============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 18 1.000 -4.233 16.448 2.713 -99.200 -91.000 PHE 23 1.000 -2.359 17.572 7.551 -99.200 -91.000 TYR 46 0.840 -21.966 11.544 -4.113 -99.200 -91.000 PHE 63 1.000 -5.963 11.412 2.710 -99.200 -91.000 PHE 73 1.000 -9.032 9.573 -2.956 -99.200 -91.000 TYR 74 0.840 -5.701 2.793 -2.111 -99.200 -91.000 TYR 80 0.840 -2.565 14.777 -6.290 -99.200 -91.000 TYR 87 0.840 -0.522 11.516 -10.913 -99.200 -91.000 TYR 92 0.840 -2.317 9.002 -19.815 -99.200 -91.000 TYR 104 0.840 14.594 25.575 -12.135 -99.200 -91.000 TYR 110 0.840 14.549 37.406 -7.138 -99.200 -91.000 PHE 122 1.000 15.477 24.227 -5.159 -99.200 -91.000 HIS 123 0.900 7.668 20.279 -3.551 -99.200 -91.000 TYR 129 0.840 14.619 16.081 -5.688 -99.200 -91.000 TYR 136 0.840 12.949 27.018 7.727 -99.200 -91.000 PHE 139 1.000 8.299 24.090 6.503 -99.200 -91.000 TYR 144 0.840 2.839 22.173 6.127 -99.200 -91.000 HIS 154 0.900 23.890 26.559 -3.781 -99.200 -91.000 TYR 160 0.840 18.266 17.799 -9.939 -99.200 -91.000 PHE 186 1.000 11.809 35.540 -11.340 -99.200 -91.000 PHE 193 1.000 -2.009 30.620 -6.651 -99.200 -91.000 TYR 196 0.840 -3.573 30.224 8.028 -99.200 -91.000 HIS 199 0.900 6.006 29.136 5.093 -99.200 -91.000 HIS 207 0.900 -0.448 25.087 -16.423 -99.200 -91.000 TYR 210 0.840 -12.036 26.898 -13.621 -99.200 -91.000 TYR 215 0.840 -5.442 19.233 -18.946 -99.200 -91.000 HIS 219 0.900 -9.498 10.902 -19.102 -99.200 -91.000 TYR 220 0.840 -12.720 10.367 -15.292 -99.200 -91.000 PHE 243 1.000 -15.567 24.023 -10.860 -99.200 -91.000 TYR 245 0.840 -24.672 23.237 -6.931 -99.200 -91.000 PHE 247 1.000 -21.261 24.592 -0.411 -99.200 -91.000 HIS 259 0.900 -12.972 36.000 -5.496 -99.200 -91.000 HIS 268 0.900 -8.862 23.926 9.821 -99.200 -91.000 TYR 275 0.840 -22.249 21.528 8.304 -99.200 -91.000 PHE 281 1.000 -22.003 11.486 1.532 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b30A1 LYS 17 HA 0.06 0.05 0.21 -0.75 4.32 3.89 2b30A1 LYS 17 HB2 0.08 -0.10 0.11 -0.04 1.87 1.92 2b30A1 LYS 17 HB3 0.09 0.07 -0.09 -0.04 1.79 1.82 2b30A1 LYS 17 HG2 0.04 0.02 0.05 -0.04 1.46 1.53 2b30A1 LYS 17 HG3 0.04 -0.02 0.05 -0.04 1.46 1.49 2b30A1 LYS 17 HD2 0.05 0.03 0.02 -0.04 1.69 1.75 2b30A1 LYS 17 HD3 0.03 -0.00 0.02 -0.04 1.68 1.69 2b30A1 LYS 17 HE2 0.04 -0.07 0.02 -0.04 2.99 2.95 2b30A1 LYS 17 HE3 0.07 0.05 0.02 -0.04 2.99 3.09 2b30A1 VAL 18 H 0.10 0.17 0.10 -0.55 8.24 8.06 2b30A1 VAL 18 HA 0.28 0.13 0.26 -0.75 4.13 4.04 2b30A1 VAL 18 HB 0.05 -0.06 0.13 -0.04 2.12 2.20 2b30A1 VAL 18 HG13 -0.18 0.02 -0.19 -0.04 0.97 0.58 2b30A1 VAL 18 HG23 0.23 0.01 -0.01 -0.04 0.95 1.14 2b30A1 GLU 19 H 