG3 -0.32 0.05 0.04 -0.04 2.03 1.76 2byzC1 PRO 131 HD2 -0.26 0.13 0.18 -0.04 3.68 3.69 2byzC1 PRO 131 HD3 -0.14 0.14 0.12 -0.04 3.65 3.73 2byzC1 TYR 132 H -0.02 0.20 -0.28 -0.55 8.29 7.64 2byzC1 TYR 132 HA 0.02 0.22 0.98 -0.75 4.56 5.03 2byzC1 TYR 132 HB2 -0.11 0.01 0.02 -0.04 3.06 2.94 2byzC1 TYR 132 HB3 -0.19 0.16 0.17 -0.04 2.98 3.07 2byzC1 TYR 132 HD2 -0.28 -0.00 -0.05 -0.04 7.15 6.77 2byzC1 TYR 132 HE2 -0.30 0.00 -0.05 -0.04 6.85 6.46 2byzC1 VAL 133 H 0.11 0.25 -0.11 -0.55 8.24 7.94 2byzC1 VAL 133 HA 0.09 0.08 0.35 -0.75 4.13 3.90 2byzC1 VAL 133 HB 0.12 0.02 0.03 -0.04 2.12 2.26 2byzC1 VAL 133 HG13 0.22 -0.03 -0.06 -0.04 0.97 1.06 2byzC1 VAL 133 HG23 0.32 0.01 0.04 -0.04 0.95 1.28 2byzC1 VAL 134 H 0.07 0.19 -0.21 -0.55 8.24 7.75 2byzC1 VAL 134 HA 0.06 0.03 0.33 -0.75 4.13 3.80 2byzC1 VAL 134 HB 0.06 0.05 0.03 -0.04 2.12 2.22 2byzC1 VAL 134 HG13 0.03 0.01 -0.12 -0.04 0.97 0.85 2byzC1 VAL 134 HG23 0.04 0.02 0.00 -0.04 0.95 0.97 2byzC1 THR 135 H 0.11 0.22 -0.17 -0.55 8.28 7.89 2byzC1 THR 135 HA 0.04 -0.02 0.38 -0.75 4.39 4.03 2byzC1 THR 135 HB 0.06 0.01 0.07 -0.04 4.32 4.43 2byzC1 THR 135 HG23 0.04 -0.01 0.01 -0.04 1.22 1.22 2byzC1 LYS 136 H -0.00 0.23 -0.48 -0.55 8.42 7.62 2byzC1 LYS 136 HA -0.10 0.02 0.61 -0.75 4.32 4.09 2byzC1 LYS 136 HB2 -0.23 0.09 0.06 -0.04 1.87 1.74 2byzC1 LYS 136 HB3 -0.54 -0.24 -0.09 -0.04 1.79 0.88 2byzC1 LYS 136 HG2 -0.39 -0.13 -0.73 -0.04 1.46 0.17 2byzC1 LYS 136 HG3 -0.20 0.25 -0.19 -0.04 1.46 1.28 2byzC1 LYS 136 HD2 -0.75 -0.06 -0.18 -0.04 1.69 0.66 2byzC1 LYS 136 HD3 -2.03 -0.16 -0.18 -0.04 1.68 -0.73 2byzC1 LYS 136 HE2 -0.45 0.11 -0.27 -0.04 2.99 2.34 2byzC1 LYS 136 HE3 -0.29 0.19 -0.09 -0.04 2.99 2.76 2byzC1 ALA 137 H 0.05 0.62 0.01 -0.55 8.40 8.53 2byzC1 ALA 137 HA 0.09 -0.04 0.70 -0.75 4.34 4.33 2byzC1 ALA 137 HB3 0.10 -0.01 -0.01 -0.04 1.41 1.44 2byzC1 MET 138 H 0.04 0.61 -0.00 -0.55 8.47 8.57 2byzC1 MET 138 HA 0.04 0.06 0.44 -0.75 4.52 4.30 2byzC1 MET 138 HB2 0.03 -0.12 0.07 -0.04 2.15 2.09 2byzC1 MET 138 HB3 0.03 0.11 0.10 -0.04 2.03 2.23 2byzC1 MET 138 HG2 0.03 0.21 0.07 -0.04 2.63 2.89 2byzC1 MET 138 HG3 0.03 -0.27 -0.20 -0.04 2.56 2.08 2byzC1 MET 138 HE3 0.01 0.01 -0.13 -0.04 2.10 1.95 2byzC1 ALA 139 H 0.03 0.21 0.17 -0.55 8.40 8.27 2byzC1 ALA 139 HA 0.04 -0.00 0.41 -0.75 4.34 4.03 2byzC1 ALA 139 HB3 0.04 0.04 0.09 -0.04 1.41 1.53 2byzC1 SER 140 H 0.03 0.14 -0.27 -0.55 8.46 7.82 2byzC1 SER 140 HA 0.05 0.10 0.63 -0.75 4.49 4.52 2byzC1 SER 140 HB2 0.06 0.01 0.14 -0.04 3.95 4.11 2byzC1 SER 140 HB3 0.05 0.04 0.07 -0.04 3.93 4.05 2byzC1 GLY 141 H 0.03 0.44 -0.60 -0.55 8.43 7.76 2byzC1 GLY 141 HA2 0.02 0.15 0.33 -0.51 4.01 4.00 2byzC1 GLY 141 HA3 0.02 0.15 0.25 -0.51 4.01 3.91 2byzC1 VAL 142 H 0.03 0.09 -0.27 -0.55 8.24 7.54 2byzC1 VAL 142 HA 0.04 0.01 0.20 -0.75 4.13 3.63 2byzC1 VAL 142 HB 0.04 -0.01 -0.17 -0.04 2.12 1.94 2byzC1 VAL 142 HG13 0.04 0.02 -0.40 -0.04 0.97 0.59 2byzC1 VAL 142 HG23 0.04 -0.01 -0.29 -0.04 0.95 0.65 2byzC1 SER 143 H 0.04 0.10 -0.26 -0.55 8.46 7.80 2byzC1 SER 143 HA 0.03 0.08 0.43 -0.75 4.49 4.28 2byzC1 SER 143 HB2 0.02 0.05 -0.10 -0.04 3.95 3.87 2byzC1 SER 143 HB3 0.04 0.15 -0.08 -0.04 3.93 3.99 2byzC1 ALA 144 H 0.03 0.61 -0.05 -0.55 8.40 8.45 2byzC1 ALA 144 HA 0.02 0.08 0.35 -0.75 4.34 4.03 2byzC1 ALA 144 HB3 0.00 -0.00 0.01 -0.04 1.41 1.37 2byzC1 CYS 145 H 0.03 0.66 -0.07 -0.55 8.50 8.57 2byzC1 CYS 145 HA 0.00 0.08 0.36 -0.75 4.58 4.26 2byzC1 CYS 145 HB2 0.04 0.02 -0.05 -0.04 2.97 2.94 2byzC1 CYS 145 HB3 0.02 -0.05 -0.04 -0.04 2.97 2.87 2byzC1 LEU 146 H 0.09 0.21 -0.69 -0.55 8.37 7.43 2byzC1 LEU 146 HA 0.35 0.16 0.91 -0.75 4.35 5.02 2byzC1 LEU 146 HB2 0.09 0.16 0.05 -0.04 1.64 1.91 2byzC1 LEU 146 HB3 0.10 -0.01 -0.14 -0.04 1.64 1.55 2byzC1 LEU 146 HG 0.32 -0.02 -0.11 -0.04 1.64 1.80 2byzC1 LEU 146 HD13 0.20 0.09 -0.27 -0.04 0.93 0.91 2byzC1 LEU 146 HD23 -0.00 -0.03 -0.34 -0.04 0.89 0.47 2byzC1 ALA 147 H 0.08 0.58 0.09 -0.55 8.40 8.60 2byzC1 ALA 147 HA 0.10 0.02 0.31 -0.75 4.34 4.02 2byzC1 ALA 147 HB3 0.05 0.02 0.07 -0.04 1.41 1.50 2byzC1 THR 148 H 0.05 0.31 -0.26 -0.55 8.28 7.83 2byzC1 THR 148 HA 0.03 0.10 0.43 -0.75 4.39 4.20 2byzC1 THR 148 HB -0.03 0.04 0.06 -0.04 4.32 4.35 2byzC1 THR 148 HG23 -0.07 -0.02 -0.14 -0.04 1.22 0.96 2byzC1 PRO 149 HA -0.04 0.06 0.43 -0.51 4.44 4.38 2byzC1 PRO 149 HB2 -0.09 -0.01 -0.04 -0.04 2.28 2.10 2byzC1 PRO 149 HB3 -0.03 -0.07 0.05 -0.04 2.02 1.93 2byzC1 PRO 149 HG2 0.08 0.09 0.05 -0.04 2.03 2.22 2byzC1 PRO 149 HG3 0.15 0.17 0.11 -0.04 2.03 2.41 2byzC1 PRO 149 HD2 0.08 -0.12 -0.61 -0.04 3.68 2.99 2byzC1 PRO 149 HD3 0.01 0.07 -0.02 -0.04 3.65 3.66 2byzC1 PHE 150 H 0.13 0.50 -0.33 -0.55 8.34 8.09 2byzC1 PHE 150 HA 0.05 0.08 0.55 -0.75 4.62 4.54 2byzC1 PHE 150 HB2 -0.07 0.16 -0.03 -0.04 3.15 3.18 2byzC1 PHE 150 HB3 0.02 -0.02 0.01 -0.04 3.06 3.02 2byzC1 PHE 150 HD2 -0.07 0.12 -0.02 -0.04 7.28 7.28 2byzC1 PHE 150 HE2 -0.56 -0.04 -0.06 -0.04 7.38 6.68 2byzC1 PHE 150 HZ -1.01 -0.01 -0.07 -0.04 7.32 6.19 2byzC1 LYS 151 H 0.07 0.32 -0.70 -0.55 8.42 7.55 2byzC1 LYS 151 HA 0.05 0.11 0.30 -0.75 4.32 4.02 2byzC1 LYS 151 HB2 -0.06 0.08 0.08 -0.04 1.87 1.92 2byzC1 LYS 151 HB3 -0.09 -0.09 0.17 -0.04 1.79 1.74 2byzC1 LYS 151 HG2 -0.01 0.08 -0.36 -0.04 1.46 1.13 2byzC1 LYS 151 HG3 -0.06 -0.07 -0.09 -0.04 1.46 1.21 2byzC1 LYS 151 HD2 -0.00 -0.06 0.01 -0.04 1.69 1.60 2byzC1 LYS 151 HD3 0.01 0.22 0.03 -0.04 1.68 1.90 2byzC1 LYS 151 HE2 -0.03 0.08 0.01 -0.04 2.99 3.01 2byzC1 LYS 151 HE3 -0.02 -0.06 -0.02 -0.04 2.99 2.84 2byzC1 ILE 152 H 0.12 0.56 -0.03 -0.55 8.25 8.35 2byzC1 ILE 152 HA 0.12 0.11 0.55 -0.75 4.18 4.21 2byzC1 ILE 152 HB 0.10 -0.05 0.09 -0.04 1.89 1.99 2byzC1 ILE 152 HG12 0.15 -0.00 -0.17 -0.04 1.49 1.43 2byzC1 ILE 152 HG13 0.07 -0.12 -0.15 -0.04 1.21 0.97 2byzC1 ILE 152 HG23 0.10 0.04 -0.16 -0.04 0.93 0.86 2byzC1 ILE 152 HD13 0.19 0.03 -0.21 -0.04 0.88 0.84 2byzC1 HIS 153 H 0.14 0.23 0.26 -0.55 8.41 8.51 2byzC1 HIS 153 HA 0.02 0.19 0.93 -0.75 4.63 5.01 2byzC1 HIS 153 HB2 0.03 -0.05 -0.34 -0.04 3.26 2.86 2byzC1 HIS 153 HB3 0.02 -0.03 -0.14 -0.04 3.20 3.01 2byzC1 HIS 153 HD2 0.02 0.19 -0.45 -0.04 6.97 6.69 2byzC1 HIS 153 HE1 0.00 -0.01 -0.01 -0.04 7.75 7.69 2byzC1 GLY 154 H 0.10 0.37 0.20 -0.55 8.43 8.56 2byzC1 GLY 154 HA2 0.04 0.18 0.57 -0.51 4.01 4.30 2byzC1 GLY 154 HA3 0.03 -0.04 0.13 -0.51 4.01 3.62 2byzC1 VAL 155 H -0.02 0.08 0.04 -0.55 8.24 7.79 2byzC1 VAL 155 HA -0.02 0.08 0.39 -0.75 4.13 3.82 2byzC1 VAL 155 HB -0.05 0.07 0.05 -0.04 2.12 2.15 2byzC1 VAL 155 HG13 -0.17 -0.01 -0.13 -0.04 0.97 0.62 2byzC1 VAL 155 HG23 -0.28 0.00 -0.08 -0.04 0.95 0.55 2byzC1 ASN 156 H -0.06 0.14 0.07 -0.55 8.53 8.13 2byzC1 ASN 156 HA -0.13 0.27 0.77 -0.75 4.76 4.92 2byzC1 ASN 156 HB2 0.01 0.13 -0.15 -0.04 2.88 2.83 2byzC1 ASN 156 HB3 0.02 0.04 0.02 -0.04 2.79 2.83 2byzC1 ASN 156 HD21 0.03 -0.09 -0.08 -0.04 7.03 6.85 2byzC1 ASN 156 HD22 0.03 0.09 -0.05 -0.04 7.74 7.77 2byzC1 TYR 157 H -0.25 0.56 0.31 -0.55 8.29 8.35 2byzC1 TYR 157 HA 0.02 0.01 0.37 -0.75 4.56 4.21 2byzC1 TYR 157 HB2 0.01 -0.07 0.17 -0.04 3.06 3.13 2byzC1 TYR 157 HB3 0.01 0.23 0.18 -0.04 2.98 3.36 2byzC1 TYR 157 HD2 0.01 0.02 -0.44 -0.04 7.15 6.69 2byzC1 TYR 157 HE2 0.01 0.01 -0.15 -0.04 6.85 6.67 2byzC1 SER 158 H 0.20 0.17 0.19 -0.55 8.46 8.48 2byzC1 SER 158 HA 0.13 0.17 0.83 -0.75 4.49 4.86 2byzC1 SER 158 HB2 0.08 -0.04 0.06 -0.04 3.95 4.00 2byzC1 SER 158 HB3 0.07 -0.11 0.02 -0.04 3.93 3.87 2byzC1 ILE 159 H 0.11 0.17 -0.09 -0.55 8.25 7.89 2byzC1 ILE 159 HA 0.06 0.23 0.88 -0.75 4.18 4.59 2byzC1 ILE 159 HB 0.11 -0.04 -0.04 -0.04 1.89 1.88 2byzC1 ILE 159 HG12 0.08 0.08 -0.15 -0.04 1.49 1.46 2byzC1 ILE 159 HG13 0.27 -0.06 -0.44 -0.04 1.21 0.94 2byzC1 ILE 159 HG23 0.07 -0.00 -0.30 -0.04 0.93 0.67 2byzC1 ILE 159 HD13 0.16 0.02 -0.17 -0.04 0.88 0.85 2byzC1 SER 160 H 0.04 0.27 0.06 -0.55 8.46 8.28 2byzC1 SER 160 HA 0.07 0.08 0.94 -0.75 4.49 4.82 2byzC1 SER 160 HB2 0.05 -0.02 0.14 -0.04 3.95 4.08 2byzC1 SER 160 HB3 0.05 0.01 0.03 -0.04 3.93 3.97 2byzC1 SER 161 H 0.08 0.07 0.07 -0.55 8.46 8.14 2byzC1 SER 161 HA 0.09 0.22 0.44 -0.75 4.49 4.48 2byzC1 SER 161 HB2 0.24 -0.01 0.00 -0.04 3.95 4.14 2byzC1 SER 161 HB3 0.11 0.23 -0.17 -0.04 3.93 4.06 2byzC1 ALA 162 H 0.07 0.23 0.14 -0.55 8.40 8.29 2byzC1 ALA 162 HA 0.04 0.11 0.43 -0.75 4.34 4.17 2byzC1 ALA 162 HB3 0.02 0.09 0.15 -0.04 1.41 1.62 2byzC1 CYS 163 H -0.08 0.12 0.28 -0.55 8.50 8.27 2byzC1 CYS 163 HA -0.04 0.03 0.21 -0.75 4.58 4.03 2byzC1 CYS 163 HB2 -0.04 0.33 0.29 -0.04 2.97 3.51 2byzC1 CYS 163 HB3 0.10 0.02 0.20 -0.04 2.97 3.25 2byzC1 ALA 164 H 0.04 0.51 -0.64 -0.55 8.40 7.76 2byzC1 ALA 164 HA -0.10 0.15 0.61 -0.75 4.34 4.25 2byzC1 ALA 164 HB3 -0.04 0.05 -0.26 -0.04 1.41 1.12 2byzC1 THR 165 H 0.04 0.31 -0.48 -0.55 8.28 7.60 2byzC1 THR 165 HA 0.12 0.06 0.17 -0.75 4.39 3.99 2byzC1 THR 165 HB 0.02 -0.02 0.14 -0.04 4.32 4.42 2byzC1 THR 165 HG23 0.05 0.13 -0.22 -0.04 1.22 1.13 2byzC1 SER 166 H -0.01 0.28 -0.07 -0.55 8.46 8.12 2byzC1 SER 166 HA -0.00 0.18 0.45 -0.75 4.49 4.37 2byzC1 SER 166 HB2 -0.05 -0.00 -0.07 -0.04 3.95 3.79 2byzC1 SER 166 HB3 -0.02 0.13 -0.04 -0.04 3.93 3.97 2byzC1 ALA 167 H -0.07 0.20 -0.49 -0.55 8.40 7.50 2byzC1 ALA 167 HA -0.10 0.12 0.33 -0.75 4.34 3.94 2byzC1 ALA 167 HB3 -0.16 0.04 -0.05 -0.04 1.41 1.19 2byzC1 HIS 168 H -0.04 0.51 -0.10 -0.55 8.41 8.24 2byzC1 HIS 168 HA 0.10 0.09 0.37 -0.75 4.63 4.43 2byzC1 HIS 168 HB2 0.05 0.08 -0.08 -0.04 3.26 3.28 2byzC1 HIS 168 HB3 0.09 -0.00 -0.13 -0.04 3.20 3.11 2byzC1 HIS 168 HD2 0.32 0.04 -0.04 -0.04 6.97 7.25 2byzC1 HIS 168 HE1 0.08 -0.11 -0.26 -0.04 7.75 7.41 2byzC1 CYS 169 H 0.05 0.31 -0.35 -0.55 8.50 7.97 2byzC1 CYS 169 HA 0.05 0.01 0.34 -0.75 4.58 4.23 2byzC1 CYS 169 HB2 -0.01 0.08 0.19 -0.04 2.97 3.19 2byzC1 CYS 169 HB3 -0.01 0.17 -0.00 -0.04 2.97 3.09 2byzC1 ILE 170 H -0.08 0.37 -0.29 -0.55 8.25 7.70 2byzC1 ILE 170 HA -0.11 0.05 0.40 -0.75 4.18 3.76 2byzC1 ILE 170 HB -0.13 0.13 0.08 -0.04 1.89 1.92 2byzC1 ILE 170 HG12 -0.09 -0.01 -0.08 -0.04 1.49 1.27 2byzC1 ILE 170 HG13 -0.08 0.12 0.01 -0.04 1.21 1.22 2byzC1 ILE 170 HG23 -0.13 0.00 -0.16 -0.04 0.93 0.60 2byzC1 ILE 170 HD13 -0.10 -0.03 -0.12 -0.04 0.88 0.58 2byzC1 GLY 171 H -0.33 0.44 -0.20 -0.55 8.43 7.80 2byzC1 GLY 171 HA2 -0.83 0.07 0.38 -0.51 4.01 3.12 2byzC1 GLY 171 HA3 -1.98 0.06 0.25 -0.51 4.01 1.83 2byzC1 ASN 172 H -0.16 0.61 -0.24 -0.55 8.53 8.19 2byzC1 ASN 172 HA 0.02 0.03 0.38 -0.75 4.76 4.44 2byzC1 ASN 172 HB2 0.07 0.11 0.06 -0.04 2.88 3.08 2byzC1 ASN 172 HB3 0.06 0.06 -0.05 -0.04 2.79 2.82 2byzC1 ASN 172 HD21 0.08 -0.00 -0.06 -0.04 7.03 7.00 2byzC1 ASN 172 HD22 0.10 -0.00 -0.06 -0.04 7.74 7.73 2byzC1 ALA 173 H -0.11 0.40 -0.40 -0.55 8.40 7.74 2byzC1 ALA 173 HA -0.07 -0.01 0.34 -0.75 4.34 3.84 2byzC1 ALA 173 HB3 -0.10 0.06 0.03 -0.04 1.41 1.36 2byzC1 VAL 174 H -0.14 0.47 -0.22 -0.55 8.24 7.80 2byzC1 VAL 174 HA -0.06 0.00 0.35 -0.75 4.13 3.66 2byzC1 VAL 174 HB -0.12 0.20 0.15 -0.04 2.12 2.31 2byzC1 VAL 174 HG13 0.01 -0.01 -0.10 -0.04 0.97 0.82 2byzC1 VAL 174 HG23 -0.10 0.05 0.00 -0.04 0.95 0.86 2byzC1 GLU 175 H -0.04 0.44 -0.25 -0.55 8.60 8.21 2byzC1 GLU 175 HA 0.04 0.04 0.35 -0.75 4.29 3.97 2byzC1 GLU 175 HB2 0.05 0.12 0.14 -0.04 2.09 2.36 2byzC1 GLU 175 HB3 0.06 -0.05 -0.01 -0.04 1.99 1.95 2byzC1 GLU 175 HG2 0.12 -0.00 0.00 -0.04 2.34 2.42 2byzC1 GLU 175 HG3 0.15 0.16 0.02 -0.04 2.34 2.63 2byzC1 GLN 176 H -0.01 0.44 -0.38 -0.55 8.47 7.97 2byzC1 GLN 176 HA 0.01 0.01 0.38 -0.75 4.36 4.00 2byzC1 GLN 176 HB2 -0.04 0.19 0.05 -0.04 2.15 2.30 2byzC1 GLN 176 HB3 -0.03 -0.07 -0.09 -0.04 2.02 1.79 2byzC1 GLN 176 HG2 0.02 0.28 0.00 -0.04 2.40 2.66 2byzC1 GLN 176 HG3 -0.03 -0.09 -0.09 -0.04 2.39 2.15 2byzC1 GLN 176 HE21 0.08 -0.01 -0.08 -0.04 6.97 6.92 2byzC1 GLN 176 HE22 0.09 0.03 -0.10 -0.04 7.69 7.67 2byzC1 ILE 177 H -0.03 0.42 -0.29 -0.55 8.25 7.80 2byzC1 ILE 177 HA -0.04 0.20 0.48 -0.75 4.18 4.07 2byzC1 ILE 177 HB -0.04 0.12 0.05 -0.04 1.89 1.97 2byzC1 ILE 177 HG12 -0.08 -0.09 -0.39 -0.04 1.49 0.89 2byzC1 ILE 177 HG13 -0.08 0.10 -0.21 -0.04 1.21 0.98 2byzC1 ILE 177 HG23 -0.03 -0.00 -0.33 -0.04 0.93 0.52 2byzC1 ILE 177 HD13 -0.09 0.01 -0.31 -0.04 0.88 0.44 2byzC1 GLN 178 H -0.00 0.59 -0.08 -0.55 8.47 8.43 2byzC1 GLN 178 HA 0.00 0.07 0.42 -0.75 4.36 4.09 2byzC1 GLN 178 HB2 0.02 0.01 0.11 -0.04 2.15 2.25 2byzC1 GLN 178 HB3 0.02 -0.04 0.03 -0.04 2.02 1.99 2byzC1 GLN 178 HG2 0.01 0.21 0.01 -0.04 2.40 2.60 2byzC1 GLN 178 HG3 0.01 0.20 -0.02 -0.04 2.39 2.54 2byzC1 GLN 178 HE21 0.06 -0.03 -0.04 -0.04 6.97 6.92 2byzC1 GLN 178 HE22 0.03 0.08 -0.00 -0.04 7.69 7.76 2byzC1 LEU 179 H 0.01 0.58 -0.19 -0.55 8.37 8.21 2byzC1 LEU 179 HA 0.01 0.06 0.49 -0.75 4.35 4.16 2byzC1 LEU 179 HB2 0.01 0.03 0.11 -0.04 1.64 1.75 2byzC1 LEU 179 HB3 0.02 -0.06 0.11 -0.04 1.64 1.67 2byzC1 LEU 179 HG 0.03 0.12 0.05 -0.04 1.64 1.79 2byzC1 LEU 179 HD13 0.03 -0.04 -0.06 -0.04 0.93 0.82 2byzC1 LEU 179 HD23 0.02 -0.01 0.01 -0.04 0.89 0.87 2byzC1 GLY 180 H -0.00 0.33 -0.88 -0.55 8.43 7.33 2byzC1 GLY 180 HA2 -0.00 0.07 0.30 -0.51 4.01 3.87 2byzC1 GLY 180 HA3 0.00 0.01 0.38 -0.51 4.01 3.90 2byzC1 LYS 181 H -0.00 0.26 -0.29 -0.55 8.42 7.84 2byzC1 LYS 181 HA 0.00 0.12 0.59 -0.75 4.32 4.28 2byzC1 LYS 181 HB2 0.00 0.01 0.05 -0.04 1.87 1.90 2byzC1 LYS 181 HB3 0.01 -0.06 0.01 -0.04 1.79 1.70 2byzC1 LYS 181 HG2 0.01 0.01 -0.04 -0.04 1.46 1.40 2byzC1 LYS 181 HG3 0.01 0.09 -0.12 -0.04 1.46 1.41 2byzC1 LYS 181 HD2 0.03 -0.03 -0.03 -0.04 1.69 1.61 2byzC1 LYS 181 HD3 0.03 -0.04 -0.02 -0.04 1.68 1.60 2byzC1 LYS 181 HE2 0.02 0.01 -0.02 -0.04 2.99 2.96 2byzC1 LYS 181 HE3 0.02 0.03 -0.01 -0.04 2.99 2.99 2byzC1 GLN 182 H -0.03 0.34 -0.09 -0.55 8.47 8.15 2byzC1 GLN 182 HA -0.04 0.18 0.86 -0.75 4.36 4.61 2byzC1 GLN 182 HB2 -0.07 -0.07 -0.29 -0.04 2.15 1.69 2byzC1 GLN 182 HB3 -0.08 0.12 -0.08 -0.04 2.02 1.94 2byzC1 GLN 182 HG2 -0.02 -0.06 -0.66 -0.04 2.40 1.61 2byzC1 GLN 182 HG3 -0.05 -0.10 -0.18 -0.04 2.39 2.02 2byzC1 GLN 182 HE21 0.00 0.37 0.18 -0.04 6.97 7.48 2byzC1 GLN 182 HE22 -0.01 0.62 0.13 -0.04 7.69 8.39 2byzC1 ASP 183 H -0.11 0.67 0.38 -0.55 8.40 8.79 2byzC1 ASP 183 HA -0.13 0.08 0.85 -0.75 4.63 4.68 2byzC1 ASP 183 HB2 -0.30 0.08 0.13 -0.04 2.71 2.58 2byzC1 ASP 183 HB3 -0.72 -0.06 0.09 -0.04 2.70 1.97 2byzC1 ILE 184 H -0.19 0.44 0.35 -0.55 8.25 8.30 2byzC1 ILE 184 HA -0.26 0.33 1.02 -0.75 4.18 4.51 2byzC1 ILE 184 HB -0.26 -0.02 0.09 -0.04 1.89 1.66 2byzC1 ILE 184 HG12 -0.27 0.04 -0.04 -0.04 1.49 1.17 2byzC1 ILE 184 HG13 -0.48 -0.09 -0.49 -0.04 1.21 0.12 2byzC1 ILE 184 HG23 -0.66 -0.01 -0.22 -0.04 0.93 -0.00 2byzC1 ILE 184 HD13 -0.12 0.01 -0.13 -0.04 0.88 0.60 2byzC1 VAL 185 H -0.29 0.81 0.28 -0.55 8.24 8.49 2byzC1 VAL 185 HA -0.18 0.20 0.80 -0.75 4.13 4.19 2byzC1 VAL 185 HB -0.14 -0.01 0.01 -0.04 2.12 1.94 2byzC1 VAL 185 HG13 -0.10 -0.02 -0.36 -0.04 0.97 0.45 2byzC1 VAL 185 HG23 -0.10 -0.03 -0.26 -0.04 0.95 0.52 2byzC1 PHE 186 H -0.00 0.62 0.30 -0.55 8.34 8.71 2byzC1 PHE 186 HA -0.15 0.18 0.81 -0.75 4.62 4.72 2byzC1 PHE 186 HB2 -0.17 -0.05 0.17 -0.04 3.15 3.06 2byzC1 PHE 186 HB3 -0.21 -0.05 -0.02 -0.04 3.06 2.74 2byzC1 PHE 186 HD2 -0.20 0.08 -0.07 -0.04 7.28 7.04 2byzC1 PHE 186 HE2 -0.24 0.04 -0.15 -0.04 7.38 6.99 2byzC1 PHE 186 HZ -0.60 0.02 -0.12 -0.04 7.32 6.57 2byzC1 ALA 187 H -0.03 0.63 0.41 -0.55 8.40 8.87 2byzC1 ALA 187 HA -0.03 0.44 1.05 -0.75 4.34 5.05 2byzC1 ALA 187 HB3 -0.08 -0.02 -0.10 -0.04 1.41 1.17 2byzC1 GLY 188 H -0.03 0.44 0.38 -0.55 8.43 8.67 2byzC1 GLY 188 HA2 -0.05 -0.03 0.39 -0.51 4.01 3.81 2byzC1 GLY 188 HA3 -0.04 0.26 0.71 -0.51 4.01 4.43 2byzC1 GLY 189 H -0.02 0.65 0.44 -0.55 8.43 8.96 2byzC1 GLY 189 HA2 0.02 -0.02 0.44 -0.51 4.01 3.93 2byzC1 GLY 189 HA3 0.01 0.11 0.62 -0.51 4.01 4.24 2byzC1 GLY 190 H 0.04 0.48 0.34 -0.55 8.43 8.74 2byzC1 GLY 190 HA2 0.07 0.28 0.92 -0.51 4.01 4.77 2byzC1 GLY 190 HA3 0.10 0.16 0.46 -0.51 4.01 4.21 2byzC1 GLU 191 H 0.18 0.62 0.40 -0.55 8.60 9.25 2byzC1 GLU 191 HA 0.07 -0.03 0.83 -0.75 4.29 4.40 2byzC1 GLU 191 HB2 0.03 -0.12 -0.06 -0.04 2.09 1.90 2byzC1 GLU 191 HB3 0.04 0.11 0.22 -0.04 1.99 2.32 2byzC1 GLU 191 HG2 0.00 0.08 0.09 -0.04 2.34 2.47 2byzC1 GLU 191 HG3 0.05 0.21 0.15 -0.04 2.34 2.71 2byzC1 GLU 192 H 0.06 0.11 0.23 -0.55 8.60 8.46 2byzC1 GLU 192 HA 0.16 0.14 0.62 -0.75 4.29 4.45 2byzC1 GLU 192 HB2 0.01 0.07 0.13 -0.04 2.09 2.26 2byzC1 GLU 192 HB3 0.01 -0.18 0.18 -0.04 1.99 1.96 2byzC1 GLU 192 HG2 0.04 0.06 0.15 -0.04 2.34 2.55 2byzC1 GLU 192 HG3 0.03 0.01 -0.23 -0.04 2.34 2.11 2byzC1 LEU 193 H 0.03 0.24 0.18 -0.55 8.37 8.27 2byzC1 LEU 193 HA 0.02 0.17 0.77 -0.75 4.35 4.55 2byzC1 LEU 193 HB2 -0.16 0.03 -0.14 -0.04 1.64 1.32 2byzC1 LEU 193 HB3 -0.33 0.01 0.11 -0.04 1.64 1.38 2byzC1 LEU 193 HG -0.56 -0.03 -0.25 -0.04 1.64 0.76 2byzC1 LEU 193 HD13 0.11 0.00 -0.28 -0.04 0.93 0.72 2byzC1 LEU 193 HD23 -0.91 0.02 -0.21 -0.04 0.89 -0.25 2byzC1 CYS 194 H 0.13 0.29 0.12 -0.55 8.50 8.50 2byzC1 CYS 194 HA 0.26 0.19 0.57 -0.75 4.58 4.84 2byzC1 CYS 194 HB2 -0.16 0.00 0.07 -0.04 2.97 2.84 2byzC1 CYS 194 HB3 -0.02 0.21 -0.20 -0.04 2.97 2.92 2byzC1 TRP 195 H 0.32 0.28 0.11 -0.55 7.97 8.13 2byzC1 TRP 195 HA 0.12 0.06 0.41 -0.75 4.62 4.46 2byzC1 TRP 195 HB2 0.03 0.12 0.06 -0.04 3.23 3.40 2byzC1 TRP 195 HB3 0.04 0.03 -0.01 -0.04 3.23 3.25 2byzC1 TRP 195 HD1 0.06 -0.03 0.04 -0.04 7.22 7.24 2byzC1 TRP 195 HE1 0.02 0.06 0.00 -0.04 10.20 10.24 2byzC1 TRP 195 HE3 0.04 -0.07 -0.28 -0.04 7.59 7.24 2byzC1 TRP 195 HZ2 0.02 0.04 -0.02 -0.04 7.44 7.44 2byzC1 TRP 195 HZ3 0.02 0.05 -0.04 -0.04 7.13 7.12 2byzC1 TRP 195 HH2 0.02 0.06 -0.02 -0.04 7.19 7.21 2byzC1 GLU 196 H -1.09 0.05 -0.21 -0.55 8.60 6.80 2byzC1 GLU 196 HA -1.20 0.18 0.29 -0.75 4.29 2.82 2byzC1 GLU 196 HB2 -0.49 -0.19 -0.11 -0.04 2.09 1.27 2byzC1 GLU 196 HB3 -0.45 0.10 -0.16 -0.04 1.99 1.44 2byzC1 GLU 196 HG2 -0.54 0.11 -0.03 -0.04 2.34 1.83 2byzC1 GLU 196 HG3 -1.82 0.11 0.01 -0.04 2.34 0.60 2byzC1 MET 197 H -0.10 0.06 -0.37 -0.55 8.47 7.52 2byzC1 MET 197 HA 0.02 0.23 0.77 -0.75 4.52 4.79 2byzC1 MET 197 HB2 0.03 -0.07 0.03 -0.04 2.15 2.09 2byzC1 MET 197 HB3 0.10 0.01 0.09 -0.04 2.03 2.18 2byzC1 MET 197 HG2 0.38 0.01 -0.17 -0.04 2.63 2.82 2byzC1 MET 197 HG3 0.16 0.05 0.05 -0.04 2.56 2.77 2byzC1 MET 197 HE3 0.08 -0.03 -0.02 -0.04 2.10 2.09 2byzC1 ALA 198 H 0.16 0.47 0.12 -0.55 8.40 8.61 2byzC1 ALA 198 HA 0.37 0.01 0.44 -0.75 4.34 4.41 2byzC1 ALA 198 HB3 0.24 -0.00 0.09 -0.04 1.41 1.69 2byzC1 CYS 199 H 0.23 0.67 -0.11 -0.55 8.50 8.75 2byzC1 CYS 199 HA 0.17 -0.01 0.42 -0.75 4.58 4.40 2byzC1 CYS 199 HB2 0.19 0.04 0.05 -0.04 2.97 3.21 2byzC1 CYS 199 HB3 0.35 0.02 0.10 -0.04 2.97 3.40 2byzC1 GLU 200 H 0.10 0.32 -0.39 -0.55 8.60 8.08 2byzC1 GLU 200 HA 0.01 0.11 0.48 -0.75 4.29 4.14 2byzC1 GLU 200 HB2 -0.10 0.16 0.16 -0.04 2.09 2.27 