============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 33.335 14.387 10.673 -99.200 -91.000 PHE 8 1.000 29.733 5.650 11.941 -99.200 -91.000 TYR 10 0.840 24.123 4.214 2.154 -99.200 -91.000 PHE 11 1.000 25.000 4.179 11.464 -99.200 -91.000 TYR 12 0.840 19.212 6.766 11.829 -99.200 -91.000 PHE 33 1.000 5.977 4.828 8.417 -99.200 -91.000 PHE 37 1.000 -1.694 12.138 7.580 -99.200 -91.000 TYR 48 0.840 24.679 9.104 -0.920 -99.200 -91.000 PHE 53 1.000 15.617 8.617 -9.319 -99.200 -91.000 TYR 73 0.840 8.551 4.834 0.726 -99.200 -91.000 TYR 81 0.840 18.518 2.437 12.215 -99.200 -91.000 TYR 95 0.840 42.267 2.341 13.763 -99.200 -91.000 TYR 108 0.840 34.615 16.405 14.635 -99.200 -91.000 TYR 118 0.840 47.362 17.451 6.685 -99.200 -91.000 TYR 122 0.840 44.647 9.129 1.164 -99.200 -91.000 PHE 150 1.000 38.771 25.132 6.962 -99.200 -91.000 PHE 210 1.000 33.543 41.200 16.983 -99.200 -91.000 TYR 224 0.840 32.336 28.392 13.912 -99.200 -91.000 TYR 233 0.840 37.433 25.798 15.252 -99.200 -91.000 TYR 264 0.840 -1.351 11.354 22.706 -99.200 -91.000 PHE 266 1.000 0.750 11.220 33.316 -99.200 -91.000 TYR 273 0.840 12.285 9.007 35.210 -99.200 -91.000 TYR 274 0.840 14.384 1.264 27.625 -99.200 -91.000 HIS 285 0.900 13.970 22.489 31.088 -99.200 -91.000 PHE 302 1.000 11.819 19.031 41.426 -99.200 -91.000 HIS 304 0.900 14.635 16.451 45.325 -99.200 -91.000 TYR 312 0.840 4.136 9.034 35.370 -99.200 -91.000 PHE 337 1.000 12.730 13.449 32.868 -99.200 -91.000 PHE 340 1.000 21.302 13.413 32.552 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1s10A1 MET 1 HA 0.02 -0.13 0.22 -0.75 4.52 3.88 1s10A1 MET 1 HB2 0.02 -0.02 0.06 -0.04 2.15 2.18 1s10A1 MET 1 HB3 0.05 0.18 0.09 -0.04 2.03 2.31 1s10A1 MET 1 HG2 0.07 -0.02 -0.35 -0.04 2.63 2.28 1s10A1 MET 1 HG3 0.04 -0.10 0.00 -0.04 2.56 2.46 1s10A1 MET 1 HE3 0.06 0.06 0.09 -0.04 2.10 2.27 1s10A1 ILE 2 H 0.04 0.04 0.09 -0.55 8.25 7.88 1s10A1 ILE 2 HA 0.13 0.27 0.88 -0.75 4.18 4.71 1s10A1 ILE 2 HB 0.04 -0.06 -0.07 -0.04 1.89 1.75 1s10A1 ILE 2 HG12 -0.19 -0.01 -0.11 -0.04 1.49 1.14 1s10A1 ILE 2 HG13 -0.08 0.07 -0.37 -0.04 1.21 0.78 1s10A1 ILE 2 HG23 0.17 -0.02 -0.26 -0.04 0.93 0.77 1s10A1 ILE 2 HD13 -0.14 0.02 -0.29 -0.04 0.88 0.42 1s10A1 VAL 3 H 0.18 0.72 0.19 -0.55 8.24 8.78 1s10A1 VAL 3 HA 0.14 0.24 1.10 -0.75 4.13 4.86 1s10A1 VAL 3 HB 0.17 -0.02 -0.22 -0.04 2.12 2.02 1s10A1 VAL 3 HG13 0.26 -0.01 -0.31 -0.04 0.97 0.86 1s10A1 VAL 3 HG23 0.11 -0.01 -0.36 -0.04 0.95 0.65 1s10A1 LEU 4 H 0.15 0.76 0.35 -0.55 8.37 9.08 1s10A1 LEU 4 HA 0.13 0.20 0.98 -0.75 4.35 4.91 1s10A1 LEU 4 HB2 0.08 -0.06 -0.05 -0.04 1.64 1.58 1s10A1 LEU 4 HB3 0.07 -0.01 0.13 -0.04 1.64 1.80 1s10A1 LEU 4 HG 0.02 0.01 -0.07 -0.04 1.64 1.57 1s10A1 LEU 4 HD13 -0.02 -0.01 -0.14 -0.04 0.93 0.72 1s10A1 LEU 4 HD23 -0.03 0.01 -0.30 -0.04 0.89 0.53 1s10A1 PHE 5 H 0.20 0.84 0.37 -0.55 8.34 9.19 1s10A1 PHE 5 HA -0.13 0.23 1.05 -0.75 4.62 5.02 1s10A1 PHE 5 HB2 0.00 -0.09 -0.10 -0.04 3.15 2.92 1s10A1 PHE 5 HB3 -0.03 0.09 0.04 -0.04 3.06 3.11 1s10A1 PHE 5 HD2 -0.65 0.02 -0.17 -0.04 7.28 6.44 1s10A1 PHE 5 HE2 -0.40 -0.02 -0.14 -0.04 7.38 6.78 1s10A1 PHE 5 HZ -0.21 -0.03 -0.11 -0.04 7.32 6.93 1s10A1 VAL 6 H -0.57 0.66 0.39 -0.55 8.24 8.17 1s10A1 VAL 6 HA -0.33 0.32 1.07 -0.75 4.13 4.43 1s10A1 VAL 6 HB -0.20 -0.07 0.10 -0.04 2.12 1.92 1s10A1 VAL 6 HG13 0.01 0.00 -0.19 -0.04 0.97 0.75 1s10A1 VAL 6 HG23 -0.09 0.02 -0.21 -0.04 0.95 0.63 1s10A1 ASP 7 H -0.35 0.63 0.28 -0.55 8.40 8.41 1s10A1 ASP 7 HA -0.62 0.26 0.98 -0.75 4.63 4.49 1s10A1 ASP 7 HB2 -0.64 -0.03 -0.13 -0.04 2.71 1.87 1s10A1 ASP 7 HB3 -0.19 -0.02 0.11 -0.04 2.70 2.55 1s10A1 PHE 8 H -0.66 0.56 0.26 -0.55 8.34 7.94 1s10A1 PHE 8 HA -0.15 0.03 0.54 -0.75 4.62 4.28 1s10A1 PHE 8 HB2 -0.42 -0.13 0.09 -0.04 3.15 2.65 1s10A1 PHE 8 HB3 -0.18 0.10 0.04 -0.04 3.06 2.98 1s10A1 PHE 8 HD2 -1.19 -0.08 -0.08 -0.04 7.28 5.89 1s10A1 PHE 8 HE2 -0.33 0.05 -0.06 -0.04 7.38 7.00 1s10A1 PHE 8 HZ -0.18 0.01 -0.17 -0.04 7.32 6.94 1s10A1 ASP 9 H 0.06 0.49 0.36 -0.55 8.40 8.76 1s10A1 ASP 9 HA 0.18 0.05 0.45 -0.75 4.63 4.55 1s10A1 ASP 9 HB2 0.01 0.11 0.09 -0.04 2.71 2.88 1s10A1 ASP 9 HB3 0.42 -0.02 0.03 -0.04 2.70 3.08 1s10A1 TYR 10 H 0.42 0.17 0.17 -0.55 8.29 8.51 1s10A1 TYR 10 HA 0.04 0.04 0.31 -0.75 4.56 4.19 1s10A1 TYR 10 HB2 0.02 -0.06 0.07 -0.04 3.06 3.05 1s10A1 TYR 10 HB3 0.10 0.09 0.14 -0.04 2.98 3.27 1s10A1 TYR 10 HD2 0.15 -0.09 -0.12 -0.04 7.15 7.05 1s10A1 TYR 10 HE2 0.04 0.07 -0.07 -0.04 6.85 6.85 1s10A1 PHE 11 H 0.19 0.17 -0.43 -0.55 8.34 7.72 1s10A1 PHE 11 HA -0.11 0.23 0.14 -0.75 4.62 4.13 1s10A1 PHE 11 HB2 0.08 0.11 -0.02 -0.04 3.15 3.28 1s10A1 PHE 11 HB3 0.03 -0.12 0.03 -0.04 3.06 2.96 1s10A1 PHE 11 HD2 0.18 -0.02 -0.09 -0.04 7.28 7.30 1s10A1 PHE 11 HE2 0.08 0.06 -0.07 -0.04 7.38 7.41 1s10A1 PHE 11 HZ 0.11 0.03 -0.08 -0.04 7.32 7.33 1s10A1 TYR 12 H -0.08 0.10 -0.06 -0.55 8.29 7.70 1s10A1 TYR 12 HA -1.29 0.07 0.38 -0.75 4.56 2.97 1s10A1 TYR 12 HB2 -0.25 -0.03 -0.00 -0.04 3.06 2.73 1s10A1 TYR 12 HB3 -0.65 0.01 -0.06 -0.04 2.98 2.24 1s10A1 TYR 12 HD2 -0.20 -0.04 -0.09 -0.04 7.15 6.78 1s10A1 TYR 12 HE2 0.21 0.03 -0.06 -0.04 6.85 6.99 1s10A1 ALA 13 H -0.02 0.10 -0.23 -0.55 8.40 7.71 1s10A1 ALA 13 HA -0.01 0.05 0.36 -0.75 4.34 3.99 1s10A1 ALA 13 HB3 0.18 0.02 -0.05 -0.04 1.41 1.52 1s10A1 GLN 14 H -0.20 0.60 -0.15 -0.55 8.47 8.17 1s10A1 GLN 14 HA -0.07 0.00 0.41 -0.75 4.36 3.95 1s10A1 GLN 14 HB2 -1.14 0.08 -0.03 -0.04 2.15 1.02 1s10A1 GLN 14 HB3 -0.29 0.07 0.01 -0.04 2.02 1.76 1s10A1 GLN 14 HG2 -0.16 0.05 0.02 -0.04 2.40 2.26 1s10A1 GLN 14 HG3 -0.36 -0.07 0.05 -0.04 2.39 1.97 1s10A1 GLN 14 HE21 -0.13 0.21 0.19 -0.04 6.97 7.19 1s10A1 GLN 14 HE22 -0.40 0.35 0.02 -0.04 7.69 7.63 1s10A1 VAL 15 H -0.32 0.53 -0.09 -0.55 8.24 7.81 1s10A1 VAL 15 HA -0.10 0.11 0.42 -0.75 4.13 3.80 1s10A1 VAL 15 HB -0.33 0.04 0.11 -0.04 2.12 1.91 1s10A1 VAL 15 HG13 0.05 -0.01 -0.14 -0.04 0.97 0.83 1s10A1 VAL 15 HG23 -0.54 0.03 0.01 -0.04 0.95 0.40 1s10A1 GLU 16 H -0.08 0.35 -0.29 -0.55 8.60 8.03 1s10A1 GLU 16 HA 0.04 0.02 0.38 -0.75 4.29 3.99 1s10A1 GLU 16 HB2 0.02 0.14 0.10 -0.04 2.09 2.30 1s10A1 GLU 16 HB3 0.04 -0.01 -0.02 -0.04 1.99 1.97 1s10A1 GLU 16 HG2 0.05 0.15 0.04 -0.04 2.34 2.53 1s10A1 GLU 16 HG3 0.08 -0.07 -0.07 -0.04 2.34 2.24 1s10A1 GLU 17 H 0.01 0.37 -0.23 -0.55 8.60 8.21 1s10A1 GLU 17 HA 0.03 0.08 0.33 -0.75 4.29 3.98 1s10A1 GLU 17 HB2 0.05 0.17 0.16 -0.04 2.09 2.42 1s10A1 GLU 17 HB3 0.06 -0.05 -0.01 -0.04 1.99 1.95 1s10A1 GLU 17 HG2 0.08 -0.02 -0.10 -0.04 2.34 2.27 1s10A1 GLU 17 HG3 0.12 0.29 0.04 -0.04 2.34 2.75 1s10A1 VAL 18 H -0.01 0.46 -0.19 -0.55 8.24 7.94 1s10A1 VAL 18 HA 0.00 0.03 0.41 -0.75 4.13 3.82 1s10A1 VAL 18 HB -0.02 0.02 0.16 -0.04 2.12 2.23 1s10A1 VAL 18 HG13 -0.01 0.00 -0.07 -0.04 0.97 0.85 1s10A1 VAL 18 HG23 -0.03 0.02 0.03 -0.04 0.95 0.93 1s10A1 LEU 19 H 0.01 0.37 -0.25 -0.55 8.37 7.95 1s10A1 LEU 19 HA 0.00 0.08 0.61 -0.75 4.35 4.29 1s10A1 LEU 19 HB2 0.02 0.07 0.14 -0.04 1.64 1.82 1s10A1 LEU 19 HB3 0.01 -0.07 0.02 -0.04 1.64 1.56 1s10A1 LEU 19 HG 0.00 -0.02 0.06 -0.04 1.64 1.64 1s10A1 LEU 19 HD13 0.00 0.04 -0.07 -0.04 0.93 0.86 1s10A1 LEU 19 HD23 0.00 -0.04 -0.01 -0.04 0.89 0.80 1s10A1 ASN 20 H 0.02 0.41 -0.39 -0.55 8.53 8.02 1s10A1 ASN 20 HA 0.01 0.12 0.72 -0.75 4.76 4.86 1s10A1 ASN 20 HB2 0.02 0.02 -0.06 -0.04 2.88 2.81 1s10A1 ASN 20 HB3 0.02 0.05 0.16 -0.04 2.79 2.98 1s10A1 ASN 20 HD21 0.02 -0.01 -0.02 -0.04 7.03 6.98 1s10A1 ASN 20 HD22 0.02 0.00 -0.01 -0.04 7.74 7.72 1s10A1 PRO 21 HA 0.02 0.17 0.52 -0.51 4.44 4.64 1s10A1 PRO 21 HB2 0.01 -0.04 0.02 -0.04 2.28 2.23 1s10A1 PRO 21 HB3 0.01 0.00 0.13 -0.04 2.02 2.12 1s10A1 PRO 21 HG2 0.01 -0.01 0.05 -0.04 2.03 2.04 1s10A1 PRO 21 HG3 0.01 0.20 0.07 -0.04 2.03 2.27 1s10A1 PRO 21 HD2 0.01 0.01 0.09 -0.04 3.68 3.75 1s10A1 PRO 21 HD3 0.01 0.25 -0.36 -0.04 3.65 3.50 1s10A1 SER 22 H 0.02 0.10 -0.35 -0.55 8.46 7.69 1s10A1 SER 22 HA 0.02 0.09 0.43 -0.75 4.49 4.27 1s10A1 SER 22 HB2 0.01 0.01 0.09 -0.04 3.95 4.02 1s10A1 SER 22 HB3 0.01 -0.02 0.07 -0.04 3.93 3.95 1s10A1 LEU 23 H 0.02 0.46 -0.35 -0.55 8.37 7.96 1s10A1 LEU 23 HA 0.02 0.05 0.41 -0.75 4.35 4.08 1s10A1 LEU 23 HB2 0.03 0.13 0.06 -0.04 1.64 1.83 1s10A1 LEU 23 HB3 0.03 -0.12 -0.02 -0.04 1.64 1.49 1s10A1 LEU 23 HG 0.02 0.03 0.03 -0.04 1.64 1.69 1s10A1 LEU 23 HD13 0.03 0.01 -0.16 -0.04 0.93 0.76 1s10A1 LEU 23 HD23 0.02 -0.02 -0.06 -0.04 0.89 0.79 1s10A1 LYS 24 H 0.03 0.43 -0.23 -0.55 8.42 8.09 1s10A1 LYS 24 HA 0.05 -0.09 0.44 -0.75 4.32 3.97 1s10A1 LYS 24 HB2 0.03 0.24 0.17 -0.04 1.87 2.26 1s10A1 LYS 24 HB3 0.03 -0.04 -0.01 -0.04 1.79 1.73 1s10A1 LYS 24 HG2 0.07 -0.11 0.06 -0.04 1.46 1.44 1s10A1 LYS 24 HG3 0.04 0.05 0.07 -0.04 1.46 1.58 1s10A1 LYS 24 HD2 0.03 -0.03 0.02 -0.04 1.69 1.67 1s10A1 LYS 24 HD3 0.05 -0.03 0.01 -0.04 1.68 1.67 1s10A1 LYS 24 HE2 0.02 0.06 0.03 -0.04 2.99 3.07 1s10A1 LYS 24 HE3 0.02 0.06 0.07 -0.04 2.99 3.10 1s10A1 GLY 25 H 0.03 0.05 0.18 -0.55 8.43 8.13 1s10A1 GLY 25 HA2 0.01 -0.07 0.36 -0.51 4.01 3.81 1s10A1 GLY 25 HA3 0.02 0.17 0.61 -0.51 4.01 4.30 1s10A1 LYS 26 H 0.02 0.48 -0.34 -0.55 8.42 8.03 1s10A1 LYS 26 HA 0.02 0.19 0.84 -0.75 4.32 4.61 1s10A1 LYS 26 HB2 0.01 0.05 -0.02 -0.04 1.87 1.87 1s10A1 LYS 26 HB3 0.01 0.01 0.04 -0.04 1.79 1.80 1s10A1 LYS 26 HG2 0.02 -0.04 -0.08 -0.04 1.46 1.31 1s10A1 LYS 26 HG3 0.02 0.16 -0.19 -0.04 1.46 1.41 1s10A1 LYS 26 HD2 0.02 -0.06 -0.01 -0.04 1.69 1.60 1s10A1 LYS 26 HD3 0.01 -0.04 -0.02 -0.04 1.68 1.60 1s10A1 LYS 26 HE2 0.02 -0.06 -0.02 -0.04 2.99 2.88 1s10A1 LYS 26 HE3 0.02 0.32 0.02 -0.04 2.99 3.31 1s10A1 PRO 27 HA -0.01 -0.18 0.44 -0.51 4.44 4.19 1s10A1 PRO 27 HB2 -0.01 0.01 -0.06 -0.04 2.28 2.18 1s10A1 PRO 27 HB3 0.07 0.11 -0.25 -0.04 2.02 1.91 1s10A1 PRO 27 HG2 -0.02 -0.06 0.15 -0.04 2.03 2.06 1s10A1 PRO 27 HG3 0.02 0.10 0.01 -0.04 2.03 2.12 1s10A1 PRO 27 HD2 0.01 0.15 0.21 -0.04 3.68 4.01 1s10A1 PRO 27 HD3 0.04 0.19 0.13 -0.04 3.65 3.97 1s10A1 VAL 28 H -0.04 -0.02 0.26 -0.55 8.24 7.90 1s10A1 VAL 28 HA -0.09 0.33 0.99 -0.75 4.13 4.60 1s10A1 VAL 28 HB 0.02 -0.19 0.15 -0.04 2.12 2.06 1s10A1 VAL 28 HG13 0.01 0.00 -0.17 -0.04 0.97 0.77 1s10A1 VAL 28 HG23 0.01 0.09 -0.15 -0.04 0.95 0.87 1s10A1 VAL 29 H -0.20 0.89 0.30 -0.55 8.24 8.69 1s10A1 VAL 29 HA -0.07 0.11 1.08 -0.75 4.13 4.48 1s10A1 VAL 29 HB -0.50 0.02 0.03 -0.04 2.12 1.63 1s10A1 VAL 29 HG13 0.02 -0.01 -0.23 -0.04 0.97 0.71 1s10A1 VAL 29 HG23 -0.29 0.02 -0.32 -0.04 0.95 0.32 1s10A1 VAL 30 H -0.00 0.59 0.33 -0.55 8.24 8.61 1s10A1 VAL 30 HA 0.08 0.28 0.76 -0.75 4.13 4.49 1s10A1 VAL 30 HB 0.08 -0.12 0.13 -0.04 2.12 2.18 1s10A1 VAL 30 HG13 0.20 0.01 -0.18 -0.04 0.97 0.96 1s10A1 VAL 30 HG23 0.03 -0.00 -0.24 -0.04 0.95 0.70 1s10A1 CYS 31 H 0.04 0.93 0.42 -0.55 8.50 9.35 1s10A1 CYS 31 HA -0.10 0.11 1.18 -0.75 4.58 5.02 1s10A1 CYS 31 HB2 -0.77 -0.01 -0.13 -0.04 2.97 2.02 1s10A1 CYS 31 HB3 -0.68 0.00 -0.17 -0.04 2.97 2.08 1s10A1 VAL 32 H -0.20 0.88 0.28 -0.55 8.24 8.65 1s10A1 VAL 32 HA -0.02 0.12 0.94 -0.75 4.13 4.41 1s10A1 VAL 32 HB -0.05 -0.06 0.25 -0.04 2.12 2.22 1s10A1 VAL 32 HG13 0.01 0.01 -0.06 -0.04 0.97 0.89 1s10A1 VAL 32 HG23 0.04 -0.00 -0.08 -0.04 0.95 0.87 1s10A1 PHE 33 H 0.09 0.20 0.05 -0.55 8.34 8.13 1s10A1 PHE 33 HA -0.04 0.25 0.71 -0.75 4.62 4.79 1s10A1 PHE 33 HB2 -0.00 0.02 0.18 -0.04 3.15 3.31 1s10A1 PHE 33 HB3 -0.03 -0.03 0.05 -0.04 3.06 3.01 1s10A1 PHE 33 HD2 -0.01 -0.01 -0.01 -0.04 7.28 7.22 1s10A1 PHE 33 HE2 0.02 0.01 -0.18 -0.04 7.38 7.19 1s10A1 PHE 33 HZ 0.08 0.07 -0.19 -0.04 7.32 7.24 1s10A1 SER 34 H -0.02 0.40 0.18 -0.55 8.46 8.48 1s10A1 SER 34 HA 0.02 0.15 0.51 -0.75 4.49 4.42 1s10A1 SER 34 HB2 -0.04 0.04 0.05 -0.04 3.95 3.96 1s10A1 SER 34 HB3 -0.04 0.01 0.04 -0.04 3.93 3.90 1s10A1 GLY 35 H -0.01 0.09 -0.14 -0.55 8.43 7.83 1s10A1 GLY 35 HA2 0.00 0.00 0.24 -0.51 4.01 3.75 1s10A1 GLY 35 HA3 0.02 0.20 0.49 -0.51 4.01 4.22 1s10A1 ARG 36 H -0.12 -0.03 -0.29 -0.55 8.46 7.46 1s10A1 ARG 36 HA 0.03 0.18 0.51 -0.75 4.34 4.32 1s10A1 ARG 36 HB2 -0.18 -0.16 0.05 -0.04 1.90 1.56 1s10A1 ARG 36 HB3 0.13 0.09 0.05 -0.04 1.80 2.03 1s10A1 ARG 36 HG2 -0.02 0.18 -0.13 -0.04 1.67 1.66 1s10A1 ARG 36 HG3 -0.09 -0.15 -0.07 -0.04 1.67 1.32 1s10A1 ARG 36 HD2 0.01 -0.09 -0.03 -0.04 3.22 3.08 1s10A1 ARG 36 HD3 0.10 -0.04 -0.00 -0.04 3.22 3.24 1s10A1 PHE 37 H -0.41 0.00 0.01 -0.55 8.34 7.39 1s10A1 PHE 37 HA 0.02 0.22 0.42 -0.75 4.62 4.52 1s10A1 PHE 37 HB2 0.01 -0.06 0.14 -0.04 3.15 3.20 1s10A1 PHE 37 HB3 0.01 0.18 -0.07 -0.04 3.06 3.14 1s10A1 PHE 37 HD2 0.02 0.17 -0.27 -0.04 7.28 7.16 1s10A1 PHE 37 HE2 0.01 0.05 -0.11 -0.04 7.38 7.29 1s10A1 PHE 37 HZ 0.01 -0.01 -0.02 -0.04 7.32 7.26 1s10A1 GLU 38 H 0.27 0.19 0.10 -0.55 8.60 8.62 1s10A1 GLU 38 HA 0.06 0.02 0.43 -0.75 4.29 4.05 1s10A1 GLU 38 HB2 0.08 0.03 0.13 -0.04 2.09 2.29 1s10A1 GLU 38 HB3 0.15 0.01 0.17 -0.04 1.99 2.28 1s10A1 GLU 38 HG2 0.04 0.03 -0.01 -0.04 2.34 2.36 1s10A1 GLU 38 HG3 0.07 0.02 -0.23 -0.04 2.34 2.16 1s10A1 ASP 39 H 0.06 0.14 0.24 -0.55 8.40 8.29 1s10A1 ASP 39 HA 0.30 0.02 0.28 -0.75 4.63 4.47 1s10A1 ASP 39 HB2 0.14 0.30 0.02 -0.04 2.71 3.13 1s10A1 ASP 39 HB3 0.08 -0.10 0.05 -0.04 2.70 2.69 1s10A1 SER 40 H -0.32 0.47 -0.21 -0.55 8.46 7.86 1s10A1 SER 40 HA -0.48 0.10 0.50 -0.75 4.49 3.85 1s10A1 SER 40 HB2 -0.87 0.07 0.09 -0.04 3.95 3.20 1s10A1 SER 40 HB3 -2.83 0.05 0.02 -0.04 3.93 1.14 1s10A1 GLY 41 H -0.13 0.20 0.30 -0.55 8.43 8.26 1s10A1 GLY 41 HA2 -0.09 0.02 0.43 -0.51 4.01 3.86 1s10A1 GLY 41 HA3 -0.12 0.32 1.16 -0.51 4.01 4.85 1s10A1 ALA 42 H -0.11 0.46 0.33 -0.55 8.40 8.54 1s10A1 ALA 42 HA -0.05 0.17 0.99 -0.75 4.34 4.69 1s10A1 ALA 42 HB3 -0.03 0.02 -0.08 -0.04 1.41 1.28 1s10A1 VAL 43 H -0.03 0.63 0.10 -0.55 8.24 8.39 1s10A1 VAL 43 HA -0.04 0.11 0.61 -0.75 4.13 4.05 1s10A1 VAL 43 HB -0.01 0.06 -0.01 -0.04 2.12 2.12 1s10A1 VAL 43 HG13 -0.02 -0.01 -0.44 -0.04 0.97 0.46 1s10A1 VAL 43 HG23 0.03 0.03 -0.22 -0.04 0.95 0.75 1s10A1 ALA 44 H -0.00 0.68 0.39 -0.55 8.40 8.92 1s10A1 ALA 44 HA -0.00 0.09 0.59 -0.75 4.34 4.26 1s10A1 ALA 44 HB3 0.12 -0.01 -0.00 -0.04 1.41 1.48 1s10A1 THR 45 H -0.01 0.43 0.23 -0.55 8.28 8.37 1s10A1 THR 45 HA -0.07 0.04 0.27 -0.75 4.39 3.87 1s10A1 THR 45 HB -0.18 0.22 0.02 -0.04 4.32 4.34 1s10A1 THR 45 HG23 -0.07 -0.04 -0.24 -0.04 1.22 0.82 1s10A1 ALA 46 H -0.08 0.29 0.22 -0.55 8.40 8.29 1s10A1 ALA 46 HA -0.04 0.21 1.04 -0.75 4.34 4.80 1s10A1 ALA 46 HB3 -0.07 0.03 -0.04 -0.04 1.41 1.29 1s10A1 ASN 47 H -0.03 0.48 0.34 -0.55 8.53 8.78 1s10A1 ASN 47 HA -0.13 0.10 0.57 -0.75 4.76 4.56 1s10A1 ASN 47 HB2 -0.41 -0.05 0.23 -0.04 2.88 2.60 1s10A1 ASN 47 HB3 0.09 0.08 0.13 -0.04 2.79 3.05 1s10A1 ASN 47 HD21 -0.00 0.73 0.29 -0.04 7.03 8.01 1s10A1 ASN 47 HD22 0.04 0.04 0.08 -0.04 7.74 7.86 1s10A1 TYR 48 H -0.30 0.18 0.19 -0.55 8.29 7.81 1s10A1 TYR 48 HA -0.16 0.13 0.51 -0.75 4.56 4.28 1s10A1 TYR 48 HB2 -0.30 0.00 0.15 -0.04 3.06 2.88 1s10A1 TYR 48 HB3 -0.16 0.10 0.05 -0.04 2.98 2.92 1s10A1 TYR 48 HD2 -0.35 -0.02 0.06 -0.04 7.15 6.80 1s10A1 TYR 48 HE2 0.06 -0.04 0.01 -0.04 6.85 6.84 1s10A1 GLU 49 H -0.07 0.08 -0.15 -0.55 8.60 7.91 1s10A1 GLU 49 HA -0.03 0.14 0.34 -0.75 4.29 3.99 1s10A1 GLU 49 HB2 -0.01 -0.07 -0.20 -0.04 2.09 1.77 1s10A1 GLU 49 HB3 0.06 0.10 -0.18 -0.04 1.99 1.92 1s10A1 GLU 49 HG2 0.02 0.28 -0.29 -0.04 2.34 2.31 1s10A1 GLU 49 HG3 0.00 0.03 -0.04 -0.04 2.34 2.29 1s10A1 ALA 50 H -0.05 0.06 -0.34 -0.55 8.40 7.53 1s10A1 ALA 50 HA 0.15 0.20 0.65 -0.75 4.34 4.58 1s10A1 ALA 50 HB3 -0.03 -0.01 -0.04 -0.04 1.41 1.29 1s10A1 ARG 51 H -0.12 0.40 -0.04 -0.55 8.46 8.14 1s10A1 ARG 51 HA -0.08 0.19 0.38 -0.75 4.34 4.07 1s10A1 ARG 51 HB2 -0.33 0.02 0.11 -0.04 1.90 1.67 1s10A1 ARG 51 HB3 -0.24 0.01 -0.09 -0.04 1.80 1.43 1s10A1 ARG 51 HG2 -0.15 -0.04 -0.02 -0.04 1.67 1.42 1s10A1 ARG 51 HG3 -0.20 0.04 0.09 -0.04 1.67 1.56 1s10A1 ARG 51 HD2 -0.62 0.00 -0.03 -0.04 3.22 2.53 1s10A1 ARG 51 HD3 -0.25 -0.03 0.00 -0.04 3.22 2.90 1s10A1 LYS 52 H -0.17 0.47 -0.30 -0.55 8.42 7.87 1s10A1 LYS 52 HA -0.19 0.01 0.34 -0.75 4.32 3.72 1s10A1 LYS 52 HB2 -0.66 0.13 -0.01 -0.04 1.87 1.28 1s10A1 LYS 52 HB3 -0.65 -0.02 -0.01 -0.04 1.79 1.06 1s10A1 LYS 52 HG2 -0.15 -0.05 0.04 -0.04 1.46 1.26 1s10A1 LYS 52 HG3 -0.13 0.30 0.07 -0.04 1.46 1.66 1s10A1 LYS 52 HD2 -0.21 -0.02 -0.00 -0.04 1.69 1.41 1s10A1 LYS 52 HD3 -0.10 -0.06 -0.04 -0.04 1.68 1.43 1s10A1 LYS 52 HE2 -0.12 -0.05 0.09 -0.04 2.99 2.87 1s10A1 LYS 52 HE3 -0.52 0.05 0.01 -0.04 2.99 2.50 1s10A1 PHE 53 H -0.07 0.29 -0.66 -0.55 8.34 7.35 1s10A1 PHE 53 HA -0.01 0.18 0.81 -0.75 4.62 4.85 1s10A1 PHE 53 HB2 -0.01 0.06 0.04 -0.04 3.15 3.20 1s10A1 PHE 53 HB3 0.00 -0.00 0.13 -0.04 3.06 3.14 1s10A1 PHE 53 HD2 -0.01 0.03 0.04 -0.04 7.28 7.30 1s10A1 PHE 53 HE2 -0.00 -0.01 0.00 -0.04 7.38 7.33 1s10A1 PHE 53 HZ -0.00 -0.04 -0.01 -0.04 7.32 7.23 1s10A1 GLY 54 H -0.00 0.60 -0.25 -0.55 8.43 8.23 1s10A1 GLY 54 HA2 0.00 0.00 0.24 -0.51 4.01 3.74 1s10A1 GLY 54 HA3 0.04 0.15 0.68 -0.51 4.01 4.38 1s10A1 VAL 55 H 0.05 0.34 -0.14 -0.55 8.24 7.93 1s10A1 VAL 55 HA 0.03 0.11 0.65 -0.75 4.13 4.16 1s10A1 VAL 55 HB 0.02 -0.03 -0.12 -0.04 2.12 1.96 1s10A1 VAL 55 HG13 0.02 -0.03 -0.26 -0.04 0.97 0.65 1s10A1 VAL 55 HG23 0.08 0.02 -0.10 -0.04 0.95 0.91 1s10A1 LYS 56 H -0.01 0.30 0.10 -0.55 8.42 8.25 1s10A1 LYS 56 HA -0.06 0.08 0.75 -0.75 4.32 4.33 1s10A1 LYS 56 HB2 -0.06 -0.06 0.05 -0.04 1.87 1.76 1s10A1 LYS 56 HB3 -0.07 0.06 -0.26 -0.04 1.79 1.48 1s10A1 LYS 56 HG2 -0.02 0.14 -0.14 -0.04 1.46 1.40 1s10A1 LYS 56 HG3 -0.02 0.04 -0.19 -0.04 1.46 1.24 1s10A1 LYS 56 HD2 -0.04 -0.02 -0.06 -0.04 1.69 1.53 1s10A1 LYS 56 HD3 -0.03 0.01 -0.10 -0.04 1.68 1.52 1s10A1 LYS 56 HE2 -0.01 0.04 -0.03 -0.04 2.99 2.95 1s10A1 LYS 56 HE3 -0.02 -0.00 -0.05 -0.04 2.99 2.88 1s10A1 ALA 57 H -0.06 0.08 0.07 -0.55 8.40 7.94 1s10A1 ALA 57 HA -0.04 0.03 0.01 -0.75 4.34 3.59 1s10A1 ALA 57 HB3 -0.06 0.01 0.07 -0.04 1.41 1.39 1s10A1 GLY 58 H -0.02 0.67 0.26 -0.55 8.43 8.80 1s10A1 GLY 58 HA2 -0.02 -0.04 0.40 -0.51 4.01 3.84 1s10A1 GLY 58 HA3 -0.02 0.16 0.75 -0.51 4.01 4.39 1s10A1 ILE 59 H -0.01 0.40 -0.15 -0.55 8.25 7.94 1s10A1 ILE 59 HA 0.00 0.12 0.52 -0.75 4.18 4.07 1s10A1 ILE 59 HB 0.01 0.00 0.13 -0.04 1.89 2.00 1s10A1 ILE 59 HG12 0.01 0.16 0.07 -0.04 1.49 1.69 1s10A1 ILE 59 HG13 0.02 0.03 -0.31 -0.04 1.21 0.91 1s10A1 ILE 59 HG23 0.00 0.06 0.02 -0.04 0.93 0.97 1s10A1 ILE 59 HD13 0.03 0.01 -0.02 -0.04 0.88 0.86 1s10A1 PRO 60 HA -0.01 0.29 0.74 -0.51 4.44 4.95 1s10A1 PRO 60 HB2 0.03 -0.20 0.11 -0.04 2.28 2.18 1s10A1 PRO 60 HB3 0.04 0.06 0.22 -0.04 2.02 2.29 1s10A1 PRO 60 HG2 0.03 0.05 0.12 -0.04 2.03 2.19 1s10A1 PRO 60 HG3 0.02 0.10 0.13 -0.04 2.03 2.24 1s10A1 PRO 60 HD2 0.02 0.08 0.25 -0.04 3.68 3.98 1s10A1 PRO 60 HD3 0.01 0.21 0.26 -0.04 3.65 4.09 1s10A1 ILE 61 H -0.03 0.53 0.16 -0.55 8.25 8.35 1s10A1 ILE 61 HA 0.01 0.05 0.31 -0.75 4.18 3.80 1s10A1 ILE 61 HB -0.04 0.33 -0.02 -0.04 1.89 2.12 1s10A1 ILE 61 HG12 -0.16 -0.02 -0.30 -0.04 1.49 0.97 1s10A1 ILE 61 HG13 -0.13 -0.07 -0.49 -0.04 1.21 0.48 1s10A1 ILE 61 HG23 -0.03 -0.01 -0.21 -0.04 0.93 0.64 1s10A1 ILE 61 HD13 -0.55 -0.01 -0.42 -0.04 0.88 -0.14 1s10A1 VAL 62 H 0.04 0.13 -0.11 -0.55 8.24 7.75 1s10A1 VAL 62 HA 0.01 0.11 0.36 -0.75 4.13 3.86 1s10A1 VAL 62 HB 0.08 -0.05 0.02 -0.04 2.12 2.13 1s10A1 VAL 62 HG13 0.04 0.02 -0.12 -0.04 0.97 0.86 1s10A1 VAL 62 HG23 0.17 0.04 -0.02 -0.04 0.95 1.10 1s10A1 GLU 63 H 0.03 0.10 -0.44 -0.55 8.60 7.75 1s10A1 GLU 63 HA 0.02 0.09 0.48 -0.75 4.29 4.13 1s10A1 GLU 63 HB2 0.03 0.13 0.09 -0.04 2.09 2.30 1s10A1 GLU 63 HB3 0.03 0.04 0.02 -0.04 1.99 2.04 1s10A1 GLU 63 HG2 0.03 -0.10 0.04 -0.04 2.34 2.26 1s10A1 GLU 63 HG3 0.02 0.03 0.05 -0.04 2.34 2.40 1s10A1 ALA 64 H 0.05 0.38 -0.21 -0.55 8.40 8.08 1s10A1 ALA 64 HA 0.09 0.03 0.28 -0.75 4.34 3.99 1s10A1 ALA 64 HB3 0.18 0.03 -0.02 -0.04 1.41 1.56 1s10A1 LYS 65 H -0.00 0.46 -0.30 -0.55 8.42 8.02 1s10A1 LYS 65 HA 0.08 0.11 0.12 -0.75 4.32 3.87 1s10A1 LYS 65 HB2 -0.09 0.04 0.03 -0.04 1.87 1.81 1s10A1 LYS 65 HB3 -0.09 -0.01 -0.05 -0.04 1.79 1.60 1s10A1 LYS 65 HG2 -0.72 0.08 -0.07 -0.04 1.46 0.70 1s10A1 LYS 65 HG3 -0.59 0.01 -0.08 -0.04 1.46 0.76 1s10A1 LYS 65 HD2 -0.19 -0.05 -0.10 -0.04 1.69 1.31 1s10A1 LYS 65 HD3 -0.23 0.02 -0.04 -0.04 1.68 1.39 1s10A1 LYS 65 HE2 -1.06 0.07 -0.07 -0.04 2.99 1.89 1s10A1 LYS 65 HE3 -0.61 -0.06 -0.11 -0.04 2.99 2.17 1s10A1 LYS 66 H 0.02 0.30 -0.42 -0.55 8.42 7.77 1s10A1 LYS 66 HA 0.01 0.01 0.43 -0.75 4.32 4.02 1s10A1 LYS 66 HB2 0.02 0.13 0.16 -0.04 1.87 2.14 1s10A1 LYS 66 HB3 0.01 -0.05 0.01 -0.04 1.79 1.72 1s10A1 LYS 66 HG2 0.00 -0.05 0.02 -0.04 1.46 1.40 1s10A1 LYS 66 HG3 0.01 0.19 0.06 -0.04 1.46 1.67 1s10A1 LYS 66 HD2 0.01 -0.04 -0.01 -0.04 1.69 1.61 1s10A1 LYS 66 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.62 1s10A1 LYS 66 HE2 0.00 -0.01 -0.03 -0.04 2.99 2.91 1s10A1 LYS 66 HE3 0.01 0.01 -0.08 -0.04 2.99 2.89 1s10A1 ILE 67 H 0.04 0.33 -0.24 -0.55 8.25 7.84 1s10A1 ILE 67 HA 0.01 0.04 0.50 -0.75 4.18 3.97 1s10A1 ILE 67 HB 0.06 0.03 0.07 -0.04 1.89 2.01 1s10A1 ILE 67 HG12 0.03 -0.03 -0.01 -0.04 1.49 1.44 1s10A1 ILE 67 HG13 0.03 0.05 0.02 -0.04 1.21 1.27 1s10A1 ILE 67 HG23 0.05 0.02 -0.10 -0.04 0.93 0.85 1s10A1 ILE 67 HD13 0.05 -0.02 -0.13 -0.04 0.88 0.74 1s10A1 LEU 68 H 0.09 0.62 -0.07 -0.55 8.37 8.45 1s10A1 LEU 68 HA -0.03 0.20 0.87 -0.75 4.35 4.64 1s10A1 LEU 68 HB2 0.10 -0.02 0.11 -0.04 1.64 1.79 1s10A1 LEU 68 HB3 0.02 -0.10 0.07 -0.04 1.64 1.59 1s10A1 LEU 68 HG 0.05 -0.01 -0.27 -0.04 1.64 1.37 1s10A1 LEU 68 HD13 0.11 -0.01 -0.00 -0.04 0.93 0.99 1s10A1 LEU 68 HD23 -0.27 0.09 -0.02 -0.04 0.89 0.64 1s10A1 PRO 69 HA 0.07 0.03 0.47 -0.51 4.44 4.51 1s10A1 PRO 69 HB2 0.02 -0.06 0.02 -0.04 2.28 2.22 1s10A1 PRO 69 HB3 0.01 0.09 0.12 -0.04 2.02 2.20 1s10A1 PRO 69 HG2 0.00 -0.06 0.03 -0.04 2.03 1.95 1s10A1 PRO 69 HG3 -0.00 0.02 0.03 -0.04 2.03 2.04 1s10A1 PRO 69 HD2 -0.01 0.14 -0.07 -0.04 3.68 3.69 1s10A1 PRO 69 HD3 0.01 0.36 -0.29 -0.04 3.65 3.68 1s10A1 ASN 70 H 0.05 0.06 -0.40 -0.55 8.53 7.70 1s10A1 ASN 70 HA 0.09 0.25 0.91 -0.75 4.76 5.25 1s10A1 ASN 70 HB2 0.01 -0.01 0.00 -0.04 2.88 2.85 1s10A1 ASN 70 HB3 0.03 -0.01 0.13 -0.04 2.79 2.90 1s10A1 ASN 70 HD21 -0.00 -0.01 -0.04 -0.04 7.03 6.94 1s10A1 ASN 70 HD22 -0.01 0.01 -0.02 -0.04 7.74 7.68 1s10A1 ALA 71 H 0.16 0.36 -0.27 -0.55 8.40 8.11 1s10A1 ALA 71 HA -0.03 0.09 0.48 -0.75 4.34 4.12 1s10A1 ALA 71 HB3 -0.20 -0.01 -0.07 -0.04 1.41 1.09 1s10A1 VAL 72 H -0.11 0.56 0.27 -0.55 8.24 8.41 1s10A1 VAL 72 HA 0.04 0.14 0.67 -0.75 4.13 4.23 1s10A1 VAL 72 HB -0.03 -0.11 0.16 -0.04 2.12 2.09 1s10A1 VAL 72 HG13 0.04 -0.00 -0.12 -0.04 0.97 0.84 1s10A1 VAL 72 HG23 0.01 0.04 0.00 -0.04 0.95 0.96 1s10A1 TYR 73 H 0.22 0.24 0.12 -0.55 8.29 8.32 1s10A1 TYR 73 HA 0.08 0.22 0.88 -0.75 4.56 4.98 1s10A1 TYR 73 HB2 0.13 0.01 0.12 -0.04 3.06 3.28 1s10A1 TYR 73 HB3 0.21 -0.06 -0.07 -0.04 2.98 3.02 1s10A1 TYR 73 HD2 0.05 0.05 -0.13 -0.04 7.15 7.07 1s10A1 TYR 73 HE2 0.02 0.03 -0.17 -0.04 6.85 6.68 1s10A1 LEU 74 H 0.11 0.69 0.34 -0.55 8.37 8.96 1s10A1 LEU 74 HA 0.18 0.26 1.00 -0.75 4.35 5.02 1s10A1 LEU 74 HB2 0.10 -0.11 -0.03 -0.04 1.64 1.56 1s10A1 LEU 74 HB3 0.11 0.08 0.00 -0.04 1.64 1.80 1s10A1 LEU 74 HG 0.06 -0.05 -0.41 -0.04 1.64 1.20 1s10A1 LEU 74 HD13 0.05 -0.01 -0.11 -0.04 0.93 0.83 1s10A1 LEU 74 HD23 0.07 0.05 -0.12 -0.04 0.89 0.86 1s10A1 PRO 75 HA 0.31 0.10 0.67 -0.51 4.44 5.02 1s10A1 PRO 75 HB2 0.17 0.07 0.06 -0.04 2.28 2.55 1s10A1 PRO 75 HB3 0.29 0.00 0.12 -0.04 2.02 2.40 1s10A1 PRO 75 HG2 0.09 0.01 0.10 -0.04 2.03 2.19 1s10A1 PRO 75 HG3 0.07 0.05 0.09 -0.04 2.03 2.21 1s10A1 PRO 75 HD2 0.12 0.10 0.25 -0.04 3.68 4.10 1s10A1 PRO 75 HD3 0.17 0.20 0.21 -0.04 3.65 4.18 1s10A1 MET 76 H 0.12 0.65 0.38 -0.55 8.47 9.07 1s10A1 MET 76 HA 0.23 -0.03 0.38 -0.75 4.52 4.35 1s10A1 MET 76 HB2 0.15 0.06 0.00 -0.04 2.15 2.31 1s10A1 MET 76 HB3 0.10 0.00 0.16 -0.04 2.03 2.25 1s10A1 MET 76 HG2 0.08 -0.14 -0.15 -0.04 2.63 2.37 1s10A1 MET 76 HG3 0.33 -0.02 -0.04 -0.04 2.56 2.79 1s10A1 MET 76 HE3 0.43 0.00 -0.04 -0.04 2.10 2.45 1s10A1 ARG 77 H -0.07 0.16 0.06 -0.55 8.46 8.06 1s10A1 ARG 77 HA -0.19 0.22 0.88 -0.75 4.34 4.49 1s10A1 ARG 77 HB2 -0.44 0.00 0.22 -0.04 1.90 1.64 1s10A1 ARG 77 HB3 -0.29 -0.08 0.18 -0.04 1.80 1.57 1s10A1 ARG 77 HG2 -0.06 0.05 -0.07 -0.04 1.67 1.55 1s10A1 ARG 77 HG3 -0.01 0.22 -0.09 -0.04 1.67 1.75 1s10A1 ARG 77 HD2 -0.08 -0.05 0.03 -0.04 3.22 3.08 1s10A1 ARG 77 HD3 -0.02 0.04 0.01 -0.04 3.22 3.21 1s10A1 LYS 78 H -0.21 0.30 -0.18 -0.55 8.42 7.78 1s10A1 LYS 78 HA -0.40 0.02 0.36 -0.75 4.32 3.54 1s10A1 LYS 78 HB2 -0.04 0.03 0.07 -0.04 1.87 1.90 1s10A1 LYS 78 HB3 -0.06 0.03 0.07 -0.04 1.79 1.80 1s10A1 LYS 78 HG2 0.05 0.08 -0.03 -0.04 1.46 1.52 1s10A1 LYS 78 HG3 0.00 0.01 -0.20 -0.04 1.46 1.23 1s10A1 LYS 78 HD2 -0.01 -0.07 0.05 -0.04 1.69 1.62 1s10A1 LYS 78 HD3 0.12 0.01 0.01 -0.04 1.68 1.78 1s10A1 LYS 78 HE2 0.15 0.02 -0.01 -0.04 2.99 3.10 1s10A1 LYS 78 HE3 0.29 -0.03 -0.00 -0.04 2.99 3.21 1s10A1 GLU 79 H -0.16 0.14 -0.15 -0.55 8.60 7.89 1s10A1 GLU 79 HA -0.04 0.10 0.42 -0.75 4.29 4.02 1s10A1 GLU 79 HB2 -0.07 0.06 -0.06 -0.04 2.09 1.98 1s10A1 GLU 79 HB3 0.00 0.08 0.07 -0.04 1.99 2.10 1s10A1 GLU 79 HG2 -0.01 0.09 0.02 -0.04 2.34 2.40 1s10A1 GLU 79 HG3 0.00 0.03 0.04 -0.04 2.34 2.37 1s10A1 VAL 80 H -0.34 0.19 -0.25 -0.55 8.24 7.29 1s10A1 VAL 80 HA -0.11 0.09 0.46 -0.75 4.13 3.83 1s10A1 VAL 80 HB -0.51 0.13 0.18 -0.04 2.12 1.88 1s10A1 VAL 80 HG13 -0.05 0.01 -0.10 -0.04 0.97 0.79 1s10A1 VAL 80 HG23 -0.14 -0.01 0.04 -0.04 0.95 0.81 1s10A1 TYR 81 H -0.80 0.33 -0.04 -0.55 8.29 7.23 1s10A1 TYR 81 HA -0.18 0.08 0.38 -0.75 4.56 4.09 1s10A1 TYR 81 HB2 -0.27 0.05 0.02 -0.04 3.06 2.82 1s10A1 TYR 81 HB3 -0.43 -0.02 0.02 -0.04 2.98 2.51 1s10A1 TYR 81 HD2 -0.87 0.01 -0.07 -0.04 7.15 6.18 1s10A1 TYR 81 HE2 -0.31 0.00 -0.07 -0.04 6.85 6.43 1s10A1 GLN 82 H -0.01 0.52 -0.25 -0.55 8.47 8.18 1s10A1 GLN 82 HA 0.19 0.01 0.44 -0.75 4.36 4.24 1s10A1 GLN 82 HB2 0.07 -0.02 0.10 -0.04 2.15 2.25 1s10A1 GLN 82 HB3 0.03 0.10 0.18 -0.04 2.02 2.28 1s10A1 GLN 82 HG2 0.05 0.01 -0.01 -0.04 2.40 2.40 1s10A1 GLN 82 HG3 0.06 0.02 -0.19 -0.04 2.39 2.24 1s10A1 GLN 82 HE21 0.10 0.01 0.02 -0.04 6.97 7.05 1s10A1 GLN 82 HE22 0.09 -0.03 0.06 -0.04 7.69 7.77 1s10A1 GLN 83 H 0.02 0.52 -0.10 -0.55 8.47 8.37 1s10A1 GLN 83 HA 0.05 0.03 0.47 -0.75 4.36 4.15 1s10A1 GLN 83 HB2 0.01 0.09 0.17 -0.04 2.15 2.38 1s10A1 GLN 83 HB3 0.02 -0.02 0.06 -0.04 2.02 2.04 1s10A1 GLN 83 HG2 0.02 -0.06 0.05 -0.04 2.40 2.37 1s10A1 GLN 83 HG3 -0.00 0.32 0.15 -0.04 2.39 2.81 1s10A1 GLN 83 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.92 1s10A1 GLN 83 HE22 0.01 -0.01 0.00 -0.04 7.69 7.66 1s10A1 VAL 84 H 0.09 0.47 -0.14 -0.55 8.24 8.11 1s10A1 VAL 84 HA 0.07 0.06 0.44 -0.75 4.13 3.95 1s10A1 VAL 84 HB 0.17 0.02 0.15 -0.04 2.12 2.41 1s10A1 VAL 84 HG13 0.11 -0.01 -0.08 -0.04 0.97 0.96 1s10A1 VAL 84 HG23 0.03 0.05 0.04 -0.04 0.95 1.02 1s10A1 SER 85 H 0.32 0.67 -0.09 -0.55 8.46 8.81 1s10A1 SER 85 HA 0.23 -0.03 0.43 -0.75 4.49 4.36 1s10A1 SER 85 HB2 0.49 -0.03 0.18 -0.04 3.95 4.55 1s10A1 SER 85 HB3 0.28 0.04 0.26 -0.04 3.93 4.46 1s10A1 SER 86 H 0.12 0.62 -0.13 -0.55 8.46 8.53 1s10A1 SER 86 HA 0.08 -0.03 0.40 -0.75 4.49 4.18 1s10A1 SER 86 HB2 0.05 0.12 0.16 -0.04 3.95 4.24 1s10A1 SER 86 HB3 0.04 -0.05 0.04 -0.04 3.93 3.93 1s10A1 ARG 87 H 0.06 0.44 -0.30 -0.55 8.46 8.10 1s10A1 ARG 87 HA 0.02 0.03 0.47 -0.75 4.34 4.10 1s10A1 ARG 87 HB2 0.02 0.14 0.15 -0.04 1.90 2.16 1s10A1 ARG 87 HB3 0.01 -0.04 0.03 -0.04 1.80 1.77 1s10A1 ARG 87 HG2 0.02 -0.07 0.02 -0.04 1.67 1.59 1s10A1 ARG 87 HG3 0.03 0.28 0.10 -0.04 1.67 2.04 1s10A1 ARG 87 HD2 0.01 -0.02 0.00 -0.04 3.22 