0.02 0.10 0.01 -0.55 8.60 8.19 2b30A1 GLU 19 HA -0.01 0.16 0.40 -0.75 4.29 4.08 2b30A1 GLU 19 HB2 -0.02 0.08 0.03 -0.04 2.09 2.14 2b30A1 GLU 19 HB3 -0.05 0.01 0.06 -0.04 1.99 1.96 2b30A1 GLU 19 HG2 0.01 -0.09 0.05 -0.04 2.34 2.27 2b30A1 GLU 19 HG3 0.01 0.05 -0.12 -0.04 2.34 2.23 2b30A1 GLU 20 H 0.05 0.05 -0.54 -0.55 8.60 7.61 2b30A1 GLU 20 HA 0.04 0.06 0.53 -0.75 4.29 4.17 2b30A1 GLU 20 HB2 0.06 0.17 0.06 -0.04 2.09 2.34 2b30A1 GLU 20 HB3 0.04 -0.00 0.01 -0.04 1.99 2.00 2b30A1 GLU 20 HG2 0.03 -0.08 -0.05 -0.04 2.34 2.20 2b30A1 GLU 20 HG3 0.04 0.15 -0.01 -0.04 2.34 2.48 2b30A1 ALA 21 H 0.12 0.70 -0.05 -0.55 8.40 8.63 2b30A1 ALA 21 HA 0.10 0.01 0.34 -0.75 4.34 4.03 2b30A1 ALA 21 HB3 0.17 0.00 0.09 -0.04 1.41 1.63 2b30A1 LEU 22 H 0.13 0.15 -0.85 -0.55 8.37 7.25 2b30A1 LEU 22 HA 0.13 0.13 0.72 -0.75 4.35 4.58 2b30A1 LEU 22 HB2 0.00 0.05 -0.00 -0.04 1.64 1.65 2b30A1 LEU 22 HB3 -0.09 -0.06 0.09 -0.04 1.64 1.54 2b30A1 LEU 22 HG 0.25 0.11 -0.18 -0.04 1.64 1.77 2b30A1 LEU 22 HD13 -0.19 -0.04 -0.24 -0.04 0.93 0.42 2b30A1 LEU 22 HD23 0.05 -0.01 -0.08 -0.04 0.89 0.81 2b30A1 LYS 23 H 0.10 0.53 -0.15 -0.55 8.42 8.34 2b30A1 LYS 23 HA 0.03 -0.03 0.33 -0.75 4.32 3.89 2b30A1 LYS 23 HB2 0.09 0.20 0.09 -0.04 1.87 2.22 2b30A1 LYS 23 HB3 0.16 -0.01 -0.13 -0.04 1.79 1.78 2b30A1 LYS 23 HG2 0.09 -0.02 0.01 -0.04 1.46 1.50 2b30A1 LYS 23 HG3 0.05 -0.04 -0.01 -0.04 1.46 1.42 2b30A1 LYS 23 HD2 0.05 0.01 -0.00 -0.04 1.69 1.71 2b30A1 LYS 23 HD3 0.07 0.02 -0.02 -0.04 1.68 1.71 2b30A1 LYS 23 HE2 0.05 -0.01 -0.01 -0.04 2.99 2.97 2b30A1 LYS 23 HE3 0.04 -0.03 -0.01 -0.04 2.99 2.95 2b30A1 GLY 24 H 0.00 0.11 0.24 -0.55 8.43 8.23 2b30A1 GLY 24 HA2 0.01 0.01 0.33 -0.51 4.01 3.84 2b30A1 GLY 24 HA3 0.03 -0.01 0.35 -0.51 4.01 3.87 2b30A1 ALA 25 H -0.10 0.43 0.02 -0.55 8.40 8.20 2b30A1 ALA 25 HA -0.09 0.03 0.51 -0.75 4.34 4.04 2b30A1 ALA 25 HB3 -0.71 0.00 0.06 -0.04 1.41 0.71 2b30A1 ASP 26 H 0.02 0.17 0.09 -0.55 8.40 8.13 2b30A1 ASP 26 HA 0.01 0.19 0.71 -0.75 4.63 4.79 2b30A1 ASP 26 HB2 0.03 0.04 0.04 -0.04 2.71 2.78 2b30A1 ASP 26 HB3 0.05 -0.06 0.15 -0.04 2.70 2.79 2b30A1 ILE 27 H -0.00 0.27 -0.29 -0.55 8.25 7.68 2b30A1 ILE 27 HA 0.06 0.06 0.34 -0.75 4.18 3.88 2b30A1 ILE 27 HB 0.05 0.04 0.03 -0.04 1.89 1.97 2b30A1 ILE 27 HG12 -0.03 0.00 -0.24 -0.04 1.49 1.19 2b30A1 ILE 27 HG13 -0.19 -0.06 -0.17 -0.04 1.21 0.75 2b30A1 ILE 27 HG23 0.05 -0.01 -0.21 -0.04 0.93 0.71 2b30A1 ILE 27 HD13 -0.19 0.00 -0.05 -0.04 0.88 0.61 2b30A1 LYS 28 H 0.08 0.48 0.43 -0.55 8.42 8.86 2b30A1 LYS 28 HA 0.08 0.20 0.86 -0.75 4.32 4.71 2b30A1 LYS 28 HB2 0.05 -0.04 0.14 -0.04 1.87 1.98 2b30A1 LYS 28 HB3 0.02 -0.04 