2byzC1 GLU 200 HB3 -0.17 -0.03 0.04 -0.04 1.99 1.79 2byzC1 GLU 200 HG2 -0.04 -0.01 0.06 -0.04 2.34 2.32 2byzC1 GLU 200 HG3 0.01 -0.00 0.02 -0.04 2.34 2.33 2byzC1 PHE 201 H 0.25 0.35 -0.14 -0.55 8.34 8.24 2byzC1 PHE 201 HA 0.15 0.10 0.59 -0.75 4.62 4.70 2byzC1 PHE 201 HB2 0.06 0.14 0.20 -0.04 3.15 3.51 2byzC1 PHE 201 HB3 0.02 -0.06 0.01 -0.04 3.06 2.99 2byzC1 PHE 201 HD2 0.27 0.05 0.04 -0.04 7.28 7.60 2byzC1 PHE 201 HE2 0.04 -0.04 -0.00 -0.04 7.38 7.33 2byzC1 PHE 201 HZ 0.00 -0.07 0.01 -0.04 7.32 7.21 2byzC1 ASP 202 H 0.17 0.46 -0.00 -0.55 8.40 8.48 2byzC1 ASP 202 HA 0.05 -0.06 0.48 -0.75 4.63 4.36 2byzC1 ASP 202 HB2 0.10 0.01 0.17 -0.04 2.71 2.94 2byzC1 ASP 202 HB3 0.09 0.20 0.17 -0.04 2.70 3.11 2byzC1 ALA 203 H 0.07 0.56 -0.16 -0.55 8.40 8.33 2byzC1 ALA 203 HA 0.04 0.05 0.39 -0.75 4.34 4.07 2byzC1 ALA 203 HB3 0.03 0.04 0.11 -0.04 1.41 1.55 2byzC1 MET 204 H 0.07 0.16 -0.81 -0.55 8.47 7.33 2byzC1 MET 204 HA 0.02 0.11 0.66 -0.75 4.52 4.56 2byzC1 MET 204 HB2 0.14 0.16 0.22 -0.04 2.15 2.63 2byzC1 MET 204 HB3 0.10 -0.09 0.08 -0.04 2.03 2.08 2byzC1 MET 204 HG2 -0.03 -0.01 0.06 -0.04 2.63 2.60 2byzC1 MET 204 HG3 -0.03 0.21 0.09 -0.04 2.56 2.79 2byzC1 MET 204 HE3 -0.29 -0.01 0.04 -0.04 2.10 1.79 2byzC1 GLY 205 H 0.06 0.54 -0.14 -0.55 8.43 8.34 2byzC1 GLY 205 HA2 0.03 0.06 0.38 -0.51 4.01 3.98 2byzC1 GLY 205 HA3 0.04 0.08 0.52 -0.51 4.01 4.14 2byzC1 ALA 206 H 0.10 0.34 -0.03 -0.55 8.40 8.26 2byzC1 ALA 206 HA 0.12 0.16 0.67 -0.75 4.34 4.53 2byzC1 ALA 206 HB3 0.35 -0.03 0.05 -0.04 1.41 1.74 2byzC1 LEU 207 H -0.06 0.06 -0.10 -0.55 8.37 7.73 2byzC1 LEU 207 HA -0.46 0.24 0.81 -0.75 4.35 4.19 2byzC1 LEU 207 HB2 -0.07 -0.04 0.01 -0.04 1.64 1.50 2byzC1 LEU 207 HB3 -0.14 0.08 0.09 -0.04 1.64 1.63 2byzC1 LEU 207 HG -0.10 -0.11 -0.24 -0.04 1.64 1.14 2byzC1 LEU 207 HD13 0.03 0.00 0.06 -0.04 0.93 0.98 2byzC1 LEU 207 HD23 -0.89 -0.02 -0.09 -0.04 0.89 -0.15 2byzC1 SER 208 H -0.08 0.40 -0.01 -0.55 8.46 8.22 2byzC1 SER 208 HA 0.05 0.36 0.38 -0.75 4.49 4.53 2byzC1 SER 208 HB2 0.07 0.34 -0.19 -0.04 3.95 4.13 2byzC1 SER 208 HB3 0.06 -0.11 -0.09 -0.04 3.93 3.75 2byzC1 THR 209 H 0.02 0.14 0.25 -0.55 8.28 8.14 2byzC1 THR 209 HA -0.06 0.15 0.93 -0.75 4.39 4.66 2byzC1 THR 209 HB -0.09 0.10 0.04 -0.04 4.32 4.33 2byzC1 THR 209 HG23 -0.03 0.04 -0.37 -0.04 1.22 0.83 2byzC1 LYS 210 H -0.02 0.05 0.16 -0.55 8.42 8.05 2byzC1 LYS 210 HA -0.18 0.23 0.73 -0.75 4.32 4.34 2byzC1 LYS 210 HB2 -0.49 0.05 0.07 -0.04 1.87 1.47 2byzC1 LYS 210 HB3 -0.44 0.05 0.16 -0.04 1.79 1.52 2byzC1 LYS 210 HG2 -0.07 -0.12 0.05 -0.04 1.46 1.29 2byzC1 LYS 210 HG3 -0.08 0.08 0.05 -0.04 1.46 1.47 2byzC1 LYS 210 HD2 -0.12 0.02 0.04 -0.04 1.69 1.60 2byzC1 LYS 210 HD3 -0.10 0.02 -0.04 -0.04 1.68 1.52 2byzC1 LYS 210 HE2 -0.04 0.01 0.00 -0.04 2.99 2.92 2byzC1 LYS 210 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.89 2byzC1 TYR 211 H 0.07 0.04 -0.34 -0.55 8.29 7.51 2byzC1 TYR 211 HA 0.00 0.27 0.89 -0.75 4.56 4.97 2byzC1 TYR 211 HB2 0.02 -0.06 -0.09 -0.04 3.06 2.89 2byzC1 TYR 211 HB3 0.02 0.09 -0.03 -0.04 2.98 3.02 2byzC1 TYR 211 HD2 0.01 -0.09 -0.08 -0.04 7.15 6.95 2byzC1 TYR 211 HE2 0.02 0.00 -0.02 -0.04 6.85 6.81 2byzC1 ASN 212 H -0.01 0.29 -0.25 -0.55 8.53 8.01 2byzC1 ASN 212 HA 0.12 0.01 0.19 -0.75 4.76 4.33 2byzC1 ASN 212 HB2 -0.02 0.07 -0.00 -0.04 2.88 2.89 2byzC1 ASN 212 HB3 0.16 0.02 -0.01 -0.04 2.79 2.92 2byzC1 ASN 212 HD21 -0.50 0.53 0.29 -0.04 7.03 7.31 2byzC1 ASN 212 HD22 -0.46 -0.00 0.07 -0.04 7.74 7.31 2byzC1 ASP 213 H 0.02 0.08 -0.45 -0.55 8.40 7.51 2byzC1 ASP 213 HA -0.03 0.10 0.46 -0.75 4.63 4.41 2byzC1 ASP 213 HB2 0.00 0.02 -0.06 -0.04 2.71 2.63 2byzC1 ASP 213 HB3 -0.01 0.03 0.01 -0.04 2.70 2.69 2byzC1 THR 214 H 0.10 0.33 -0.52 -0.55 8.28 7.64 2byzC1 THR 214 HA 0.05 0.18 0.74 -0.75 4.39 4.61 2byzC1 THR 214 HB 0.06 -0.04 0.07 -0.04 4.32 4.37 2byzC1 THR 214 HG23 0.04 0.00 -0.18 -0.04 1.22 1.05 2byzC1 PRO 215 HA 0.11 0.02 0.27 -0.51 4.44 4.32 2byzC1 PRO 215 HB2 0.11 0.12 -0.05 -0.04 2.28 2.42 2byzC1 PRO 215 HB3 0.14 -0.05 -0.34 -0.04 2.02 1.73 2byzC1 PRO 215 HG2 0.16 -0.05 0.02 -0.04 2.03 2.12 2byzC1 PRO 215 HG3 0.19 0.13 -0.06 -0.04 2.03 2.25 2byzC1 PRO 215 HD2 0.06 0.10 0.04 -0.04 3.68 3.85 2byzC1 PRO 215 HD3 0.06 0.24 -0.58 -0.04 3.65 3.33 2byzC1 GLU 216 H 0.05 0.14 -0.21 -0.55 8.60 8.04 2byzC1 GLU 216 HA 0.04 0.07 0.43 -0.75 4.29 4.07 2byzC1 GLU 216 HB2 0.02 -0.01 0.03 -0.04 2.09 2.09 2byzC1 GLU 216 HB3 0.01 0.04 0.15 -0.04 1.99 2.15 2byzC1 GLU 216 HG2 0.04 0.08 0.05 -0.04 2.34 2.48 2byzC1 GLU 216 HG3 0.05 -0.06 0.06 -0.04 2.34 2.35 2byzC1 LYS 217 H 0.02 0.44 -0.46 -0.55 8.42 7.86 2byzC1 LYS 217 HA -0.07 0.27 0.88 -0.75 4.32 4.65 2byzC1 LYS 217 HB2 -0.02 0.07 0.01 -0.04 1.87 1.89 2byzC1 LYS 217 HB3 -0.12 -0.02 0.08 -0.04 1.79 1.68 2byzC1 LYS 217 HG2 -0.02 0.08 -0.17 -0.04 1.46 1.30 2byzC1 LYS 217 HG3 0.01 -0.09 -0.18 -0.04 1.46 1.15 2byzC1 LYS 217 HD2 0.01 -0.00 -0.05 -0.04 1.69 1.60 2byzC1 LYS 217 HD3 0.02 -0.01 -0.03 -0.04 1.68 1.62 2byzC1 LYS 217 HE2 -0.00 -0.01 -0.03 -0.04 2.99 2.91 2byzC1 LYS 217 HE3 -0.04 0.01 -0.01 -0.04 2.99 2.91 2byzC1 ALA 218 H -0.01 0.34 -0.16 -0.55 8.40 8.03 2byzC1 ALA 218 HA -0.20 -0.01 0.32 -0.75 4.34 3.69 2byzC1 ALA 218 HB3 0.09 -0.01 -0.04 -0.04 1.41 1.40 2byzC1 SER 219 H -0.01 0.20 -0.16 -0.55 8.46 7.94 2byzC1 SER 219 HA 0.00 0.02 0.62 -0.75 4.49 4.38 2byzC1 SER 219 HB2 0.05 -0.15 0.05 -0.04 3.95 3.86 2byzC1 SER 219 HB3 0.01 0.31 0.16 -0.04 3.93 4.36 2byzC1 ARG 220 H -0.05 0.10 0.04 -0.55 8.46 8.00 2byzC1 ARG 220 HA -0.05 0.30 0.68 -0.75 4.34 4.52 2byzC1 ARG 220 HB2 -0.05 0.07 0.16 -0.04 1.90 2.04 2byzC1 ARG 220 HB3 -0.13 0.19 -0.15 -0.04 1.80 1.66 2byzC1 ARG 220 HG2 -0.12 0.04 0.03 -0.04 1.67 1.59 2byzC1 ARG 220 HG3 -0.04 -0.21 0.02 -0.04 1.67 1.40 2byzC1 ARG 220 HD2 -0.59 0.46 -0.02 -0.04 3.22 3.03 2byzC1 ARG 220 HD3 -0.42 -0.03 -0.08 -0.04 3.22 2.65 2byzC1 THR 221 H -0.08 0.15 -0.13 -0.55 8.28 7.67 2byzC1 THR 221 HA -0.19 -0.19 0.32 -0.75 4.39 3.58 2byzC1 THR 221 HB -0.28 0.12 0.01 -0.04 4.32 4.14 2byzC1 THR 221 HG23 -1.01 -0.07 -0.12 -0.04 1.22 -0.01 2byzC1 TYR 222 H -0.17 -0.01 0.11 -0.55 8.29 7.66 2byzC1 TYR 222 HA 0.03 -0.06 0.28 -0.75 4.56 4.05 2byzC1 TYR 222 HB2 0.02 0.37 0.16 -0.04 3.06 3.56 2byzC1 TYR 222 HB3 0.02 -0.04 0.11 -0.04 2.98 3.03 2byzC1 TYR 222 HD2 0.02 0.09 -0.13 -0.04 7.15 7.08 2byzC1 TYR 222 HE2 0.02 0.01 -0.11 -0.04 6.85 6.73 2byzC1 ASP 223 H 0.05 0.56 -0.36 -0.55 8.40 8.10 2byzC1 ASP 223 HA 0.10 0.12 0.56 -0.75 4.63 4.65 2byzC1 ASP 223 HB2 0.04 0.22 0.11 -0.04 2.71 3.04 2byzC1 ASP 223 HB3 0.04 0.06 0.14 -0.04 2.70 2.89 2byzC1 ALA 224 H 0.12 0.83 0.30 -0.55 8.40 9.11 2byzC1 ALA 224 HA 0.02 -0.03 0.32 -0.75 4.34 3.89 2byzC1 ALA 224 HB3 0.04 0.01 0.04 -0.04 1.41 1.46 2byzC1 HIS 225 H 0.25 -0.00 -0.55 -0.55 8.41 7.57 2byzC1 HIS 225 HA 0.08 0.26 0.92 -0.75 4.63 5.14 2byzC1 HIS 225 HB2 0.11 -0.01 0.02 -0.04 3.26 3.34 2byzC1 HIS 225 HB3 0.19 0.01 0.14 -0.04 3.20 3.50 2byzC1 HIS 225 HD2 0.06 0.01 -0.02 -0.04 6.97 6.98 2byzC1 HIS 225 HE1 0.04 0.01 -0.07 -0.04 7.75 7.68 2byzC1 ARG 226 H 0.09 0.45 -0.22 -0.55 8.46 8.23 2byzC1 ARG 226 HA 0.07 0.10 0.46 -0.75 4.34 4.22 2byzC1 ARG 226 HB2 0.04 0.05 -0.05 -0.04 1.90 1.90 2byzC1 ARG 226 HB3 0.03 0.12 0.04 -0.04 1.80 1.95 2byzC1 ARG 226 HG2 0.05 0.25 -0.04 -0.04 1.67 1.89 2byzC1 ARG 226 HG3 0.06 -0.10 -0.37 -0.04 1.67 1.22 2byzC1 ARG 226 HD2 0.01 -0.26 -0.48 -0.04 3.22 2.45 2byzC1 ARG 226 HD3 0.03 -0.06 -0.10 -0.04 3.22 3.04 2byzC1 ASP 227 H 0.13 0.21 0.19 -0.55 8.40 8.38 2byzC1 ASP 227 HA 0.09 0.14 0.74 -0.75 4.63 4.84 2byzC1 ASP 227 HB2 0.07 0.00 0.21 -0.04 2.71 2.95 2byzC1 ASP 227 HB3 0.16 0.17 -0.17 -0.04 2.70 2.81 2byzC1 GLY 228 H 0.09 0.33 0.15 -0.55 8.43 8.46 2byzC1 GLY 228 HA2 0.11 -0.09 0.28 -0.51 4.01 3.79 2byzC1 GLY 228 HA3 0.02 0.24 0.45 -0.51 4.01 4.22 2byzC1 PHE 229 H 0.11 0.35 0.22 -0.55 8.34 8.47 2byzC1 PHE 229 HA 0.04 0.27 0.71 -0.75 4.62 4.88 2byzC1 PHE 229 HB2 0.08 -0.02 0.18 -0.04 3.15 3.34 2byzC1 PHE 229 HB3 0.08 -0.10 0.02 -0.04 3.06 3.02 2byzC1 PHE 229 HD2 0.05 0.03 -0.26 -0.04 7.28 7.06 2byzC1 PHE 229 HE2 -0.14 -0.02 -0.04 -0.04 7.38 7.14 2byzC1 PHE 229 HZ -1.03 -0.03 -0.02 -0.04 7.32 6.20 2byzC1 VAL 230 H 0.28 0.22 0.18 -0.55 8.24 8.36 2byzC1 VAL 230 HA 0.06 0.14 0.87 -0.75 4.13 4.44 2byzC1 VAL 230 HB 0.13 -0.04 0.11 -0.04 2.12 2.28 2byzC1 VAL 230 HG13 0.15 0.06 -0.29 -0.04 0.97 0.85 2byzC1 VAL 230 HG23 0.08 0.03 -0.19 -0.04 0.95 0.82 2byzC1 ILE 231 H 0.09 0.19 0.16 -0.55 8.25 8.13 2byzC1 ILE 231 HA 0.28 0.12 0.57 -0.75 4.18 4.39 2byzC1 ILE 231 HB 0.06 0.00 0.15 -0.04 1.89 2.05 2byzC1 ILE 231 HG12 0.09 0.05 0.01 -0.04 1.49 1.60 2byzC1 ILE 231 HG13 0.02 0.05 0.17 -0.04 1.21 1.41 2byzC1 ILE 231 HG23 0.24 0.01 -0.01 -0.04 0.93 1.13 2byzC1 ILE 231 HD13 0.06 -0.03 0.03 -0.04 0.88 0.89 2byzC1 ALA 232 H 0.07 0.52 0.29 -0.55 8.40 8.72 2byzC1 ALA 232 HA -0.00 0.06 0.75 -0.75 4.34 4.39 2byzC1 ALA 232 HB3 0.03 0.02 -0.17 -0.04 1.41 1.25 2byzC1 GLY 233 H -0.15 0.63 0.30 -0.55 8.43 8.66 2byzC1 GLY 233 HA2 -0.02 0.17 0.81 -0.51 4.01 4.46 2byzC1 GLY 233 HA3 -0.08 -0.10 0.25 -0.51 4.01 3.58 2byzC1 GLY 234 H -0.01 0.47 0.40 -0.55 8.43 8.75 2byzC1 GLY 234 HA2 -0.78 0.00 0.35 -0.51 4.01 3.08 2byzC1 GLY 234 HA3 -0.23 0.23 0.94 -0.51 4.01 4.44 2byzC1 GLY 235 H -0.11 0.78 0.45 -0.55 8.43 9.00 2byzC1 GLY 235 HA2 0.02 0.12 0.83 -0.51 4.01 4.47 