3.17 1s10A1 ARG 87 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.14 1s10A1 ILE 88 H 0.01 0.46 -0.12 -0.55 8.25 8.05 1s10A1 ILE 88 HA -0.04 0.04 0.42 -0.75 4.18 3.84 1s10A1 ILE 88 HB -0.15 0.11 0.12 -0.04 1.89 1.93 1s10A1 ILE 88 HG12 -0.19 -0.03 -0.00 -0.04 1.49 1.23 1s10A1 ILE 88 HG13 -0.11 0.24 0.08 -0.04 1.21 1.37 1s10A1 ILE 88 HG23 -0.38 -0.03 -0.12 -0.04 0.93 0.36 1s10A1 ILE 88 HD13 -0.61 -0.02 -0.08 -0.04 0.88 0.12 1s10A1 MET 89 H 0.09 0.59 -0.13 -0.55 8.47 8.47 1s10A1 MET 89 HA 0.10 -0.03 0.35 -0.75 4.52 4.18 1s10A1 MET 89 HB2 0.07 0.14 0.09 -0.04 2.15 2.41 1s10A1 MET 89 HB3 0.06 -0.06 -0.02 -0.04 2.03 1.97 1s10A1 MET 89 HG2 0.13 0.30 -0.01 -0.04 2.63 3.02 1s10A1 MET 89 HG3 0.07 -0.04 -0.06 -0.04 2.56 2.49 1s10A1 MET 89 HE3 -0.13 -0.00 -0.22 -0.04 2.10 1.70 1s10A1 ASN 90 H 0.04 0.45 -0.34 -0.55 8.53 8.13 1s10A1 ASN 90 HA 0.03 -0.00 0.40 -0.75 4.76 4.43 1s10A1 ASN 90 HB2 0.02 0.19 0.16 -0.04 2.88 3.21 1s10A1 ASN 90 HB3 0.01 -0.05 0.02 -0.04 2.79 2.73 1s10A1 ASN 90 HD21 0.02 -0.07 -0.03 -0.04 7.03 6.91 1s10A1 ASN 90 HD22 0.02 -0.02 -0.01 -0.04 7.74 7.69 1s10A1 LEU 91 H 0.04 0.34 -0.36 -0.55 8.37 7.83 1s10A1 LEU 91 HA 0.03 0.05 0.45 -0.75 4.35 4.12 1s10A1 LEU 91 HB2 0.05 0.14 0.12 -0.04 1.64 1.91 1s10A1 LEU 91 HB3 0.09 -0.07 -0.02 -0.04 1.64 1.61 1s10A1 LEU 91 HG 0.01 0.30 0.07 -0.04 1.64 1.97 1s10A1 LEU 91 HD13 -0.01 -0.02 -0.07 -0.04 0.93 0.79 1s10A1 LEU 91 HD23 0.01 -0.02 -0.04 -0.04 0.89 0.80 1s10A1 LEU 92 H 0.09 0.45 -0.18 -0.55 8.37 8.17 1s10A1 LEU 92 HA 0.31 0.02 0.37 -0.75 4.35 4.29 1s10A1 LEU 92 HB2 0.09 0.14 0.06 -0.04 1.64 1.89 1s10A1 LEU 92 HB3 0.10 -0.08 -0.06 -0.04 1.64 1.57 1s10A1 LEU 92 HG 0.08 0.21 -0.03 -0.04 1.64 1.86 1s10A1 LEU 92 HD13 0.08 -0.03 -0.13 -0.04 0.93 0.81 1s10A1 LEU 92 HD23 0.03 -0.02 -0.10 -0.04 0.89 0.76 1s10A1 ARG 93 H 0.06 0.39 -0.37 -0.55 8.46 7.98 1s10A1 ARG 93 HA 0.05 0.11 0.34 -0.75 4.34 4.09 1s10A1 ARG 93 HB2 0.02 0.19 0.04 -0.04 1.90 2.10 1s10A1 ARG 93 HB3 0.02 -0.06 0.01 -0.04 1.80 1.72 1s10A1 ARG 93 HG2 0.04 -0.05 0.00 -0.04 1.67 1.63 1s10A1 ARG 93 HG3 0.04 0.22 0.02 -0.04 1.67 1.91 1s10A1 ARG 93 HD2 0.02 0.03 0.01 -0.04 3.22 3.24 1s10A1 ARG 93 HD3 0.02 -0.04 -0.00 -0.04 3.22 3.16 1s10A1 GLU 94 H -0.03 0.38 -0.57 -0.55 8.60 7.83 1s10A1 GLU 94 HA -0.11 0.04 0.41 -0.75 4.29 3.87 1s10A1 GLU 94 HB2 -0.43 0.18 0.05 -0.04 2.09 1.85 1s10A1 GLU 94 HB3 -0.33 -0.08 0.07 -0.04 1.99 1.60 1s10A1 GLU 94 HG2 -0.07 0.18 0.08 -0.04 2.34 2.49 1s10A1 GLU 94 HG3 -0.11 -0.06 0.04 -0.04 2.34 2.16 1s10A1 TYR 95 H 0.07 0.49 -0.40 -0.55 8.29 7.90 1s10A1 TYR 95 HA 0.01 0.15 0.79 -0.75 4.56 4.77 1s10A1 TYR 95 HB2 0.02 0.11 0.03 -0.04 3.06 3.18 1s10A1 TYR 95 HB3 0.02 -0.10 0.05 -0.04 2.98 2.91 1s10A1 TYR 95 HD2 0.01 0.01 0.00 -0.04 7.15 7.13 1s10A1 TYR 95 HE2 -0.00 -0.01 -0.10 -0.04 6.85 6.69 1s10A1 SER 96 H 0.07 0.37 -0.28 -0.55 8.46 8.08 1s10A1 SER 96 HA 0.05 -0.00 0.37 -0.75 4.49 4.16 1s10A1 SER 96 HB2 0.10 0.19 -0.08 -0.04 3.95 4.11 1s10A1 SER 96 HB3 0.10 -0.02 -0.19 -0.04 3.93 3.77 1s10A1 GLU 97 H 0.03 0.14 0.11 -0.55 8.60 8.34 1s10A1 GLU 97 HA 0.03 0.18 0.51 -0.75 4.29 4.25 1s10A1 GLU 97 HB2 0.02 -0.03 0.00 -0.04 2.09 2.05 1s10A1 GLU 97 HB3 0.02 0.01 0.12 -0.04 1.99 2.10 1s10A1 GLU 97 HG2 0.01 -0.00 0.03 -0.04 2.34 2.34 1s10A1 GLU 97 HG3 0.01 0.08 0.02 -0.04 2.34 2.41 1s10A1 LYS 98 H 0.05 0.04 -0.23 -0.55 8.42 7.73 1s10A1 LYS 98 HA 0.04 0.16 0.70 -0.75 4.32 4.47 1s10A1 LYS 98 HB2 0.05 0.03 0.29 -0.04 1.87 2.20 1s10A1 LYS 98 HB3 0.04 -0.01 0.10 -0.04 1.79 1.89 1s10A1 LYS 98 HG2 0.03 0.08 -0.01 -0.04 1.46 1.51 1s10A1 LYS 98 HG3 0.03 -0.06 0.01 -0.04 1.46 1.40 1s10A1 LYS 98 HD2 0.03 -0.02 0.08 -0.04 1.69 1.74 1s10A1 LYS 98 HD3 0.03 -0.01 0.06 -0.04 1.68 1.72 1s10A1 LYS 98 HE2 0.02 0.04 0.01 -0.04 2.99 3.02 1s10A1 LYS 98 HE3 0.02 0.00 0.02 -0.04 2.99 2.99 1s10A1 ILE 99 H 0.05 0.35 0.04 -0.55 8.25 8.15 1s10A1 ILE 99 HA 0.10 0.31 1.01 -0.75 4.18 4.84 1s10A1 ILE 99 HB 0.07 0.14 -0.28 -0.04 1.89 1.78 1s10A1 ILE 99 HG12 0.07 -0.11 -0.36 -0.04 1.49 1.04 1s10A1 ILE 99 HG13 0.09 0.03 -0.15 -0.04 1.21 1.13 1s10A1 ILE 99 HG23 0.05 0.01 -0.06 -0.04 0.93 0.90 1s10A1 ILE 99 HD13 0.07 0.01 -0.23 -0.04 0.88 0.69 1s10A1 GLU 100 H 0.16 0.65 0.24 -0.55 8.60 9.11 1s10A1 GLU 100 HA 0.09 0.21 0.93 -0.75 4.29 4.76 1s10A1 GLU 100 HB2 0.09 -0.10 -0.11 -0.04 2.09 1.92 1s10A1 GLU 100 HB3 0.24 -0.12 0.19 -0.04 1.99 2.26 1s10A1 GLU 100 HG2 0.18 -0.07 -0.29 -0.04 2.34 2.11 1s10A1 GLU 100 HG3 0.08 0.33 0.06 -0.04 2.34 2.77 1s10A1 ILE 101 H 0.07 0.19 0.12 -0.55 8.25 8.09 1s10A1 ILE 101 HA 0.03 0.10 0.81 -0.75 4.18 4.37 1s10A1 ILE 101 HB 0.05 -0.01 0.19 -0.04 1.89 2.07 1s10A1 ILE 101 HG12 0.03 0.01 -0.06 -0.04 1.49 1.44 1s10A1 ILE 101 HG13 0.05 -0.05 -0.06 -0.04 1.21 1.11 1s10A1 ILE 101 HG23 0.01 -0.00 -0.06 -0.04 0.93 0.84 1s10A1 ILE 101 HD13 0.04 0.02 -0.03 -0.04 0.88 0.88 1s10A1 ALA 102 H 0.05 0.52 0.40 -0.55 8.40 8.83 1s10A1 ALA 102 HA 0.10 0.16 0.74 -0.75 4.34 4.58 1s10A1 ALA 102 HB3 0.21 -0.02 -0.02 -0.04 1.41 1.54 1s10A1 SER 103 H -0.03 0.44 0.20 -0.55 8.46 8.52 1s10A1 SER 103 HA 0.02 0.17 0.42 -0.75 4.49 4.35 1s10A1 SER 103 HB2 0.01 -0.06 0.19 -0.04 3.95 4.05 1s10A1 SER 103 HB3 0.01 0.21 -0.19 -0.04 3.93 3.92 1s10A1 ILE 104 H 0.05 0.17 0.14 -0.55 8.25 8.05 1s10A1 ILE 104 HA 0.07 0.16 0.39 -0.75 4.18 4.05 1s10A1 ILE 104 HB 0.18 0.02 0.11 -0.04 1.89 2.16 1s10A1 ILE 104 HG12 0.46 0.02 -0.05 -0.04 1.49 1.88 1s10A1 ILE 104 HG13 0.23 0.06 0.08 -0.04 1.21 1.54 1s10A1 ILE 104 HG23 0.30 -0.01 -0.09 -0.04 0.93 1.09 1s10A1 ILE 104 HD13 0.33 -0.01 -0.10 -0.04 0.88 1.05 1s10A1 ASP 105 H -0.17 -0.00 -0.29 -0.55 8.40 7.39 1s10A1 ASP 105 HA -1.03 0.36 1.04 -0.75 4.63 4.25 1s10A1 ASP 105 HB2 -0.66 0.00 0.17 -0.04 2.71 2.18 1s10A1 ASP 105 HB3 -0.15 -0.05 -0.15 -0.04 2.70 2.31 1s10A1 GLU 106 H -0.38 0.29 -0.13 -0.55 8.60 7.83 1s10A1 GLU 106 HA -0.74 0.34 0.84 -0.75 4.29 3.97 1s10A1 GLU 106 HB2 -0.50 0.13 0.11 -0.04 2.09 1.79 1s10A1 GLU 106 HB3 -0.35 -0.01 -0.25 -0.04 1.99 1.34 1s10A1 GLU 106 HG2 -0.09 -0.17 -0.09 -0.04 2.34 1.94 1s10A1 GLU 106 HG3 0.00 -0.03 -0.20 -0.04 2.34 2.08 1s10A1 ALA 107 H -0.46 0.59 0.38 -0.55 8.40 8.36 1s10A1 ALA 107 HA -0.01 0.22 1.01 -0.75 4.34 4.80 1s10A1 ALA 107 HB3 -0.03 0.01 -0.12 -0.04 1.41 1.23 1s10A1 TYR 108 H 0.24 0.58 0.34 -0.55 8.29 8.90 1s10A1 TYR 108 HA 0.22 0.19 0.95 -0.75 4.56 5.16 1s10A1 TYR 108 HB2 0.10 -0.03 0.16 -0.04 3.06 3.24 1s10A1 TYR 108 HB3 0.11 -0.01 -0.09 -0.04 2.98 2.95 1s10A1 TYR 108 HD2 0.10 0.06 -0.06 -0.04 7.15 7.21 1s10A1 TYR 108 HE2 -0.19 0.08 -0.06 -0.04 6.85 6.64 1s10A1 LEU 109 H 0.19 0.75 0.33 -0.55 8.37 9.10 1s10A1 LEU 109 HA 0.12 0.34 1.13 -0.75 4.35 5.19 1s10A1 LEU 109 HB2 0.09 0.01 0.13 -0.04 1.64 1.84 1s10A1 LEU 109 HB3 0.10 0.02 -0.16 -0.04 1.64 1.56 1s10A1 LEU 109 HG 0.10 0.10 -0.15 -0.04 1.64 1.65 1s10A1 LEU 109 HD13 0.06 -0.04 -0.41 -0.04 0.93 0.50 1s10A1 LEU 109 HD23 0.11 0.02 -0.14 -0.04 0.89 0.84 1s10A1 ASP 110 H 0.09 0.67 0.23 -0.55 8.40 8.84 1s10A1 ASP 110 HA 0.09 0.13 0.86 -0.75 4.63 4.96 1s10A1 ASP 110 HB2 0.06 -0.02 0.12 -0.04 2.71 2.83 1s10A1 ASP 110 HB3 0.06 0.02 0.29 -0.04 2.70 3.03 1s10A1 ILE 111 H 0.09 0.54 0.24 -0.55 8.25 8.56 1s10A1 ILE 111 HA 0.06 0.27 0.97 -0.75 4.18 4.73 1s10A1 ILE 111 HB 0.07 -0.07 0.14 -0.04 1.89 2.00 1s10A1 ILE 111 HG12 0.09 0.05 -0.09 -0.04 1.49 1.50 1s10A1 ILE 111 HG13 0.08 -0.00 -0.19 -0.04 1.21 1.05 1s10A1 ILE 111 HG23 0.08 0.05 -0.17 -0.04 0.93 0.85 1s10A1 ILE 111 HD13 0.08 -0.01 -0.12 -0.04 0.88 0.79 1s10A1 SER 112 H 0.05 0.12 -0.17 -0.55 8.46 7.91 1s10A1 SER 112 HA 0.02 0.08 0.39 -0.75 4.49 4.22 1s10A1 SER 112 HB2 0.02 -0.00 0.08 -0.04 3.95 4.02 1s10A1 SER 112 HB3 0.01 0.11 0.05 -0.04 3.93 4.06 1s10A1 ASP 113 H 0.03 0.08 -0.23 -0.55 8.40 7.73 1s10A1 ASP 113 HA 0.01 0.20 0.67 -0.75 4.63 4.76 1s10A1 ASP 113 HB2 0.02 -0.00 0.04 -0.04 2.71 2.72 1s10A1 ASP 113 HB3 0.02 0.03 0.15 -0.04 2.70 2.85 1s10A1 LYS 114 H 0.03 0.48 -0.40 -0.55 8.42 7.99 1s10A1 LYS 114 HA 0.03 0.19 0.96 -0.75 4.32 4.76 1s10A1 LYS 114 HB2 0.06 -0.01 0.13 -0.04 1.87 2.01 1s10A1 LYS 114 HB3 0.06 -0.01 0.07 -0.04 1.79 1.87 1s10A1 LYS 114 HG2 0.05 -0.19 -0.06 -0.04 1.46 1.21 1s10A1 LYS 114 HG3 0.08 0.29 0.13 -0.04 1.46 1.91 1s10A1 LYS 114 HD2 0.05 0.04 0.01 -0.04 1.69 1.74 1s10A1 LYS 114 HD3 0.03 0.07 -0.09 -0.04 1.68 1.65 1s10A1 LYS 114 HE2 0.03 -0.11 -0.05 -0.04 2.99 2.82 1s10A1 LYS 114 HE3 0.04 0.05 -0.05 -0.04 2.99 2.98 1s10A1 VAL 115 H 0.03 0.43 0.12 -0.55 8.24 8.28 1s10A1 VAL 115 HA 0.03 0.19 0.92 -0.75 4.13 4.51 1s10A1 VAL 115 HB 0.04 -0.23 -0.04 -0.04 2.12 1.85 1s10A1 VAL 115 HG13 0.05 0.03 -0.29 -0.04 0.97 0.72 1s10A1 VAL 115 HG23 0.04 0.02 -0.17 -0.04 0.95 0.80 1s10A1 ARG 116 H 0.01 0.04 0.15 -0.55 8.46 8.11 1s10A1 ARG 116 HA -0.01 0.28 0.73 -0.75 4.34 4.58 1s10A1 ARG 116 HB2 0.00 -0.09 0.13 -0.04 1.90 1.89 1s10A1 ARG 116 HB3 -0.01 0.00 0.03 -0.04 1.80 1.78 1s10A1 ARG 116 HG2 -0.00 0.08 -0.02 -0.04 1.67 1.69 1s10A1 ARG 116 HG3 0.01 0.02 -0.07 -0.04 1.67 1.58 1s10A1 ARG 116 HD2 0.00 -0.04 0.01 -0.04 3.22 3.15 1s10A1 ARG 116 HD3 0.00 0.03 -0.01 -0.04 3.22 3.21 1s10A1 ASP 117 H -0.00 0.01 0.10 -0.55 8.40 7.96 1s10A1 ASP 117 HA -0.15 0.31 0.62 -0.75 4.63 4.66 1s10A1 ASP 117 HB2 -0.03 -0.13 0.20 -0.04 2.71 2.71 1s10A1 ASP 117 HB3 -0.04 0.24 -0.11 -0.04 2.70 2.75 1s10A1 TYR 118 H -0.05 0.24 0.14 -0.55 8.29 8.07 1s10A1 TYR 118 HA 0.05 0.13 0.42 -0.75 4.56 4.41 1s10A1 TYR 118 HB2 0.02 0.01 0.11 -0.04 3.06 3.16 1s10A1 TYR 118 HB3 0.04 0.05 -0.00 -0.04 2.98 3.02 1s10A1 TYR 118 HD2 0.03 -0.03 -0.02 -0.04 7.15 7.10 1s10A1 TYR 118 HE2 0.03 -0.03 -0.04 -0.04 6.85 6.76 1s10A1 ARG 119 H 0.10 0.10 -0.16 -0.55 8.46 7.94 1s10A1 ARG 119 HA 0.07 0.14 0.42 -0.75 4.34 4.22 1s10A1 ARG 119 HB2 0.04 0.03 0.09 -0.04 1.90 2.02 1s10A1 ARG 119 HB3 0.05 -0.06 0.06 -0.04 1.80 1.81 1s10A1 ARG 119 HG2 0.05 0.02 -0.19 -0.04 1.67 1.51 1s10A1 ARG 119 HG3 0.01 0.04 0.02 -0.04 1.67 1.70 1s10A1 ARG 119 HD2 0.01 0.05 -0.02 -0.04 3.22 3.23 1s10A1 ARG 119 HD3 0.01 0.00 -0.00 -0.04 3.22 3.19 1s10A1 GLU 120 H 0.07 0.03 -0.21 -0.55 8.60 7.95 1s10A1 GLU 120 HA 0.08 0.13 0.46 -0.75 4.29 4.21 1s10A1 GLU 120 HB2 0.04 -0.12 0.16 -0.04 2.09 2.13 1s10A1 GLU 120 HB3 0.05 0.12 0.06 -0.04 1.99 2.18 1s10A1 GLU 120 HG2 0.04 0.10 0.04 -0.04 2.34 2.49 1s10A1 GLU 120 HG3 0.04 -0.07 0.04 -0.04 2.34 2.30 1s10A1 ALA 121 H 0.13 0.31 -0.22 -0.55 8.40 8.07 1s10A1 ALA 121 HA 0.08 0.10 0.39 -0.75 4.34 4.16 1s10A1 ALA 121 HB3 0.20 0.02 -0.02 -0.04 1.41 1.57 1s10A1 TYR 122 H 0.25 0.62 -0.15 -0.55 8.29 8.45 1s10A1 TYR 122 HA 0.02 0.01 0.30 -0.75 4.56 4.14 1s10A1 TYR 122 HB2 0.04 0.00 0.11 -0.04 3.06 3.17 1s10A1 TYR 122 HB3 0.03 0.16 0.17 -0.04 2.98 3.29 1s10A1 TYR 122 HD2 0.00 -0.02 -0.17 -0.04 7.15 6.92 1s10A1 TYR 122 HE2 -0.00 0.06 -0.08 -0.04 6.85 6.78 1s10A1 ASN 123 H 0.17 0.37 -0.29 -0.55 8.53 8.23 1s10A1 ASN 123 HA 0.04 0.04 0.45 -0.75 4.76 4.54 1s10A1 ASN 123 HB2 0.07 0.07 0.14 -0.04 2.88 3.12 1s10A1 ASN 123 HB3 0.05 -0.01 0.01 -0.04 2.79 2.80 1s10A1 ASN 123 HD21 0.08 -0.05 -0.06 -0.04 7.03 6.95 1s10A1 ASN 123 HD22 0.07 -0.06 -0.05 -0.04 7.74 7.66 1s10A1 LEU 124 H 0.03 0.54 -0.15 -0.55 8.37 8.24 1s10A1 LEU 124 HA -0.02 0.02 0.42 -0.75 4.35 4.02 1s10A1 LEU 124 HB2 0.03 0.03 0.12 -0.04 1.64 1.78 1s10A1 LEU 124 HB3 0.01 0.10 0.15 -0.04 1.64 1.86 1s10A1 LEU 124 HG -0.10 -0.04 -0.19 -0.04 1.64 1.28 1s10A1 LEU 124 HD13 0.11 -0.00 0.04 -0.04 0.93 1.03 1s10A1 LEU 124 HD23 0.07 0.01 -0.04 -0.04 0.89 0.88 1s10A1 GLY 125 H -0.09 0.49 -0.39 -0.55 8.43 7.89 1s10A1 GLY 125 HA2 -0.15 0.01 0.35 -0.51 4.01 3.70 1s10A1 GLY 125 HA3 -0.17 0.05 0.24 -0.51 4.01 3.62 1s10A1 LEU 126 H -0.21 0.41 -0.18 -0.55 8.37 7.85 1s10A1 LEU 126 HA -0.16 0.03 0.44 -0.75 4.35 3.91 1s10A1 LEU 126 HB2 -0.09 0.15 0.18 -0.04 1.64 1.85 1s10A1 LEU 126 HB3 -0.08 -0.04 0.02 -0.04 1.64 1.50 1s10A1 LEU 126 HG -0.49 0.21 0.09 -0.04 1.64 1.41 1s10A1 LEU 126 HD13 0.07 -0.03 -0.01 -0.04 0.93 0.92 1s10A1 LEU 126 HD23 -0.20 -0.01 -0.02 -0.04 0.89 0.63 1s10A1 GLU 127 H -0.09 0.54 -0.14 -0.55 8.60 8.36 1s10A1 GLU 127 HA -0.04 -0.00 0.36 -0.75 4.29 3.86 1s10A1 GLU 127 HB2 -0.01 0.03 0.12 -0.04 2.09 2.18 1s10A1 GLU 127 HB3 -0.10 0.18 0.13 -0.04 1.99 2.16 1s10A1 GLU 127 HG2 0.10 0.00 -0.14 -0.04 2.34 2.27 1s10A1 GLU 127 HG3 0.05 -0.04 0.04 -0.04 2.34 2.34 1s10A1 ILE 128 H -0.24 0.47 -0.34 -0.55 8.25 7.59 1s10A1 ILE 128 HA -0.40 0.04 0.43 -0.75 4.18 3.49 1s10A1 ILE 128 HB -0.26 0.11 0.13 -0.04 1.89 1.84 1s10A1 ILE 128 HG12 -1.44 -0.02 -0.03 -0.04 1.49 -0.05 1s10A1 ILE 128 HG13 -0.77 0.17 0.02 -0.04 1.21 0.60 1s10A1 ILE 128 HG23 -0.17 -0.02 -0.20 -0.04 0.93 0.49 1s10A1 ILE 128 HD13 -0.27 -0.03 -0.12 -0.04 0.88 0.42 1s10A1 LYS 129 H -0.14 0.58 -0.09 -0.55 8.42 8.22 1s10A1 LYS 129 HA -0.09 -0.03 0.36 -0.75 4.32 3.81 1s10A1 LYS 129 HB2 -0.10 0.11 0.20 -0.04 1.87 2.04 1s10A1 LYS 129 HB3 -0.07 -0.04 -0.00 -0.04 1.79 1.64 1s10A1 LYS 129 HG2 -0.07 -0.06 -0.02 -0.04 1.46 1.26 1s10A1 LYS 129 HG3 -0.11 -0.01 -0.01 -0.04 1.46 1.29 1s10A1 LYS 129 HD2 -0.10 0.01 -0.04 -0.04 1.69 1.53 1s10A1 LYS 129 HD3 -0.13 -0.03 -0.10 -0.04 1.68 1.38 1s10A1 LYS 129 HE2 -0.07 -0.04 -0.18 -0.04 2.99 2.65 1s10A1 LYS 129 HE3 -0.07 -0.04 -0.05 -0.04 2.99 2.80 1s10A1 ASN 130 H -0.07 0.65 -0.16 -0.55 8.53 8.41 1s10A1 ASN 130 HA -0.03 0.01 0.40 -0.75 4.76 4.39 1s10A1 ASN 130 HB2 -0.02 0.11 0.11 -0.04 2.88 3.03 1s10A1 ASN 130 HB3 -0.01 -0.05 -0.00 -0.04 2.79 2.68 1s10A1 ASN 130 HD21 -0.02 -0.07 -0.08 -0.04 7.03 6.82 1s10A1 ASN 130 HD22 -0.02 -0.03 -0.09 -0.04 7.74 7.56 1s10A1 LYS 131 H -0.03 0.53 -0.21 -0.55 8.42 8.16 1s10A1 LYS 131 HA 0.02 -0.02 0.44 -0.75 4.32 4.01 1s10A1 LYS 131 HB2 0.12 0.05 0.14 -0.04 1.87 2.13 1s10A1 LYS 131 HB3 0.04 0.14 0.20 -0.04 1.79 2.13 1s10A1 LYS 131 HG2 0.25 0.02 -0.04 -0.04 1.46 1.65 1s10A1 LYS 131 HG3 0.08 -0.03 -0.25 -0.04 1.46 1.22 1s10A1 LYS 131 HD2 0.05 -0.00 -0.00 -0.04 1.69 1.69 1s10A1 LYS 131 HD3 0.04 -0.07 0.10 -0.04 1.68 1.71 1s10A1 LYS 131 HE2 0.08 -0.01 0.02 -0.04 2.99 3.04 1s10A1 LYS 131 HE3 0.14 0.03 -0.01 -0.04 2.99 3.11 1s10A1 ILE 132 H -0.04 0.60 -0.10 -0.55 8.25 8.16 1s10A1 ILE 132 HA -0.05 -0.01 0.42 -0.75 4.18 3.79 1s10A1 ILE 132 HB -0.09 0.12 0.11 -0.04 1.89 1.99 1s10A1 ILE 132 HG12 -0.06 -0.04 -0.01 -0.04 1.49 1.33 1s10A1 ILE 132 HG13 -0.05 0.20 0.03 -0.04 1.21 1.35 1s10A1 ILE 132 HG23 -0.19 -0.03 -0.07 -0.04 0.93 0.60 1s10A1 ILE 132 HD13 -0.09 -0.03 -0.13 -0.04 0.88 0.59 1s10A1 LEU 133 H -0.04 0.52 -0.19 -0.55 8.37 8.11 1s10A1 LEU 133 HA -0.04 -0.10 0.36 -0.75 4.35 3.81 1s10A1 LEU 133 HB2 -0.04 0.12 0.11 -0.04 1.64 1.79 1s10A1 LEU 133 HB3 -0.02 0.08 0.12 -0.04 1.64 1.78 1s10A1 LEU 133 HG -0.02 0.01 -0.11 -0.04 1.64 1.48 1s10A1 LEU 133 HD13 -0.02 -0.04 -0.23 -0.04 0.93 0.60 1s10A1 LEU 133 HD23 -0.02 -0.01 -0.05 -0.04 0.89 0.77 1s10A1 GLU 134 H -0.01 0.72 -0.04 -0.55 8.60 8.72 1s10A1 GLU 134 HA -0.01 -0.01 0.38 -0.75 4.29 3.90 1s10A1 GLU 134 HB2 0.00 0.07 0.23 -0.04 2.09 2.35 1s10A1 GLU 134 HB3 0.00 -0.05 0.00 -0.04 1.99 1.90 1s10A1 GLU 134 HG2 -0.00 -0.07 0.03 -0.04 2.34 2.26 1s10A1 GLU 134 HG3 -0.00 0.19 0.08 -0.04 2.34 2.56 1s10A1 LYS 135 H -0.01 0.58 -0.01 -0.55 8.42 8.43 1s10A1 LYS 135 HA -0.01 0.04 0.45 -0.75 4.32 4.05 1s10A1 LYS 135 HB2 -0.01 0.02 0.12 -0.04 1.87 1.96 1s10A1 LYS 135 HB3 -0.01 -0.05 -0.01 -0.04 1.79 1.68 1s10A1 LYS 135 HG2 0.01 -0.05 0.07 -0.04 1.46 1.45 1s10A1 LYS 135 HG3 0.01 -0.02 0.02 -0.04 1.46 1.43 1s10A1 LYS 135 HD2 0.00 -0.02 -0.00 -0.04 1.69 1.63 1s10A1 LYS 135 HD3 0.00 0.01 0.01 -0.04 1.68 1.66 1s10A1 LYS 135 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.93 1s10A1 LYS 135 HE3 0.01 -0.00 -0.00 -0.04 2.99 2.95 1s10A1 GLU 136 H -0.03 0.56 0.03 -0.55 8.60 8.61 1s10A1 GLU 136 HA -0.02 0.24 1.04 -0.75 4.29 4.80 1s10A1 GLU 136 HB2 -0.07 0.02 0.06 -0.04 2.09 2.05 1s10A1 GLU 136 HB3 -0.04 -0.05 0.08 -0.04 1.99 1.93 1s10A1 GLU 136 HG2 -0.03 -0.07 -0.34 -0.04 2.34 1.86 1s10A1 GLU 136 HG3 -0.05 -0.06 -0.09 -0.04 2.34 2.10 1s10A1 LYS 137 H -0.03 0.37 -0.00 -0.55 8.42 8.20 1s10A1 LYS 137 HA -0.02 0.11 0.39 -0.75 4.32 4.05 1s10A1 LYS 137 HB2 -0.01 0.19 0.03 -0.04 1.87 2.03 1s10A1 LYS 137 HB3 -0.01 -0.11 0.22 -0.04 1.79 1.84 1s10A1 LYS 137 HG2 -0.01 0.08 -0.25 -0.04 1.46 1.24 1s10A1 LYS 137 HG3 -0.01 -0.06 -0.07 -0.04 1.46 1.29 1s10A1 LYS 137 HD2 -0.00 -0.11 0.01 -0.04 1.69 1.55 1s10A1 LYS 137 HD3 -0.01 -0.06 0.06 -0.04 1.68 1.62 1s10A1 LYS 137 HE2 -0.01 -0.18 -0.01 -0.04 2.99 2.76 1s10A1 LYS 137 HE3 -0.01 0.48 0.17 -0.04 2.99 3.59 1s10A1 ILE 138 H -0.06 0.22 -0.25 -0.55 8.25 7.61 1s10A1 ILE 138 HA -0.06 0.14 0.81 -0.75 4.18 4.32 1s10A1 ILE 138 HB -0.15 -0.02 -0.07 -0.04 1.89 1.61 1s10A1 ILE 138 HG12 -0.04 0.23 -0.37 -0.04 1.49 1.27 1s10A1 ILE 138 HG13 -0.00 -0.06 -0.12 -0.04 1.21 0.99 1s10A1 ILE 138 HG23 -0.16 -0.03 -0.24 -0.04 0.93 0.46 1s10A1 ILE 138 HD13 -0.03 0.00 -0.12 -0.04 0.88 0.70 1s10A1 THR 139 H -0.06 0.14 0.12 -0.55 8.28 7.93 1s10A1 THR 139 HA -0.04 0.19 0.71 -0.75 4.39 4.49 1s10A1 THR 139 HB -0.01 0.04 0.10 -0.04 4.32 4.42 1s10A1 THR 139 HG23 0.00 0.03 -0.02 -0.04 1.22 1.20 1s10A1 VAL 140 H -0.04 0.31 0.24 -0.55 8.24 8.20 1s10A1 VAL 140 HA 0.03 -0.03 0.96 -0.75 4.13 4.32 1s10A1 VAL 140 HB 0.05 0.00 -0.10 -0.04 2.12 2.03 1s10A1 VAL 140 HG13 -0.05 0.01 -0.33 -0.04 0.97 0.56 1s10A1 VAL 140 HG23 -0.05 0.02 -0.24 -0.04 0.95 0.63 1s10A1 THR 141 H -0.04 0.58 0.30 -0.55 8.28 8.58 1s10A1 THR 141 HA -0.03 0.36 0.98 -0.75 4.39 4.94 1s10A1 THR 141 HB -0.02 0.05 0.10 -0.04 4.32 4.40 1s10A1 THR 141 HG23 0.01 0.05 -0.30 -0.04 1.22 0.94 1s10A1 VAL 142 H -0.05 0.61 0.27 -0.55 8.24 8.52 1s10A1 VAL 142 HA -0.08 0.38 1.18 -0.75 4.13 4.86 1s10A1 VAL 142 HB -0.09 -0.03 0.18 -0.04 2.12 2.14 1s10A1 VAL 142 HG13 -0.04 -0.03 -0.18 -0.04 0.97 0.68 1s10A1 VAL 142 HG23 -0.10 0.02 -0.12 -0.04 0.95 0.70 1s10A1 GLY 143 H 0.08 0.69 0.37 -0.55 8.43 9.02 1s10A1 GLY 143 HA2 0.07 0.20 0.94 -0.51 4.01 4.72 1s10A1 GLY 143 HA3 0.17 0.12 0.39 -0.51 4.01 4.18 1s10A1 ILE 144 H 0.05 0.71 0.41 -0.55 8.25 8.87 1s10A1 ILE 144 HA 0.12 0.39 1.23 -0.75 4.18 5.16 1s10A1 ILE 144 HB 0.03 -0.05 0.06 -0.04 1.89 1.89 1s10A1 ILE 144 HG12 0.09 0.04 -0.08 -0.04 1.49 1.50 1s10A1 ILE 144 HG13 0.05 -0.08 -0.56 -0.04 1.21 0.58 1s10A1 ILE 144 HG23 0.16 -0.01 -0.16 -0.04 0.93 0.88 1s10A1 ILE 144 HD13 0.05 -0.03 -0.31 -0.04 0.88 0.55 1s10A1 SER 145 H 0.15 0.56 0.33 -0.55 8.46 8.96 1s10A1 SER 145 HA -0.06 0.17 0.50 -0.75 4.49 4.34 1s10A1 SER 145 HB2 0.08 0.15 -0.34 -0.04 3.95 3.80 1s10A1 SER 145 HB3 0.17 -0.09 -0.19 -0.04 3.93 3.78 1s10A1 LYS 146 H 0.15 0.15 0.18 -0.55 8.42 8.34 1s10A1 LYS 146 HA 0.18 0.37 0.70 -0.75 4.32 4.82 1s10A1 LYS 146 HB2 0.10 0.14 0.14 -0.04 1.87 2.21 1s10A1 LYS 146 HB3 0.16 -0.05 0.14 -0.04 1.79 2.00 1s10A1 LYS 146 HG2 0.07 -0.12 0.14 -0.04 1.46 1.50 1s10A1 LYS 146 HG3 0.12 0.02 -0.08 -0.04 1.46 1.49 1s10A1 LYS 146 HD2 0.02 -0.10 0.04 -0.04 1.69 1.61 1s10A1 LYS 146 HD3 -0.05 0.00 0.02 -0.04 1.68 1.61 1s10A1 LYS 146 HE2 0.06 0.07 -0.02 -0.04 2.99 3.06 1s10A1 LYS 146 HE3 0.05 0.03 0.05 -0.04 2.99 3.07 1s10A1 ASN 147 H 0.20 0.01 -0.07 -0.55 8.53 8.12 1s10A1 ASN 147 HA 0.15 0.28 0.55 -0.75 4.76 4.98 1s10A1 ASN 147 HB2 0.38 -0.10 0.10 -0.04 2.88 3.21 1s10A1 ASN 147 HB3 0.24 0.31 -0.10 -0.04 2.79 3.20 1s10A1 ASN 147 HD21 0.42 -0.00 -0.04 -0.04 7.03 7.37 1s10A1 ASN 147 HD22 0.30 0.29 -0.08 -0.04 7.74 8.21 1s10A1 LYS 148 H 0.15 0.29 0.06 -0.55 8.42 8.36 1s10A1 LYS 148 HA 0.06 0.08 0.30 -0.75 4.32 4.01 1s10A1 LYS 148 HB2 -0.02 0.00 0.06 -0.04 1.87 1.87 1s10A1 LYS 148 HB3 -0.59 0.04 -0.09 -0.04 1.79 1.12 1s10A1 LYS 148 HG2 -0.36 -0.04 -0.08 -0.04 1.46 0.93 1s10A1 LYS 148 HG3 -0.11 0.09 -0.05 -0.04 1.46 1.36 1s10A1 LYS 148 HD2 -1.06 -0.02 -0.08 -0.04 1.69 0.49 1s10A1 LYS 148 HD3 -0.38 -0.02 -0.12 -0.04 1.68 1.12 1s10A1 LYS 148 HE2 -0.10 0.16 -0.24 -0.04 2.99 2.77 1s10A1 LYS 148 HE3 -0.11 -0.07 -0.09 -0.04 2.99 2.67 1s10A1 VAL 149 H -0.14 0.13 -0.15 -0.55 8.24 7.53 1s10A1 VAL 149 HA -0.22 0.12 0.35 -0.75 4.13 3.63 1s10A1 VAL 149 HB -0.62 -0.04 0.03 -0.04 2.12 1.45 1s10A1 VAL 149 HG13 -0.58 0.03 -0.13 -0.04 0.97 0.25 1s10A1 VAL 149 HG23 -0.61 0.02 -0.03 -0.04 0.95 0.29 1s10A1 PHE 150 H -0.01 0.08 -0.23 -0.55 8.34 7.63 1s10A1 PHE 150 HA -0.06 0.13 0.47 -0.75 4.62 4.41 1s10A1 PHE 150 HB2 -0.01 -0.09 0.06 -0.04 3.15 3.08 1s10A1 PHE 150 HB3 -0.02 0.04 0.03 -0.04 3.06 3.07 1s10A1 PHE 150 HD2 -0.04 -0.03 -0.01 -0.04 7.28 7.16 1s10A1 PHE 150 HE2 -0.06 0.05 -0.04 -0.04 7.38 7.29 1s10A1 PHE 150 HZ -0.07 0.07 -0.08 -0.04 7.32 7.20 1s10A1 ALA 151 H 0.09 0.41 -0.38 -0.55 8.40 7.97 1s10A1 ALA 151 HA 0.11 0.00 0.14 -0.75 4.34 3.84 1s10A1 ALA 151 HB3 0.19 0.06 -0.06 -0.04 1.41 1.55 1s10A1 LYS 152 H -0.13 0.53 -0.18 -0.55 8.42 8.08 1s10A1 LYS 152 HA -0.71 0.02 0.36 -0.75 4.32 3.23 1s10A1 LYS 152 HB2 -0.52 0.01 0.07 -0.04 1.87 1.39 1s10A1 LYS 152 HB3 -0.24 0.16 0.13 -0.04 1.79 1.80 1s10A1 LYS 152 HG2 -0.15 0.02 -0.22 -0.04 1.46 1.07 1s10A1 LYS 152 HG3 -0.50 -0.04 -0.03 -0.04 1.46 0.84 1s10A1 LYS 152 HD2 -0.17 -0.02 -0.06 -0.04 1.69 1.39 1s10A1 LYS 152 HD3 -0.13 0.02 -0.04 -0.04 1.68 1.49 1s10A1 LYS 152 HE2 -0.03 -0.03 -0.06 -0.04 2.99 2.83 1s10A1 LYS 152 HE3 -0.03 0.03 -0.08 -0.04 2.99 2.87 1s10A1 ILE 153 H -0.10 0.47 -0.12 -0.55 8.25 7.95 1s10A1 ILE 153 HA -0.03 0.07 0.39 -0.75 4.18 3.86 1s10A1 ILE 153 HB 0.01 -0.02 0.10 -0.04 1.89 1.94 1s10A1 ILE 153 HG12 -0.10 0.13 0.01 -0.04 1.49 1.49 1s10A1 ILE 153 HG13 -0.17 0.01 0.06 -0.04 1.21 1.07 1s10A1 ILE 153 HG23 0.05 -0.00 -0.16 -0.04 0.93 0.78 1s10A1 ILE 153 HD13 -0.47 -0.04 -0.14 -0.04 0.88 0.18 1s10A1 ALA 154 H 0.06 0.47 -0.40 -0.55 8.40 7.99 1s10A1 ALA 154 HA 0.05 0.00 0.29 -0.75 4.34 3.94 1s10A1 ALA 154 HB3 0.07 0.04 0.08 -0.04 1.41 1.56 1s10A1 ALA 155 H 0.13 0.44 -0.26 -0.55 8.40 8.17 1s10A1 ALA 155 HA 0.08 0.04 0.15 -0.75 4.34 3.86 1s10A1 ALA 155 HB3 0.28 0.02 -0.07 -0.04 1.41 1.59 1s10A1 ASP 156 H 0.07 0.54 -0.18 -0.55 8.40 8.29 1s10A1 ASP 156 HA 0.06 -0.05 0.31 -0.75 4.63 4.21 1s10A1 ASP 156 HB2 0.02 0.13 0.12 -0.04 2.71 2.95 1s10A1 ASP 156 HB3 0.03 -0.03 -0.01 -0.04 2.70 2.65 1s10A1 MET 157 H 0.04 0.41 -0.39 -0.55 8.47 7.99 1s10A1 MET 157 HA 0.03 0.04 0.44 -0.75 4.52 4.28 1s10A1 MET 157 HB2 0.03 0.12 0.07 -0.04 2.15 2.33 1s10A1 MET 157 HB3 0.02 -0.07 0.03 -0.04 2.03 1.97 1s10A1 MET 157 HG2 0.02 -0.05 -0.01 -0.04 2.63 2.55 1s10A1 MET 157 HG3 0.03 0.24 0.02 -0.04 2.56 2.82 1s10A1 MET 157 HE3 0.04 0.00 -0.19 -0.04 2.10 1.92 1s10A1 ALA 158 H 0.04 0.31 -0.33 -0.55 8.40 7.87 1s10A1 ALA 158 HA 0.01 0.22 0.88 -0.75 4.34 4.70 1s10A1 ALA 158 HB3 0.02 -0.06 -0.07 -0.04 1.41 1.27 1s10A1 LYS 159 H 0.03 0.28 -0.20 -0.55 8.42 7.99 1s10A1 LYS 159 HA -0.01 -0.05 0.41 -0.75 4.32 3.92 1s10A1 LYS 159 HB2 0.08 -0.12 0.03 -0.04 1.87 1.83 1s10A1 LYS 159 HB3 0.05 -0.07 0.00 -0.04 1.79 1.73 1s10A1 LYS 159 HG2 0.06 0.20 0.08 -0.04 1.46 1.76 1s10A1 LYS 159 HG3 0.08 0.07 -0.00 -0.04 1.46 1.57 1s10A1 LYS 159 HD2 0.08 0.01 -0.02 -0.04 1.69 1.72 1s10A1 LYS 159 HD3 0.14 -0.10 -0.04 -0.04 1.68 1.65 1s10A1 LYS 159 HE2 0.06 -0.04 -0.10 -0.04 2.99 2.87 1s10A1 LYS 159 HE3 0.08 0.03 -0.22 -0.04 2.99 2.84 1s10A1 PRO 160 HA -0.02 -0.03 0.33 -0.51 4.44 4.20 1s10A1 PRO 160 HB2 -0.16 -0.03 0.05 -0.04 2.28 2.10 1s10A1 PRO 160 HB3 -0.37 -0.06 0.08 -0.04 2.02 1.63 1s10A1 PRO 160 HG2 -0.35 0.09 -0.04 -0.04 2.03 1.69 1s10A1 PRO 160 HG3 -1.21 -0.04 0.05 -0.04 2.03 0.78 1s10A1 PRO 160 HD2 -0.23 0.15 0.31 -0.04 3.68 3.87 1s10A1 PRO 160 HD3 -0.39 0.07 0.08 -0.04 3.65 3.37 1s10A1 ASN 161 H -0.00 -0.00 -0.03 -0.55 8.53 7.95 1s10A1 ASN 161 HA -0.02 0.17 0.31 -0.75 4.76 4.47 1s10A1 ASN 161 HB2 -0.01 -0.11 0.00 -0.04 2.88 2.72 1s10A1 ASN 161 HB3 -0.04 0.12 -0.04 -0.04 2.79 2.79 1s10A1 ASN 161 HD21 -0.02 -0.01 0.04 -0.04 7.03 7.00 1s10A1 ASN 161 HD22 -0.02 0.00 0.04 -0.04 7.74 7.72 1s10A1 GLY 162 H -0.02 -0.09 -0.10 -0.55 8.43 7.68 1s10A1 GLY 162 HA2 -0.02 0.20 0.98 -0.51 4.01 4.66 1s10A1 GLY 162 HA3 -0.01 0.34 0.29 -0.51 4.01 4.12 1s10A1 ILE 163 H 0.01 0.36 0.19 -0.55 8.25 8.26 1s10A1 ILE 163 HA -0.03 0.24 0.73 -0.75 4.18 4.37 1s10A1 ILE 163 HB -0.13 0.09 -0.06 -0.04 1.89 1.74 1s10A1 ILE 163 HG12 -0.25 -0.06 -0.22 -0.04 1.49 0.92 1s10A1 ILE 163 HG13 -0.12 -0.00 -0.01 -0.04 1.21 1.03 1s10A1 ILE 163 HG23 -0.06 -0.01 -0.01 -0.04 0.93 0.81 1s10A1 ILE 163 HD13 -0.52 0.00 -0.09 -0.04 0.88 0.23 1s10A1 LYS 164 H 0.03 0.50 0.25 -0.55 8.42 8.65 1s10A1 LYS 164 HA 0.12 0.10 0.73 -0.75 4.32 4.51 1s10A1 LYS 164 HB2 0.04 0.11 -0.05 -0.04 1.87 1.94 1s10A1 LYS 164 HB3 0.04 0.10 -0.04 -0.04 1.79 1.86 1s10A1 LYS 164 HG2 0.02 -0.13 -0.51 -0.04 1.46 0.80 1s10A1 LYS 164 HG3 0.02 -0.04 0.01 -0.04 1.46 1.41 1s10A1 LYS 164 HD2 0.02 0.05 -0.05 -0.04 1.69 1.66 1s10A1 LYS 164 HD3 0.03 0.07 -0.06 -0.04 1.68 1.68 1s10A1 LYS 164 HE2 0.01 0.01 -0.04 -0.04 2.99 2.92 1s10A1 LYS 164 HE3 0.01 -0.09 -0.13 -0.04 2.99 2.74 1s10A1 VAL 165 H 0.04 0.21 0.18 -0.55 8.24 8.12 1s10A1 VAL 165 HA -0.07 0.28 1.05 -0.75 4.13 4.64 1s10A1 VAL 165 HB -0.09 -0.02 0.12 -0.04 2.12 2.10 1s10A1 VAL 165 HG13 -0.53 -0.04 -0.22 -0.04 0.97 0.13 1s10A1 VAL 165 HG23 0.15 0.01 -0.08 -0.04 0.95 0.98 1s10A1 ILE 166 H -0.16 0.78 0.33 -0.55 8.25 8.66 1s10A1 ILE 166 HA -0.09 0.13 0.90 -0.75 4.18 4.37 1s10A1 ILE 166 HB -0.02 -0.01 0.21 -0.04 1.89 2.03 1s10A1 ILE 166 HG12 -0.00 0.04 -0.05 -0.04 1.49 1.43 1s10A1 ILE 166 HG13 0.01 -0.00 -0.16 -0.04 1.21 1.02 1s10A1 ILE 166 HG23 -0.12 -0.00 -0.14 -0.04 0.93 0.63 1s10A1 ILE 166 HD13 0.13 0.06 -0.08 -0.04 0.88 0.94 1s10A1 ASP 167 H -0.14 0.16 0.04 -0.55 8.40 7.91 1s10A1 ASP 167 HA -0.22 0.20 0.60 -0.75 4.63 4.45 1s10A1 ASP 167 HB2 0.12 -0.05 0.22 -0.04 2.71 2.96 1s10A1 ASP 167 HB3 -0.07 0.08 0.08 -0.04 2.70 2.76 1s10A1 ASP 168 H 0.15 0.19 0.19 -0.55 8.40 8.38 1s10A1 ASP 168 HA -0.03 0.12 0.42 -0.75 4.63 4.39 1s10A1 ASP 168 HB2 0.03 -0.02 0.13 -0.04 2.71 2.81 1s10A1 ASP 168 HB3 0.00 0.11 0.09 -0.04 2.70 2.86 1s10A1 GLU 169 H -0.01 0.05 -0.15 -0.55 8.60 7.94 1s10A1 GLU 169 HA -0.03 0.17 0.52 -0.75 4.29 4.20 1s10A1 GLU 169 HB2 -0.01 0.04 0.10 -0.04 2.09 2.18 1s10A1 GLU 169 HB3 -0.02 -0.06 0.09 -0.04 1.99 1.96 1s10A1 GLU 169 HG2 -0.03 0.00 -0.18 -0.04 2.34 2.09 1s10A1 GLU 169 HG3 -0.02 0.04 0.05 -0.04 2.34 2.36 1s10A1 GLU 170 H -0.06 0.04 -0.20 -0.55 8.60 7.83 1s10A1 GLU 170 HA -0.06 0.08 0.44 -0.75 4.29 4.00 1s10A1 GLU 170 HB2 -0.06 -0.02 0.13 -0.04 2.09 2.11 1s10A1 GLU 170 HB3 -0.09 0.01 0.09 -0.04 1.99 1.96 1s10A1 GLU 170 HG2 -0.05 0.01 -0.08 -0.04 2.34 2.17 1s10A1 GLU 170 HG3 -0.04 -0.01 0.10 -0.04 2.34 2.35 1s10A1 VAL 171 H -0.16 0.46 -0.30 -0.55 8.24 7.69 1s10A1 VAL 171 HA -0.58 0.00 0.38 -0.75 4.13 3.18 1s10A1 VAL 171 HB -0.22 0.16 0.14 -0.04 2.12 2.16 1s10A1 VAL 171 HG13 -0.58 0.01 -0.12 -0.04 0.97 0.24 1s10A1 VAL 171 HG23 -0.44 0.03 -0.05 -0.04 0.95 0.45 1s10A1 LYS 172 H -0.12 0.34 -0.28 -0.55 8.42 7.81 1s10A1 LYS 172 HA -0.07 0.08 0.44 -0.75 4.32 4.01 1s10A1 LYS 172 HB2 -0.05 0.10 0.19 -0.04 1.87 2.08 1s10A1 LYS 172 HB3 -0.04 -0.02 0.05 -0.04 1.79 1.75 1s10A1 LYS 172 HG2 -0.05 0.01 0.04 -0.04 1.46 1.42 1s10A1 LYS 172 HG3 -0.07 0.30 0.20 -0.04 1.46 1.85 1s10A1 LYS 172 HD2 -0.03 -0.02 0.00 -0.04 1.69 1.60 1s10A1 LYS 172 HD3 -0.03 -0.07 0.04 -0.04 1.68 1.58 1s10A1 LYS 172 HE2 -0.02 -0.00 0.01 -0.04 2.99 2.94 1s10A1 LYS 172 HE3 -0.02 0.04 0.01 -0.04 2.99 2.98 1s10A1 ARG 173 H -0.06 0.40 -0.06 -0.55 8.46 8.19 1s10A1 ARG 173 HA -0.02 0.04 0.43 -0.75 4.34 4.04 1s10A1 ARG 173 HB2 -0.03 0.01 0.12 -0.04 1.90 1.96 1s10A1 ARG 173 HB3 -0.03 0.06 0.19 -0.04 1.80 1.98 1s10A1 ARG 173 HG2 -0.01 -0.03 -0.16 -0.04 1.67 1.43 1s10A1 ARG 173 HG3 -0.01 0.00 0.04 -0.04 1.67 1.66 1s10A1 ARG 173 HD2 -0.01 0.02 -0.02 -0.04 3.22 3.17 1s10A1 ARG 173 HD3 -0.02 -0.02 0.00 -0.04 3.22 3.14 1s10A1 LEU 174 H -0.06 0.79 -0.08 -0.55 8.37 8.47 1s10A1 LEU 174 HA 0.03 -0.07 0.39 -0.75 4.35 3.94 1s10A1 LEU 174 HB2 -0.03 0.12 0.15 -0.04 1.64 1.84 1s10A1 LEU 174 HB3 0.21 -0.04 -0.01 -0.04 1.64 1.76 1s10A1 LEU 174 HG -0.01 0.10 0.05 -0.04 1.64 1.75 1s10A1 LEU 174 HD13 0.11 -0.02 -0.07 -0.04 0.93 0.90 1s10A1 LEU 174 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.85 1s10A1 ILE 175 H -0.02 0.54 -0.21 -0.55 8.25 8.01 1s10A1 ILE 175 HA 0.09 -0.05 0.37 -0.75 4.18 3.84 1s10A1 ILE 175 HB -0.01 0.17 0.18 -0.04 1.89 2.19 1s10A1 ILE 175 HG12 0.13 -0.08 -0.00 -0.04 1.49 1.49 1s10A1 ILE 175 HG13 0.03 0.07 0.09 -0.04 1.21 1.36 1s10A1 ILE 175 HG23 0.02 -0.00 -0.05 -0.04 0.93 0.86 1s10A1 ILE 175 HD13 -0.01 0.03 -0.01 -0.04 0.88 0.86 1s10A1 ARG 176 H 0.00 0.39 -0.40 -0.55 8.46 7.91 1s10A1 ARG 176 HA 0.01 -0.02 0.72 -0.75 4.34 4.29 1s10A1 ARG 176 HB2 -0.00 0.16 0.23 -0.04 1.90 2.24 1s10A1 ARG 176 HB3 0.00 -0.04 -0.01 -0.04 1.80 1.71 1s10A1 ARG 176 HG2 0.00 -0.05 0.02 -0.04 1.67 1.60 1s10A1 ARG 176 HG3 -0.00 0.05 -0.00 -0.04 1.67 1.67 1s10A1 ARG 176 HD2 -0.00 -0.02 0.00 -0.04 3.22 3.16 1s10A1 ARG 176 HD3 -0.00 -0.03 -0.01 -0.04 3.22 3.14 1s10A1 GLU 177 H 0.01 0.55 0.18 -0.55 8.60 8.79 1s10A1 GLU 177 HA 0.01 0.20 0.90 -0.75 4.29 4.64 1s10A1 GLU 177 HB2 0.01 -0.02 -0.02 -0.04 2.09 2.01 1s10A1 GLU 177 HB3 0.00 -0.04 0.02 -0.04 1.99 1.94 1s10A1 GLU 177 HG2 0.00 0.02 -0.10 -0.04 2.34 2.22 1s10A1 GLU 177 HG3 -0.00 0.01 -0.04 -0.04 2.34 2.28 1s10A1 LEU 178 H 0.03 0.57 0.17 -0.55 8.37 8.59 1s10A1 LEU 178 HA 0.02 -0.01 0.49 -0.75 4.35 4.10 1s10A1 LEU 178 HB2 0.06 -0.09 0.10 -0.04 1.64 1.66 1s10A1 LEU 178 HB3 0.06 0.08 0.04 -0.04 1.64 1.78 1s10A1 LEU 178 HG 0.00 0.17 -0.43 -0.04 1.64 1.34 1s10A1 LEU 178 HD13 0.01 -0.05 0.02 -0.04 0.93 0.88 1s10A1 LEU 178 HD23 0.02 -0.01 -0.16 -0.04 0.89 0.69 1s10A1 ASP 179 H 0.01 0.09 0.20 -0.55 8.40 8.16 1s10A1 ASP 179 HA 0.00 0.29 0.55 -0.75 4.63 4.72 1s10A1 ASP 179 HB2 0.00 0.08 0.19 -0.04 2.71 2.94 1s10A1 ASP 179 HB3 -0.00 -0.07 0.16 -0.04 2.70 2.74 1s10A1 ILE 180 H -0.00 0.54 0.09 -0.55 8.25 8.33 1s10A1 ILE 180 HA -0.02 0.06 0.19 -0.75 4.18 3.66 1s10A1 ILE 180 HB -0.01 -0.03 -0.46 -0.04 1.89 1.35 1s10A1 ILE 180 HG12 -0.01 0.00 -0.09 -0.04 1.49 1.35 1s10A1 ILE 180 HG13 -0.02 -0.03 -0.13 -0.04 1.21 0.99 1s10A1 ILE 180 HG23 -0.00 0.01 -0.31 -0.04 0.93 0.59 1s10A1 ILE 180 HD13 -0.01 0.03 -0.29 -0.04 0.88 0.57 1s10A1 ALA 181 H -0.01 0.08 -0.46 -0.55 8.40 7.46 1s10A1 ALA 181 HA -0.01 0.09 0.37 -0.75 4.34 4.03 1s10A1 ALA 181 HB3 -0.01 0.00 -0.02 -0.04 1.41 1.35 1s10A1 ASP 182 H -0.01 0.48 -0.39 -0.55 8.40 7.92 1s10A1 ASP 182 HA -0.02 0.11 0.51 -0.75 4.63 4.48 1s10A1 ASP 182 HB2 -0.01 0.21 0.03 -0.04 2.71 2.90 1s10A1 ASP 182 HB3 -0.02 -0.05 0.07 -0.04 2.70 2.66 1s10A1 VAL 183 H -0.03 0.34 -0.60 -0.55 8.24 7.40 1s10A1 VAL 183 HA -0.12 0.06 0.52 -0.75 4.13 3.84 1s10A1 VAL 183 HB -0.03 0.15 0.04 -0.04 2.12 2.24 1s10A1 VAL 183 HG13 -0.12 0.02 -0.17 -0.04 0.97 0.65 1s10A1 VAL 183 HG23 -0.11 -0.03 -0.10 -0.04 0.95 0.67 1s10A1 PRO 184 HA -0.03 0.01 0.34 -0.51 4.44 4.25 1s10A1 PRO 184 HB2 -0.03 -0.03 0.00 -0.04 2.28 2.18 1s10A1 PRO 184 HB3 -0.05 0.01 0.02 -0.04 2.02 1.95 1s10A1 PRO 184 HG2 -0.14 -0.01 0.06 -0.04 2.03 1.90 1s10A1 PRO 184 HG3 -0.09 0.08 0.02 -0.04 2.03 1.99 1s10A1 PRO 184 HD2 -0.18 -0.00 0.14 -0.04 3.68 3.59 1s10A1 PRO 184 HD3 -0.13 0.28 0.22 -0.04 3.65 3.98 1s10A1 GLY 185 H -0.03 0.11 0.09 -0.55 8.43 8.05 1s10A1 GLY 185 HA2 -0.07 -0.04 0.29 -0.51 4.01 3.68 1s10A1 GLY 185 HA3 -0.11 0.14 0.58 -0.51 4.01 4.11 1s10A1 ILE 186 H -0.00 0.50 -0.20 -0.55 8.25 8.00 1s10A1 ILE 186 HA 0.00 0.04 0.85 -0.75 4.18 4.33 1s10A1 ILE 186 HB 0.00 0.18 0.17 -0.04 1.89 2.20 1s10A1 ILE 186 HG12 0.07 0.09 -0.29 -0.04 1.49 1.32 1s10A1 ILE 186 HG13 0.02 0.07 -0.07 -0.04 1.21 1.19 1s10A1 ILE 186 HG23 0.00 -0.02 -0.18 -0.04 0.93 0.69 1s10A1 ILE 186 HD13 0.07 0.00 -0.18 -0.04 0.88 0.73 1s10A1 GLY 187 H -0.01 0.09 0.03 -0.55 8.43 7.99 1s10A1 GLY 187 HA2 -0.01 0.28 0.67 -0.51 4.01 4.44 1s10A1 GLY 187 HA3 -0.02 -0.01 0.33 -0.51 4.01 3.80 1s10A1 ASN 188 H -0.01 0.19 0.14 -0.55 8.53 8.30 1s10A1 ASN 188 HA -0.01 0.14 0.38 -0.75 4.76 4.52 1s10A1 ASN 188 HB2 -0.01 -0.03 0.15 -0.04 2.88 2.95 1s10A1 ASN 188 HB3 -0.01 0.06 -0.02 -0.04 2.79 2.78 1s10A1 ASN 188 HD21 -0.01 0.05 0.00 -0.04 7.03 7.04 1s10A1 ASN 188 HD22 -0.01 0.01 0.01 -0.04 7.74 7.71 1s10A1 ILE 189 H -0.01 0.08 -0.10 -0.55 8.25 7.67 1s10A1 ILE 189 HA -0.01 0.13 0.40 -0.75 4.18 3.94 1s10A1 ILE 189 HB -0.01 -0.05 0.07 -0.04 1.89 1.85 1s10A1 ILE 189 HG12 -0.01 0.07 0.02 -0.04 1.49 1.53 1s10A1 ILE 189 HG13 -0.01 -0.09 0.04 -0.04 1.21 1.11 1s10A1 ILE 189 HG23 -0.01 0.03 -0.13 -0.04 0.93 0.77 1s10A1 ILE 189 HD13 -0.01 0.02 0.01 -0.04 0.88 0.86 1s10A1 THR 190 H -0.01 0.02 -0.23 -0.55 8.28 7.51 1s10A1 THR 190 HA -0.01 0.15 0.49 -0.75 4.39 4.27 1s10A1 THR 190 HB -0.00 -0.03 0.11 -0.04 4.32 4.35 1s10A1 THR 190 HG23 0.00 0.03 -0.07 -0.04 1.22 1.14 1s10A1 ALA 191 H -0.01 0.65 -0.15 -0.55 8.40 8.34 1s10A1 ALA 191 HA -0.00 0.01 0.27 -0.75 4.34 3.86 1s10A1 ALA 191 HB3 -0.01 0.03 0.01 -0.04 1.41 1.40 1s10A1 GLU 192 H -0.01 0.48 -0.36 -0.55 8.60 8.17 1s10A1 GLU 192 HA -0.01 0.02 0.47 -0.75 4.29 4.02 1s10A1 GLU 192 HB2 -0.01 0.02 0.09 -0.04 2.09 2.15 1s10A1 GLU 192 HB3 -0.01 0.08 0.11 -0.04 1.99 2.13 1s10A1 GLU 192 HG2 -0.01 -0.03 -0.02 -0.04 2.34 2.25 1s10A1 GLU 192 HG3 -0.01 0.02 -0.13 -0.04 2.34 2.17 1s10A1 LYS 193 H -0.01 0.41 -0.12 -0.55 8.42 8.15 1s10A1 LYS 193 HA -0.01 0.03 0.43 -0.75 4.32 4.01 1s10A1 LYS 193 HB2 -0.01 0.06 0.14 -0.04 1.87 2.01 1s10A1 LYS 193 HB3 -0.02 -0.02 -0.02 -0.04 1.79 1.69 1s10A1 LYS 193 HG2 -0.01 -0.05 0.05 -0.04 1.46 1.41 1s10A1 LYS 193 HG3 -0.01 0.15 0.13 -0.04 1.46 1.68 1s10A1 LYS 193 HD2 -0.02 -0.10 0.02 -0.04 1.69 1.56 1s10A1 LYS 193 HD3 -0.02 0.25 0.06 -0.04 1.68 1.93 1s10A1 LYS 193 HE2 -0.01 -0.03 0.04 -0.04 2.99 2.94 1s10A1 LYS 193 HE3 -0.01 -0.08 0.01 -0.04 2.99 2.86 1s10A1 LEU 194 H -0.01 0.47 -0.33 -0.55 8.37 7.96 1s10A1 LEU 194 HA -0.01 0.04 0.46 -0.75 4.35 4.08 1s10A1 LEU 194 HB2 -0.00 0.10 0.07 -0.04 1.64 1.76 1s10A1 LEU 194 HB3 -0.00 0.03 -0.06 -0.04 1.64 1.56 1s10A1 LEU 194 HG -0.00 0.11 -0.09 -0.04 1.64 1.62 1s10A1 LEU 194 HD13 0.00 -0.03 -0.19 -0.04 0.93 0.67 1s10A1 LEU 194 HD23 -0.01 -0.02 -0.10 -0.04 0.89 0.73 1s10A1 LYS 195 H -0.01 0.54 -0.02 -0.55 8.42 8.38 1s10A1 LYS 195 HA -0.00 0.07 0.31 -0.75 4.32 3.95 1s10A1 LYS 195 HB2 -0.00 0.07 0.15 -0.04 1.87 2.04 1s10A1 LYS 195 HB3 -0.01 0.09 0.13 -0.04 1.79 1.96 1s10A1 LYS 195 HG2 -0.00 -0.01 -0.12 -0.04 1.46 1.28 1s10A1 LYS 195 HG3 -0.00 -0.03 0.01 -0.04 1.46 1.40 1s10A1 LYS 195 HD2 -0.00 -0.01 -0.01 -0.04 1.69 1.62 1s10A1 LYS 195 HD3 -0.00 0.00 -0.02 -0.04 1.68 1.61 1s10A1 LYS 195 HE2 -0.00 -0.00 -0.03 -0.04 2.99 2.91 1s10A1 LYS 195 HE3 -0.00 -0.01 -0.02 -0.04 2.99 2.92 1s10A1 LYS 196 H -0.01 0.42 -0.47 -0.55 8.42 7.81 1s10A1 LYS 196 HA -0.01 0.01 0.34 -0.75 4.32 3.92 1s10A1 LYS 196 HB2 -0.01 0.23 0.14 -0.04 1.87 2.19 1s10A1 LYS 196 HB3 -0.01 0.07 0.01 -0.04 1.79 1.82 1s10A1 LYS 196 HG2 -0.01 -0.03 0.10 -0.04 1.46 1.48 1s10A1 LYS 196 HG3 -0.01 -0.04 0.05 -0.04 1.46 1.42 1s10A1 LYS 196 HD2 -0.01 0.05 -0.02 -0.04 1.69 1.67 1s10A1 LYS 196 HD3 -0.01 -0.04 0.01 -0.04 1.68 1.60 1s10A1 LYS 196 HE2 -0.01 -0.03 -0.00 -0.04 2.99 2.91 1s10A1 LYS 196 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.94 1s10A1 LEU 197 H -0.01 0.53 -0.76 -0.55 8.37 7.59 1s10A1 LEU 197 HA -0.01 0.15 0.88 -0.75 4.35 4.62 1s10A1 LEU 197 HB2 -0.01 0.09 0.13 -0.04 1.64 1.81 1s10A1 LEU 197 HB3 -0.01 -0.11 0.10 -0.04 1.64 1.59 1s10A1 LEU 197 HG -0.02 0.18 -0.14 -0.04 1.64 1.62 1s10A1 LEU 197 HD13 -0.03 -0.04 -0.08 -0.04 0.93 0.75 1s10A1 LEU 197 HD23 -0.02 -0.01 0.01 -0.04 0.89 0.83 1s10A1 GLY 198 H -0.00 0.50 -0.12 -0.55 8.43 8.25 1s10A1 GLY 198 HA2 -0.00 0.03 0.32 -0.51 4.01 3.85 1s10A1 GLY 198 HA3 -0.00 0.09 0.64 -0.51 4.01 4.24 1s10A1 ILE 199 H -0.00 0.25 -0.31 -0.55 8.25 7.64 1s10A1 ILE 199 HA 0.00 -0.00 0.49 -0.75 4.18 3.91 1s10A1 ILE 199 HB -0.00 0.01 0.04 -0.04 1.89 1.89 1s10A1 ILE 199 HG12 0.00 0.00 -0.21 -0.04 1.49 1.25 1s10A1 ILE 199 HG13 -0.00 0.07 -0.21 -0.04 1.21 1.03 1s10A1 ILE 199 HG23 0.00 -0.02 -0.24 -0.04 0.93 0.63 1s10A1 ILE 199 HD13 -0.01 -0.01 -0.07 -0.04 0.88 0.75 1s10A1 ASN 200 H 0.00 0.10 0.25 -0.55 8.53 8.34 1s10A1 ASN 200 HA -0.00 0.15 0.84 -0.75 4.76 5.00 1s10A1 ASN 200 HB2 0.00 0.04 -0.03 -0.04 2.88 2.85 1s10A1 ASN 200 HB3 -0.00 -0.05 0.12 -0.04 2.79 2.81 1s10A1 ASN 200 HD21 -0.00 0.04 -0.03 -0.04 7.03 6.99 1s10A1 ASN 200 HD22 0.00 -0.04 0.00 -0.04 7.74 7.66 1s10A1 LYS 201 H 0.00 0.10 0.20 -0.55 8.42 8.17 1s10A1 LYS 201 HA 0.00 0.35 0.74 -0.75 4.32 4.66 1s10A1 LYS 201 HB2 0.01 -0.21 0.04 -0.04 1.87 1.67 1s10A1 LYS 201 HB3 0.01 0.22 -0.01 -0.04 1.79 1.97 1s10A1 LYS 201 HG2 0.00 -0.27 -0.42 -0.04 1.46 0.73 1s10A1 LYS 201 HG3 0.00 0.07 -0.01 -0.04 1.46 1.49 1s10A1 LYS 201 HD2 0.01 0.09 -0.25 -0.04 1.69 1.50 1s10A1 LYS 201 HD3 0.00 0.19 -0.18 -0.04 1.68 1.66 1s10A1 LYS 201 HE2 0.00 -0.10 -0.10 -0.04 2.99 2.75 1s10A1 LYS 201 HE3 0.00 -0.04 -0.03 -0.04 2.99 2.88 1s10A1 LEU 202 H 0.01 0.34 0.12 -0.55 8.37 8.30 1s10A1 LEU 202 HA -0.01 0.01 0.39 -0.75 4.35 3.98 1s10A1 LEU 202 HB2 0.03 0.15 0.25 -0.04 1.64 2.03 1s10A1 LEU 202 HB3 0.01 -0.02 -0.00 -0.04 1.64 1.59 1s10A1 LEU 202 HG -0.02 -0.01 -0.01 -0.04 1.64 1.56 1s10A1 LEU 202 HD13 0.02 0.01 -0.11 -0.04 0.93 0.81 1s10A1 LEU 202 HD23 -0.09 -0.00 -0.00 -0.04 0.89 0.75 1s10A1 VAL 203 H 0.01 0.69 0.06 -0.55 8.24 8.45 1s10A1 VAL 203 HA 0.01 0.06 0.34 -0.75 4.13 3.78 1s10A1 VAL 203 HB 0.01 0.08 -0.05 -0.04 2.12 2.12 1s10A1 VAL 203 HG13 0.01 0.00 -0.02 -0.04 0.97 0.92 1s10A1 VAL 203 HG23 0.01 -0.01 -0.02 -0.04 0.95 0.89 1s10A1 ASP 204 H 0.01 0.23 -0.46 -0.55 8.40 7.63 1s10A1 ASP 204 HA 0.01 0.04 0.34 -0.75 4.63 4.27 1s10A1 ASP 204 HB2 0.00 0.11 0.11 -0.04 2.71 2.89 1s10A1 ASP 204 HB3 0.00 0.03 0.02 -0.04 2.70 2.70 1s10A1 THR 205 H 0.01 0.59 -0.22 -0.55 8.28 8.11 1s10A1 THR 205 HA 0.02 0.03 0.39 -0.75 4.39 4.08 1s10A1 THR 205 HB 0.04 -0.06 0.05 -0.04 4.32 4.31 1s10A1 THR 205 HG23 0.01 0.00 -0.02 -0.04 1.22 1.17 1s10A1 LEU 206 H 0.02 0.45 -0.35 -0.55 8.37 7.94 1s10A1 LEU 206 HA 0.04 0.08 0.57 -0.75 4.35 4.29 1s10A1 LEU 206 HB2 0.02 0.11 0.06 -0.04 1.64 1.78 1s10A1 LEU 206 HB3 0.02 -0.05 0.05 -0.04 1.64 1.62 1s10A1 LEU 206 HG 0.02 -0.01 -0.03 -0.04 1.64 1.58 1s10A1 LEU 206 HD13 0.01 0.03 -0.08 -0.04 0.93 0.85 1s10A1 LEU 206 HD23 0.02 -0.01 -0.09 -0.04 0.89 0.77 1s10A1 SER 207 H 0.02 0.29 -0.18 -0.55 8.46 8.05 1s10A1 SER 207 HA 0.02 0.17 0.79 -0.75 4.49 4.72 1s10A1 SER 207 HB2 0.01 -0.05 0.10 -0.04 3.95 3.97 1s10A1 SER 207 HB3 0.01 -0.03 0.01 -0.04 3.93 3.88 1s10A1 ILE 208 H 0.03 0.17 -0.24 -0.55 8.25 7.66 1s10A1 ILE 208 HA 0.02 0.08 0.62 -0.75 4.18 4.14 1s10A1 ILE 208 HB 0.01 0.07 0.03 -0.04 1.89 1.96 1s10A1 ILE 208 HG12 -0.01 0.04 -0.09 -0.04 1.49 1.39 1s10A1 ILE 208 HG13 0.00 -0.02 0.07 -0.04 1.21 1.23 1s10A1 ILE 208 HG23 0.02 0.01 -0.12 -0.04 0.93 0.80 1s10A1 ILE 208 HD13 -0.02 0.01 -0.08 -0.04 0.88 0.75 1s10A1 GLU 209 H 0.02 0.13 0.14 -0.55 8.60 8.34 1s10A1 GLU 209 HA 0.06 0.11 0.42 -0.75 4.29 4.13 1s10A1 GLU 209 HB2 0.03 0.12 0.14 -0.04 2.09 2.34 1s10A1 GLU 209 HB3 0.01 -0.02 0.17 -0.04 1.99 2.12 1s10A1 GLU 209 HG2 0.04 -0.38 -0.20 -0.04 2.34 1.76 1s10A1 GLU 209 HG3 0.06 0.06 0.07 -0.04 2.34 2.49 1s10A1 PHE 210 H 0.19 0.20 0.20 -0.55 8.34 8.38 1s10A1 PHE 210 HA 0.01 0.17 0.35 -0.75 4.62 4.39 1s10A1 PHE 210 HB2 0.01 0.14 0.14 -0.04 3.15 3.39 1s10A1 PHE 210 HB3 0.01 -0.05 0.12 -0.04 3.06 3.09 1s10A1 PHE 210 HD2 0.01 0.05 -0.08 -0.04 7.28 7.22 1s10A1 PHE 210 HE2 0.01 0.00 -0.14 -0.04 7.38 7.22 1s10A1 PHE 210 HZ 0.01 0.01 -0.02 -0.04 7.32 7.29 1s10A1 ASP 211 H 0.09 0.13 -0.15 -0.55 8.40 7.92 1s10A1 ASP 211 HA -0.16 0.05 0.38 -0.75 4.63 4.15 1s10A1 ASP 211 HB2 0.01 0.01 0.00 -0.04 2.71 2.70 1s10A1 ASP 211 HB3 -0.01 0.05 0.00 -0.04 2.70 2.71 1s10A1 LYS 212 H -0.04 0.19 -0.41 -0.55 8.42 7.61 1s10A1 LYS 212 HA -0.05 0.08 0.46 -0.75 4.32 4.05 1s10A1 LYS 212 HB2 -0.02 -0.07 0.08 -0.04 1.87 1.82 1s10A1 LYS 212 HB3 -0.03 0.16 0.09 -0.04 1.79 1.97 1s10A1 LYS 212 HG2 -0.03 0.04 -0.18 -0.04 1.46 1.25 1s10A1 LYS 212 HG3 -0.03 -0.01 0.04 -0.04 1.46 1.42 1s10A1 LYS 212 HD2 -0.01 -0.05 0.03 -0.04 1.69 1.62 1s10A1 LYS 212 HD3 -0.01 0.02 0.01 -0.04 1.68 1.66 1s10A1 LYS 212 HE2 -0.02 0.03 0.00 -0.04 2.99 2.96 1s10A1 LYS 212 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.92 1s10A1 LEU 213 H -0.13 0.41 -0.17 -0.55 8.37 7.94 1s10A1 LEU 213 HA -0.08 0.08 0.37 -0.75 4.35 3.96 1s10A1 LEU 213 HB2 -0.06 0.06 0.01 -0.04 1.64 1.60 1s10A1 LEU 213 HB3 -0.24 0.07 0.11 -0.04 1.64 1.54 1s10A1 LEU 213 HG -0.09 -0.08 -0.17 -0.04 1.64 1.26 1s10A1 LEU 213 HD13 -0.03 -0.00 -0.02 -0.04 0.93 0.83 1s10A1 LEU 213 HD23 0.03 0.01 0.00 -0.04 0.89 0.90 1s10A1 LYS 214 H -0.46 0.71 -0.06 -0.55 8.42 8.05 1s10A1 LYS 214 HA -0.23 0.08 0.18 -0.75 4.32 3.59 1s10A1 LYS 214 HB2 -0.88 0.01 -0.02 -0.04 1.87 0.94 1s10A1 LYS 214 HB3 -0.44 0.05 0.08 -0.04 1.79 1.43 1s10A1 LYS 214 HG2 -0.11 0.06 -0.41 -0.04 1.46 0.97 1s10A1 LYS 214 HG3 -0.11 -0.18 -0.19 -0.04 1.46 0.94 1s10A1 LYS 214 HD2 0.08 -0.01 -0.04 -0.04 1.69 1.68 1s10A1 LYS 214 HD3 -0.05 0.03 -0.06 -0.04 1.68 1.56 1s10A1 LYS 214 HE2 -0.01 0.05 -0.07 -0.04 2.99 2.92 1s10A1 LYS 214 HE3 0.02 -0.11 -0.01 -0.04 2.99 2.85 1s10A1 GLY 215 H -0.14 0.63 -0.22 -0.55 8.43 8.16 1s10A1 GLY 215 HA2 -0.06 -0.05 0.33 -0.51 4.01 3.72 1s10A1 GLY 215 HA3 -0.06 0.08 0.31 -0.51 4.01 3.83 1s10A1 MET 216 