0.16 -0.04 1.79 1.89 2b30A1 LYS 28 HG2 -0.03 0.05 0.01 -0.04 1.46 1.44 2b30A1 LYS 28 HG3 0.03 0.11 -0.39 -0.04 1.46 1.16 2b30A1 LYS 28 HD2 0.03 -0.05 0.04 -0.04 1.69 1.66 2b30A1 LYS 28 HD3 0.01 -0.02 0.03 -0.04 1.68 1.66 2b30A1 LYS 28 HE2 -0.01 0.00 -0.01 -0.04 2.99 2.93 2b30A1 LYS 28 HE3 0.01 0.06 -0.05 -0.04 2.99 2.96 2b30A1 LEU 29 H 0.07 0.33 0.29 -0.55 8.37 8.51 2b30A1 LEU 29 HA 0.05 0.30 0.98 -0.75 4.35 4.93 2b30A1 LEU 29 HB2 0.03 -0.01 -0.13 -0.04 1.64 1.50 2b30A1 LEU 29 HB3 -0.02 -0.10 0.01 -0.04 1.64 1.49 2b30A1 LEU 29 HG 0.02 0.04 -0.12 -0.04 1.64 1.54 2b30A1 LEU 29 HD13 0.02 -0.03 -0.20 -0.04 0.93 0.68 2b30A1 LEU 29 HD23 0.02 0.04 -0.27 -0.04 0.89 0.63 2b30A1 LEU 30 H 0.02 0.83 0.31 -0.55 8.37 8.98 2b30A1 LEU 30 HA -0.05 0.25 0.99 -0.75 4.35 4.78 2b30A1 LEU 30 HB2 -0.06 -0.07 0.12 -0.04 1.64 1.59 2b30A1 LEU 30 HB3 -0.10 -0.06 -0.05 -0.04 1.64 1.40 2b30A1 LEU 30 HG -0.03 0.08 -0.18 -0.04 1.64 1.47 2b30A1 LEU 30 HD13 -0.21 -0.01 -0.12 -0.04 0.93 0.54 2b30A1 LEU 30 HD23 -0.26 0.02 -0.20 -0.04 0.89 0.41 2b30A1 LEU 31 H -0.05 0.89 0.33 -0.55 8.37 8.99 2b30A1 LEU 31 HA -0.01 0.34 0.98 -0.75 4.35 4.91 2b30A1 LEU 31 HB2 -0.09 -0.01 0.11 -0.04 1.64 1.62 2b30A1 LEU 31 HB3 -0.03 -0.12 -0.04 -0.04 1.64 1.42 2b30A1 LEU 31 HG -0.11 0.08 -0.30 -0.04 1.64 1.27 2b30A1 LEU 31 HD13 -0.25 -0.02 -0.17 -0.04 0.93 0.45 2b30A1 LEU 31 HD23 -0.01 0.01 -0.21 -0.04 0.89 0.64 2b30A1 ILE 32 H 0.03 0.54 0.29 -0.55 8.25 8.56 2b30A1 ILE 32 HA 0.02 0.13 0.78 -0.75 4.18 4.36 2b30A1 ILE 32 HB 0.07 -0.05 0.02 -0.04 1.89 1.89 2b30A1 ILE 32 HG12 -0.03 0.04 -0.30 -0.04 1.49 1.16 2b30A1 ILE 32 HG13 -0.02 0.06 -0.38 -0.04 1.21 0.82 2b30A1 ILE 32 HG23 0.04 0.05 -0.11 -0.04 0.93 0.87 2b30A1 ILE 32 HD13 -0.05 0.00 -0.15 -0.04 0.88 0.64 2b30A1 ASP 33 H 0.04 0.48 0.34 -0.55 8.40 8.72 2b30A1 ASP 33 HA 0.07 0.30 0.77 -0.75 4.63 5.03 2b30A1 ASP 33 HB2 0.03 0.07 0.31 -0.04 2.71 3.07 2b30A1 ASP 33 HB3 0.03 -0.02 0.16 -0.04 2.70 2.83 2b30A1 PHE 34 H 0.19 0.08 0.16 -0.55 8.34 8.22 2b30A1 PHE 34 HA 0.04 0.21 0.75 -0.75 4.62 4.85 2b30A1 PHE 34 HB2 0.02 0.07 0.03 -0.04 3.15 3.23 2b30A1 PHE 34 HB3 -0.03 -0.19 0.20 -0.04 3.06 3.00 2b30A1 PHE 34 HD2 -0.12 -0.02 -0.08 -0.04 7.28 7.02 2b30A1 PHE 34 HE2 -0.89 0.09 -0.12 -0.04 7.38 6.43 2b30A1 PHE 34 HZ -0.45 0.12 -0.17 -0.04 7.32 6.78 2b30A1 ASP 35 H 0.19 0.03 0.16 -0.55 8.40 8.23 2b30A1 ASP 35 HA 0.11 0.30 0.37 -0.75 4.63 4.66 2b30A1 ASP 35 HB2 0.09 -0.13 0.11 -0.04 2.71 2.74 2b30A1 ASP 35 HB3 0.17 0.11 0.01 -0.04 2.70 2.95 2b30A1 GLY 36 H 0.12 0.64 0.24 -0.55 8.43 8.88 2b30A1 GLY 36 HA2 -0.31 0.06 0.35 -0.51 4.01 3.60 2b30A1 GLY 36 HA3 -0.19 0.01 0.53 -0.51 4.01 3.85 2b30A1 THR 37 H -0.01 0.27 -0.70 -0.55 8.28 7.29 2b30A1 THR 37 HA -0.01 0.08 0.78 -0.75 4.39 4.49 2b30A1 THR 37 HB 0.01 0.14 -0.20 -0.04 4.32 4.23 2b30A1 THR 37 HG23 0.01 0.00 -0.18 -0.04 1.22 1.01 2b30A1 LEU 38 H -0.05 0.44 0.18 -0.55 8.37 8.39 2b30A1 LEU 38 HA -0.05 0.02 0.63 -0.75 4.35 4.19 2b30A1 LEU 38 HB2 0.01 0.12 0.11 -0.04 1.64 1.84 2b30A1 LEU 38 HB3 -0.24 -0.07 0.16 -0.04 1.64 1.45 2b30A1 LEU 38 HG -0.03 -0.00 -0.11 -0.04 1.64 1.46 2b30A1 LEU 38 HD13 0.05 -0.01 -0.04 -0.04 0.93 0.88 2b30A1 LEU 38 HD23 0.33 0.01 -0.12 -0.04 0.89 1.07 2b30A1 PHE 39 H -0.28 0.51 0.05 -0.55 8.34 8.06 2b30A1 PHE 39 HA -0.36 0.33 0.63 -0.75 4.62 4.47 2b30A1 PHE 39 HB2 -1.79 0.02 -0.18 -0.04 3.15 1.16 2b30A1 PHE 39 HB3 -0.65 -0.21 -0.22 -0.04 3.06 1.94 2b30A1 PHE 39 HD2 -0.12 -0.05 -0.41 -0.04 7.28 6.65 2b30A1 PHE 39 HE2 0.03 0.06 -0.20 -0.04 7.38 7.23 2b30A1 PHE 39 HZ 0.02 0.06 -0.36 -0.04 7.32 6.99 2b30A1 VAL 40 H -0.67 0.88 0.21 -0.55 8.24 8.11 2b30A1 VAL 40 HA -0.07 -0.01 0.36 -0.75 4.13 3.66 2b30A1 VAL 40 HB -0.37 -0.03 0.11 -0.04 2.12 1.78 2b30A1 VAL 40 HG13 -0.47 -0.03 -0.12 -0.04 0.97 0.32 2b30A1 VAL 40 HG23 -0.37 0.04 -0.17 -0.04 0.95 0.41 2b30A1 ASP 41 H -0.55 0.22 0.18 -0.55 8.40 7.70 2b30A1 ASP 41 HA 0.07 0.17 0.41 -0.75 4.63 4.52 2b30A1 ASP 41 HB2 -0.06 -0.05 0.22 -0.04 2.71 2.79 2b30A1 ASP 41 HB3 -0.04 0.19 0.02 -0.04 2.70 2.83 2b30A1 LYS 42 H -0.05 0.18 0.16 -0.55 8.42 8.16 2b30A1 LYS 42 HA 0.07 0.13 0.33 -0.75 4.32 4.09 2b30A1 LYS 42 HB2 -0.02 0.17 0.11 -0.04 1.87 2.08 2b30A1 LYS 42 HB3 -0.06 0.05 0.22 -0.04 1.79 1.95 2b30A1 LYS 42 HG2 -0.05 -0.21 0.13 -0.04 1.46 1.29 2b30A1 LYS 42 HG3 -0.03 0.04 -0.05 -0.04 1.46 1.38 2b30A1 LYS 42 HD2 -0.04 0.07 0.01 -0.04 1.69 1.68 2b30A1 LYS 42 HD3 -0.08 0.00 0.06 -0.04 1.68 1.62 2b30A1 LYS 42 HE2 -0.03 0.01 0.01 -0.04 2.99 2.94 2b30A1 LYS 42 HE3 -0.04 -0.00 0.00 -0.04 2.99 2.91 2b30A1 ASP 43 H -0.08 -0.04 -0.16 -0.55 8.40 7.57 2b30A1 ASP 43 HA -0.05 0.18 0.30 -0.75 4.63 4.31 2b30A1 ASP 43 HB2 -0.07 -0.05 0.03 -0.04 2.71 2.57 2b30A1 ASP 43 HB3 -0.05 0.07 0.00 -0.04 2.70 2.68 2b30A1 ILE 44 H -0.16 -0.07 -0.05 -0.55 8.25 7.42 2b30A1 ILE 44 HA -0.13 0.12 0.43 -0.75 4.18 3.85 2b30A1 ILE 44 HB -0.25 -0.14 0.07 -0.04 1.89 1.53 2b30A1 ILE 44 HG12 -0.12 0.06 0.02 -0.04 1.49 1.41 2b30A1 ILE 44 HG13 -0.12 -0.06 -0.01 -0.04 1.21 0.98 2b30A1 ILE 44 HG23 -0.21 0.03 -0.15 -0.04 0.93 0.56 2b30A1 ILE 44 HD13 -0.14 -0.00 -0.00 -0.04 0.88 0.69 2b30A1 LYS 45 H -0.41 0.30 -0.25 -0.55 8.42 7.50 2b30A1 LYS 45 HA -1.30 0.04 0.26 -0.75 4.32 2.57 2b30A1 LYS 45 HB2 -0.10 0.15 0.06 -0.04 1.87 