2byzC1 GLY 235 HA3 0.08 -0.01 0.22 -0.51 4.01 3.80 2byzC1 GLY 236 H -0.01 0.57 0.39 -0.55 8.43 8.82 2byzC1 GLY 236 HA2 -0.06 0.22 0.68 -0.51 4.01 4.34 2byzC1 GLY 236 HA3 -0.09 -0.03 0.32 -0.51 4.01 3.70 2byzC1 MET 237 H -0.07 0.62 0.34 -0.55 8.47 8.81 2byzC1 MET 237 HA -0.05 0.19 0.76 -0.75 4.52 4.66 2byzC1 MET 237 HB2 -0.07 -0.03 -0.41 -0.04 2.15 1.60 2byzC1 MET 237 HB3 -0.08 0.03 -0.32 -0.04 2.03 1.62 2byzC1 MET 237 HG2 -0.14 -0.02 -0.18 -0.04 2.63 2.24 2byzC1 MET 237 HG3 0.00 0.12 -0.16 -0.04 2.56 2.49 2byzC1 MET 237 HE3 -0.04 0.02 -0.13 -0.04 2.10 1.91 2byzC1 VAL 238 H -0.05 0.73 0.44 -0.55 8.24 8.81 2byzC1 VAL 238 HA -0.07 0.27 1.15 -0.75 4.13 4.72 2byzC1 VAL 238 HB -0.10 0.07 0.12 -0.04 2.12 2.16 2byzC1 VAL 238 HG13 -0.13 -0.04 -0.12 -0.04 0.97 0.65 2byzC1 VAL 238 HG23 -0.09 0.02 -0.03 -0.04 0.95 0.81 2byzC1 VAL 239 H -0.06 0.65 0.34 -0.55 8.24 8.62 2byzC1 VAL 239 HA -0.26 0.13 0.86 -0.75 4.13 4.12 2byzC1 VAL 239 HB -0.07 -0.17 0.16 -0.04 2.12 2.00 2byzC1 VAL 239 HG13 -0.34 0.03 -0.20 -0.04 0.97 0.42 2byzC1 VAL 239 HG23 0.02 0.02 -0.22 -0.04 0.95 0.73 2byzC1 VAL 240 H -0.23 0.61 0.30 -0.55 8.24 8.37 2byzC1 VAL 240 HA -0.11 0.21 0.83 -0.75 4.13 4.30 2byzC1 VAL 240 HB -0.15 0.05 0.16 -0.04 2.12 2.14 2byzC1 VAL 240 HG13 -0.10 -0.01 -0.25 -0.04 0.97 0.57 2byzC1 VAL 240 HG23 -0.11 -0.01 -0.06 -0.04 0.95 0.72 2byzC1 GLU 241 H -0.09 0.71 0.41 -0.55 8.60 9.09 2byzC1 GLU 241 HA -0.16 0.31 1.06 -0.75 4.29 4.75 2byzC1 GLU 241 HB2 -0.13 -0.08 -0.26 -0.04 2.09 1.58 2byzC1 GLU 241 HB3 -0.05 -0.02 -0.03 -0.04 1.99 1.84 2byzC1 GLU 241 HG2 0.01 0.10 -0.06 -0.04 2.34 2.35 2byzC1 GLU 241 HG3 -0.19 0.14 0.08 -0.04 2.34 2.33 2byzC1 GLU 242 H -0.11 0.61 0.35 -0.55 8.60 8.91 2byzC1 GLU 242 HA -0.03 0.25 0.70 -0.75 4.29 4.46 2byzC1 GLU 242 HB2 -0.05 0.17 0.27 -0.04 2.09 2.45 2byzC1 GLU 242 HB3 0.01 -0.12 0.25 -0.04 1.99 2.09 2byzC1 GLU 242 HG2 -0.00 0.07 0.17 -0.04 2.34 2.53 2byzC1 GLU 242 HG3 -0.00 0.12 0.11 -0.04 2.34 2.53 2byzC1 LEU 243 H -0.00 0.66 0.37 -0.55 8.37 8.85 2byzC1 LEU 243 HA -0.00 0.07 0.31 -0.75 4.35 3.97 2byzC1 LEU 243 HB2 -0.01 0.06 0.07 -0.04 1.64 1.72 2byzC1 LEU 243 HB3 0.00 -0.09 0.21 -0.04 1.64 1.72 2byzC1 LEU 243 HG -0.00 -0.01 -0.23 -0.04 1.64 1.35 2byzC1 LEU 243 HD13 -0.01 0.00 -0.04 -0.04 0.93 0.84 2byzC1 LEU 243 HD23 -0.01 0.02 -0.01 -0.04 0.89 0.85 2byzC1 GLU 244 H 0.02 0.13 0.01 -0.55 8.60 8.21 2byzC1 GLU 244 HA 0.00 0.09 0.41 -0.75 4.29 4.04 2byzC1 GLU 244 HB2 0.02 -0.01 0.08 -0.04 2.09 2.15 2byzC1 GLU 244 HB3 0.00 0.04 0.03 -0.04 1.99 2.02 2byzC1 GLU 244 HG2 0.01 -0.03 0.09 -0.04 2.34 2.37 2byzC1 GLU 244 HG3 0.00 0.05 0.04 -0.04 2.34 2.39 2byzC1 HIS 245 H 0.11 0.09 -0.29 -0.55 8.41 7.77 2byzC1 HIS 245 HA -0.01 0.05 0.40 -0.75 4.63 4.31 2byzC1 HIS 245 HB2 -0.02 -0.06 0.12 -0.04 3.26 3.26 2byzC1 HIS 245 HB3 -0.03 0.16 0.13 -0.04 3.20 3.42 2byzC1 HIS 245 HD2 -0.01 -0.02 0.01 -0.04 6.97 6.91 2byzC1 HIS 245 HE1 -0.01 0.01 -0.10 -0.04 7.75 7.61 2byzC1 ALA 246 H 0.08 0.48 -0.19 -0.55 8.40 8.23 2byzC1 ALA 246 HA 0.08 0.04 0.37 -0.75 4.34 4.08 2byzC1 ALA 246 HB3 0.01 0.02 -0.05 -0.04 1.41 1.36 2byzC1 LEU 247 H -0.00 0.57 -0.02 -0.55 8.37 8.37 2byzC1 LEU 247 HA -0.02 0.07 0.43 -0.75 4.35 4.08 2byzC1 LEU 247 HB2 -0.01 0.03 0.14 -0.04 1.64 1.75 2byzC1 LEU 247 HB3 -0.02 -0.02 0.02 -0.04 1.64 1.58 2byzC1 LEU 247 HG -0.01 0.13 0.04 -0.04 1.64 1.76 2byzC1 LEU 247 HD13 -0.01 -0.03 -0.06 -0.04 0.93 0.79 2byzC1 LEU 247 HD23 -0.02 0.01 -0.02 -0.04 0.89 0.82 2byzC1 ALA 248 H -0.05 0.55 -0.20 -0.55 8.40 8.15 2byzC1 ALA 248 HA -0.05 -0.01 0.40 -0.75 4.34 3.93 2byzC1 ALA 248 HB3 -0.11 0.01 0.10 -0.04 1.41 1.38 2byzC1 ARG 249 H -0.07 0.32 -0.45 -0.55 8.46 7.71 2byzC1 ARG 249 HA -0.05 0.15 0.91 -0.75 4.34 4.60 2byzC1 ARG 249 HB2 -0.03 -0.05 0.14 -0.04 1.90 1.92 2byzC1 ARG 249 HB3 -0.12 -0.03 0.02 -0.04 1.80 1.62 2byzC1 ARG 249 HG2 -0.01 0.15 0.09 -0.04 1.67 1.86 2byzC1 ARG 249 HG3 0.01 0.01 -0.18 -0.04 1.67 1.47 2byzC1 ARG 249 HD2 0.05 -0.03 -0.03 -0.04 3.22 3.17 2byzC1 ARG 249 HD3 0.06 -0.02 -0.06 -0.04 3.22 3.17 2byzC1 GLY 250 H -0.03 0.41 -0.27 -0.55 8.43 8.00 2byzC1 GLY 250 HA2 -0.01 0.02 0.34 -0.51 4.01 3.85 2byzC1 GLY 250 HA3 -0.01 -0.03 0.43 -0.51 4.01 3.90 2byzC1 ALA 251 H -0.00 0.43 -0.05 -0.55 8.40 8.23 2byzC1 ALA 251 HA 0.02 0.14 0.39 -0.75 4.34 4.14 2byzC1 ALA 251 HB3 0.01 -0.03 -0.01 -0.04 1.41 1.34 2byzC1 HIS 252 H 0.07 0.25 0.20 -0.55 8.41 8.39 2byzC1 HIS 252 HA -0.09 0.10 0.70 -0.75 4.63 4.58 2byzC1 HIS 252 HB2 -0.10 0.02 0.12 -0.04 3.26 3.26 2byzC1 HIS 252 HB3 -0.12 0.08 0.24 -0.04 3.20 3.35 2byzC1 HIS 252 HD2 -0.75 -0.05 -0.13 -0.04 6.97 6.00 2byzC1 HIS 252 HE1 -0.22 0.02 -0.04 -0.04 7.75 7.46 2byzC1 ILE 253 H -0.30 0.23 0.07 -0.55 8.25 7.70 2byzC1 ILE 253 HA -0.17 0.17 0.81 -0.75 4.18 4.24 2byzC1 ILE 253 HB -0.14 0.05 0.07 -0.04 1.89 1.83 2byzC1 ILE 253 HG12 -0.06 -0.04 -0.26 -0.04 1.49 1.09 2byzC1 ILE 253 HG13 -0.08 0.12 -0.34 -0.04 1.21 0.88 2byzC1 ILE 253 HG23 -0.06 -0.03 -0.25 -0.04 0.93 0.55 2byzC1 ILE 253 HD13 -0.04 -0.01 -0.12 -0.04 0.88 0.67 2byzC1 TYR 254 H 0.02 0.65 0.35 -0.55 8.29 8.76 2byzC1 TYR 254 HA -0.19 0.10 0.52 -0.75 4.56 4.24 2byzC1 TYR 254 HB2 -0.07 0.00 0.16 -0.04 3.06 3.11 2byzC1 TYR 254 HB3 -0.05 -0.05 -0.05 -0.04 2.98 2.80 2byzC1 TYR 254 HD2 -0.01 0.07 -0.15 -0.04 7.15 7.02 2byzC1 TYR 254 HE2 0.10 -0.02 -0.19 -0.04 6.85 6.70 2byzC1 ALA 255 H 0.05 0.20 0.21 -0.55 8.40 8.31 2byzC1 ALA 255 HA -0.01 0.12 0.39 -0.75 4.34 4.09 2byzC1 ALA 255 HB3 0.02 0.04 -0.22 -0.04 1.41 1.21 2byzC1 GLU 256 H -0.00 0.93 0.34 -0.55 8.60 9.32 2byzC1 GLU 256 HA -0.01 0.13 1.07 -0.75 4.29 4.72 2byzC1 GLU 256 HB2 -0.01 -0.04 0.01 -0.04 2.09 2.01 2byzC1 GLU 256 HB3 -0.00 0.05 0.09 -0.04 1.99 2.09 2byzC1 GLU 256 HG2 -0.00 0.03 -0.40 -0.04 2.34 1.92 2byzC1 GLU 256 HG3 -0.01 0.07 0.01 -0.04 2.34 2.37 2byzC1 ILE 257 H -0.01 0.60 0.29 -0.55 8.25 8.58 2byzC1 ILE 257 HA -0.00 0.15 0.85 -0.75 4.18 4.42 2byzC1 ILE 257 HB -0.02 0.01 0.20 -0.04 1.89 2.04 2byzC1 ILE 257 HG12 -0.04 -0.02 -0.10 -0.04 1.49 1.30 2byzC1 ILE 257 HG13 -0.03 -0.02 -0.11 -0.04 1.21 1.01 2byzC1 ILE 257 HG23 -0.00 -0.02 -0.06 -0.04 0.93 0.80 2byzC1 ILE 257 HD13 -0.07 -0.02 -0.12 -0.04 0.88 0.62 2byzC1 VAL 258 H 0.02 0.37 0.30 -0.55 8.24 8.37 2byzC1 VAL 258 HA 0.02 0.15 0.74 -0.75 4.13 4.28 2byzC1 VAL 258 HB 0.01 0.01 0.08 -0.04 2.12 2.18 2byzC1 VAL 258 HG13 0.01 0.01 -0.09 -0.04 0.97 0.86 2byzC1 VAL 258 HG23 0.02 0.01 -0.15 -0.04 0.95 0.79 2byzC1 GLY 259 H 0.04 0.24 0.09 -0.55 8.43 8.26 2byzC1 GLY 259 HA2 0.07 0.18 0.74 -0.51 4.01 4.48 2byzC1 GLY 259 HA3 0.05 0.33 0.40 -0.51 4.01 4.29 2byzC1 TYR 260 H 0.11 0.34 0.10 -0.55 8.29 8.30 2byzC1 TYR 260 HA 0.00 0.25 0.95 -0.75 4.56 5.00 2byzC1 TYR 260 HB2 0.01 0.01 -0.01 -0.04 3.06 3.03 2byzC1 TYR 260 HB3 0.02 0.04 0.07 -0.04 2.98 3.06 2byzC1 TYR 260 HD2 0.02 0.10 0.00 -0.04 7.15 7.23 2byzC1 TYR 260 HE2 0.07 -0.03 -0.15 -0.04 6.85 6.70 2byzC1 GLY 261 H 0.04 0.60 0.31 -0.55 8.43 8.83 2byzC1 GLY 261 HA2 -0.23 0.21 0.91 -0.51 4.01 4.39 2byzC1 GLY 261 HA3 -0.08 0.14 0.33 -0.51 4.01 3.89 2byzC1 ALA 262 H -0.20 0.29 0.08 -0.55 8.40 8.02 2byzC1 ALA 262 HA 0.10 0.34 0.87 -0.75 4.34 4.90 2byzC1 ALA 262 HB3 -0.07 0.00 0.01 -0.04 1.41 1.31 2byzC1 THR 263 H 0.10 0.32 0.19 -0.55 8.28 8.34 2byzC1 THR 263 HA 0.00 0.27 0.92 -0.75 4.39 4.83 2byzC1 THR 263 HB 0.00 -0.02 0.12 -0.04 4.32 4.38 2byzC1 THR 263 HG23 -0.02 -0.01 -0.34 -0.04 1.22 0.81 2byzC1 SER 264 H 0.01 0.30 0.18 -0.55 8.46 8.41 2byzC1 SER 264 HA 0.05 0.31 1.01 -0.75 4.49 5.10 2byzC1 SER 264 HB2 0.01 0.05 -0.12 -0.04 3.95 3.84 2byzC1 SER 264 HB3 0.01 0.03 0.04 -0.04 3.93 3.97 2byzC1 ASP 265 H 0.03 0.64 0.37 -0.55 8.40 8.89 2byzC1 ASP 265 HA -0.01 0.03 0.56 -0.75 4.63 4.46 2byzC1 ASP 265 HB2 0.02 0.02 0.27 -0.04 2.71 2.97 2byzC1 ASP 265 HB3 -0.00 -0.03 0.04 -0.04 2.70 2.66 2byzC1 GLY 266 H 0.01 0.12 0.03 -0.55 8.43 8.05 2byzC1 GLY 266 HA2 0.01 0.04 0.24 -0.51 4.01 3.79 2byzC1 GLY 266 HA3 0.00 0.13 0.34 -0.51 4.01 3.98 2byzC1 ALA 267 H 0.01 -0.08 -0.29 -0.55 8.40 7.49 2byzC1 ALA 267 HA -0.00 0.29 0.89 -0.75 4.34 4.77 2byzC1 ALA 267 HB3 -0.00 -0.01 -0.01 -0.04 1.41 1.34 2byzC1 ASP 268 H 0.00 0.12 0.12 -0.55 8.40 8.10 2byzC1 ASP 268 HA -0.00 0.27 0.90 -0.75 4.63 5.04 2byzC1 ASP 268 HB2 -0.00 0.10 0.04 -0.04 2.71 2.81 2byzC1 ASP 268 HB3 0.01 0.22 0.16 -0.04 2.70 3.05 2byzC1 MET 269 H -0.02 0.24 0.17 -0.55 8.47 8.32 2byzC1 MET 269 HA 0.01 0.09 0.48 -0.75 4.52 4.34 2byzC1 MET 269 HB2 -0.05 0.03 0.15 -0.04 2.15 2.23 2byzC1 MET 269 HB3 -0.08 0.02 0.01 -0.04 2.03 1.94 2byzC1 MET 269 HG2 -0.01 0.05 0.03 -0.04 2.63 2.66 2byzC1 MET 269 HG3 -0.02 0.07 0.04 -0.04 2.56 2.60 2byzC1 MET 269 HE3 0.01 -0.01 0.03 -0.04 2.10 2.09 2byzC1 VAL 270 H -0.06 0.04 -0.05 -0.55 8.24 7.62 2byzC1 VAL 270 HA -0.17 0.12 0.98 -0.75 4.13 4.31 2byzC1 VAL 270 HB -0.52 0.02 0.13 -0.04 2.12 1.70 2byzC1 VAL 270 HG13 -0.68 -0.00 -0.16 -0.04 0.97 0.09 2byzC1 VAL 270 HG23 -0.12 0.02 -0.06 -0.04 0.95 0.75 2byzC1 ALA 271 H 0.01 -0.00 -0.09 -0.55 8.40 7.77 2byzC1 ALA 271 HA 0.09 0.24 0.94 -0.75 4.34 4.85 2byzC1 ALA 271 HB3 0.02 0.03 -0.01 -0.04 1.41 1.42 2byzC1 PRO 272 HA -0.02 -0.01 0.42 -0.51 4.44 4.32 2byzC1 PRO 272 HB2 -0.05 0.06 -0.04 -0.04 2.28 2.22 2byzC1 PRO 272 HB3 -0.17 -0.02 0.01 -0.04 2.02 1.79 2byzC1 PRO 272 HG2 0.07 0.01 0.00 -0.04 2.03 2.06 2byzC1 PRO 272 HG3 0.08 0.06 -0.08 -0.04 2.03 2.04 2byzC1 PRO 272 HD2 0.06 0.10 0.12 -0.04 3.68 3.93 2byzC1 PRO 272 HD3 0.13 0.27 0.16 -0.04 3.65 4.17 2byzC1 SER 273 H -0.06 0.03 0.19 -0.55 8.46 8.08 2byzC1 SER 273 HA -0.02 0.30 0.70 -0.75 4.49 4.72 2byzC1 SER 273 HB2 -0.02 0.14 0.14 -0.04 3.95 4.17 2byzC1 SER 273 HB3 -0.02 0.03 0.11 -0.04 3.93 4.01 2byzC1 GLY 274 H -0.13 -0.04 -0.08 -0.55 8.43 7.63 2byzC1 GLY 274 HA2 -0.14 0.01 0.26 -0.51 4.01 3.62 2byzC1 GLY 274 HA3 -0.06 0.32 0.46 -0.51 4.01 4.23 2byzC1 GLU 275 H -0.05 0.32 -0.89 -0.55 8.60 7.44 2byzC1 GLU 275 HA -0.03 0.17 0.38 -0.75 4.29 4.05 2byzC1 GLU 275 HB2 -0.02 0.12 0.06 -0.04 2.09 2.20 2byzC1 GLU 275 HB3 -0.03 -0.06 0.03 -0.04 1.99 1.88 2byzC1 GLU 275 HG2 -0.02 0.03 0.03 -0.04 2.34 2.34 2byzC1 GLU 275 HG3 -0.02 0.07 -0.00 -0.04 2.34 2.34 2byzC1 GLY 276 H -0.06 -0.04 -0.21 -0.55 8.43 7.57 2byzC1 GLY 276 HA2 -0.02 0.23 0.35 -0.51 4.01 4.05 2byzC1 GLY 276 HA3 -0.04 0.02 0.07 -0.51 4.01 3.55 2byzC1 ALA 277 H -0.16 -0.06 -0.46 -0.55 8.40 7.18 2byzC1 ALA 277 HA 0.00 0.04 0.28 -0.75 4.34 3.91 2byzC1 ALA 277 HB3 -0.36 0.04 -0.01 -0.04 1.41 1.03 2byzC1 VAL 278 H -0.04 0.42 -0.28 -0.55 8.24 7.79 2byzC1 VAL 278 HA -0.00 0.08 0.36 -0.75 4.13 3.82 2byzC1 VAL 278 HB -0.02 0.09 0.11 -0.04 2.12 2.25 2byzC1 VAL 278 HG13 -0.03 0.02 -0.16 -0.04 0.97 0.75 2byzC1 VAL 278 HG23 -0.02 0.10 0.05 -0.04 0.95 1.05 2byzC1 ARG 279 H -0.02 0.38 -0.18 -0.55 8.46 8.09 2byzC1 ARG 279 HA -0.03 0.09 0.40 -0.75 4.34 4.06 2byzC1 ARG 279 HB2 -0.02 0.02 0.11 -0.04 1.90 1.98 2byzC1 ARG 279 HB3 -0.03 -0.00 -0.02 -0.04 1.80 1.71 2byzC1 ARG 279 HG2 -0.03 0.02 0.02 -0.04 1.67 1.63 2byzC1 ARG 279 HG3 -0.02 0.09 0.05 -0.04 1.67 1.75 2byzC1 ARG 279 HD2 -0.03 0.00 0.00 -0.04 3.22 3.16 2byzC1 ARG 279 HD3 -0.02 0.01 -0.01 -0.04 3.22 3.16 2byzC1 CYS 280 H 0.02 0.43 -0.37 -0.55 8.50 8.03 2byzC1 CYS 280 HA -0.00 0.02 0.24 -0.75 4.58 4.08 2byzC1 CYS 280 HB2 0.09 0.03 -0.09 -0.04 2.97 2.96 2byzC1 CYS 280 HB3 0.15 0.07 -0.06 -0.04 2.97 3.10 2byzC1 MET 281 H 0.05 0.56 -0.20 -0.55 8.47 8.33 2byzC1 MET 281 HA 0.04 -0.01 0.33 -0.75 4.52 4.12 2byzC1 MET 281 HB2 0.01 0.11 0.07 -0.04 2.15 2.30 2byzC1 MET 281 HB3 -0.02 0.04 -0.10 -0.04 2.03 1.92 2byzC1 MET 281 HG2 0.11 -0.05 -0.09 -0.04 2.63 2.56 2byzC1 MET 281 HG3 0.16 0.01 -0.05 -0.04 2.56 2.63 2byzC1 MET 281 HE3 0.14 -0.02 -0.31 -0.04 2.10 1.86 2byzC1 LYS 282 H -0.03 0.49 -0.25 -0.55 8.42 8.07 2byzC1 LYS 282 HA -0.07 0.08 0.38 -0.75 4.32 3.95 2byzC1 LYS 282 HB2 -0.04 0.03 0.13 -0.04 1.87 1.95 2byzC1 LYS 282 HB3 -0.03 -0.02 -0.05 -0.04 1.79 1.65 2byzC1 LYS 282 HG2 -0.09 0.04 -0.00 -0.04 1.46 1.36 2byzC1 LYS 282 HG3 -0.08 0.07 0.02 -0.04 1.46 1.42 2byzC1 LYS 282 HD2 -0.04 -0.07 -0.12 -0.04 1.69 1.42 2byzC1 LYS 282 HD3 -0.04 -0.02 -0.04 -0.04 1.68 1.54 2byzC1 LYS 282 HE2 -0.06 0.08 -0.02 -0.04 2.99 2.95 2byzC1 LYS 282 HE3 -0.06 -0.03 -0.10 -0.04 2.99 2.76 2byzC1 MET 283 H -0.03 0.55 -0.18 -0.55 8.47 8.26 2byzC1 MET 283 HA -0.04 0.03 0.39 -0.75 4.52 4.15 2byzC1 MET 283 HB2 -0.06 0.03 0.12 -0.04 2.15 2.19 2byzC1 MET 283 HB3 -0.05 -0.00 0.14 -0.04 2.03 2.07 2byzC1 MET 283 HG2 -0.07 0.11 -0.13 -0.04 2.63 2.50 2byzC1 MET 283 HG3 -0.09 -0.01 0.07 -0.04 2.56 2.49 2byzC1 MET 283 HE3 -0.07 0.01 -0.01 -0.04 2.10 1.98 2byzC1 ALA 284 H -0.00 0.38 -0.34 -0.55 8.40 7.89 2byzC1 ALA 284 HA 0.03 -0.03 0.20 -0.75 4.34 3.78 2byzC1 ALA 284 HB3 0.03 -0.01 -0.16 -0.04 1.41 1.22 2byzC1 MET 285 H 0.01 0.31 -0.46 -0.55 8.47 7.79 2byzC1 MET 285 HA 0.02 0.09 0.62 -0.75 4.52 4.50 2byzC1 MET 285 HB2 -0.04 0.05 0.06 -0.04 2.15 2.18 2byzC1 MET 285 HB3 -0.02 -0.01 0.07 -0.04 2.03 2.03 2byzC1 MET 285 HG2 0.03 -0.03 -0.08 -0.04 2.63 2.51 2byzC1 MET 285 HG3 0.00 0.02 -0.11 -0.04 2.56 2.44 2byzC1 MET 285 HE3 -0.10 0.01 -0.05 -0.04 2.10 1.92 2byzC1 HIS 286 H 0.11 0.30 -0.35 -0.55 8.41 7.92 2byzC1 HIS 286 HA -0.02 -0.05 0.44 -0.75 4.63 4.25 2byzC1 HIS 286 HB2 -0.02 0.03 0.17 -0.04 3.26 3.40 2byzC1 HIS 286 HB3 -0.01 0.08 0.19 -0.04 3.20 3.41 2byzC1 HIS 286 HD2 -0.01 0.02 -0.07 -0.04 6.97 6.86 2byzC1 HIS 286 HE1 -0.01 -0.04 -0.01 -0.04 7.75 7.64 2byzC1 GLY 287 H -0.26 0.12 0.18 -0.55 8.43 7.92 2byzC1 GLY 287 HA2 -0.17 -0.07 0.34 -0.51 4.01 3.59 2byzC1 GLY 287 HA3 -0.09 0.18 0.69 -0.51 4.01 4.27 2byzC1 VAL 288 H -0.03 0.47 -0.50 -0.55 8.24 7.64 2byzC1 VAL 288 HA -0.01 0.01 0.53 -0.75 4.13 3.91 2byzC1 VAL 288 HB 0.01 0.07 0.18 -0.04 2.12 2.33 2byzC1 VAL 288 HG13 0.02 -0.07 -0.08 -0.04 0.97 0.80 2byzC1 VAL 288 HG23 0.02 0.01 -0.15 -0.04 0.95 0.79 2byzC1 ASP 289 H -0.01 0.18 0.20 -0.55 8.40 8.22 2byzC1 ASP 289 HA -0.01 0.14 0.54 -0.75 4.63 4.54 2byzC1 ASP 289 HB2 -0.01 -0.04 0.17 -0.04 2.71 2.79 2byzC1 ASP 289 HB3 -0.02 0.02 0.07 -0.04 2.70 2.73 2byzC1 THR 290 H 0.01 0.09 -0.40 -0.55 8.28 7.43 2byzC1 THR 290 HA 0.01 0.23 0.97 -0.75 4.39 4.85 2byzC1 THR 290 HB 0.02 0.06 0.03 -0.04 4.32 4.40 2byzC1 THR 290 HG23 0.01 -0.01 -0.14 -0.04 1.22 1.03 2byzC1 PRO 291 HA 0.09 0.10 0.53 -0.51 4.44 4.64 2byzC1 PRO 291 HB2 0.05 0.09 -0.07 -0.04 2.28 2.31 2byzC1 PRO 291 HB3 0.05 0.03 0.04 -0.04 2.02 2.10 2byzC1 PRO 291 HG2 0.03 -0.02 0.00 -0.04 2.03 2.00 2byzC1 PRO 291 HG3 0.02 0.04 0.03 -0.04 2.03 2.08 2byzC1 PRO 291 HD2 0.02 0.06 0.22 -0.04 3.68 3.94 2byzC1 PRO 291 HD3 0.02 0.18 0.14 -0.04 3.65 3.95 2byzC1 ILE 292 H 0.15 0.16 0.09 -0.55 8.25 8.10 2byzC1 ILE 292 HA 0.04 0.08 0.47 -0.75 4.18 4.02 2byzC1 ILE 292 HB -0.04 0.03 0.09 -0.04 1.89 1.92 2byzC1 ILE 292 HG12 0.30 0.04 0.00 -0.04 1.49 1.80 2byzC1 ILE 292 HG13 0.40 -0.05 -0.07 -0.04 1.21 1.45 2byzC1 ILE 292 HG23 -0.06 -0.05 -0.25 -0.04 0.93 0.53 2byzC1 ILE 292 HD13 0.09 0.01 -0.24 -0.04 0.88 0.70 2byzC1 ASP 293 H 0.02 0.55 0.41 -0.55 8.40 8.84 2byzC1 ASP 293 HA 0.00 0.10 0.59 -0.75 4.63 4.57 2byzC1 ASP 293 HB2 0.04 0.04 0.23 -0.04 2.71 2.98 2byzC1 ASP 293 HB3 0.03 0.02 0.10 -0.04 2.70 2.80 2byzC1 TYR 294 H 0.04 0.26 0.22 -0.55 8.29 8.26 2byzC1 TYR 294 HA -0.08 0.30 0.75 -0.75 4.56 4.78 2byzC1 TYR 294 HB2 -0.06 0.10 -0.12 -0.04 3.06 2.93 2byzC1 TYR 294 HB3 -0.06 -0.06 0.00 -0.04 2.98 2.82 2byzC1 TYR 294 HD2 -0.06 0.01 -0.13 -0.04 7.15 6.92 2byzC1 TYR 294 HE2 -0.04 -0.05 -0.13 -0.04 6.85 6.58 2byzC1 LEU 295 H -0.66 0.70 0.29 -0.55 8.37 8.14 2byzC1 LEU 295 HA -0.39 0.25 1.10 -0.75 4.35 4.56 2byzC1 LEU 295 HB2 -0.28 0.04 -0.15 -0.04 1.64 1.21 2byzC1 LEU 295 HB3 -0.30 0.04 0.05 -0.04 1.64 1.39 2byzC1 LEU 295 HG -0.11 0.01 -0.18 -0.04 1.64 1.33 2byzC1 LEU 295 HD13 -0.05 0.00 -0.12 -0.04 0.93 0.73 2byzC1 LEU 295 HD23 -0.11 -0.05 -0.52 -0.04 0.89 0.17 2byzC1 ASN 296 H -0.34 0.83 0.40 -0.55 8.53 8.87 2byzC1 ASN 296 HA -0.17 0.22 0.91 -0.75 4.76 4.96 2byzC1 ASN 296 HB2 0.10 0.03 0.11 -0.04 2.88 3.09 2byzC1 ASN 296 HB3 -0.05 -0.06 0.30 -0.04 2.79 2.95 2byzC1 ASN 296 HD21 0.18 -0.15 0.03 -0.04 7.03 7.05 2byzC1 ASN 296 HD22 0.29 0.07 -0.00 -0.04 7.74 8.06 2byzC1 SER 297 H -0.05 0.31 0.12 -0.55 8.46 8.30 2byzC1 SER 297 HA -0.05 0.07 0.45 -0.75 4.49 4.20 2byzC1 SER 297 HB2 0.12 -0.23 0.05 -0.04 3.95 3.84 2byzC1 SER 297 HB3 0.06 0.15 -0.03 -0.04 3.93 4.07 2byzC1 GLN 298 H -0.01 0.07 0.09 -0.55 8.47 8.07 2byzC1 GLN 298 HA -0.18 0.25 0.49 -0.75 4.36 4.17 2byzC1 GLN 298 HB2 -0.29 0.05 -0.04 -0.04 2.15 1.84 2byzC1 GLN 298 HB3 0.11 -0.11 0.06 -0.04 2.02 2.04 2byzC1 GLN 298 HG2 0.12 -0.03 -0.03 -0.04 2.40 2.42 2byzC1 GLN 298 HG3 -0.08 -0.08 -0.21 -0.04 2.39 1.98 2byzC1 GLN 298 HE21 -0.08 0.19 0.13 -0.04 6.97 7.16 2byzC1 GLN 298 HE22 0.04 0.20 0.21 -0.04 7.69 8.10 2byzC1 GLY 299 H 0.02 0.05 -0.10 -0.55 8.43 7.86 2byzC1 GLY 299 HA2 -0.14 -0.09 0.27 -0.51 4.01 3.54 2byzC1 GLY 299 HA3 -0.21 0.11 0.20 -0.51 4.01 3.59 2byzC1 THR 300 H -0.05 0.00 -0.09 -0.55 8.28 7.60 2byzC1 THR 300 HA -0.13 0.26 0.52 -0.75 4.39 4.29 2byzC1 THR 300 HB 0.03 0.01 0.08 -0.04 4.32 4.40 2byzC1 THR 300 HG23 -0.16 0.01 -0.07 -0.04 1.22 0.95 2byzC1 SER 301 H -0.08 -0.06 -0.23 -0.55 8.46 7.54 2byzC1 SER 301 HA -0.07 -0.04 0.15 -0.75 4.49 3.78 2byzC1 SER 301 HB2 -0.02 -0.03 -0.32 -0.04 3.95 3.54 2byzC1 SER 301 HB3 0.08 0.29 0.33 -0.04 3.93 4.59 2byzC1 THR 302 H 0.05 -0.13 -0.02 -0.55 8.28 7.63 2byzC1 THR 302 HA 0.11 0.30 0.80 -0.75 4.39 4.84 2byzC1 THR 302 HB 0.15 0.12 0.05 -0.04 4.32 4.60 2byzC1 THR 302 HG23 0.27 0.03 -0.13 -0.04 1.22 1.36 2byzC1 PRO 303 HA 0.05 0.15 0.34 -0.51 4.44 4.48 2byzC1 PRO 303 HB2 0.05 -0.08 0.13 -0.04 2.28 2.34 2byzC1 PRO 303 HB3 0.04 0.13 0.06 -0.04 2.02 2.21 2byzC1 PRO 303 HG2 0.06 0.13 0.06 -0.04 2.03 2.23 2byzC1 PRO 303 HG3 0.06 0.26 0.01 -0.04 2.03 2.31 2byzC1 PRO 303 HD2 0.09 0.09 0.15 -0.04 3.68 3.97 2byzC1 PRO 303 HD3 0.08 0.13 0.11 -0.04 3.65 3.94 2byzC1 VAL 304 H 0.07 0.15 -0.04 -0.55 8.24 7.87 2byzC1 VAL 304 HA 0.05 0.20 0.55 -0.75 4.13 4.17 2byzC1 VAL 304 HB 0.07 -0.04 0.05 -0.04 2.12 2.16 2byzC1 VAL 304 HG13 0.04 0.01 -0.08 -0.04 0.97 0.90 2byzC1 VAL 304 HG23 0.04 0.04 0.01 -0.04 0.95 1.00 2byzC1 GLY 305 H 0.09 0.06 -0.18 -0.55 8.43 7.86 2byzC1 GLY 305 HA2 0.08 0.09 0.35 -0.51 4.01 4.02 2byzC1 GLY 305 HA3 0.10 -0.02 0.26 -0.51 4.01 3.85 2byzC1 ASP 306 H 0.06 0.42 -0.12 -0.55 8.40 8.21 2byzC1 ASP 306 HA 0.09 -0.09 0.35 -0.75 4.63 4.23 2byzC1 ASP 306 HB2 0.07 0.25 0.05 -0.04 2.71 3.05 2byzC1 ASP 306 HB3 0.15 0.07 -0.02 -0.04 2.70 2.87 2byzC1 VAL 307 H 0.09 0.26 -0.37 -0.55 8.24 7.67 2byzC1 VAL 307 HA 0.09 0.07 0.34 -0.75 4.13 3.88 2byzC1 VAL 307 HB 0.06 0.09 0.16 -0.04 2.12 2.39 2byzC1 VAL 307 