H -0.08 0.23 -0.68 -0.55 8.47 7.39 1s10A1 MET 216 HA -0.04 0.11 0.72 -0.75 4.52 4.56 1s10A1 MET 216 HB2 -0.04 0.03 0.03 -0.04 2.15 2.13 1s10A1 MET 216 HB3 -0.05 0.08 0.09 -0.04 2.03 2.11 1s10A1 MET 216 HG2 -0.03 0.08 -0.10 -0.04 2.63 2.54 1s10A1 MET 216 HG3 -0.03 -0.07 -0.19 -0.04 2.56 2.24 1s10A1 MET 216 HE3 -0.02 -0.00 -0.00 -0.04 2.10 2.03 1s10A1 ILE 217 H -0.06 0.48 0.08 -0.55 8.25 8.20 1s10A1 ILE 217 HA -0.03 0.22 1.03 -0.75 4.18 4.65 1s10A1 ILE 217 HB -0.01 -0.10 0.13 -0.04 1.89 1.87 1s10A1 ILE 217 HG12 -0.05 0.34 -0.02 -0.04 1.49 1.71 1s10A1 ILE 217 HG13 -0.03 0.05 -0.28 -0.04 1.21 0.91 1s10A1 ILE 217 HG23 -0.02 0.01 -0.17 -0.04 0.93 0.71 1s10A1 ILE 217 HD13 0.01 -0.04 -0.23 -0.04 0.88 0.59 1s10A1 GLY 218 H -0.06 0.61 -0.02 -0.55 8.43 8.41 1s10A1 GLY 218 HA2 -0.03 0.05 0.39 -0.51 4.01 3.91 1s10A1 GLY 218 HA3 -0.02 0.07 0.60 -0.51 4.01 4.15 1s10A1 GLU 219 H -0.01 0.18 0.14 -0.55 8.60 8.36 1s10A1 GLU 219 HA 0.02 0.07 0.40 -0.75 4.29 4.02 1s10A1 GLU 219 HB2 0.05 0.05 0.11 -0.04 2.09 2.26 1s10A1 GLU 219 HB3 0.04 -0.01 0.14 -0.04 1.99 2.12 1s10A1 GLU 219 HG2 0.11 0.01 -0.22 -0.04 2.34 2.20 1s10A1 GLU 219 HG3 0.24 -0.00 0.01 -0.04 2.34 2.55 1s10A1 ALA 220 H 0.03 0.11 -0.07 -0.55 8.40 7.93 1s10A1 ALA 220 HA 0.07 0.09 0.40 -0.75 4.34 4.14 1s10A1 ALA 220 HB3 0.01 0.03 0.06 -0.04 1.41 1.46 1s10A1 LYS 221 H 0.02 0.21 -0.15 -0.55 8.42 7.95 1s10A1 LYS 221 HA 0.10 0.04 0.41 -0.75 4.32 4.12 1s10A1 LYS 221 HB2 0.01 0.15 0.13 -0.04 1.87 2.11 1s10A1 LYS 221 HB3 0.04 0.04 -0.08 -0.04 1.79 1.76 1s10A1 LYS 221 HG2 0.06 0.01 0.01 -0.04 1.46 1.50 1s10A1 LYS 221 HG3 -0.05 -0.06 0.02 -0.04 1.46 1.33 1s10A1 LYS 221 HD2 -0.03 -0.00 0.06 -0.04 1.69 1.68 1s10A1 LYS 221 HD3 -0.01 -0.02 0.06 -0.04 1.68 1.67 1s10A1 LYS 221 HE2 -0.04 0.50 0.20 -0.04 2.99 3.61 1s10A1 LYS 221 HE3 -0.11 -0.08 0.05 -0.04 2.99 2.81 1s10A1 ALA 222 H 0.05 0.40 -0.39 -0.55 8.40 7.91 1s10A1 ALA 222 HA 0.06 0.06 0.37 -0.75 4.34 4.07 1s10A1 ALA 222 HB3 -0.07 0.03 -0.07 -0.04 1.41 1.26 1s10A1 LYS 223 H 0.19 0.56 -0.09 -0.55 8.42 8.53 1s10A1 LYS 223 HA 0.19 0.02 0.42 -0.75 4.32 4.20 1s10A1 LYS 223 HB2 0.15 0.13 0.16 -0.04 1.87 2.27 1s10A1 LYS 223 HB3 0.11 -0.03 -0.02 -0.04 1.79 1.80 1s10A1 LYS 223 HG2 0.04 -0.02 0.02 -0.04 1.46 1.46 1s10A1 LYS 223 HG3 0.33 -0.01 0.03 -0.04 1.46 1.77 1s10A1 LYS 223 HD2 0.13 0.00 -0.07 -0.04 1.69 1.71 1s10A1 LYS 223 HD3 0.06 -0.00 -0.02 -0.04 1.68 1.67 1s10A1 LYS 223 HE2 -0.05 0.01 -0.02 -0.04 2.99 2.89 1s10A1 LYS 223 HE3 0.09 -0.03 -0.02 -0.04 2.99 2.99 1s10A1 TYR 224 H 0.24 0.49 -0.23 -0.55 8.29 8.24 1s10A1 TYR 224 HA 0.11 -0.01 0.37 -0.75 4.56 4.27 1s10A1 TYR 224 HB2 0.06 0.00 0.06 -0.04 3.06 3.14 1s10A1 TYR 224 HB3 0.03 0.10 0.17 -0.04 2.98 3.24 1s10A1 TYR 224 HD2 0.09 0.01 -0.05 -0.04 7.15 7.16 1s10A1 TYR 224 HE2 -0.15 0.03 -0.10 -0.04 6.85 6.59 1s10A1 LEU 225 H 0.15 0.65 -0.12 -0.55 8.37 8.50 1s10A1 LEU 225 HA -0.27 -0.02 0.34 -0.75 4.35 3.66 1s10A1 LEU 225 HB2 0.04 0.10 0.13 -0.04 1.64 1.87 1s10A1 LEU 225 HB3 -0.02 -0.05 -0.02 -0.04 1.64 1.52 1s10A1 LEU 225 HG 0.16 0.13 0.05 -0.04 1.64 1.94 1s10A1 LEU 225 HD13 0.03 -0.02 -0.10 -0.04 0.93 0.81 1s10A1 LEU 225 HD23 -0.07 -0.02 -0.07 -0.04 0.89 0.69 1s10A1 ILE 226 H 0.07 0.65 -0.15 -0.55 8.25 8.28 1s10A1 ILE 226 HA 0.03 0.02 0.37 -0.75 4.18 3.85 1s10A1 ILE 226 HB 0.11 0.05 0.14 -0.04 1.89 2.15 1s10A1 ILE 226 HG12 0.10 0.06 -0.07 -0.04 1.49 1.54 1s10A1 ILE 226 HG13 0.11 -0.01 0.04 -0.04 1.21 1.30 1s10A1 ILE 226 HG23 0.03 -0.02 -0.15 -0.04 0.93 0.76 1s10A1 ILE 226 HD13 0.35 -0.03 -0.08 -0.04 0.88 1.08 1s10A1 SER 227 H 0.05 0.72 -0.14 -0.55 8.46 8.54 1s10A1 SER 227 HA 0.04 0.01 0.23 -0.75 4.49 4.02 1s10A1 SER 227 HB2 0.07 -0.05 -0.14 -0.04 3.95 3.79 1s10A1 SER 227 HB3 0.08 0.15 0.09 -0.04 3.93 4.20 1s10A1 LEU 228 H -0.08 0.52 -0.32 -0.55 8.37 7.94 1s10A1 LEU 228 HA 0.06 -0.11 0.51 -0.75 4.35 4.06 1s10A1 LEU 228 HB2 -0.25 0.20 0.15 -0.04 1.64 1.70 1s10A1 LEU 228 HB3 -0.14 -0.05 -0.02 -0.04 1.64 1.39 1s10A1 LEU 228 HG -0.52 0.08 -0.00 -0.04 1.64 1.15 1s10A1 LEU 228 HD13 -0.90 -0.00 -0.09 -0.04 0.93 -0.11 1s10A1 LEU 228 HD23 -0.52 -0.05 -0.02 -0.04 0.89 0.26 1s10A1 ALA 229 H -0.02 0.66 -0.03 -0.55 8.40 8.46 1s10A1 ALA 229 HA 0.03 -0.05 0.33 -0.75 4.34 3.90 1s10A1 ALA 229 HB3 0.01 0.01 0.00 -0.04 1.41 1.40 1s10A1 ARG 230 H 0.03 0.53 -0.29 -0.55 8.46 8.17 1s10A1 ARG 230 HA 0.01 0.08 0.50 -0.75 4.34 4.18 1s10A1 ARG 230 HB2 0.02 0.01 -0.02 -0.04 1.90 1.86 1s10A1 ARG 230 HB3 0.01 -0.03 0.05 -0.04 1.80 1.79 1s10A1 ARG 230 HG2 0.01 -0.01 -0.02 -0.04 1.67 1.60 1s10A1 ARG 230 HG3 0.02 0.07 -0.06 -0.04 1.67 1.66 1s10A1 ARG 230 HD2 0.01 -0.03 -0.13 -0.04 3.22 3.03 1s10A1 ARG 230 HD3 -0.00 -0.02 -0.04 -0.04 3.22 3.12 1s10A1 ASP 231 H 0.05 0.43 -0.64 -0.55 8.40 7.69 1s10A1 ASP 231 HA 0.08 -0.02 0.34 -0.75 4.63 4.26 1s10A1 ASP 231 HB2 -0.00 0.02 -0.22 -0.04 2.71 2.47 1s10A1 ASP 231 HB3 0.01 0.17 0.09 -0.04 2.70 2.93 1s10A1 GLU 232 H 0.07 0.62 -0.05 -0.55 8.60 8.69 1s10A1 GLU 232 HA 0.04 0.20 0.80 -0.75 4.29 4.58 1s10A1 GLU 232 HB2 0.03 -0.03 -0.04 -0.04 2.09 2.00 1s10A1 GLU 232 HB3 0.01 -0.07 0.09 -0.04 1.99 1.98 1s10A1 GLU 232 HG2 0.01 0.04 -0.11 -0.04 2.34 2.24 1s10A1 GLU 232 HG3 0.02 0.26 -0.38 -0.04 2.34 2.20 1s10A1 TYR 233 H 0.18 0.10 -0.09 -0.55 8.29 7.93 1s10A1 TYR 233 HA 0.01 0.03 0.31 -0.75 4.56 4.15 1s10A1 TYR 233 HB2 -0.04 0.03 -0.16 -0.04 3.06 2.84 1s10A1 TYR 233 HB3 0.03 -0.05 0.03 -0.04 2.98 2.95 1s10A1 TYR 233 HD2 0.02 0.02 -0.14 -0.04 7.15 7.02 1s10A1 TYR 233 HE2 0.12 -0.08 -0.06 -0.04 6.85 6.79 1s10A1 ASN 234 H -0.36 0.22 0.13 -0.55 8.53 7.99 1s10A1 ASN 234 HA -0.18 0.09 0.73 -0.75 4.76 4.65 1s10A1 ASN 234 HB2 -0.06 0.02 0.01 -0.04 2.88 2.81 1s10A1 ASN 234 HB3 -0.07 0.15 -0.11 -0.04 2.79 2.71 1s10A1 ASN 234 HD21 -0.06 -0.03 -0.12 -0.04 7.03 6.78 1s10A1 ASN 234 HD22 -0.06 -0.00 -0.17 -0.04 7.74 7.46 1s10A1 GLU 235 H -0.27 0.23 0.04 -0.55 8.60 8.05 1s10A1 GLU 235 HA -0.19 0.22 0.72 -0.75 4.29 4.28 1s10A1 GLU 235 HB2 -0.22 -0.17 0.03 -0.04 2.09 1.69 1s10A1 GLU 235 HB3 -0.10 0.12 -0.02 -0.04 1.99 1.95 1s10A1 GLU 235 HG2 -0.59 -0.03 -0.26 -0.04 2.34 1.42 1s10A1 GLU 235 HG3 -0.03 -0.04 -0.06 -0.04 2.34 2.16 1s10A1 PRO 236 HA -0.03 0.05 0.55 -0.51 4.44 4.51 1s10A1 PRO 236 HB2 -0.01 0.13 -0.07 -0.04 2.28 2.29 1s10A1 PRO 236 HB3 -0.02 0.02 0.04 -0.04 2.02 2.02 1s10A1 PRO 236 HG2 -0.03 0.02 -0.05 -0.04 2.03 1.93 1s10A1 PRO 236 HG3 -0.03 0.06 -0.00 -0.04 2.03 2.01 1s10A1 PRO 236 HD2 -0.08 0.10 0.16 -0.04 3.68 3.83 1s10A1 PRO 236 HD3 -0.07 0.15 -0.03 -0.04 3.65 3.67 1s10A1 ILE 237 H 0.00 0.10 0.09 -0.55 8.25 7.90 1s10A1 ILE 237 HA -0.02 0.06 0.48 -0.75 4.18 3.94 1s10A1 ILE 237 HB 0.04 -0.05 0.07 -0.04 1.89 1.91 1s10A1 ILE 237 HG12 0.11 -0.02 -0.36 -0.04 1.49 1.18 1s10A1 ILE 237 HG13 0.07 0.02 -0.16 -0.04 1.21 1.10 1s10A1 ILE 237 HG23 0.07 0.04 -0.56 -0.04 0.93 0.44 1s10A1 ILE 237 HD13 0.02 -0.00 -0.18 -0.04 0.88 0.68 1s10A1 ARG 238 H 0.01 0.19 0.06 -0.55 8.46 8.17 1s10A1 ARG 238 HA 0.02 0.17 0.90 -0.75 4.34 4.67 1s10A1 ARG 238 HB2 0.01 0.06 -0.02 -0.04 1.90 1.91 1s10A1 ARG 238 HB3 -0.00 -0.00 -0.24 -0.04 1.80 1.52 1s10A1 ARG 238 HG2 -0.01 -0.01 -0.03 -0.04 1.67 1.58 1s10A1 ARG 238 HG3 0.01 0.02 -0.24 -0.04 1.67 1.43 1s10A1 ARG 238 HD2 -0.01 -0.04 -0.06 -0.04 3.22 3.07 1s10A1 ARG 238 HD3 0.00 0.05 -0.08 -0.04 3.22 3.15 1s10A1 THR 239 H 0.03 0.11 0.12 -0.55 8.28 7.98 1s10A1 THR 239 HA 0.04 0.12 0.56 -0.75 4.39 4.35 1s10A1 THR 239 HB 0.03 -0.05 0.12 -0.04 4.32 4.38 1s10A1 THR 239 HG23 0.03 0.04 -0.01 -0.04 1.22 1.24 1s10A1 ARG 240 H 0.05 0.05 0.30 -0.55 8.46 8.31 1s10A1 ARG 240 HA 0.03 0.16 0.84 -0.75 4.34 4.62 1s10A1 ARG 240 HB2 0.05 0.06 0.19 -0.04 1.90 2.16 1s10A1 ARG 240 HB3 0.05 -0.03 -0.04 -0.04 1.80 1.73 1s10A1 ARG 240 HG2 0.03 -0.02 0.04 -0.04 1.67 1.68 1s10A1 ARG 240 HG3 0.04 0.03 -0.06 -0.04 1.67 1.64 1s10A1 ARG 240 HD2 0.05 0.12 0.04 -0.04 3.22 3.39 1s10A1 ARG 240 HD3 0.04 -0.05 -0.00 -0.04 3.22 3.16 1s10A1 VAL 241 H 0.04 0.25 0.13 -0.55 8.24 8.11 1s10A1 VAL 241 HA 0.05 0.14 0.82 -0.75 4.13 4.39 1s10A1 VAL 241 HB 0.05 -0.04 0.06 -0.04 2.12 2.14 1s10A1 VAL 241 HG13 0.08 0.07 -0.07 -0.04 0.97 1.01 1s10A1 VAL 241 HG23 0.04 0.01 -0.21 -0.04 0.95 0.75 1s10A1 ARG 242 H 0.08 0.15 0.08 -0.55 8.46 8.21 1s10A1 ARG 242 HA 0.08 0.01 0.44 -0.75 4.34 4.12 1s10A1 ARG 242 HB2 0.08 0.02 0.11 -0.04 1.90 2.07 1s10A1 ARG 242 HB3 0.16 0.04 0.04 -0.04 1.80 2.00 1s10A1 ARG 242 HG2 0.21 -0.00 -0.05 -0.04 1.67 1.78 1s10A1 ARG 242 HG3 0.10 -0.11 0.17 -0.04 1.67 1.79 1s10A1 ARG 242 HD2 0.09 0.02 0.00 -0.04 3.22 3.29 1s10A1 ARG 242 HD3 0.10 0.10 0.13 -0.04 3.22 3.51 1s10A1 LYS 243 H 0.06 0.06 0.26 -0.55 8.42 8.24 1s10A1 LYS 243 HA -0.05 0.21 0.96 -0.75 4.32 4.68 1s10A1 LYS 243 HB2 -0.03 -0.02 0.10 -0.04 1.87 1.88 1s10A1 LYS 243 HB3 -0.09 -0.07 0.12 -0.04 1.79 1.71 1s10A1 LYS 243 HG2 -0.01 0.02 -0.03 -0.04 1.46 1.40 1s10A1 LYS 243 HG3 0.01 0.20 -0.06 -0.04 1.46 1.57 1s10A1 LYS 243 HD2 -0.01 -0.01 0.02 -0.04 1.69 1.64 1s10A1 LYS 243 HD3 -0.03 -0.05 0.02 -0.04 1.68 1.57 1s10A1 LYS 243 HE2 -0.01 -0.03 0.00 -0.04 2.99 2.91 1s10A1 LYS 243 HE3 -0.00 0.03 -0.00 -0.04 2.99 2.98 1s10A1 SER 244 H 0.08 0.15 0.18 -0.55 8.46 8.32 1s10A1 SER 244 HA -0.09 0.29 0.77 -0.75 4.49 4.71 1s10A1 SER 244 HB2 -0.02 0.10 0.01 -0.04 3.95 3.99 1s10A1 SER 244 HB3 -0.09 -0.02 -0.26 -0.04 3.93 3.52 1s10A1 ILE 245 H 0.25 0.65 0.32 -0.55 8.25 8.92 1s10A1 ILE 245 HA 0.14 0.10 0.78 -0.75 4.18 4.44 1s10A1 ILE 245 HB 0.25 -0.02 0.02 -0.04 1.89 2.10 1s10A1 ILE 245 HG12 0.11 0.01 0.00 -0.04 1.49 1.57 1s10A1 ILE 245 HG13 0.29 -0.09 -0.66 -0.04 1.21 0.71 1s10A1 ILE 245 HG23 0.09 0.00 -0.15 -0.04 0.93 0.83 1s10A1 ILE 245 HD13 -0.09 0.03 -0.14 -0.04 0.88 0.64 1s10A1 GLY 246 H 0.11 0.28 0.22 -0.55 8.43 8.50 1s10A1 GLY 246 HA2 0.16 0.09 0.65 -0.51 4.01 4.40 1s10A1 GLY 246 HA3 0.06 0.08 0.51 -0.51 4.01 4.14 1s10A1 ARG 247 H 0.06 0.62 0.38 -0.55 8.46 8.97 1s10A1 ARG 247 HA 0.07 0.07 0.72 -0.75 4.34 4.45 1s10A1 ARG 247 HB2 0.11 0.09 -0.14 -0.04 1.90 1.92 1s10A1 ARG 247 HB3 0.12 0.07 0.06 -0.04 1.80 2.01 1s10A1 ARG 247 HG2 0.10 -0.02 -0.04 -0.04 1.67 1.67 1s10A1 ARG 247 HG3 0.08 -0.03 -0.29 -0.04 1.67 1.39 1s10A1 ARG 247 HD2 0.06 -0.00 0.06 -0.04 3.22 3.30 1s10A1 ARG 247 HD3 0.08 0.01 0.04 -0.04 3.22 3.31 1s10A1 ILE 248 H 0.04 0.29 0.18 -0.55 8.25 8.21 1s10A1 ILE 248 HA 0.02 0.17 0.86 -0.75 4.18 4.48 1s10A1 ILE 248 HB 0.01 -0.01 -0.25 -0.04 1.89 1.60 1s10A1 ILE 248 HG12 -0.00 0.02 -0.45 -0.04 1.49 1.01 1s10A1 ILE 248 HG13 -0.01 -0.01 -0.28 -0.04 1.21 0.87 1s10A1 ILE 248 HG23 0.01 -0.00 -0.08 -0.04 0.93 0.81 1s10A1 ILE 248 HD13 -0.01 0.01 -0.32 -0.04 0.88 0.51 1s10A1 VAL 249 H 0.02 0.68 0.31 -0.55 8.24 8.71 1s10A1 VAL 249 HA 0.03 0.19 1.05 -0.75 4.13 4.65 1s10A1 VAL 249 HB 0.10 0.08 0.09 -0.04 2.12 2.34 1s10A1 VAL 249 HG13 0.08 -0.02 -0.14 -0.04 0.97 0.86 1s10A1 VAL 249 HG23 0.12 0.02 -0.02 -0.04 0.95 1.03 1s10A1 THR 250 H -0.00 0.18 0.20 -0.55 8.28 8.11 1s10A1 THR 250 HA -0.10 0.12 0.88 -0.75 4.39 4.54 1s10A1 THR 250 HB -0.03 0.07 0.16 -0.04 4.32 4.49 1s10A1 THR 250 HG23 -0.06 0.03 -0.14 -0.04 1.22 1.00 1s10A1 MET 251 H -0.24 0.71 0.35 -0.55 8.47 8.74 1s10A1 MET 251 HA -0.98 0.07 0.70 -0.75 4.52 3.56 1s10A1 MET 251 HB2 -0.31 0.11 0.00 -0.04 2.15 1.92 1s10A1 MET 251 HB3 -0.56 -0.04 0.08 -0.04 2.03 1.46 1s10A1 MET 251 HG2 -1.76 -0.04 -0.06 -0.04 2.63 0.73 1s10A1 MET 251 HG3 -0.46 -0.01 -0.11 -0.04 2.56 1.94 1s10A1 MET 251 HE3 -0.12 -0.00 -0.23 -0.04 2.10 1.70 1s10A1 LYS 252 H 0.05 0.11 0.17 -0.55 8.42 8.20 1s10A1 LYS 252 HA 0.05 0.08 0.35 -0.75 4.32 4.05 1s10A1 LYS 252 HB2 0.20 -0.01 0.17 -0.04 1.87 2.19 1s10A1 LYS 252 HB3 0.13 -0.04 0.11 -0.04 1.79 1.95 1s10A1 LYS 252 HG2 0.08 -0.05 0.05 -0.04 1.46 1.50 1s10A1 LYS 252 HG3 0.07 -0.00 0.00 -0.04 1.46 1.49 1s10A1 LYS 252 HD2 0.07 0.02 0.15 -0.04 1.69 1.89 1s10A1 LYS 252 HD3 0.08 -0.04 0.08 -0.04 1.68 1.76 1s10A1 LYS 252 HE2 0.06 -0.10 0.07 -0.04 2.99 2.97 1s10A1 LYS 252 HE3 0.07 -0.01 0.15 -0.04 2.99 3.16 1s10A1 ARG 253 H -0.02 0.15 -0.19 -0.55 8.46 7.84 1s10A1 ARG 253 HA 0.01 0.12 0.67 -0.75 4.34 4.38 1s10A1 ARG 253 HB2 0.02 -0.03 0.12 -0.04 1.90 1.96 1s10A1 ARG 253 HB3 0.03 0.06 -0.18 -0.04 1.80 1.67 1s10A1 ARG 253 HG2 0.05 -0.11 -0.02 -0.04 1.67 1.54 1s10A1 ARG 253 HG3 0.02 0.19 -0.16 -0.04 1.67 1.67 1s10A1 ARG 253 HD2 0.02 0.01 -0.01 -0.04 3.22 3.20 1s10A1 ARG 253 HD3 0.04 -0.02 -0.03 -0.04 3.22 3.16 1s10A1 ASN 254 H -0.01 0.06 0.13 -0.55 8.53 8.17 1s10A1 ASN 254 HA -0.05 0.35 0.55 -0.75 4.76 4.86 1s10A1 ASN 254 HB2 -0.01 -0.04 0.06 -0.04 2.88 2.86 1s10A1 ASN 254 HB3 -0.02 -0.10 -0.05 -0.04 2.79 2.58 1s10A1 ASN 254 HD21 -0.00 0.06 0.02 -0.04 7.03 7.06 1s10A1 ASN 254 HD22 -0.00 -0.04 -0.01 -0.04 7.74 7.64 1s10A1 SER 255 H -0.03 0.40 0.37 -0.55 8.46 8.65 1s10A1 SER 255 HA -0.00 0.03 0.46 -0.75 4.49 4.23 1s10A1 SER 255 HB2 0.01 0.26 0.09 -0.04 3.95 4.27 1s10A1 SER 255 HB3 -0.01 0.10 -0.23 -0.04 3.93 3.75 1s10A1 ARG 256 H -0.00 0.16 0.16 -0.55 8.46 8.23 1s10A1 ARG 256 HA -0.01 0.23 0.73 -0.75 4.34 4.53 1s10A1 ARG 256 HB2 -0.00 0.01 0.18 -0.04 1.90 2.05 1s10A1 ARG 256 HB3 -0.01 0.19 0.14 -0.04 1.80 2.08 1s10A1 ARG 256 HG2 -0.01 -0.19 -0.23 -0.04 1.67 1.20 1s10A1 ARG 256 HG3 -0.00 -0.02 -0.03 -0.04 1.67 1.58 1s10A1 ARG 256 HD2 -0.01 0.14 -0.53 -0.04 3.22 2.79 1s10A1 ARG 256 HD3 -0.00 -0.03 -0.10 -0.04 3.22 3.05 1s10A1 ASN 257 H 0.00 0.09 0.04 -0.55 8.53 8.12 1s10A1 ASN 257 HA 0.01 0.17 0.72 -0.75 4.76 4.90 1s10A1 ASN 257 HB2 0.01 0.08 0.12 -0.04 2.88 3.04 1s10A1 ASN 257 HB3 0.02 0.00 0.19 -0.04 2.79 2.96 1s10A1 ASN 257 HD21 0.01 0.04 0.02 -0.04 7.03 7.06 1s10A1 ASN 257 HD22 0.01 0.06 0.04 -0.04 7.74 7.81 1s10A1 LEU 258 H 0.00 0.29 0.15 -0.55 8.37 8.27 1s10A1 LEU 258 HA -0.01 0.09 0.29 -0.75 4.35 3.97 1s10A1 LEU 258 