1.94 2b30A1 LYS 45 HB3 -0.00 0.07 0.17 -0.04 1.79 1.99 2b30A1 LYS 45 HG2 0.03 -0.01 -0.01 -0.04 1.46 1.42 2b30A1 LYS 45 HG3 -0.07 0.06 -0.32 -0.04 1.46 1.09 2b30A1 LYS 45 HD2 0.05 -0.05 0.00 -0.04 1.69 1.65 2b30A1 LYS 45 HD3 0.15 0.15 0.06 -0.04 1.68 2.01 2b30A1 LYS 45 HE2 0.09 0.01 0.07 -0.04 2.99 3.12 2b30A1 LYS 45 HE3 0.03 -0.01 0.05 -0.04 2.99 3.03 2b30A1 VAL 46 H -0.10 0.29 0.19 -0.55 8.24 8.08 2b30A1 VAL 46 HA -0.21 0.25 1.03 -0.75 4.13 4.45 2b30A1 VAL 46 HB 0.13 0.04 0.15 -0.04 2.12 2.39 2b30A1 VAL 46 HG13 0.09 0.05 -0.10 -0.04 0.97 0.98 2b30A1 VAL 46 HG23 -0.14 -0.01 -0.21 -0.04 0.95 0.55 2b30A1 PRO 47 HA -0.07 0.09 0.49 -0.51 4.44 4.44 2b30A1 PRO 47 HB2 -0.05 -0.23 0.10 -0.04 2.28 2.06 2b30A1 PRO 47 HB3 -0.07 0.06 0.13 -0.04 2.02 2.11 2b30A1 PRO 47 HG2 -0.12 0.08 0.16 -0.04 2.03 2.11 2b30A1 PRO 47 HG3 -0.14 0.06 0.12 -0.04 2.03 2.02 2b30A1 PRO 47 HD2 -0.14 0.31 0.35 -0.04 3.68 4.16 2b30A1 PRO 47 HD3 -0.22 0.20 0.04 -0.04 3.65 3.63 2b30A1 SER 48 H -0.02 0.20 0.23 -0.55 8.46 8.32 2b30A1 SER 48 HA 0.01 0.14 0.47 -0.75 4.49 4.36 2b30A1 SER 48 HB2 0.00 0.04 0.07 -0.04 3.95 4.03 2b30A1 SER 48 HB3 -0.00 0.09 0.17 -0.04 3.93 4.15 2b30A1 GLU 49 H -0.01 0.09 -0.20 -0.55 8.60 7.94 2b30A1 GLU 49 HA 0.00 0.14 0.43 -0.75 4.29 4.10 2b30A1 GLU 49 HB2 -0.01 -0.05 -0.03 -0.04 2.09 1.96 2b30A1 GLU 49 HB3 0.00 0.07 0.03 -0.04 1.99 2.05 2b30A1 GLU 49 HG2 -0.01 0.10 0.00 -0.04 2.34 2.39 2b30A1 GLU 49 HG3 -0.01 -0.01 0.03 -0.04 2.34 2.31 2b30A1 ASN 50 H -0.00 0.23 -0.25 -0.55 8.53 7.96 2b30A1 ASN 50 HA 0.01 -0.01 0.47 -0.75 4.76 4.47 2b30A1 ASN 50 HB2 0.01 0.28 0.09 -0.04 2.88 3.23 2b30A1 ASN 50 HB3 0.04 0.01 -0.02 -0.04 2.79 2.78 2b30A1 ASN 50 HD21 -0.04 -0.04 0.15 -0.04 7.03 7.06 2b30A1 ASN 50 HD22 -0.04 0.25 0.19 -0.04 7.74 8.09 2b30A1 ILE 51 H 0.04 0.34 -0.20 -0.55 8.25 7.88 2b30A1 ILE 51 HA 0.04 0.03 0.38 -0.75 4.18 3.88 2b30A1 ILE 51 HB 0.04 0.06 0.17 -0.04 1.89 2.12 2b30A1 ILE 51 HG12 0.09 0.01 0.04 -0.04 1.49 1.59 2b30A1 ILE 51 HG13 0.10 -0.02 0.01 -0.04 1.21 1.25 2b30A1 ILE 51 HG23 0.00 0.01 -0.13 -0.04 0.93 0.77 2b30A1 ILE 51 HD13 0.16 -0.01 -0.11 -0.04 0.88 0.89 2b30A1 ASP 52 H 0.01 0.46 -0.14 -0.55 8.40 8.19 2b30A1 ASP 52 HA 0.00 0.09 0.45 -0.75 4.63 4.42 2b30A1 ASP 52 HB2 0.02 0.05 0.11 -0.04 2.71 2.85 2b30A1 ASP 52 HB3 0.01 -0.00 -0.00 -0.04 2.70 2.66 2b30A1 ALA 53 H 0.03 0.37 -0.30 -0.55 8.40 7.95 2b30A1 ALA 53 HA 0.16 0.04 0.37 -0.75 4.34 4.16 2b30A1 ALA 53 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 2b30A1 ILE 54 H 0.01 0.58 -0.11 -0.55 8.25 8.18 2b30A1 ILE 54 HA -0.03 0.01 0.40 -0.75 4.18 3.80 2b30A1 ILE 54 HB -0.07 0.10 0.10 -0.04 1.89 1.98 2b30A1 ILE 54 HG12 -0.12 -0.03 -0.07 -0.04 1.49 1.23 2b30A1 ILE 54 HG13 -0.02 0.01 -0.02 -0.04 1.21 1.13 2b30A1 ILE 54 HG23 -0.31 0.01 -0.17 -0.04 0.93 0.42 2b30A1 ILE 54 HD13 0.04 -0.03 -0.13 -0.04 0.88 0.71 2b30A1 LYS 55 H -0.02 0.56 -0.15 -0.55 8.42 8.25 2b30A1 LYS 55 HA -0.02 0.19 0.48 -0.75 4.32 4.21 2b30A1 LYS 55 HB2 -0.02 0.02 0.11 -0.04 1.87 1.94 2b30A1 LYS 55 HB3 -0.01 0.04 0.22 -0.04 1.79 1.99 2b30A1 LYS 55 HG2 -0.02 -0.08 -0.11 -0.04 1.46 1.21 2b30A1 LYS 55 HG3 -0.02 0.21 0.17 -0.04 1.46 1.78 2b30A1 LYS 55 HD2 -0.01 -0.02 -0.06 -0.04 1.69 1.55 2b30A1 LYS 55 HD3 -0.01 -0.12 -0.00 -0.04 1.68 1.51 2b30A1 LYS 55 HE2 -0.01 -0.12 0.01 -0.04 2.99 2.82 2b30A1 LYS 55 HE3 -0.01 -0.04 -0.00 -0.04 2.99 2.90 2b30A1 GLU 56 H -0.00 0.63 -0.18 -0.55 8.60 8.50 2b30A1 GLU 56 HA -0.10 0.02 0.40 -0.75 4.29 3.86 2b30A1 GLU 56 HB2 -0.09 0.02 0.10 -0.04 2.09 2.08 2b30A1 GLU 56 HB3 -0.20 0.06 0.09 -0.04 1.99 1.90 2b30A1 GLU 56 HG2 -0.59 -0.01 -0.07 -0.04 2.34 1.63 2b30A1 GLU 56 HG3 -0.22 -0.02 0.04 -0.04 2.34 2.10 2b30A1 ALA 57 H 0.11 0.53 -0.13 -0.55 8.40 8.36 2b30A1 ALA 57 HA 0.31 -0.01 0.35 -0.75 4.34 4.23 2b30A1 ALA 57 HB3 0.17 0.01 0.05 -0.04 1.41 1.59 2b30A1 ILE 58 H 0.03 0.58 -0.16 -0.55 8.25 8.14 2b30A1 ILE 58 HA 0.06 0.16 0.52 -0.75 4.18 4.17 2b30A1 ILE 58 HB 0.02 0.20 0.17 -0.04 1.89 2.24 2b30A1 ILE 58 HG12 0.07 -0.06 0.05 -0.04 1.49 1.52 2b30A1 ILE 58 HG13 -0.02 -0.07 0.02 -0.04 1.21 1.10 2b30A1 ILE 58 HG23 0.06 0.00 -0.01 -0.04 0.93 0.95 2b30A1 ILE 58 HD13 -0.00 0.01 -0.17 -0.04 0.88 0.68 2b30A1 GLU 59 H -0.01 0.37 -0.10 -0.55 8.60 8.32 2b30A1 GLU 59 HA -0.02 0.04 0.62 -0.75 4.29 4.18 2b30A1 GLU 59 HB2 -0.07 0.06 0.21 -0.04 2.09 2.25 2b30A1 GLU 59 HB3 -0.05 -0.09 0.07 -0.04 1.99 1.88 2b30A1 GLU 59 HG2 -0.01 -0.07 0.06 -0.04 2.34 2.27 2b30A1 GLU 59 HG3 -0.01 0.18 0.12 -0.04 2.34 2.58 2b30A1 LYS 60 H -0.03 0.68 -0.02 -0.55 8.42 8.49 2b30A1 LYS 60 HA -0.08 0.02 0.52 -0.75 4.32 4.03 2b30A1 LYS 60 HB2 0.19 0.01 0.06 -0.04 1.87 2.10 2b30A1 LYS 60 HB3 0.02 -0.04 0.11 -0.04 1.79 1.84 2b30A1 LYS 60 HG2 -0.23 0.05 0.03 -0.04 1.46 1.28 2b30A1 LYS 60 HG3 -0.62 -0.09 -0.08 -0.04 1.46 0.62 2b30A1 LYS 60 HD2 -0.08 0.01 0.04 -0.04 1.69 1.61 2b30A1 LYS 60 HD3 -0.12 -0.01 -0.00 -0.04 1.68 1.50 2b30A1 LYS 60 HE2 -0.22 -0.04 -0.02 -0.04 2.99 2.67 2b30A1 LYS 60 HE3 -0.54 -0.03 -0.04 -0.04 2.99 2.34 2b30A1 GLY 61 H -0.01 0.24 -0.49 -0.55 8.43 7.63 2b30A1 GLY 61 HA2 -0.06 0.05 0.19 -0.51 4.01 3.68 2b30A1 GLY 61 HA3 -0.16 0.07 0.53 -0.51 4.01 3.94 2b30A1 TYR 62 H 0.12 0.51 0.10 -0.55 8.29 8.48 2b30A1 TYR 62 HA 0.00 0.13 0.56 -0.75 4.56 4.49 2b30A1 