HG13 0.04 0.00 -0.15 -0.04 0.97 0.82 2byzC1 VAL 307 HG23 0.06 0.01 0.04 -0.04 0.95 1.02 2byzC1 LYS 308 H 0.06 0.59 -0.02 -0.55 8.42 8.50 2byzC1 LYS 308 HA 0.02 0.07 0.37 -0.75 4.32 4.03 2byzC1 LYS 308 HB2 0.02 0.03 0.12 -0.04 1.87 2.00 2byzC1 LYS 308 HB3 -0.02 -0.14 -0.14 -0.04 1.79 1.44 2byzC1 LYS 308 HG2 0.03 0.10 0.04 -0.04 1.46 1.59 2byzC1 LYS 308 HG3 0.01 0.00 -0.07 -0.04 1.46 1.36 2byzC1 LYS 308 HD2 -0.01 -0.04 -0.22 -0.04 1.69 1.37 2byzC1 LYS 308 HD3 0.01 -0.01 -0.04 -0.04 1.68 1.59 2byzC1 LYS 308 HE2 0.00 0.03 -0.03 -0.04 2.99 2.95 2byzC1 LYS 308 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.92 2byzC1 GLU 309 H 0.08 0.49 -0.14 -0.55 8.60 8.48 2byzC1 GLU 309 HA 0.06 -0.02 0.39 -0.75 4.29 3.97 2byzC1 GLU 309 HB2 0.23 -0.09 0.07 -0.04 2.09 2.25 2byzC1 GLU 309 HB3 0.18 0.12 0.10 -0.04 1.99 2.35 2byzC1 GLU 309 HG2 0.18 0.13 -0.25 -0.04 2.34 2.36 2byzC1 GLU 309 HG3 0.25 0.03 -0.02 -0.04 2.34 2.56 2byzC1 LEU 310 H 0.11 0.44 -0.18 -0.55 8.37 8.19 2byzC1 LEU 310 HA 0.05 0.02 0.39 -0.75 4.35 4.06 2byzC1 LEU 310 HB2 0.06 0.11 0.13 -0.04 1.64 1.90 2byzC1 LEU 310 HB3 -0.00 0.10 0.00 -0.04 1.64 1.70 2byzC1 LEU 310 HG 0.21 0.09 0.06 -0.04 1.64 1.96 2byzC1 LEU 310 HD13 -0.05 -0.02 -0.16 -0.04 0.93 0.66 2byzC1 LEU 310 HD23 -0.21 -0.01 -0.07 -0.04 0.89 0.56 2byzC1 ALA 311 H 0.04 0.50 -0.14 -0.55 8.40 8.25 2byzC1 ALA 311 HA 0.02 0.07 0.42 -0.75 4.34 4.11 2byzC1 ALA 311 HB3 0.02 0.02 0.09 -0.04 1.41 1.50 2byzC1 ALA 312 H 0.03 0.43 -0.21 -0.55 8.40 8.10 2byzC1 ALA 312 HA 0.01 0.03 0.38 -0.75 4.34 4.00 2byzC1 ALA 312 HB3 0.01 -0.01 0.04 -0.04 1.41 1.41 2byzC1 ILE 313 H 0.08 0.54 -0.15 -0.55 8.25 8.17 2byzC1 ILE 313 HA 0.23 -0.02 0.36 -0.75 4.18 4.00 2byzC1 ILE 313 HB 0.06 0.13 0.13 -0.04 1.89 2.17 2byzC1 ILE 313 HG12 0.16 -0.04 -0.04 -0.04 1.49 1.52 2byzC1 ILE 313 HG13 0.12 0.22 0.04 -0.04 1.21 1.55 2byzC1 ILE 313 HG23 0.07 0.01 -0.13 -0.04 0.93 0.83 2byzC1 ILE 313 HD13 0.04 -0.04 -0.13 -0.04 0.88 0.71 2byzC1 ARG 314 H 0.06 0.53 -0.22 -0.55 8.46 8.27 2byzC1 ARG 314 HA 0.07 0.09 0.35 -0.75 4.34 4.10 2byzC1 ARG 314 HB2 0.03 0.10 0.23 -0.04 1.90 2.22 2byzC1 ARG 314 HB3 0.03 -0.04 -0.04 -0.04 1.80 1.71 2byzC1 ARG 314 HG2 0.02 -0.09 -0.00 -0.04 1.67 1.56 2byzC1 ARG 314 HG3 0.02 0.06 0.03 -0.04 1.67 1.75 2byzC1 ARG 314 HD2 0.01 -0.02 -0.05 -0.04 3.22 3.12 2byzC1 ARG 314 HD3 0.01 0.18 -0.04 -0.04 3.22 3.34 2byzC1 GLU 315 H 0.04 0.45 -0.16 -0.55 8.60 8.38 2byzC1 GLU 315 HA 0.01 -0.00 0.36 -0.75 4.29 3.90 2byzC1 GLU 315 HB2 0.01 -0.03 0.10 -0.04 2.09 2.13 2byzC1 GLU 315 HB3 0.01 0.12 0.19 -0.04 1.99 2.27 2byzC1 GLU 315 HG2 -0.01 -0.10 -0.06 -0.04 2.34 2.13 2byzC1 GLU 315 HG3 -0.02 0.06 -0.23 -0.04 2.34 2.11 2byzC1 VAL 316 H 0.02 0.48 -0.15 -0.55 8.24 8.04 2byzC1 VAL 316 HA -0.12 0.03 0.42 -0.75 4.13 3.70 2byzC1 VAL 316 HB -0.16 0.03 0.10 -0.04 2.12 2.05 2byzC1 VAL 316 HG13 -0.61 -0.01 -0.22 -0.04 0.97 0.09 2byzC1 VAL 316 HG23 -0.05 0.02 0.02 -0.04 0.95 0.90 2byzC1 PHE 317 H 0.19 0.55 -0.03 -0.55 8.34 8.50 2byzC1 PHE 317 HA 0.00 0.16 0.65 -0.75 4.62 4.67 2byzC1 PHE 317 HB2 -0.01 0.06 -0.13 -0.04 3.15 3.03 2byzC1 PHE 317 HB3 -0.01 0.08 -0.45 -0.04 3.06 2.65 2byzC1 PHE 317 HD2 -0.00 0.16 0.04 -0.04 7.28 7.44 2byzC1 PHE 317 HE2 -0.01 -0.09 -0.04 -0.04 7.38 7.20 2byzC1 PHE 317 HZ -0.01 -0.06 -0.09 -0.04 7.32 7.12 2byzC1 GLY 318 H 0.08 0.48 -0.29 -0.55 8.43 8.15 2byzC1 GLY 318 HA2 0.04 0.09 0.33 -0.51 4.01 3.96 2byzC1 GLY 318 HA3 0.04 -0.07 0.33 -0.51 4.01 3.80 2byzC1 ASP 319 H 0.04 0.13 0.24 -0.55 8.40 8.27 2byzC1 ASP 319 HA 0.03 0.15 0.76 -0.75 4.63 4.82 2byzC1 ASP 319 HB2 0.02 -0.01 0.17 -0.04 2.71 2.85 2byzC1 ASP 319 HB3 0.02 -0.04 0.07 -0.04 2.70 2.71 2byzC1 LYS 320 H 0.10 0.82 -0.11 -0.55 8.42 8.67 2byzC1 LYS 320 HA 0.04 0.18 0.88 -0.75 4.32 4.67 2byzC1 LYS 320 HB2 0.13 0.09 0.18 -0.04 1.87 2.23 2byzC1 LYS 320 HB3 0.10 -0.03 0.16 -0.04 1.79 1.98 2byzC1 LYS 320 HG2 0.05 -0.02 -0.00 -0.04 1.46 1.44 2byzC1 LYS 320 HG3 0.04 0.05 -0.10 -0.04 1.46 1.40 2byzC1 LYS 320 HD2 0.03 -0.03 -0.07 -0.04 1.69 1.58 2byzC1 LYS 320 HD3 0.05 -0.17 -0.09 -0.04 1.68 1.43 2byzC1 LYS 320 HE2 0.06 0.12 0.03 -0.04 2.99 3.17 2byzC1 LYS 320 HE3 0.04 -0.01 -0.01 -0.04 2.99 2.97 2byzC1 SER 321 H 0.02 0.14 -0.41 -0.55 8.46 7.66 2byzC1 SER 321 HA -0.17 0.05 0.37 -0.75 4.49 3.98 2byzC1 SER 321 HB2 -0.11 -0.01 -0.02 -0.04 3.95 3.77 2byzC1 SER 321 HB3 -0.01 0.06 -0.04 -0.04 3.93 3.91 2byzC1 PRO 322 HA -0.15 0.16 0.61 -0.51 4.44 4.56 2byzC1 PRO 322 HB2 -0.24 -0.04 -0.27 -0.04 2.28 1.69 2byzC1 PRO 322 HB3 -0.33 0.29 0.05 -0.04 2.02 2.00 2byzC1 PRO 322 HG2 -0.46 -0.04 -0.15 -0.04 2.03 1.33 2byzC1 PRO 322 HG3 -0.97 -0.05 -0.07 -0.04 2.03 0.90 2byzC1 PRO 322 HD2 -0.73 -0.02 0.14 -0.04 3.68 3.03 2byzC1 PRO 322 HD3 -1.49 0.23 0.18 -0.04 3.65 2.52 2byzC1 ALA 323 H -0.06 0.30 0.13 -0.55 8.40 8.22 2byzC1 ALA 323 HA -0.03 0.11 0.57 -0.75 4.34 4.23 2byzC1 ALA 323 HB3 0.07 0.02 0.19 -0.04 1.41 1.64 2byzC1 ILE 324 H -0.02 0.65 0.45 -0.55 8.25 8.79 2byzC1 ILE 324 HA -0.15 0.25 1.11 -0.75 4.18 4.63 2byzC1 ILE 324 HB -0.11 -0.01 -0.02 -0.04 1.89 1.71 2byzC1 ILE 324 HG12 -0.17 -0.07 -0.14 -0.04 1.49 1.07 2byzC1 ILE 324 HG13 -0.16 0.30 -0.58 -0.04 1.21 0.73 2byzC1 ILE 324 HG23 -0.04 -0.04 -0.16 -0.04 0.93 0.65 2byzC1 ILE 324 HD13 -0.13 -0.05 -0.12 -0.04 0.88 0.54 2byzC1 SER 325 H 0.02 0.48 0.35 -0.55 8.46 8.77 2byzC1 SER 325 HA 0.15 0.09 0.54 -0.75 4.49 4.51 2byzC1 SER 325 HB2 0.12 0.02 -0.14 -0.04 3.95 3.90 2byzC1 SER 325 HB3 0.19 0.07 -0.14 -0.04 3.93 4.00 2byzC1 ALA 326 H 0.15 0.27 0.05 -0.55 8.40 8.31 2byzC1 ALA 326 HA 0.04 0.17 0.87 -0.75 4.34 4.67 2byzC1 ALA 326 HB3 -0.04 0.04 0.05 -0.04 1.41 1.41 2byzC1 THR 327 H 0.04 0.28 0.04 -0.55 8.28 8.10 2byzC1 THR 327 HA -0.04 0.24 0.40 -0.75 4.39 4.23 2byzC1 THR 327 HB -0.22 -0.02 0.02 -0.04 4.32 4.06 2byzC1 THR 327 HG23 -0.02 0.05 -0.07 -0.04 1.22 1.13 2byzC1 LYS 328 H -0.04 0.16 -0.36 -0.55 8.42 7.63 2byzC1 LYS 328 HA -0.02 0.09 0.39 -0.75 4.32 4.02 2byzC1 LYS 328 HB2 -0.10 0.24 0.03 -0.04 1.87 2.01 2byzC1 LYS 328 HB3 -0.06 -0.11 -0.07 -0.04 1.79 1.51 2byzC1 LYS 328 HG2 -0.13 0.06 -0.03 -0.04 1.46 1.32 2byzC1 LYS 328 HG3 -0.13 0.03 -0.00 -0.04 1.46 1.31 2byzC1 LYS 328 HD2 -0.28 0.33 -0.20 -0.04 1.69 1.50 2byzC1 LYS 328 HD3 -0.36 -0.16 -0.05 -0.04 1.68 1.06 2byzC1 LYS 328 HE2 -1.31 -0.14 0.01 -0.04 2.99 1.51 2byzC1 LYS 328 HE3 -0.77 -0.18 0.04 -0.04 2.99 2.04 2byzC1 ALA 329 H -0.04 0.41 -0.42 -0.55 8.40 7.80 2byzC1 ALA 329 HA -0.03 -0.08 0.16 -0.75 4.34 3.65 2byzC1 ALA 329 HB3 -0.02 0.03 0.02 -0.04 1.41 1.39 2byzC1 MET 330 H -0.04 0.29 -0.29 -0.55 8.47 7.89 2byzC1 MET 330 HA -0.01 0.26 1.06 -0.75 4.52 5.08 2byzC1 MET 330 HB2 -0.03 0.14 -0.22 -0.04 2.15 2.00 2byzC1 MET 330 HB3 -0.03 0.02 -0.20 -0.04 2.03 1.78 2byzC1 MET 330 HG2 -0.08 0.00 0.08 -0.04 2.63 2.59 2byzC1 MET 330 HG3 -0.11 -0.05 -0.11 -0.04 2.56 2.24 2byzC1 MET 330 HE3 -0.05 -0.01 0.01 -0.04 2.10 2.01 2byzC1 THR 331 H -0.04 0.35 0.08 -0.55 8.28 8.12 2byzC1 THR 331 HA -0.01 0.12 0.68 -0.75 4.39 4.42 2byzC1 THR 331 HB 0.04 -0.16 0.02 -0.04 4.32 4.17 2byzC1 THR 331 HG23 -0.19 0.06 -0.07 -0.04 1.22 0.99 2byzC1 GLY 332 H 0.02 0.53 0.04 -0.55 8.43 8.48 2byzC1 GLY 332 HA2 0.09 0.02 0.36 -0.51 4.01 3.97 2byzC1 GLY 332 HA3 0.09 0.09 0.52 -0.51 4.01 4.20 2byzC1 HIS 333 H 0.22 0.86 0.29 -0.55 8.41 9.24 2byzC1 HIS 333 HA -0.08 0.15 0.80 -0.75 4.63 4.75 2byzC1 HIS 333 HB2 -0.15 0.06 0.10 -0.04 3.26 3.23 2byzC1 HIS 333 HB3 -0.22 -0.04 0.18 -0.04 3.20 3.07 2byzC1 HIS 333 HD2 -0.87 0.00 0.03 -0.04 6.97 6.09 2byzC1 HIS 333 HE1 -0.22 0.10 0.12 -0.04 7.75 7.70 2byzC1 SER 334 H 0.10 0.28 0.02 -0.55 8.46 8.30 2byzC1 SER 334 HA 0.01 0.39 0.37 -0.75 4.49 4.51 2byzC1 SER 334 HB2 -0.01 -0.07 -0.18 -0.04 3.95 3.65 2byzC1 SER 334 HB3 -0.00 0.17 -0.27 -0.04 3.93 3.79 2byzC1 LEU 335 H 0.16 0.11 -0.60 -0.55 8.37 7.49 2byzC1 LEU 335 HA -0.33 0.07 0.31 -0.75 4.35 3.65 2byzC1 LEU 335 HB2 -0.08 -0.00 0.12 -0.04 1.64 1.63 2byzC1 LEU 335 HB3 -0.16 -0.02 0.12 -0.04 1.64 1.53 2byzC1 LEU 335 HG -0.25 0.18 -0.12 -0.04 1.64 1.41 2byzC1 LEU 335 HD13 -0.12 0.00 0.02 -0.04 0.93 0.79 2byzC1 LEU 335 HD23 -0.98 -0.01 0.03 -0.04 0.89 -0.10 2byzC1 GLY 336 H -0.02 0.10 0.28 -0.55 8.43 8.23 2byzC1 GLY 336 HA2 0.00 0.15 0.38 -0.51 4.01 4.03 2byzC1 GLY 336 HA3 0.01 -0.11 0.39 -0.51 4.01 3.80 2byzC1 ALA 337 H -0.00 0.54 -0.37 -0.55 8.40 8.02 2byzC1 ALA 337 HA -0.02 0.12 0.51 -0.75 4.34 4.20 2byzC1 ALA 337 HB3 -0.01 0.01 -0.22 -0.04 1.41 1.15 2byzC1 ALA 338 H -0.00 0.43 -0.65 -0.55 8.40 7.63 2byzC1 ALA 338 HA -0.06 0.05 0.20 -0.75 4.34 3.78 2byzC1 ALA 338 HB3 -0.03 0.02 0.01 -0.04 1.41 1.37 2byzC1 GLY 339 H -0.06 0.13 -0.39 -0.55 8.43 7.56 2byzC1 GLY 339 HA2 -0.12 0.16 0.19 -0.51 4.01 3.73 2byzC1 GLY 339 HA3 -0.10 -0.09 0.04 -0.51 4.01 3.35 2byzC1 VAL 340 H -0.09 0.08 -0.37 -0.55 8.24 7.32 2byzC1 VAL 340 HA -0.12 0.17 0.34 -0.75 4.13 3.76 2byzC1 VAL 340 HB -0.08 0.03 -0.05 -0.04 2.12 1.98 2byzC1 VAL 340 HG13 -0.08 0.02 -0.06 -0.04 0.97 0.81 2byzC1 VAL 340 HG23 -0.10 0.04 -0.23 -0.04 0.95 0.61 2byzC1 GLN 341 H -0.17 0.45 -0.24 -0.55 8.47 7.96 2byzC1 GLN 341 HA -0.37 0.07 0.34 -0.75 4.36 3.65 2byzC1 GLN 341 HB2 -0.22 0.01 -0.03 -0.04 2.15 1.87 2byzC1 GLN 341 HB3 -0.47 -0.02 -0.10 -0.04 2.02 1.39 2byzC1 GLN 341 HG2 -0.15 0.07 -0.14 -0.04 2.40 2.14 2byzC1 GLN 341 HG3 -0.12 0.12 -0.17 -0.04 2.39 2.18 2byzC1 