HB2 0.00 0.11 0.13 -0.04 1.64 1.84 1s10A1 LEU 258 HB3 0.01 -0.04 0.13 -0.04 1.64 1.70 1s10A1 LEU 258 HG -0.01 -0.03 -0.17 -0.04 1.64 1.39 1s10A1 LEU 258 HD13 -0.01 0.01 -0.01 -0.04 0.93 0.88 1s10A1 LEU 258 HD23 0.02 0.02 -0.01 -0.04 0.89 0.88 1s10A1 GLU 259 H 0.01 0.13 -0.10 -0.55 8.60 8.09 1s10A1 GLU 259 HA 0.00 0.09 0.41 -0.75 4.29 4.04 1s10A1 GLU 259 HB2 0.02 -0.02 0.04 -0.04 2.09 2.09 1s10A1 GLU 259 HB3 0.02 0.06 0.02 -0.04 1.99 2.06 1s10A1 GLU 259 HG2 0.02 -0.04 0.04 -0.04 2.34 2.32 1s10A1 GLU 259 HG3 0.02 0.05 0.02 -0.04 2.34 2.40 1s10A1 GLU 260 H 0.02 0.12 -0.40 -0.55 8.60 7.79 1s10A1 GLU 260 HA 0.04 0.11 0.53 -0.75 4.29 4.22 1s10A1 GLU 260 HB2 0.03 -0.05 0.06 -0.04 2.09 2.10 1s10A1 GLU 260 HB3 0.03 0.07 0.11 -0.04 1.99 2.16 1s10A1 GLU 260 HG2 0.10 0.04 -0.16 -0.04 2.34 2.27 1s10A1 GLU 260 HG3 0.10 -0.00 0.07 -0.04 2.34 2.47 1s10A1 ILE 261 H 0.01 0.33 -0.17 -0.55 8.25 7.87 1s10A1 ILE 261 HA 0.16 0.10 0.54 -0.75 4.18 4.23 1s10A1 ILE 261 HB -0.03 0.06 0.02 -0.04 1.89 1.90 1s10A1 ILE 261 HG12 -0.01 0.03 -0.14 -0.04 1.49 1.33 1s10A1 ILE 261 HG13 0.01 0.02 -0.16 -0.04 1.21 1.04 1s10A1 ILE 261 HG23 -0.03 -0.02 -0.15 -0.04 0.93 0.69 1s10A1 ILE 261 HD13 -0.02 0.01 -0.31 -0.04 0.88 0.52 1s10A1 LYS 262 H -0.09 0.53 -0.03 -0.55 8.42 8.28 1s10A1 LYS 262 HA -0.50 -0.03 0.32 -0.75 4.32 3.35 1s10A1 LYS 262 HB2 -0.12 0.17 0.12 -0.04 1.87 1.99 1s10A1 LYS 262 HB3 -0.47 -0.05 -0.05 -0.04 1.79 1.18 1s10A1 LYS 262 HG2 -0.29 -0.06 0.02 -0.04 1.46 1.09 1s10A1 LYS 262 HG3 -0.10 0.24 -0.00 -0.04 1.46 1.55 1s10A1 LYS 262 HD2 0.04 -0.00 -0.02 -0.04 1.69 1.66 1s10A1 LYS 262 HD3 0.16 -0.01 -0.03 -0.04 1.68 1.76 1s10A1 LYS 262 HE2 0.10 -0.00 -0.04 -0.04 2.99 3.01 1s10A1 LYS 262 HE3 0.03 -0.05 -0.10 -0.04 2.99 2.83 1s10A1 PRO 263 HA 0.02 0.01 0.40 -0.51 4.44 4.36 1s10A1 PRO 263 HB2 -0.34 0.06 0.01 -0.04 2.28 1.97 1s10A1 PRO 263 HB3 -0.13 0.01 0.06 -0.04 2.02 1.92 1s10A1 PRO 263 HG2 -0.07 0.08 0.06 -0.04 2.03 2.06 1s10A1 PRO 263 HG3 -0.00 -0.01 0.05 -0.04 2.03 2.02 1s10A1 PRO 263 HD2 -0.04 0.23 -0.47 -0.04 3.68 3.36 1s10A1 PRO 263 HD3 -0.06 0.17 0.03 -0.04 3.65 3.75 1s10A1 TYR 264 H 0.02 0.37 -0.25 -0.55 8.29 7.87 1s10A1 TYR 264 HA -0.00 0.04 0.48 -0.75 4.56 4.33 1s10A1 TYR 264 HB2 -0.05 0.13 0.11 -0.04 3.06 3.21 1s10A1 TYR 264 HB3 -0.02 -0.01 -0.03 -0.04 2.98 2.88 1s10A1 TYR 264 HD2 -0.02 0.06 0.05 -0.04 7.15 7.20 1s10A1 TYR 264 HE2 -0.00 0.09 0.08 -0.04 6.85 6.98 1s10A1 LEU 265 H -0.05 0.50 -0.07 -0.55 8.37 8.21 1s10A1 LEU 265 HA -0.00 0.02 0.30 -0.75 4.35 3.92 1s10A1 LEU 265 HB2 -0.11 -0.00 -0.02 -0.04 1.64 1.46 1s10A1 LEU 265 HB3 -0.39 0.10 0.09 -0.04 1.64 1.40 1s10A1 LEU 265 HG -0.06 -0.02 -0.26 -0.04 1.64 1.25 1s10A1 LEU 265 HD13 -0.02 -0.02 -0.06 -0.04 0.93 0.78 1s10A1 LEU 265 HD23 -0.13 -0.01 -0.19 -0.04 0.89 0.53 1s10A1 PHE 266 H -0.20 0.74 -0.10 -0.55 8.34 8.22 1s10A1 PHE 266 HA -0.36 0.01 0.42 -0.75 4.62 3.94 1s10A1 PHE 266 HB2 0.01 0.10 0.08 -0.04 3.15 3.29 1s10A1 PHE 266 HB3 0.05 -0.05 -0.00 -0.04 3.06 3.01 1s10A1 PHE 266 HD2 -0.21 -0.01 -0.12 -0.04 7.28 6.89 1s10A1 PHE 266 HE2 0.02 0.05 -0.04 -0.04 7.38 7.37 1s10A1 PHE 266 HZ 0.10 -0.01 -0.05 -0.04 7.32 7.33 1s10A1 ARG 267 H 0.10 0.55 -0.18 -0.55 8.46 8.39 1s10A1 ARG 267 HA 0.11 -0.02 0.47 -0.75 4.34 4.15 1s10A1 ARG 267 HB2 0.07 0.14 0.22 -0.04 1.90 2.30 1s10A1 ARG 267 HB3 0.07 -0.06 0.03 -0.04 1.80 1.80 1s10A1 ARG 267 HG2 0.04 -0.07 0.06 -0.04 1.67 1.66 1s10A1 ARG 267 HG3 0.04 0.10 0.10 -0.04 1.67 1.87 1s10A1 ARG 267 HD2 0.01 -0.01 0.01 -0.04 3.22 3.19 1s10A1 ARG 267 HD3 -0.02 -0.03 0.00 -0.04 3.22 3.13 1s10A1 ALA 268 H 0.09 0.60 -0.21 -0.55 8.40 8.34 1s10A1 ALA 268 HA 0.11 -0.03 0.34 -0.75 4.34 4.01 1s10A1 ALA 268 HB3 0.07 0.06 0.12 -0.04 1.41 1.62 1s10A1 ILE 269 H 0.10 0.46 -0.26 -0.55 8.25 8.00 1s10A1 ILE 269 HA 0.37 0.01 0.43 -0.75 4.18 4.23 1s10A1 ILE 269 HB -0.11 0.12 0.17 -0.04 1.89 2.03 1s10A1 ILE 269 HG12 0.25 -0.06 -0.04 -0.04 1.49 1.59 1s10A1 ILE 269 HG13 0.08 0.24 0.02 -0.04 1.21 1.50 1s10A1 ILE 269 HG23 0.15 -0.02 -0.17 -0.04 0.93 0.85 1s10A1 ILE 269 HD13 -0.05 -0.04 -0.19 -0.04 0.88 0.57 1s10A1 GLU 270 H 0.14 0.64 -0.04 -0.55 8.60 8.80 1s10A1 GLU 270 HA 0.19 -0.02 0.37 -0.75 4.29 4.07 1s10A1 GLU 270 HB2 0.12 0.13 0.23 -0.04 2.09 2.53 1s10A1 GLU 270 HB3 0.11 -0.03 0.00 -0.04 1.99 2.03 1s10A1 GLU 270 HG2 0.22 0.17 0.07 -0.04 2.34 2.76 1s10A1 GLU 270 HG3 0.13 -0.02 0.01 -0.04 2.34 2.42 1s10A1 GLU 271 H 0.14 0.61 -0.05 -0.55 8.60 8.76 1s10A1 GLU 271 HA 0.16 -0.00 0.39 -0.75 4.29 4.09 1s10A1 GLU 271 HB2 0.13 0.09 0.08 -0.04 2.09 2.34 1s10A1 GLU 271 HB3 0.13 -0.04 0.01 -0.04 1.99 2.04 1s10A1 GLU 271 HG2 0.04 -0.05 0.04 -0.04 2.34 2.33 1s10A1 GLU 271 HG3 0.08 0.18 0.10 -0.04 2.34 2.66 1s10A1 SER 272 H 0.23 0.51 -0.36 -0.55 8.46 8.29 1s10A1 SER 272 HA 0.18 -0.01 0.33 -0.75 4.49 4.24 1s10A1 SER 272 HB2 0.48 0.12 0.19 -0.04 3.95 4.70 1s10A1 SER 272 HB3 0.47 -0.06 -0.07 -0.04 3.93 4.24 1s10A1 TYR 273 H 0.35 0.70 -0.05 -0.55 8.29 8.75 1s10A1 TYR 273 HA -0.10 0.02 0.49 -0.75 4.56 4.21 1s10A1 TYR 273 HB2 0.05 0.13 0.17 -0.04 3.06 3.38 1s10A1 TYR 273 HB3 0.00 -0.06 -0.01 -0.04 2.98 2.88 1s10A1 TYR 273 HD2 -0.06 0.09 0.02 -0.04 7.15 7.16 1s10A1 TYR 273 HE2 -0.34 -0.01 -0.03 -0.04 6.85 6.43 1s10A1 TYR 274 H 0.28 0.49 -0.23 -0.55 8.29 8.27 1s10A1 TYR 274 HA 0.04 -0.02 0.43 -0.75 4.56 4.26 1s10A1 TYR 274 HB2 0.06 -0.05 0.09 -0.04 3.06 3.12 1s10A1 TYR 274 HB3 0.06 0.22 0.21 -0.04 2.98 3.43 1s10A1 TYR 274 HD2 0.02 0.01 -0.01 -0.04 7.15 7.14 1s10A1 TYR 274 HE2 0.01 -0.03 -0.02 -0.04 6.85 6.76 1s10A1 LYS 275 H 0.08 0.40 -0.23 -0.55 8.42 8.11 1s10A1 LYS 275 HA -0.28 0.05 0.44 -0.75 4.32 3.78 1s10A1 LYS 275 HB2 0.03 0.09 0.07 -0.04 1.87 2.02 1s10A1 LYS 275 HB3 -0.01 -0.06 0.04 -0.04 1.79 1.71 1s10A1 LYS 275 HG2 0.10 -0.07 0.01 -0.04 1.46 1.45 1s10A1 LYS 275 HG3 0.18 0.23 0.05 -0.04 1.46 1.87 1s10A1 LYS 275 HD2 0.10 0.01 -0.01 -0.04 1.69 1.75 1s10A1 LYS 275 HD3 0.07 -0.05 0.02 -0.04 1.68 1.68 1s10A1 LYS 275 HE2 0.10 -0.08 -0.00 -0.04 2.99 2.97 1s10A1 LYS 275 HE3 0.12 -0.01 -0.07 -0.04 2.99 2.99 1s10A1 LEU 276 H -0.14 0.34 -0.20 -0.55 8.37 7.82 1s10A1 LEU 276 HA -0.23 -0.02 0.40 -0.75 4.35 3.75 1s10A1 LEU 276 HB2 -0.33 0.06 0.16 -0.04 1.64 1.49 1s10A1 LEU 276 HB3 -0.34 0.14 0.00 -0.04 1.64 1.40 1s10A1 LEU 276 HG -0.26 0.17 0.01 -0.04 1.64 1.52 1s10A1 LEU 276 HD13 -1.12 -0.02 0.00 -0.04 0.93 -0.25 1s10A1 LEU 276 HD23 -0.14 -0.02 -0.09 -0.04 0.89 0.60 1s10A1 ASP 277 H -0.17 0.30 -0.24 -0.55 8.40 7.74 1s10A1 ASP 277 HA -0.12 -0.06 0.36 -0.75 4.63 4.06 1s10A1 ASP 277 HB2 -0.23 0.15 0.02 -0.04 2.71 2.61 1s10A1 ASP 277 HB3 -0.17 0.11 -0.20 -0.04 2.70 2.40 1s10A1 LYS 278 H -0.10 0.09 -0.03 -0.55 8.42 7.83 1s10A1 LYS 278 HA -0.07 -0.06 0.30 -0.75 4.32 3.74 1s10A1 LYS 278 HB2 -0.09 0.36 0.44 -0.04 1.87 2.53 1s10A1 LYS 278 HB3 -0.06 -0.08 0.10 -0.04 1.79 1.71 1s10A1 LYS 278 HG2 -0.07 0.01 -0.48 -0.04 1.46 0.89 1s10A1 LYS 278 HG3 -0.05 -0.02 -0.06 -0.04 1.46 1.30 1s10A1 LYS 278 HD2 -0.04 -0.01 0.01 -0.04 1.69 1.61 1s10A1 LYS 278 HD3 -0.05 -0.05 -0.01 -0.04 1.68 1.53 1s10A1 LYS 278 HE2 -0.04 0.01 -0.06 -0.04 2.99 2.86 1s10A1 LYS 278 HE3 -0.03 0.01 -0.03 -0.04 2.99 2.90 1s10A1 ARG 279 H -0.22 0.49 -0.77 -0.55 8.46 7.40 1s10A1 ARG 279 HA -0.20 0.07 0.57 -0.75 4.34 4.02 1s10A1 ARG 279 HB2 -0.51 0.21 0.08 -0.04 1.90 1.64 1s10A1 ARG 279 HB3 -0.97 -0.10 -0.13 -0.04 1.80 0.55 1s10A1 ARG 279 HG2 -0.32 -0.03 -0.02 -0.04 1.67 1.25 1s10A1 ARG 279 HG3 -0.24 0.05 -0.03 -0.04 1.67 1.40 1s10A1 ARG 279 HD2 -0.82 -0.09 -0.07 -0.04 3.22 2.21 1s10A1 ARG 279 HD3 -0.22 -0.05 -0.01 -0.04 3.22 2.90 1s10A1 ILE 280 H -0.06 0.18 0.15 -0.55 8.25 7.97 1s10A1 ILE 280 HA -0.08 0.25 0.90 -0.75 4.18 4.50 1s10A1 ILE 280 HB 0.04 -0.08 0.16 -0.04 1.89 1.96 1s10A1 ILE 280 HG12 -0.02 0.13 0.00 -0.04 1.49 1.56 1s10A1 ILE 280 HG13 0.00 -0.05 -0.02 -0.04 1.21 1.10 1s10A1 ILE 280 HG23 0.04 0.01 -0.10 -0.04 0.93 0.83 1s10A1 ILE 280 HD13 -0.03 0.02 -0.35 -0.04 0.88 0.47 1s10A1 PRO 281 HA 0.35 0.15 0.54 -0.51 4.44 4.97 1s10A1 PRO 281 HB2 0.32 0.13 0.12 -0.04 2.28 2.82 1s10A1 PRO 281 HB3 0.52 -0.03 -0.06 -0.04 2.02 2.40 1s10A1 PRO 281 HG2 0.00 -0.02 0.12 -0.04 2.03 2.09 1s10A1 PRO 281 HG3 -0.36 0.02 0.05 -0.04 2.03 1.69 1s10A1 PRO 281 HD2 -0.17 0.11 0.26 -0.04 3.68 3.84 1s10A1 PRO 281 HD3 -0.16 0.23 -0.03 -0.04 3.65 3.65 1s10A1 LYS 282 H 0.12 0.60 0.33 -0.55 8.42 8.92 1s10A1 LYS 282 HA 0.10 0.19 0.90 -0.75 4.32 4.75 1s10A1 LYS 282 HB2 0.07 0.05 0.18 -0.04 1.87 2.13 1s10A1 LYS 282 HB3 0.08 0.16 0.18 -0.04 1.79 2.16 1s10A1 LYS 282 HG2 0.08 -0.10 -0.55 -0.04 1.46 0.85 1s10A1 LYS 282 HG3 0.09 0.07 -0.14 -0.04 1.46 1.44 1s10A1 LYS 282 HD2 0.06 0.04 -0.22 -0.04 1.69 1.52 1s10A1 LYS 282 HD3 0.07 -0.10 -0.17 -0.04 1.68 1.44 1s10A1 LYS 282 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.95 1s10A1 LYS 282 HE3 0.04 -0.07 -0.07 -0.04 2.99 2.86 1s10A1 ALA 283 H 0.14 0.41 0.21 -0.55 8.40 8.62 1s10A1 ALA 283 HA 0.17 0.32 1.18 -0.75 4.34 5.25 1s10A1 ALA 283 HB3 0.07 -0.03 -0.09 -0.04 1.41 1.31 1s10A1 ILE 284 H 0.05 0.58 0.36 -0.55 8.25 8.69 1s10A1 ILE 284 HA -0.06 0.25 1.02 -0.75 4.18 4.64 1s10A1 ILE 284 HB 0.36 0.02 -0.08 -0.04 1.89 2.15 1s10A1 ILE 284 HG12 -0.10 -0.01 -0.34 -0.04 1.49 1.00 1s10A1 ILE 284 HG13 -0.65 0.01 0.02 -0.04 1.21 0.54 1s10A1 ILE 284 HG23 0.22 -0.00 -0.01 -0.04 0.93 1.10 1s10A1 ILE 284 HD13 0.21 -0.03 -0.06 -0.04 0.88 0.97 1s10A1 HIS 285 H -0.11 0.66 0.39 -0.55 8.41 8.80 1s10A1 HIS 285 HA -0.05 0.21 1.05 -0.75 4.63 5.09 1s10A1 HIS 285 HB2 -0.09 -0.02 0.02 -0.04 3.26 3.14 1s10A1 HIS 285 HB3 -0.06 0.03 -0.19 -0.04 3.20 2.93 1s10A1 HIS 285 HD2 -0.05 0.02 -0.38 -0.04 6.97 6.52 1s10A1 HIS 285 HE1 -0.03 0.02 -0.14 -0.04 7.75 7.55 1s10A1 VAL 286 H 0.01 0.79 0.39 -0.55 8.24 8.87 1s10A1 VAL 286 HA -0.03 0.23 1.10 -0.75 4.13 4.67 1s10A1 VAL 286 HB -0.01 -0.01 0.13 -0.04 2.12 2.19 1s10A1 VAL 286 HG13 -0.01 0.01 -0.09 -0.04 0.97 0.83 1s10A1 VAL 286 HG23 -0.01 0.04 0.04 -0.04 0.95 0.98 1s10A1 VAL 287 H -0.02 0.64 0.20 -0.55 8.24 8.51 1s10A1 VAL 287 HA -0.00 0.25 1.00 -0.75 4.13 4.63 1s10A1 VAL 287 HB -0.02 -0.05 -0.14 -0.04 2.12 1.87 1s10A1 VAL 287 HG13 -0.02 -0.00 -0.29 -0.04 0.97 0.62 1s10A1 VAL 287 HG23 -0.02 -0.01 -0.40 -0.04 0.95 0.49 1s10A1 ALA 288 H -0.01 0.83 0.36 -0.55 8.40 9.03 1s10A1 ALA 288 HA -0.02 0.26 1.13 -0.75 4.34 4.95 1s10A1 ALA 288 HB3 -0.02 -0.01 0.01 -0.04 1.41 1.35 1s10A1 VAL 289 H -0.03 0.68 0.32 -0.55 8.24 8.67 1s10A1 VAL 289 HA -0.02 0.36 0.95 -0.75 4.13 4.67 1s10A1 VAL 289 HB -0.03 -0.17 0.21 -0.04 2.12 2.09 1s10A1 VAL 289 HG13 -0.02 0.06 -0.10 -0.04 0.97 0.87 1s10A1 VAL 289 HG23 -0.02 0.01 -0.18 -0.04 0.95 0.72 1s10A1 THR 290 H -0.01 0.54 0.11 -0.55 8.28 8.37 1s10A1 THR 290 HA -0.02 0.20 0.69 -0.75 4.39 4.50 1s10A1 THR 290 HB -0.01 -0.07 0.13 -0.04 4.32 4.33 1s10A1 THR 290 HG23 -0.01 0.05 -0.14 -0.04 1.22 1.08 1s10A1 GLU 291 H -0.01 0.49 0.21 -0.55 8.60 8.74 1s10A1 GLU 291 HA -0.01 0.08 0.34 -0.75 4.29 3.95 1s10A1 GLU 291 HB2 -0.00 0.06 0.01 -0.04 2.09 2.11 1s10A1 GLU 291 HB3 -0.01 -0.00 0.04 -0.04 1.99 1.98 1s10A1 GLU 291 HG2 -0.01 0.04 0.21 -0.04 2.34 2.54 1s10A1 GLU 291 HG3 -0.01 0.01 0.03 -0.04 2.34 2.34 1s10A1 ASP 292 H -0.01 0.03 -0.25 -0.55 8.40 7.63 1s10A1 ASP 292 HA -0.00 0.20 0.62 -0.75 4.63 4.69 1s10A1 ASP 292 HB2 -0.00 0.06 0.15 -0.04 2.71 2.88 1s10A1 ASP 292 HB3 -0.00 0.02 0.05 -0.04 2.70 2.72 1s10A1 LEU 293 H -0.01 0.49 -0.70 -0.55 8.37 7.61 1s10A1 LEU 293 HA -0.01 0.11 0.24 -0.75 4.35 3.94 1s10A1 LEU 293 HB2 -0.01 0.13 0.05 -0.04 1.64 1.78 1s10A1 LEU 293 HB3 -0.01 -0.05 0.13 -0.04 1.64 1.67 1s10A1 LEU 293 HG -0.00 -0.03 -0.45 -0.04 1.64 1.11 1s10A1 LEU 293 HD13 0.00 -0.01 -0.05 -0.04 0.93 0.83 1s10A1 LEU 293 HD23 -0.00 0.02 -0.04 -0.04 0.89 0.83 1s10A1 ASP 294 H -0.01 -0.11 -0.36 -0.55 8.40 7.37 1s10A1 ASP 294 HA -0.01 0.15 0.52 -0.75 4.63 4.54 1s10A1 ASP 294 HB2 -0.01 -0.12 -0.00 -0.04 2.71 2.54 1s10A1 ASP 294 HB3 -0.01 0.04 -0.11 -0.04 2.70 2.58 1s10A1 ILE 295 H -0.01 0.20 0.15 -0.55 8.25 8.04 1s10A1 ILE 295 HA -0.01 0.30 1.06 -0.75 4.18 4.78 1s10A1 ILE 295 HB -0.02 -0.03 0.12 -0.04 1.89 1.92 1s10A1 ILE 295 HG12 -0.01 0.02 -0.14 -0.04 1.49 1.32 1s10A1 ILE 295 HG13 -0.01 0.02 -0.28 -0.04 1.21 0.89 1s10A1 ILE 295 HG23 -0.02 -0.01 -0.23 -0.04 0.93 0.64 1s10A1 ILE 295 HD13 -0.01 -0.01 -0.06 -0.04 0.88 0.76 1s10A1 VAL 296 H -0.01 0.70 0.31 -0.55 8.24 8.69 1s10A1 VAL 296 HA -0.01 0.18 0.95 -0.75 4.13 4.50 1s10A1 VAL 296 HB -0.01 -0.03 0.03 -0.04 2.12 2.07 1s10A1 VAL 296 HG13 -0.00 0.03 -0.07 -0.04 0.97 0.88 1s10A1 VAL 296 HG23 -0.01 -0.01 -0.18 -0.04 0.95 0.71 1s10A1 SER 297 H 0.00 0.25 0.19 -0.55 8.46 8.37 1s10A1 SER 297 HA 0.01 0.28 0.98 -0.75 4.49 5.01 1s10A1 SER 297 HB2 0.04 0.08 -0.03 -0.04 3.95 4.00 1s10A1 SER 297 HB3 -0.00 -0.07 -0.31 -0.04 3.93 3.51 1s10A1 ARG 298 H 0.03 0.58 0.33 -0.55 8.46 8.85 1s10A1 ARG 298 HA 0.02 0.12 0.80 -0.75 4.34 4.53 1s10A1 ARG 298 HB2 -0.00 -0.01 0.11 -0.04 1.90 1.96 1s10A1 ARG 298 HB3 -0.02 0.03 0.06 -0.04 1.80 1.83 1s10A1 ARG 298 HG2 0.00 -0.08 -0.48 -0.04 1.67 1.08 1s10A1 ARG 298 HG3 -0.00 -0.00 -0.16 -0.04 1.67 1.47 1s10A1 ARG 298 HD2 -0.01 -0.02 0.05 -0.04 3.22 3.20 1s10A1 ARG 298 HD3 0.00 0.15 0.21 -0.04 3.22 3.54 1s10A1 GLY 299 H -0.08 0.21 0.20 -0.55 8.43 8.23 1s10A1 GLY 299 HA2 -0.24 0.23 1.15 -0.51 4.01 4.64 1s10A1 GLY 299 HA3 -0.85 -0.01 0.37 -0.51 4.01 3.02 1s10A1 ARG 300 H -0.23 0.61 0.40 -0.55 8.46 8.68 1s10A1 ARG 300 HA -0.18 0.13 0.77 -0.75 4.34 4.30 1s10A1 ARG 300 HB2 -0.12 0.04 -0.08 -0.04 1.90 1.69 1s10A1 ARG 300 HB3 -0.03 -0.04 0.02 -0.04 1.80 1.71 1s10A1 ARG 300 HG2 -0.88 0.03 -0.36 -0.04 1.67 0.42 1s10A1 ARG 300 HG3 -0.38 -0.00 0.10 -0.04 1.67 1.35 1s10A1 ARG 300 HD2 -0.21 -0.01 -0.02 -0.04 3.22 2.94 1s10A1 ARG 300 HD3 -0.34 -0.06 -0.07 -0.04 3.22 2.71 1s10A1 THR 301 H -0.20 0.21 0.19 -0.55 8.28 7.92 1s10A1 THR 301 HA 0.03 0.23 1.10 -0.75 4.39 5.00 1s10A1 THR 301 HB -0.07 -0.04 0.08 -0.04 4.32 4.25 1s10A1 THR 301 HG23 0.00 0.02 -0.15 -0.04 1.22 1.04 1s10A1 PHE 302 H 0.22 0.91 0.40 -0.55 8.34 9.32 1s10A1 PHE 302 HA -0.13 0.17 1.00 -0.75 4.62 4.90 1s10A1 PHE 302 HB2 -0.31 0.30 0.17 -0.04 3.15 3.26 1s10A1 PHE 302 HB3 -0.86 -0.11 0.09 -0.04 3.06 2.14 1s10A1 PHE 302 HD2 -0.06 0.10 -0.05 -0.04 7.28 7.23 1s10A1 PHE 302 HE2 0.06 -0.03 -0.09 -0.04 7.38 7.28 1s10A1 PHE 302 HZ 0.05 -0.04 -0.07 -0.04 7.32 7.22 1s10A1 PRO 303 HA 0.03 0.12 0.52 -0.51 4.44 4.61 1s10A1 PRO 303 HB2 0.09 0.01 0.14 -0.04 2.28 2.47 1s10A1 PRO 303 HB3 0.04 0.02 0.11 -0.04 2.02 2.14 1s10A1 PRO 303 HG2 0.23 0.02 0.01 -0.04 2.03 2.24 1s10A1 PRO 303 HG3 0.09 0.02 0.07 -0.04 2.03 2.17 1s10A1 PRO 303 HD2 0.02 0.07 0.24 -0.04 3.68 3.97 1s10A1 PRO 303 HD3 -0.03 0.16 0.15 -0.04 3.65 3.89 1s10A1 HIS 304 H -0.28 0.11 -0.64 -0.55 8.41 7.06 1s10A1 HIS 304 HA 0.07 0.14 0.65 -0.75 4.63 4.73 1s10A1 HIS 304 HB2 0.04 -0.07 0.11 -0.04 3.26 3.31 1s10A1 HIS 304 HB3 0.06 0.03 -0.11 -0.04 3.20 3.14 1s10A1 HIS 304 HD2 0.11 -0.00 -0.12 -0.04 6.97 6.92 1s10A1 HIS 304 HE1 -0.15 -0.08 -0.04 -0.04 7.75 7.43 1s10A1 GLY 305 H 0.17 0.06 0.08 -0.55 8.43 8.19 1s10A1 GLY 305 HA2 0.08 0.22 0.26 -0.51 4.01 4.07 1s10A1 GLY 305 HA3 0.09 -0.03 0.20 -0.51 4.01 3.75 1s10A1 ILE 306 H 0.05 0.63 0.22 -0.55 8.25 8.61 1s10A1 ILE 306 HA -0.10 0.04 0.74 -0.75 4.18 4.11 1s10A1 ILE 306 HB 0.10 0.06 0.10 -0.04 1.89 2.11 1s10A1 ILE 306 HG12 -0.60 -0.06 -0.15 -0.04 1.49 0.64 1s10A1 ILE 306 HG13 -0.03 0.15 -0.09 -0.04 1.21 1.20 1s10A1 ILE 306 HG23 0.09 -0.02 -0.26 -0.04 0.93 0.70 1s10A1 ILE 306 HD13 0.30 0.01 -0.41 -0.04 0.88 0.74 1s10A1 SER 307 H -0.02 0.11 0.13 -0.55 8.46 8.14 1s10A1 SER 307 HA 0.04 0.19 0.48 -0.75 4.49 4.44 1s10A1 SER 307 HB2 -0.04 -0.01 0.14 -0.04 3.95 4.00 1s10A1 SER 307 HB3 -0.02 0.15 0.10 -0.04 3.93 4.12 1s10A1 LYS 308 H -0.14 0.21 0.16 -0.55 8.42 8.09 1s10A1 LYS 308 HA -0.73 0.17 0.35 -0.75 4.32 3.35 1s10A1 LYS 308 HB2 -0.57 0.09 0.13 -0.04 1.87 1.47 1s10A1 LYS 308 HB3 -0.27 -0.02 0.09 -0.04 1.79 1.55 1s10A1 LYS 308 HG2 -0.10 -0.06 -0.11 -0.04 1.46 1.16 1s10A1 LYS 308 HG3 -0.63 0.05 0.01 -0.04 1.46 0.85 1s10A1 LYS 308 HD2 -0.20 -0.01 -0.04 -0.04 1.69 1.39 1s10A1 LYS 308 HD3 -0.02 0.01 -0.05 -0.04 1.68 1.58 1s10A1 LYS 308 HE2 -0.07 0.04 -0.01 -0.04 2.99 2.90 1s10A1 LYS 308 HE3 -0.19 0.00 0.01 -0.04 2.99 2.77 1s10A1 GLU 309 H -0.12 0.09 -0.17 -0.55 8.60 7.86 1s10A1 GLU 309 HA -0.15 0.11 0.40 -0.75 4.29 3.90 1s10A1 GLU 309 HB2 -0.07 -0.02 0.05 -0.04 2.09 2.01 1s10A1 GLU 309 HB3 -0.08 0.06 0.01 -0.04 1.99 1.94 1s10A1 GLU 309 HG2 -0.12 0.07 0.01 -0.04 2.34 2.27 1s10A1 GLU 309 HG3 -0.20 0.03 -0.00 -0.04 2.34 2.13 1s10A1 THR 310 H -0.03 0.06 -0.27 -0.55 8.28 7.48 1s10A1 THR 310 HA 0.02 0.05 0.40 -0.75 4.39 4.11 1s10A1 THR 310 HB -0.08 0.07 0.07 -0.04 4.32 4.33 1s10A1 THR 310 HG23 -0.28 0.03 -0.08 -0.04 1.22 0.84 1s10A1 ALA 311 H 0.05 0.52 -0.33 -0.55 8.40 8.09 1s10A1 ALA 311 HA 0.24 0.02 0.35 -0.75 4.34 4.20 1s10A1 ALA 311 HB3 0.33 0.04 0.01 -0.04 1.41 1.76 1s10A1 TYR 312 H 0.26 0.46 -0.24 -0.55 8.29 8.23 1s10A1 TYR 312 HA 0.15 0.02 0.36 -0.75 4.56 4.33 1s10A1 TYR 312 HB2 -0.11 0.10 0.21 -0.04 3.06 3.22 1s10A1 TYR 312 HB3 -0.16 -0.03 -0.04 -0.04 2.98 2.71 1s10A1 TYR 312 HD2 -0.72 0.13 -0.00 -0.04 7.15 6.53 1s10A1 TYR 312 HE2 -0.55 -0.01 -0.04 -0.04 6.85 6.21 1s10A1 SER 313 H 0.15 0.50 -0.03 -0.55 8.46 8.54 1s10A1 SER 313 HA 0.16 0.04 0.46 -0.75 4.49 4.40 1s10A1 SER 313 HB2 0.10 -0.02 0.01 -0.04 3.95 4.00 1s10A1 SER 313 HB3 0.08 -0.01 0.08 -0.04 3.93 4.04 1s10A1 GLU 314 H 0.15 0.69 -0.09 -0.55 8.60 8.80 1s10A1 GLU 314 HA 0.15 0.01 0.41 -0.75 4.29 4.11 1s10A1 GLU 314 HB2 0.30 0.00 0.08 -0.04 2.09 2.43 1s10A1 GLU 314 HB3 0.22 0.08 0.04 -0.04 1.99 2.30 1s10A1 GLU 314 HG2 0.38 0.03 -0.07 -0.04 2.34 2.64 1s10A1 GLU 314 HG3 0.15 -0.05 -0.15 -0.04 2.34 2.25 1s10A1 SER 315 H 0.16 0.60 -0.28 -0.55 8.46 8.39 1s10A1 SER 315 HA 0.06 -0.00 0.31 -0.75 4.49 4.11 1s10A1 SER 315 HB2 0.05 -0.08 0.00 -0.04 3.95 3.88 1s10A1 SER 315 HB3 0.11 0.10 0.08 -0.04 3.93 4.18 1s10A1 VAL 316 H 0.14 0.42 -0.31 -0.55 8.24 7.94 1s10A1 VAL 316 HA 0.03 0.01 0.48 -0.75 4.13 3.89 1s10A1 VAL 316 HB 0.13 0.18 0.14 -0.04 2.12 2.54 1s10A1 VAL 316 HG13 0.07 -0.02 -0.11 -0.04 0.97 0.87 1s10A1 VAL 316 HG23 0.22 0.03 0.03 -0.04 0.95 1.19 1s10A1 LYS 317 H 0.08 0.42 -0.12 -0.55 8.42 8.25 1s10A1 LYS 317 HA 0.04 0.02 0.45 -0.75 4.32 4.07 1s10A1 LYS 317 HB2 0.06 0.14 0.15 -0.04 1.87 2.18 1s10A1 LYS 317 HB3 0.04 -0.03 0.02 -0.04 1.79 1.78 1s10A1 LYS 317 HG2 0.05 -0.04 0.02 -0.04 1.46 1.46 1s10A1 LYS 317 HG3 0.08 0.15 0.08 -0.04 1.46 1.73 1s10A1 LYS 317 HD2 0.09 -0.00 -0.03 -0.04 1.69 1.71 1s10A1 LYS 317 HD3 0.05 -0.01 -0.01 -0.04 1.68 1.67 1s10A1 LYS 317 HE2 0.06 -0.02 -0.03 -0.04 2.99 2.97 1s10A1 LYS 317 HE3 0.08 -0.01 -0.08 -0.04 2.99 2.94 1s10A1 LEU 318 H 0.04 0.56 -0.17 -0.55 8.37 8.26 1s10A1 LEU 318 HA 0.00 0.04 0.42 -0.75 4.35 4.06 1s10A1 LEU 318 HB2 0.02 0.08 0.10 -0.04 1.64 1.79 1s10A1 LEU 318 HB3 -0.01 0.01 0.01 -0.04 1.64 1.61 1s10A1 LEU 318 HG 0.03 0.09 -0.05 -0.04 1.64 1.67 1s10A1 LEU 318 HD13 0.00 0.00 -0.13 -0.04 0.93 0.76 1s10A1 LEU 318 HD23 -0.03 -0.02 -0.32 -0.04 0.89 0.47 1s10A1 LEU 319 H 0.01 0.51 -0.21 -0.55 8.37 8.14 1s10A1 LEU 319 HA -0.01 0.02 0.44 -0.75 4.35 4.05 1s10A1 LEU 319 HB2 -0.02 0.03 0.10 -0.04 1.64 1.72 1s10A1 LEU 319 HB3 -0.01 0.10 0.20 -0.04 1.64 1.88 1s10A1 LEU 319 HG -0.02 -0.02 -0.28 -0.04 1.64 1.29 1s10A1 LEU 319 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.84 1s10A1 LEU 319 HD23 -0.06 -0.02 -0.07 -0.04 0.89 0.70 1s10A1 GLN 320 H 0.01 0.59 -0.19 -0.55 8.47 8.33 1s10A1 GLN 320 HA 0.00 -0.03 0.43 -0.75 4.36 4.02 1s10A1 GLN 320 HB2 0.02 0.17 0.19 -0.04 2.15 2.48 1s10A1 GLN 320 HB3 0.01 -0.04 0.01 -0.04 2.02 1.96 1s10A1 GLN 320 HG2 0.01 -0.10 0.05 -0.04 2.40 2.33 1s10A1 GLN 320 HG3 0.02 0.22 0.07 -0.04 2.39 2.67 1s10A1 GLN 320 HE21 0.02 -0.01 -0.00 -0.04 6.97 6.94 1s10A1 GLN 320 HE22 0.01 -0.03 0.02 -0.04 7.69 7.65 1s10A1 LYS 321 H 0.01 0.44 -0.31 -0.55 8.42 8.00 1s10A1 LYS 321 HA 0.00 0.01 0.38 -0.75 4.32 3.96 1s10A1 LYS 321 HB2 0.00 0.07 0.13 -0.04 1.87 2.04 1s10A1 LYS 321 HB3 -0.00 0.11 0.09 -0.04 1.79 1.95 1s10A1 LYS 321 HG2 -0.00 -0.01 -0.03 -0.04 1.46 1.37 1s10A1 LYS 321 HG3 -0.00 -0.03 0.04 -0.04 1.46 1.42 1s10A1 LYS 321 HD2 -0.01 -0.01 -0.00 -0.04 1.69 1.62 1s10A1 LYS 321 HD3 -0.01 -0.02 0.00 -0.04 1.68 1.61 1s10A1 LYS 321 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 1s10A1 LYS 321 HE3 -0.02 0.00 -0.03 -0.04 2.99 2.90 1s10A1 ILE 322 H -0.00 0.39 -0.31 -0.55 8.25 7.78 1s10A1 ILE 322 HA -0.00 0.02 0.36 -0.75 4.18 3.80 1s10A1 ILE 322 HB -0.01 0.14 0.16 -0.04 1.89 2.14 1s10A1 ILE 322 HG12 -0.00 -0.06 -0.16 -0.04 1.49 1.23 1s10A1 ILE 322 HG13 -0.00 0.18 0.01 -0.04 1.21 1.35 1s10A1 ILE 322 HG23 -0.01 -0.02 -0.21 -0.04 0.93 0.65 1s10A1 ILE 322 HD13 -0.01 -0.02 -0.12 -0.04 0.88 0.69 1s10A1 LEU 323 H -0.00 0.52 -0.03 -0.55 8.37 8.32 1s10A1 LEU 323 HA -0.01 0.11 0.49 -0.75 4.35 4.19 1s10A1 LEU 323 HB2 -0.00 0.03 0.21 -0.04 1.64 1.84 1s10A1 LEU 323 HB3 -0.00 -0.01 0.01 -0.04 1.64 1.59 1s10A1 LEU 323 HG -0.00 0.07 0.08 -0.04 1.64 1.74 1s10A1 LEU 323 HD13 -0.01 -0.00 0.01 -0.04 0.93 0.89 1s10A1 LEU 323 HD23 -0.01 -0.02 -0.11 -0.04 0.89 0.72 1s10A1 GLU 324 H 0.00 0.66 -0.12 -0.55 8.60 8.59 1s10A1 GLU 324 HA 0.00 0.00 0.41 -0.75 4.29 3.95 1s10A1 GLU 324 HB2 0.00 0.09 0.09 -0.04 2.09 2.23 1s10A1 GLU 324 HB3 0.00 -0.07 0.05 -0.04 1.99 1.93 1s10A1 GLU 324 HG2 0.00 -0.07 0.03 -0.04 2.34 2.26 1s10A1 GLU 324 HG3 0.00 0.12 0.08 -0.04 2.34 2.50 1s10A1 GLU 325 H -0.00 0.30 -0.46 -0.55 8.60 7.89 1s10A1 GLU 325 HA -0.00 0.14 0.95 -0.75 4.29 4.62 1s10A1 GLU 325 HB2 -0.00 0.13 0.10 -0.04 2.09 2.27 1s10A1 GLU 325 HB3 -0.00 -0.11 0.11 -0.04 1.99 1.95 1s10A1 GLU 325 HG2 -0.00 -0.04 -0.01 -0.04 2.34 2.24 1s10A1 GLU 325 HG3 -0.00 -0.01 -0.19 -0.04 2.34 2.09 1s10A1 ASP 326 H -0.00 0.52 -0.05 -0.55 8.40 8.32 1s10A1 ASP 326 HA -0.00 0.05 0.85 -0.75 4.63 4.77 1s10A1 ASP 326 HB2 -0.01 0.00 -0.08 -0.04 2.71 2.59 1s10A1 ASP 326 HB3 -0.01 0.09 0.07 -0.04 2.70 2.81 1s10A1 GLU 327 H -0.00 0.09 0.11 -0.55 8.60 8.24 1s10A1 GLU 327 HA -0.00 0.31 0.78 -0.75 4.29 4.62 1s10A1 GLU 327 HB2 -0.00 -0.01 0.13 -0.04 2.09 2.16 1s10A1 GLU 327 HB3 -0.00 0.05 0.02 -0.04 1.99 2.01 1s10A1 GLU 327 HG2 -0.00 -0.05 0.05 -0.04 2.34 2.30 1s10A1 GLU 327 HG3 -0.00 -0.04 -0.17 -0.04 2.34 2.09 1s10A1 ARG 328 H -0.01 0.00 -0.17 -0.55 8.46 7.74 1s10A1 ARG 328 HA -0.01 0.08 0.55 -0.75 4.34 4.21 1s10A1 ARG 328 HB2 -0.01 0.02 0.04 -0.04 1.90 1.91 1s10A1 ARG 328 HB3 -0.01 -0.07 0.13 -0.04 1.80 1.81 1s10A1 ARG 328 HG2 -0.01 0.03 0.03 -0.04 1.67 1.68 1s10A1 ARG 328 HG3 -0.01 -0.03 0.01 -0.04 1.67 1.61 1s10A1 ARG 328 HD2 -0.01 -0.14 0.02 -0.04 3.22 3.05 1s10A1 ARG 328 HD3 -0.01 0.05 0.01 -0.04 3.22 3.23 1s10A1 LYS 329 H -0.01 0.03 0.17 -0.55 8.42 8.06 1s10A1 LYS 329 HA -0.01 0.18 0.45 -0.75 4.32 4.19 1s10A1 LYS 329 HB2 -0.01 -0.07 0.05 -0.04 1.87 1.80 1s10A1 LYS 329 HB3 -0.01 -0.04 -0.03 -0.04 1.79 1.67 1s10A1 LYS 329 HG2 -0.01 -0.00 -0.10 -0.04 1.46 1.31 1s10A1 LYS 329 HG3 -0.00 0.03 -0.00 -0.04 1.46 1.45 1s10A1 LYS 329 HD2 -0.00 -0.01 -0.05 -0.04 1.69 1.59 1s10A1 LYS 329 HD3 -0.00 0.02 -0.22 -0.04 1.68 1.43 1s10A1 LYS 329 HE2 -0.00 -0.03 -0.05 -0.04 2.99 2.87 1s10A1 LYS 329 HE3 -0.00 0.02 -0.03 -0.04 2.99 2.94 1s10A1 ILE 330 H -0.02 0.61 0.28 -0.55 8.25 8.57 1s10A1 ILE 330 HA -0.03 0.10 0.89 -0.75 4.18 4.39 1s10A1 ILE 330 HB -0.04 0.09 0.14 -0.04 1.89 2.04 1s10A1 ILE 330 HG12 -0.02 -0.03 -0.18 -0.04 1.49 1.21 1s10A1 ILE 330 HG13 -0.02 0.02 -0.22 -0.04 1.21 0.95 1s10A1 ILE 330 HG23 -0.05 -0.03 -0.15 -0.04 0.93 0.67 1s10A1 ILE 330 HD13 -0.02 -0.00 -0.06 -0.04 0.88 0.76 1s10A1 ARG 331 H -0.04 0.75 0.37 -0.55 8.46 8.98 1s10A1 ARG 331 HA -0.06 0.09 0.76 -0.75 4.34 4.37 1s10A1 ARG 331 HB2 -0.03 -0.08 -0.12 -0.04 1.90 1.63 1s10A1 ARG 331 HB3 -0.03 0.14 -0.03 -0.04 1.80 1.83 1s10A1 ARG 331 HG2 -0.04 -0.03 -0.20 -0.04 1.67 1.35 1s10A1 ARG 331 HG3 -0.02 -0.01 -0.00 -0.04 1.67 1.59 1s10A1 ARG 331 HD2 -0.01 0.04 -0.01 -0.04 3.22 3.21 1s10A1 ARG 331 HD3 -0.02 0.04 -0.07 -0.04 3.22 3.13 1s10A1 ARG 332 H -0.05 0.37 0.36 -0.55 8.46 8.59 1s10A1 ARG 332 HA -0.10 0.25 1.07 -0.75 4.34 4.81 1s10A1 ARG 332 HB2 -0.03 -0.09 0.03 -0.04 1.90 1.76 1s10A1 ARG 332 HB3 -0.04 0.08 -0.12 -0.04 1.80 1.68 1s10A1 ARG 332 HG2 -0.05 0.04 -0.20 -0.04 1.67 1.42 1s10A1 ARG 332 HG3 -0.04 -0.07 -0.25 -0.04 1.67 1.27 1s10A1 ARG 332 HD2 -0.02 0.00 -0.10 -0.04 3.22 3.05 1s10A1 ARG 332 HD3 -0.02 -0.00 -0.11 -0.04 3.22 3.05 1s10A1 ILE 333 H -0.06 0.64 0.36 -0.55 8.25 8.64 1s10A1 ILE 333 HA -0.03 0.26 1.07 -0.75 4.18 4.72 1s10A1 ILE 333 HB -0.05 -0.01 -0.18 -0.04 1.89 1.60 1s10A1 ILE 333 HG12 -0.03 -0.06 -0.07 -0.04 1.49 1.29 1s10A1 ILE 333 HG13 -0.02 0.04 -0.07 -0.04 1.21 1.13 1s10A1 ILE 333 HG23 -0.01 0.01 -0.11 -0.04 0.93 0.78 1s10A1 ILE 333 HD13 -0.03 0.04 0.01 -0.04 0.88 0.86 1s10A1 GLY 334 H -0.01 0.56 0.41 -0.55 8.43 8.84 1s10A1 GLY 334 HA2 0.02 0.07 0.72 -0.51 4.01 4.31 1s10A1 GLY 334 HA3 0.01 0.05 0.65 -0.51 4.01 4.21 1s10A1 VAL 335 H 0.01 0.60 0.45 -0.55 8.24 8.75 1s10A1 VAL 335 HA -0.09 0.30 1.16 -0.75 4.13 4.75 1s10A1 VAL 335 HB -0.04 -0.00 -0.09 -0.04 2.12 1.94 1s10A1 VAL 335 HG13 0.11 -0.03 -0.12 -0.04 0.97 0.89 1s10A1 VAL 335 HG23 -0.57 0.02 -0.01 -0.04 0.95 0.36 1s10A1 ARG 336 H -0.26 0.57 0.36 -0.55 8.46 8.58 1s10A1 ARG 336 HA -0.05 0.13 0.80 -0.75 4.34 4.47 1s10A1 ARG 336 HB2 -0.05 0.00 -0.28 -0.04 1.90 1.54 1s10A1 ARG 336 HB3 -0.06 -0.04 -0.03 -0.04 1.80 1.63 1s10A1 ARG 336 HG2 -0.09 -0.02 -0.25 -0.04 1.67 1.27 1s10A1 ARG 336 HG3 -0.00 0.07 -0.16 -0.04 1.67 1.53 1s10A1 ARG 336 HD2 -0.03 -0.01 -0.19 -0.04 3.22 2.96 1s10A1 ARG 336 HD3 -0.07 -0.01 -0.18 -0.04 3.22 2.92 1s10A1 PHE 337 H 0.15 0.80 0.38 -0.55 8.34 9.12 1s10A1 PHE 337 HA 0.11 0.28 1.09 -0.75 4.62 5.34 1s10A1 PHE 337 HB2 0.13 0.05 0.18 -0.04 3.15 3.47 1s10A1 PHE 337 HB3 0.15 0.02 0.11 -0.04 3.06 3.30 1s10A1 PHE 337 HD2 0.07 0.13 0.01 -0.04 7.28 7.45 1s10A1 PHE 337 HE2 0.19 -0.02 -0.05 -0.04 7.38 7.46 1s10A1 PHE 337 HZ 0.31 -0.04 -0.06 -0.04 7.32 7.49 1s10A1 SER 338 H 0.15 0.55 0.29 -0.55 8.46 8.91 1s10A1 SER 338 HA -0.76 0.19 0.60 -0.75 4.49 3.76 1s10A1 SER 338 HB2 -0.23 -0.02 0.24 -0.04 3.95 3.90 1s10A1 SER 338 HB3 -0.13 0.03 -0.15 -0.04 3.93 3.64 1s10A1 LYS 339 H -0.34 0.27 0.20 -0.55 8.42 8.00 1s10A1 LYS 339 HA -0.11 0.08 0.39 -0.75 4.32 3.93 1s10A1 LYS 339 HB2 0.01 -0.03 0.07 -0.04 1.87 1.88 1s10A1 LYS 339 HB3 0.00 0.08 0.17 -0.04 1.79 2.00 1s10A1 LYS 339 HG2 -0.03 0.05 0.04 -0.04 1.46 1.48 1s10A1 LYS 339 HG3 -0.03 -0.07 -0.09 -0.04 1.46 1.23 1s10A1 LYS 339 HD2 0.03 -0.02 -0.11 -0.04 1.69 1.54 1s10A1 LYS 339 HD3 0.01 0.05 -0.04 -0.04 1.68 1.65 1s10A1 LYS 339 HE2 0.01 0.02 -0.05 -0.04 2.99 2.93 1s10A1 LYS 339 HE3 0.04 -0.02 -0.09 -0.04 2.99 2.87 1s10A1 PHE 340 H -0.31 0.08 -0.02 -0.55 8.34 7.54 1s10A1 PHE 340 HA 0.02 0.19 0.40 -0.75 4.62 4.47 1s10A1 PHE 340 HB2 0.01 0.00 -0.01 -0.04 3.15 3.12 1s10A1 PHE 340 HB3 0.00 0.04 -0.05 -0.04 3.06 3.02 1s10A1 PHE 340 HD2 0.01 0.05 -0.29 -0.04 7.28 7.01 1s10A1 PHE 340 HE2 0.03 -0.02 -0.40 -0.04 7.38 6.95 1s10A1 PHE 340 HZ 0.04 -0.07 -0.32 -0.04 7.32 6.93 1s10A1 ILE 341 H 0.16 0.47 0.22 -0.55 8.25 8.55 1s10A1 ILE 341 HA 0.08 0.14 0.35 -0.75 4.18 4.00 1s10A1 ILE 341 HB 0.06 -0.04 0.17 -0.04 1.89 2.04 1s10A1 ILE 341 HG12 0.07 0.02 -0.03 -0.04 1.49 1.51 1s10A1 ILE 341 HG13 0.09 0.13 -0.04 -0.04 1.21 1.35 1s10A1 ILE 341 HG23 0.04 -0.00 0.05 -0.04 0.93 0.98 1s10A1 ILE 341 HD13 0.06 -0.04 0.00 -0.04 0.88 0.86