TYR 62 HB2 0.05 -0.05 -0.08 -0.04 3.06 2.94 2b30A1 TYR 62 HB3 0.02 -0.05 -0.19 -0.04 2.98 2.72 2b30A1 TYR 62 HD2 0.07 0.01 -0.13 -0.04 7.15 7.07 2b30A1 TYR 62 HE2 0.10 0.06 -0.07 -0.04 6.85 6.90 2b30A1 MET 63 H 0.06 0.48 0.30 -0.55 8.47 8.76 2b30A1 MET 63 HA 0.03 0.10 0.76 -0.75 4.52 4.66 2b30A1 MET 63 HB2 -0.08 0.06 0.17 -0.04 2.15 2.26 2b30A1 MET 63 HB3 -0.02 0.03 0.24 -0.04 2.03 2.25 2b30A1 MET 63 HG2 -0.01 -0.08 -0.26 -0.04 2.63 2.23 2b30A1 MET 63 HG3 -0.03 0.03 0.08 -0.04 2.56 2.60 2b30A1 MET 63 HE3 -0.57 0.01 0.05 -0.04 2.10 1.55 2b30A1 VAL 64 H 0.09 0.27 0.17 -0.55 8.24 8.22 2b30A1 VAL 64 HA -0.01 0.20 0.95 -0.75 4.13 4.51 2b30A1 VAL 64 HB -0.19 0.04 0.05 -0.04 2.12 1.97 2b30A1 VAL 64 HG13 -0.39 -0.04 -0.22 -0.04 0.97 0.29 2b30A1 VAL 64 HG23 -0.05 0.04 -0.30 -0.04 0.95 0.59 2b30A1 SER 65 H 0.02 0.78 0.28 -0.55 8.46 8.99 2b30A1 SER 65 HA 0.22 0.32 0.69 -0.75 4.49 4.97 2b30A1 SER 65 HB2 0.09 0.05 -0.28 -0.04 3.95 3.78 2b30A1 SER 65 HB3 0.04 0.01 -0.08 -0.04 3.93 3.86 2b30A1 ILE 66 H 0.23 0.25 0.11 -0.55 8.25 8.29 2b30A1 ILE 66 HA 0.10 0.25 0.91 -0.75 4.18 4.68 2b30A1 ILE 66 HB 0.29 -0.01 0.10 -0.04 1.89 2.22 2b30A1 ILE 66 HG12 0.25 0.07 -0.08 -0.04 1.49 1.69 2b30A1 ILE 66 HG13 0.20 -0.00 -0.18 -0.04 1.21 1.19 2b30A1 ILE 66 HG23 0.18 0.00 -0.20 -0.04 0.93 0.87 2b30A1 ILE 66 HD13 0.63 -0.01 -0.11 -0.04 0.88 1.35 2b30A1 CYS 67 H 0.04 0.53 0.13 -0.55 8.50 8.65 2b30A1 CYS 67 HA -0.11 0.33 0.97 -0.75 4.58 5.02 2b30A1 CYS 67 HB2 0.02 -0.04 -0.00 -0.04 2.97 2.91 2b30A1 CYS 67 HB3 0.01 -0.08 -0.03 -0.04 2.97 2.83 2b30A1 THR 68 H -0.06 0.72 0.31 -0.55 8.28 8.71 2b30A1 THR 68 HA 0.02 0.09 0.89 -0.75 4.39 4.64 2b30A1 THR 68 HB 0.09 0.07 -0.23 -0.04 4.32 4.21 2b30A1 THR 68 HG23 0.07 0.10 -0.15 -0.04 1.22 1.19 2b30A1 GLY 69 H -0.01 0.14 0.19 -0.55 8.43 8.20 2b30A1 GLY 69 HA2 -0.02 -0.01 0.64 -0.51 4.01 4.11 2b30A1 GLY 69 HA3 -0.04 0.06 0.32 -0.51 4.01 3.84 2b30A1 ARG 70 H -0.03 -0.03 -0.14 -0.55 8.46 7.70 2b30A1 ARG 70 HA -0.15 0.14 0.50 -0.75 4.34 4.09 2b30A1 ARG 70 HB2 -0.13 -0.01 -0.01 -0.04 1.90 1.71 2b30A1 ARG 70 HB3 -0.16 0.06 0.04 -0.04 1.80 1.70 2b30A1 ARG 70 HG2 -0.17 0.07 -0.04 -0.04 1.67 1.49 2b30A1 ARG 70 HG3 -0.13 -0.14 -0.07 -0.04 1.67 1.28 2b30A1 ARG 70 HD2 -0.12 -0.03 -0.04 -0.04 3.22 3.00 2b30A1 ARG 70 HD3 -0.10 -0.06 -0.03 -0.04 3.22 2.99 2b30A1 SER 71 H -0.11 0.09 0.10 -0.55 8.46 7.98 2b30A1 SER 71 HA -0.09 0.19 0.61 -0.75 4.49 4.45 2b30A1 SER 71 HB2 -0.09 0.08 0.14 -0.04 3.95 4.05 2b30A1 SER 71 HB3 -0.05 0.13 0.04 -0.04 3.93 4.01 2b30A1 LYS 72 H -0.39 0.23 0.08 -0.55 8.42 7.78 2b30A1 LYS 72 HA -1.02 0.14 0.37 -0.75 4.32 3.06 