GLN 341 HE21 -0.07 -0.02 0.09 -0.04 6.97 6.93 2byzC1 GLN 341 HE22 -0.07 0.22 -0.06 -0.04 7.69 7.74 2byzC1 GLU 342 H -0.25 0.63 -0.24 -0.55 8.60 8.19 2byzC1 GLU 342 HA -0.23 0.02 0.48 -0.75 4.29 3.81 2byzC1 GLU 342 HB2 -0.12 0.19 0.05 -0.04 2.09 2.17 2byzC1 GLU 342 HB3 -0.04 0.02 -0.03 -0.04 1.99 1.90 2byzC1 GLU 342 HG2 0.13 -0.04 -0.00 -0.04 2.34 2.39 2byzC1 GLU 342 HG3 0.09 -0.09 -0.07 -0.04 2.34 2.22 2byzC1 ALA 343 H -0.19 0.31 -0.41 -0.55 8.40 7.56 2byzC1 ALA 343 HA -0.08 0.06 0.39 -0.75 4.34 3.97 2byzC1 ALA 343 HB3 -0.11 0.05 0.03 -0.04 1.41 1.34 2byzC1 ILE 344 H -0.25 0.44 -0.31 -0.55 8.25 7.58 2byzC1 ILE 344 HA -0.15 0.06 0.36 -0.75 4.18 3.70 2byzC1 ILE 344 HB -0.32 0.11 0.12 -0.04 1.89 1.76 2byzC1 ILE 344 HG12 -0.17 -0.01 -0.03 -0.04 1.49 1.24 2byzC1 ILE 344 HG13 -0.17 0.13 -0.01 -0.04 1.21 1.12 2byzC1 ILE 344 HG23 -0.08 -0.02 -0.21 -0.04 0.93 0.58 2byzC1 ILE 344 HD13 -0.13 -0.05 -0.07 -0.04 0.88 0.59 2byzC1 TYR 345 H -0.33 0.38 -0.22 -0.55 8.29 7.57 2byzC1 TYR 345 HA -0.01 0.04 0.36 -0.75 4.56 4.19 2byzC1 TYR 345 HB2 -0.01 0.08 0.08 -0.04 3.06 3.17 2byzC1 TYR 345 HB3 -0.01 -0.01 -0.01 -0.04 2.98 2.91 2byzC1 TYR 345 HD2 -0.01 -0.03 -0.09 -0.04 7.15 6.97 2byzC1 TYR 345 HE2 -0.03 -0.07 -0.17 -0.04 6.85 6.54 2byzC1 SER 346 H 0.06 0.48 -0.33 -0.55 8.46 8.11 2byzC1 SER 346 HA 0.06 0.03 0.39 -0.75 4.49 4.22 2byzC1 SER 346 HB2 0.02 0.13 0.05 -0.04 3.95 4.12 2byzC1 SER 346 HB3 0.10 -0.03 -0.06 -0.04 3.93 3.90 2byzC1 LEU 347 H -0.03 0.43 -0.28 -0.55 8.37 7.95 2byzC1 LEU 347 HA -0.00 0.07 0.36 -0.75 4.35 4.03 2byzC1 LEU 347 HB2 -0.14 0.04 0.08 -0.04 1.64 1.57 2byzC1 LEU 347 HB3 -0.18 -0.01 -0.07 -0.04 1.64 1.34 2byzC1 LEU 347 HG -0.08 0.19 -0.05 -0.04 1.64 1.67 2byzC1 LEU 347 HD13 -0.21 -0.04 -0.14 -0.04 0.93 0.51 2byzC1 LEU 347 HD23 -0.02 -0.01 -0.15 -0.04 0.89 0.67 2byzC1 LEU 348 H 0.04 0.44 -0.33 -0.55 8.37 7.96 2byzC1 LEU 348 HA 0.25 0.05 0.44 -0.75 4.35 4.33 2byzC1 LEU 348 HB2 0.15 0.12 0.10 -0.04 1.64 1.98 2byzC1 LEU 348 HB3 0.30 -0.03 -0.04 -0.04 1.64 1.83 2byzC1 LEU 348 HG 0.07 0.23 0.01 -0.04 1.64 1.92 2byzC1 LEU 348 HD13 0.15 -0.05 -0.10 -0.04 0.93 0.89 2byzC1 LEU 348 HD23 0.21 -0.02 -0.06 -0.04 0.89 0.98 2byzC1 MET 349 H -0.10 0.43 -0.19 -0.55 8.47 8.06 2byzC1 MET 349 HA -0.79 0.01 0.40 -0.75 4.52 3.39 2byzC1 MET 349 HB2 -0.32 0.03 0.18 -0.04 2.15 2.00 2byzC1 MET 349 HB3 -0.60 0.18 0.13 -0.04 2.03 1.71 2byzC1 MET 349 HG2 -1.64 -0.01 -0.09 -0.04 2.63 0.85 2byzC1 MET 349 HG3 -0.52 0.10 0.02 -0.04 2.56 2.12 2byzC1 MET 349 HE3 -0.05 -0.02 -0.19 -0.04 2.10 1.80 2byzC1 LEU 350 H -0.04 0.47 -0.25 -0.55 8.37 8.00 2byzC1 LEU 350 HA -0.02 -0.01 0.40 -0.75 4.35 3.96 2byzC1 LEU 350 HB2 0.01 -0.03 -0.01 -0.04 1.64 1.57 2byzC1 LEU 350 HB3 0.03 0.05 0.07 -0.04 1.64 1.75 2byzC1 LEU 350 HG 0.02 0.10 -0.19 -0.04 1.64 1.53 2byzC1 LEU 350 HD13 0.01 -0.01 -0.31 -0.04 0.93 0.58 2byzC1 LEU 350 HD23 0.02 -0.03 -0.23 -0.04 0.89 0.62 2byzC1 GLU 351 H 0.07 0.52 -0.16 -0.55 8.60 8.48 2byzC1 GLU 351 HA -0.00 0.10 0.49 -0.75 4.29 4.12 2byzC1 GLU 351 HB2 0.24 0.01 0.12 -0.04 2.09 2.41 2byzC1 GLU 351 HB3 0.07 -0.04 0.16 -0.04 1.99 2.14 2byzC1 GLU 351 HG2 0.02 -0.11 -0.05 -0.04 2.34 2.16 2byzC1 GLU 351 HG3 -0.41 0.01 -0.19 -0.04 2.34 1.71 2byzC1 HIS 352 H 0.18 0.56 -0.16 -0.55 8.41 8.44 2byzC1 HIS 352 HA 0.10 0.16 0.82 -0.75 4.63 4.96 2byzC1 HIS 352 HB2 0.40 0.09 0.01 -0.04 3.26 3.72 2byzC1 HIS 352 HB3 0.14 -0.06 0.07 -0.04 3.20 3.30 2byzC1 HIS 352 HD2 0.19 0.03 0.05 -0.04 6.97 7.20 2byzC1 HIS 352 HE1 0.04 -0.03 -0.05 -0.04 7.75 7.67 2byzC1 GLY 353 H 0.10 0.26 -0.31 -0.55 8.43 7.93 2byzC1 GLY 353 HA2 0.05 0.01 0.51 -0.51 4.01 4.07 2byzC1 GLY 353 HA3 0.09 -0.07 0.37 -0.51 4.01 3.89 2byzC1 PHE 354 H -0.08 0.48 0.25 -0.55 8.34 8.44 2byzC1 PHE 354 HA -0.04 0.09 0.73 -0.75 4.62 4.65 2byzC1 PHE 354 HB2 -0.04 -0.04 -0.10 -0.04 3.15 2.94 2byzC1 PHE 354 HB3 -0.01 0.15 -0.39 -0.04 3.06 2.77 2byzC1 PHE 354 HD2 -0.01 0.08 -0.45 -0.04 7.28 6.86 2byzC1 PHE 354 HE2 -0.02 0.00 -0.37 -0.04 7.38 6.95 2byzC1 PHE 354 HZ -0.05 -0.07 -0.16 -0.04 7.32 7.00 2byzC1 ILE 355 H 0.05 0.56 0.23 -0.55 8.25 8.54 2byzC1 ILE 355 HA -0.65 0.09 0.91 -0.75 4.18 3.77 2byzC1 ILE 355 HB -0.07 -0.01 0.12 -0.04 1.89 1.88 2byzC1 ILE 355 HG12 -0.36 -0.01 -0.12 -0.04 1.49 0.96 2byzC1 ILE 355 HG13 -0.14 0.00 -0.32 -0.04 1.21 0.71 2byzC1 ILE 355 HG23 -0.19 0.02 -0.20 -0.04 0.93 0.52 2byzC1 ILE 355 HD13 0.02 0.00 -0.07 -0.04 0.88 0.79 2byzC1 ALA 356 H -0.47 0.08 0.00 -0.55 8.40 7.46 2byzC1 ALA 356 HA 0.18 0.20 0.38 -0.75 4.34 4.35 2byzC1 ALA 356 HB3 -0.04 -0.02 -0.02 -0.04 1.41 1.29 2byzC1 PRO 357 HA 0.04 0.19 0.25 -0.51 4.44 4.41 2byzC1 PRO 357 HB2 0.02 0.11 -0.42 -0.04 2.28 1.95 2byzC1 PRO 357 HB3 0.03 -0.13 -0.53 -0.04 2.02 1.35 2byzC1 PRO 357 HG2 0.01 -0.06 -0.02 -0.04 2.03 1.92 2byzC1 PRO 357 HG3 0.01 0.08 -0.08 -0.04 2.03 2.00 2byzC1 PRO 357 HD2 0.05 0.27 0.23 -0.04 3.68 4.20 2byzC1 PRO 357 HD3 0.07 0.14 0.12 -0.04 3.65 3.93 2byzC1 SER 358 H 0.05 0.74 0.31 -0.55 8.46 9.02 2byzC1 SER 358 HA 0.05 0.02 0.63 -0.75 4.49 4.44 2byzC1 SER 358 HB2 0.11 0.15 0.22 -0.04 3.95 4.38 2byzC1 SER 358 HB3 0.11 0.05 0.13 -0.04 3.93 4.19 2byzC1 ILE 359 H 0.01 0.12 -0.05 -0.55 8.25 7.79 2byzC1 ILE 359 HA 0.02 0.19 0.56 -0.75 4.18 4.19 2byzC1 ILE 359 HB -0.00 -0.09 0.13 -0.04 1.89 1.89 2byzC1 ILE 359 HG12 -0.01 -0.14 -0.20 -0.04 1.49 1.11 2byzC1 ILE 359 HG13 -0.01 0.06 -0.36 -0.04 1.21 0.86 2byzC1 ILE 359 HG23 -0.00 0.08 -0.10 -0.04 0.93 0.87 2byzC1 ILE 359 HD13 -0.01 0.07 -0.12 -0.04 0.88 0.78 2byzC1 ASN 360 H -0.00 0.16 0.12 -0.55 8.53 8.26 2byzC1 ASN 360 HA -0.02 0.01 0.28 -0.75 4.76 4.28 2byzC1 ASN 360 HB2 -0.04 0.15 -0.04 -0.04 2.88 2.91 2byzC1 ASN 360 HB3 -0.07 -0.05 0.19 -0.04 2.79 2.82 2byzC1 ASN 360 HD21 -0.03 0.45 0.26 -0.04 7.03 7.67 2byzC1 ASN 360 HD22 -0.05 0.58 0.08 -0.04 7.74 8.31 2byzC1 ILE 361 H 0.02 0.18 -0.35 -0.55 8.25 7.56 2byzC1 ILE 361 HA 0.04 0.07 0.69 -0.75 4.18 4.23 2byzC1 ILE 361 HB 0.05 0.06 0.07 -0.04 1.89 2.02 2byzC1 ILE 361 HG12 0.10 0.03 -0.28 -0.04 1.49 1.31 2byzC1 ILE 361 HG13 0.07 0.16 -0.37 -0.04 1.21 1.02 2byzC1 ILE 361 HG23 0.07 -0.02 -0.28 -0.04 0.93 0.66 2byzC1 ILE 361 HD13 0.16 -0.02 -0.10 -0.04 0.88 0.88 2byzC1 GLU 362 H 0.02 0.24 -0.02 -0.55 8.60 8.30 2byzC1 GLU 362 HA 0.01 0.16 0.54 -0.75 4.29 4.25 2byzC1 GLU 362 HB2 -0.00 -0.05 0.04 -0.04 2.09 2.04 2byzC1 GLU 362 HB3 -0.01 0.02 0.01 -0.04 1.99 1.96 2byzC1 GLU 362 HG2 -0.01 0.03 -0.08 -0.04 2.34 2.24 2byzC1 GLU 362 HG3 -0.01 0.03 -0.14 -0.04 2.34 2.18 2byzC1 GLU 363 H 0.07 0.03 -0.09 -0.55 8.60 8.06 2byzC1 GLU 363 HA 0.06 0.21 0.69 -0.75 4.29 4.49 2byzC1 GLU 363 HB2 0.09 0.10 -0.10 -0.04 2.09 2.14 2byzC1 GLU 363 HB3 0.19 -0.16 0.10 -0.04 1.99 2.08 2byzC1 GLU 363 HG2 0.09 0.02 -0.26 -0.04 2.34 2.15 2byzC1 GLU 363 HG3 0.07 0.08 -0.01 -0.04 2.34 2.44 2byzC1 LEU 364 H 0.05 0.21 -0.03 -0.55 8.37 8.05 2byzC1 LEU 364 HA 0.07 0.10 0.41 -0.75 4.35 4.18 2byzC1 LEU 364 HB2 0.03 0.04 0.05 -0.04 1.64 1.72 2byzC1 LEU 364 HB3 0.03 -0.01 0.02 -0.04 1.64 1.63 2byzC1 LEU 364 HG 0.01 0.11 -0.19 -0.04 1.64 1.52 2byzC1 LEU 364 HD13 0.02 0.01 0.01 -0.04 0.93 0.93 2byzC1 LEU 364 HD23 -0.02 0.04 -0.07 -0.04 0.89 0.80 2byzC1 ASP 365 H 0.09 0.54 0.30 -0.55 8.40 8.78 2byzC1 ASP 365 HA 0.05 0.04 0.42 -0.75 4.63 4.39 2byzC1 ASP 365 HB2 0.10 0.15 -0.02 -0.04 2.71 2.90 2byzC1 ASP 365 HB3 0.08 -0.08 -0.01 -0.04 2.70 2.65 2byzC1 GLU 366 H 0.03 0.15 0.19 -0.55 8.60 8.42 2byzC1 GLU 366 HA 0.02 0.16 0.37 -0.75 4.29 4.09 2byzC1 GLU 366 HB2 0.01 0.04 0.09 -0.04 2.09 2.19 2byzC1 GLU 366 HB3 0.02 0.06 0.15 -0.04 1.99 2.17 2byzC1 GLU 366 HG2 0.02 -0.07 0.11 -0.04 2.34 2.36 2byzC1 GLU 366 HG3 0.02 0.02 -0.15 -0.04 2.34 2.19 2byzC1 GLN 367 H 0.03 0.04 -0.31 -0.55 8.47 7.68 2byzC1 GLN 367 HA 0.01 0.17 0.50 -0.75 4.36 4.29 2byzC1 GLN 367 HB2 0.04 -0.04 -0.00 -0.04 2.15 2.10 2byzC1 GLN 367 HB3 0.03 0.04 0.13 -0.04 2.02 2.18 2byzC1 GLN 367 HG2 0.02 0.07 -0.05 -0.04 2.40 2.39 2byzC1 GLN 367 HG3 0.02 -0.06 -0.00 -0.04 2.39 2.31 2byzC1 GLN 367 HE21 0.03 -0.00 -0.01 -0.04 6.97 6.94 2byzC1 GLN 367 HE22 0.03 -0.01 -0.00 -0.04 7.69 7.67 2byzC1 ALA 368 H 0.00 0.51 -0.65 -0.55 8.40 7.72 2byzC1 ALA 368 HA -0.07 0.17 0.73 -0.75 4.34 4.42 2byzC1 ALA 368 HB3 -0.11 0.01 -0.02 -0.04 1.41 1.24 2byzC1 ALA 369 H -0.01 0.29 -0.19 -0.55 8.40 7.95 2byzC1 ALA 369 HA -0.02 0.07 0.36 -0.75 4.34 3.99 2byzC1 ALA 369 HB3 -0.00 -0.00 0.10 -0.04 1.41 1.47 2byzC1 GLY 370 H -0.02 0.07 -0.22 -0.55 8.43 7.72 2byzC1 GLY 370 HA2 -0.01 0.14 0.53 -0.51 4.01 4.16 2byzC1 GLY 370 HA3 -0.01 -0.02 0.32 -0.51 4.01 3.80 2byzC1 LEU 371 H -0.04 0.56 -0.35 -0.55 8.37 7.99 2byzC1 LEU 371 HA -0.05 0.14 0.59 -0.75 4.35 4.27 2byzC1 LEU 371 HB2 -0.11 0.08 -0.16 -0.04 1.64 1.41 2byzC1 LEU 371 HB3 -0.11 -0.03 -0.13 -0.04 1.64 1.33 2byzC1 LEU 371 HG -0.05 -0.07 -0.81 -0.04 1.64 0.68 2byzC1 LEU 371 HD13 -0.09 -0.03 -0.11 -0.04 0.93 0.65 2byzC1 LEU 371 HD23 -0.05 0.03 -0.01 -0.04 0.89 0.83 2byzC1 ASN 372 H -0.07 0.26 -0.03 -0.55 8.53 8.15 2byzC1 ASN 372 HA -0.03 0.17 0.76 -0.75 4.76 4.91 2byzC1 ASN 372 HB2 -0.03 0.04 -0.01 -0.04 2.88 2.84 2byzC1 ASN 372 HB3 -0.04 0.06 0.08 -0.04 2.79 2.85 2byzC1 ASN 372 HD21 0.00 0.01 -0.01 -0.04 7.03 6.99 2byzC1 ASN 372 HD22 -0.01 0.04 0.02 -0.04 7.74 7.74 2byzC1 ILE 373 H -0.06 0.35 -0.01 -0.55 8.25 7.98 2byzC1 ILE 373 HA -0.05 0.17 0.71 -0.75 4.18 4.25 2byzC1 ILE 373 HB -0.05 0.00 0.14 -0.04 1.89 1.94 2byzC1 ILE 373 HG12 -0.14 0.15 -0.12 -0.04 1.49 1.34 2byzC1 ILE 373 HG13 -0.26 -0.06 -0.04 -0.04 1.21 0.81 2byzC1 ILE 373 HG23 0.01 -0.01 -0.14 -0.04 0.93 0.74 2byzC1 ILE 373 HD13 -0.38 -0.02 -0.20 -0.04 0.88 0.25 2byzC1 VAL 374 H 0.03 0.58 0.32 -0.55 8.24 8.63 2byzC1 VAL 374 HA 0.02 0.01 0.48 -0.75 4.13 3.88 2byzC1 VAL 374 HB 0.07 0.03 0.06 -0.04 2.12 2.24 2byzC1 VAL 374 HG13 0.02 -0.04 -0.18 -0.04 0.97 0.73 2byzC1 VAL 374 HG23 0.04 0.01 0.01 -0.04 0.95 0.97 2byzC1 THR 375 H 0.02 0.16 0.23 -0.55 8.28 8.15 2byzC1 THR 375 HA 0.04 0.10 0.94 -0.75 4.39 4.71 2byzC1 THR 375 HB 0.02 -0.03 0.16 -0.04 4.32 4.43 2byzC1 THR 375 HG23 0.03 0.10 -0.06 -0.04 1.22 1.25 2byzC1 GLU 376 H 0.02 0.17 -0.03 -0.55 8.60 8.22 2byzC1 GLU 376 HA 0.01 0.15 0.74 -0.75 4.29 4.44 2byzC1 GLU 376 HB2 0.01 0.09 -0.00 -0.04 2.09 2.15 2byzC1 GLU 376 HB3 0.01 0.03 -0.08 -0.04 1.99 1.91 2byzC1 GLU 376 HG2 0.01 -0.14 -0.02 -0.04 2.34 2.15 2byzC1 GLU 376 HG3 0.01 0.05 -0.08 -0.04 2.34 2.28 2byzC1 THR 377 H 0.02 0.14 0.08 -0.55 8.28 7.97 2byzC1 THR 377 HA 0.08 0.22 0.43 -0.75 4.39 4.35 2byzC1 THR 377 HB -0.00 -0.08 0.16 -0.04 4.32 4.36 2byzC1 THR 377 HG23 0.03 -0.02 -0.12 -0.04 1.22 1.07 2byzC1 THR 378 H 0.08 0.39 0.28 -0.55 8.28 8.48 2byzC1 THR 378 HA 0.03 0.15 1.01 -0.75 4.39 4.83 2byzC1 THR 378 HB 0.02 -0.08 0.10 -0.04 4.32 4.32 2byzC1 THR 378 HG23 0.02 0.03 -0.13 -0.04 1.22 1.10 2byzC1 ASP 379 H 0.04 0.13 0.14 -0.55 8.40 8.16 2byzC1 ASP 379 HA 0.12 0.18 0.76 -0.75 4.63 4.94 2byzC1 ASP 379 HB2 0.03 -0.08 0.18 -0.04 2.71 2.79 2byzC1 ASP 379 HB3 0.04 0.09 0.07 -0.04 2.70 2.86 2byzC1 ARG 380 H 0.07 0.59 0.00 -0.55 8.46 8.58 2byzC1 ARG 380 HA 0.02 0.03 0.50 -0.75 4.34 4.14 2byzC1 ARG 380 HB2 0.01 0.03 -0.49 -0.04 1.90 1.42 2byzC1 ARG 380 HB3 -0.00 -0.03 -0.26 -0.04 1.80 1.46 2byzC1 ARG 380 HG2 0.01 0.03 -0.17 -0.04 1.67 1.50 2byzC1 ARG 380 HG3 0.01 -0.08 0.08 -0.04 1.67 1.64 2byzC1 ARG 380 HD2 0.01 -0.03 -0.00 -0.04 3.22 3.16 2byzC1 ARG 380 HD3 0.01 0.04 -0.08 -0.04 3.22 3.15 2byzC1 GLU 381 H 0.02 0.12 0.07 -0.55 8.60 8.26 2byzC1 GLU 381 HA 0.02 0.13 0.61 -0.75 4.29 4.30 2byzC1 GLU 381 HB2 0.01 -0.02 0.15 -0.04 2.09 2.19 2byzC1 GLU 381 HB3 0.01 0.08 0.07 -0.04 1.99 2.11 2byzC1 GLU 381 HG2 0.02 -0.06 0.12 -0.04 2.34 2.37 2byzC1 GLU 381 HG3 0.01 0.00 0.05 -0.04 2.34 2.36 2byzC1 LEU 382 H 0.01 0.24 0.24 -0.55 8.37 8.31 2byzC1 LEU 382 HA 0.01 0.09 0.71 -0.75 4.35 4.41 2byzC1 LEU 382 HB2 -0.01 0.07 0.02 -0.04 1.64 1.68 2byzC1 LEU 382 HB3 0.02 -0.09 -0.07 -0.04 1.64 1.45 2byzC1 LEU 382 HG -0.04 0.15 -0.20 -0.04 1.64 1.51 2byzC1 LEU 382 HD13 -0.14 -0.00 -0.25 -0.04 0.93 0.49 2byzC1 LEU 382 HD23 0.01 -0.01 -0.27 -0.04 0.89 0.58 2byzC1 THR 383 H 0.02 -0.02 0.22 -0.55 8.28 7.95 2byzC1 THR 383 HA 0.01 0.26 1.04 -0.75 4.39 4.94 2byzC1 THR 383 HB 0.01 -0.01 0.14 -0.04 4.32 4.42 2byzC1 THR 383 HG23 0.01 0.00 -0.04 -0.04 1.22 1.15 2byzC1 THR 384 H 0.02 0.05 0.30 -0.55 8.28 8.11 2byzC1 THR 384 HA 0.02 0.34 1.16 -0.75 4.39 5.16 2byzC1 THR 384 HB 0.03 0.13 0.11 -0.04 4.32 4.55 2byzC1 THR 384 HG23 0.03 0.01 -0.19 -0.04 1.22 1.03 2byzC1 VAL 385 H 0.03 0.82 0.43 -0.55 8.24 8.97 2byzC1 VAL 385 HA 0.04 0.16 1.13 -0.75 4.13 4.71 2byzC1 VAL 385 HB 0.14 0.00 0.07 -0.04 2.12 2.29 2byzC1 VAL 385 HG13 0.11 -0.01 -0.20 -0.04 0.97 0.82 2byzC1 VAL 385 HG23 0.04 0.02 -0.10 -0.04 0.95 0.87 2byzC1 MET 386 H -0.07 0.65 0.49 -0.55 8.47 8.99 2byzC1 MET 386 HA -0.00 0.37 1.17 -0.75 4.52 5.30 2byzC1 MET 386 HB2 0.05 0.06 -0.08 -0.04 2.15 2.14 2byzC1 MET 386 HB3 -0.02 -0.02 0.08 -0.04 2.03 2.03 2byzC1 MET 386 HG2 -0.00 -0.12 -0.33 -0.04 2.63 2.14 2byzC1 MET 386 HG3 0.03 0.06 -0.08 -0.04 2.56 2.53 2byzC1 MET 386 HE3 0.10 0.03 -0.15 -0.04 2.10 2.04 2byzC1 SER 387 H -0.03 0.62 0.34 -0.55 8.46 8.84 2byzC1 SER 387 HA -0.10 0.26 0.99 -0.75 4.49 4.88 2byzC1 SER 387 HB2 -0.04 0.03 -0.14 -0.04 3.95 3.76 2byzC1 SER 387 HB3 -0.06 -0.05 0.08 -0.04 3.93 3.85 2byzC1 ASN 388 H -0.14 0.50 0.21 -0.55 8.53 8.55 2byzC1 ASN 388 HA -0.23 0.27 1.07 -0.75 4.76 5.11 2byzC1 ASN 388 HB2 -0.22 -0.15 0.07 -0.04 2.88 2.53 2byzC1 ASN 388 HB3 -0.75 -0.07 -0.04 -0.04 2.79 1.89 2byzC1 ASN 388 HD21 0.13 0.11 -0.13 -0.04 7.03 7.09 2byzC1 ASN 388 HD22 0.09 -0.14 -0.08 -0.04 7.74 7.57 2byzC1 SER 389 H -0.54 0.79 0.36 -0.55 8.46 8.52 2byzC1 SER 389 HA -0.39 0.09 0.82 -0.75 4.49 4.25 2byzC1 SER 389 HB2 -0.24 -0.01 0.08 -0.04 3.95 3.74 2byzC1 SER 389 HB3 -0.18 0.05 0.03 -0.04 3.93 3.79 2byzC1 PHE 390 H -0.17 0.22 0.12 -0.55 8.34 7.95 2byzC1 PHE 390 HA 0.01 0.37 1.00 -0.75 4.62 5.25 2byzC1 PHE 390 HB2 0.02 -0.08 -0.01 -0.04 3.15 3.04 2byzC1 PHE 390 HB3 0.04 0.02 0.00 -0.04 3.06 3.09 2byzC1 PHE 390 HD2 0.01 0.02 -0.01 -0.04 7.28 7.27 2byzC1 PHE 390 HE2 0.01 0.02 -0.09 -0.04 7.38 7.28 2byzC1 PHE 390 HZ 0.02 0.12 -0.09 -0.04 7.32 7.33 2byzC1 GLY 391 H 0.20 0.68 0.25 -0.55 8.43 9.01 2byzC1 GLY 391 HA2 -0.01 0.10 0.88 -0.51 4.01 4.47 2byzC1 GLY 391 HA3 0.06 -0.01 0.39 -0.51 4.01 3.93 2byzC1 PHE 392 H -0.07 0.01 0.21 -0.55 8.34 7.93 2byzC1 PHE 392 HA 0.08 0.05 0.47 -0.75 4.62 4.46 2byzC1 PHE 392 HB2 0.08 -0.08 0.14 -0.04 3.15 3.25 2byzC1 PHE 392 HB3 0.06 0.22 0.19 -0.04 3.06 3.48 2byzC1 PHE 392 HD2 0.09 -0.01 0.05 -0.04 7.28 7.37 2byzC1 PHE 392 HE2 0.15 0.05 0.06 -0.04 7.38 7.60 2byzC1 PHE 392 HZ 0.32 0.02 0.05 -0.04 7.32 7.67 2byzC1 GLY 393 H 0.16 0.61 0.30 -0.55 8.43 8.95 2byzC1 GLY 393 HA2 0.07 0.04 0.39 -0.51 4.01 4.00 2byzC1 GLY 393 HA3 0.11 0.15 0.70 -0.51 4.01 4.46 2byzC1 GLY 394 H 0.14 0.12 -0.07 -0.55 8.43 8.07 2byzC1 GLY 394 HA2 0.07 -0.02 0.27 -0.51 4.01 3.81 2byzC1 GLY 394 HA3 0.05 -0.11 0.47 -0.51 4.01 3.91 2byzC1 THR 395 H 0.14 0.27 -0.31 -0.55 8.28 7.83 2byzC1 THR 395 HA 0.13 0.27 0.82 -0.75 4.39 4.85 2byzC1 THR 395 HB 0.12 0.07 -0.06 -0.04 4.32 4.40 2byzC1 THR 395 HG23 0.17 -0.01 -0.09 -0.04 1.22 1.24 2byzC1 ASN 396 H 0.19 0.69 0.30 -0.55 8.53 9.17 2byzC1 ASN 396 HA 0.39 0.19 1.08 -0.75 4.76 5.67 2byzC1 ASN 396 HB2 0.15 -0.06 -0.09 -0.04 2.88 2.84 2byzC1 ASN 396 HB3 0.38 0.04 -0.14 -0.04 2.79 3.02 2byzC1 ASN 396 HD21 -0.01 -0.17 -0.36 -0.04 7.03 6.45 2byzC1 ASN 396 HD22 0.05 0.07 -0.53 -0.04 7.74 7.28 2byzC1 ALA 397 H -0.00 0.65 0.36 -0.55 8.40 8.86 2byzC1 ALA 397 HA 0.00 0.45 0.93 -0.75 4.34 4.97 2byzC1 ALA 397 HB3 -0.52 -0.02 -0.06 -0.04 1.41 0.77 2byzC1 THR 398 H 0.04 0.63 0.31 -0.55 8.28 8.72 2byzC1 THR 398 HA -0.06 0.23 0.97 -0.75 4.39 4.78 2byzC1 THR 398 HB 0.03 0.01 -0.06 -0.04 4.32 4.26 2byzC1 THR 398 HG23 0.03 0.02 -0.27 -0.04 1.22 0.96 2byzC1 LEU 399 H -0.02 0.57 0.33 -0.55 8.37 8.71 2byzC1 LEU 399 HA 0.08 0.34 1.11 -0.75 4.35 5.13 2byzC1 LEU 399 HB2 -0.03 -0.05 0.12 -0.04 1.64 1.64 2byzC1 LEU 399 HB3 -0.01 0.06 -0.01 -0.04 1.64 1.64 2byzC1 LEU 399 HG -0.01 -0.12 -0.26 -0.04 1.64 1.22 2byzC1 LEU 399 HD13 -0.08 -0.01 -0.06 -0.04 0.93 0.74 2byzC1 LEU 399 HD23 -0.03 0.04 0.02 -0.04 0.89 0.89 2byzC1 VAL 400 H 0.05 0.71 0.34 -0.55 8.24 8.79 2byzC1 VAL 400 HA 0.02 0.28 1.17 -0.75 4.13 4.85 2byzC1 VAL 400 HB 0.04 -0.00 0.11 -0.04 2.12 2.23 2byzC1 VAL 400 HG13 0.04 0.01 -0.19 -0.04 0.97 0.79 2byzC1 VAL 400 HG23 0.05 -0.02 -0.32 -0.04 0.95 0.61 2byzC1 MET 401 H 0.02 0.68 0.36 -0.55 8.47 8.98 2byzC1 MET 401 HA 0.01 0.30 1.12 -0.75 4.52 5.19 2byzC1 MET 401 HB2 0.01 -0.03 0.01 -0.04 2.15 2.09 2byzC1 MET 401 HB3 -0.00 0.03 -0.10 -0.04 2.03 1.91 2byzC1 MET 401 HG2 -0.02 0.02 -0.22 -0.04 2.63 2.38 2byzC1 MET 401 HG3 -0.01 -0.13 -0.53 -0.04 2.56 1.85 2byzC1 MET 401 HE3 -0.02 -0.01 -0.17 -0.04 2.10 1.86 2byzC1 ARG 402 H 0.01 0.63 0.42 -0.55 8.46 8.96 2byzC1 ARG 402 HA 0.01 0.31 1.16 -0.75 4.34 5.08 2byzC1 ARG 402 HB2 0.01 -0.09 -0.08 -0.04 1.90 1.70 2byzC1 ARG 402 HB3 0.01 -0.04 0.09 -0.04 1.80 1.82 2byzC1 ARG 402 HG2 0.00 0.31 -0.05 -0.04 1.67 1.90 2byzC1 ARG 402 HG3 0.01 0.08 0.02 -0.04 1.67 1.74 2byzC1 ARG 402 HD2 0.01 -0.01 -0.05 -0.04 3.22 3.12 2byzC1 ARG 402 HD3 0.01 -0.07 -0.07 -0.04 3.22 3.06 2byzC1 LYS 403 H 0.01 0.53 0.34 -0.55 8.42 8.74 2byzC1 LYS 403 HA -0.01 0.07 0.54 -0.75 4.32 4.18 2byzC1 LYS 403 HB2 0.00 -0.05 0.19 -0.04 1.87 1.97 2byzC1 LYS 403 HB3 -0.01 0.11 0.02 -0.04 1.79 1.87 2byzC1 LYS 403 HG2 -0.00 0.09 0.12 -0.04 1.46 1.62 2byzC1 LYS 403 HG3 0.01 -0.06 0.10 -0.04 1.46 1.47 2byzC1 LYS 403 HD2 0.00 0.03 0.18 -0.04 1.69 1.86 2byzC1 LYS 403 HD3 -0.00 -0.03 0.07 -0.04 1.68 1.67 2byzC1 LYS 403 HE2 0.01 0.08 0.10 -0.04 2.99 3.14 2byzC1 LYS 403 HE3 0.00 -0.09 0.11 -0.04 2.99 2.97 2byzC1 LEU 404 H -0.03 0.17 0.15 -0.55 8.37 8.11 2byzC1 LEU 404 HA -0.01 0.01 0.62 -0.75 4.35 4.21 2byzC1 LEU 404 HB2 -0.03 -0.11 0.02 -0.04 1.64 1.47 2byzC1 LEU 404 HB3 -0.04 0.07 0.08 -0.04 1.64 1.71 2byzC1 LEU 404 HG -0.02 0.24 -0.13 -0.04 1.64 1.69 2byzC1 LEU 404 HD13 -0.01 -0.04 -0.01 -0.04 0.93 0.83 2byzC1 LEU 404 HD23 -0.03 -0.03 -0.07 -0.04 0.89 0.72 2byzC1 LYS 405 H -0.01 -0.02 0.07 -0.55 8.42 7.91 2byzC1 LYS 405 HA -0.01 0.01 0.20 -0.75 4.32 3.77 2byzC1 LYS 405 HB2 -0.01 0.08 0.06 -0.04 1.87 1.97 2byzC1 LYS 405 HB3 -0.00 -0.07 0.05 -0.04 1.79 1.72 2byzC1 LYS 405 HG2 -0.01 -0.04 0.04 -0.04 1.46 1.41 2byzC1 LYS 405 HG3 -0.01 -0.05 0.11 -0.04 1.46 1.47 2byzC1 LYS 405 HD2 -0.01 -0.02 -0.02 -0.04 1.69 1.60 2byzC1 LYS 405 HD3 -0.01 0.04 0.01 -0.04 1.68 1.68 2byzC1 LYS 405 HE2 -0.01 -0.04 0.02 -0.04 2.99 2.93 2byzC1 LYS 405 HE3 -0.01 -0.03 -0.01 -0.04 2.99 2.91