2b30A1 LYS 72 HB2 -0.76 0.08 0.05 -0.04 1.87 1.19 2b30A1 LYS 72 HB3 -0.31 -0.07 0.11 -0.04 1.79 1.48 2b30A1 LYS 72 HG2 -0.24 -0.03 -0.26 -0.04 1.46 0.90 2b30A1 LYS 72 HG3 -0.29 -0.00 -0.04 -0.04 1.46 1.09 2b30A1 LYS 72 HD2 -0.20 0.21 -0.08 -0.04 1.69 1.58 2b30A1 LYS 72 HD3 -0.26 0.02 -0.06 -0.04 1.68 1.33 2b30A1 LYS 72 HE2 -0.57 0.08 -0.06 -0.04 2.99 2.39 2b30A1 LYS 72 HE3 -0.52 -0.10 -0.04 -0.04 2.99 2.28 2b30A1 VAL 73 H -0.18 0.14 -0.01 -0.55 8.24 7.64 2b30A1 VAL 73 HA -0.10 0.13 0.30 -0.75 4.13 3.71 2b30A1 VAL 73 HB -0.06 0.05 0.04 -0.04 2.12 2.10 2b30A1 VAL 73 HG13 -0.09 0.02 0.06 -0.04 0.97 0.92 2b30A1 VAL 73 HG23 -0.08 0.04 0.01 -0.04 0.95 0.88 2b30A1 GLY 74 H -0.13 -0.01 -0.56 -0.55 8.43 7.19 2b30A1 GLY 74 HA2 -0.07 0.05 0.45 -0.51 4.01 3.93 2b30A1 GLY 74 HA3 -0.12 -0.05 0.22 -0.51 4.01 3.55 2b30A1 ILE 75 H -0.22 0.41 -0.25 -0.55 8.25 7.64 2b30A1 ILE 75 HA -0.61 0.03 0.45 -0.75 4.18 3.30 2b30A1 ILE 75 HB -0.21 0.14 0.12 -0.04 1.89 1.90 2b30A1 ILE 75 HG12 -2.40 0.01 -0.03 -0.04 1.49 -0.97 2b30A1 ILE 75 HG13 -0.84 -0.11 -0.09 -0.04 1.21 0.13 2b30A1 ILE 75 HG23 0.09 0.01 -0.22 -0.04 0.93 0.77 2b30A1 ILE 75 HD13 -0.15 -0.01 -0.12 -0.04 0.88 0.56 2b30A1 LEU 76 H -0.06 0.47 -0.07 -0.55 8.37 8.17 2b30A1 LEU 76 HA 0.24 0.07 0.42 -0.75 4.35 4.33 2b30A1 LEU 76 HB2 -0.01 -0.00 0.03 -0.04 1.64 1.62 2b30A1 LEU 76 HB3 0.05 -0.00 -0.05 -0.04 1.64 1.60 2b30A1 LEU 76 HG -0.06 0.04 -0.24 -0.04 1.64 1.34 2b30A1 LEU 76 HD13 -0.02 0.03 -0.10 -0.04 0.93 0.80 2b30A1 LEU 76 HD23 0.04 0.01 -0.30 -0.04 0.89 0.60 2b30A1 SER 77 H -0.01 0.45 -0.27 -0.55 8.46 8.09 2b30A1 SER 77 HA 0.06 -0.01 0.54 -0.75 4.49 4.32 2b30A1 SER 77 HB2 0.00 0.08 0.25 -0.04 3.95 4.23 2b30A1 SER 77 HB3 0.03 0.06 0.00 -0.04 3.93 3.98 2b30A1 ALA 78 H 0.01 0.30 -0.08 -0.55 8.40 8.08 2b30A1 ALA 78 HA 0.18 0.18 0.36 -0.75 4.34 4.30 2b30A1 ALA 78 HB3 0.10 -0.01 0.03 -0.04 1.41 1.49 2b30A1 PHE 79 H 0.22 0.28 -0.48 -0.55 8.34 7.80 2b30A1 PHE 79 HA 0.22 -0.02 0.47 -0.75 4.62 4.54 2b30A1 PHE 79 HB2 0.10 0.04 0.10 -0.04 3.15 3.35 2b30A1 PHE 79 HB3 0.10 -0.00 -0.12 -0.04 3.06 2.99 2b30A1 PHE 79 HD2 0.14 0.00 -0.13 -0.04 7.28 7.25 2b30A1 PHE 79 HE2 0.25 -0.05 -0.13 -0.04 7.38 7.40 2b30A1 PHE 79 HZ 0.30 -0.04 -0.13 -0.04 7.32 7.41 2b30A1 GLY 80 H 0.21 0.42 -0.18 -0.55 8.43 8.33 2b30A1 GLY 80 HA2 0.11 0.03 0.44 -0.51 4.01 4.08 2b30A1 GLY 80 HA3 0.12 0.09 0.62 -0.51 4.01 4.33 2b30A1 GLU 81 H 0.07 0.18 0.16 -0.55 8.60 8.46 2b30A1 GLU 81 HA 0.07 0.08 0.31 -0.75 4.29 3.99 2b30A1 GLU 81 HB2 0.05 0.01 0.17 -0.04 2.09 2.28 2b30A1 GLU 81 HB3 0.05 0.01 0.06 -0.04 1.99 2.07 2b30A1 GLU 81 HG2 0.07 -0.00 0.08 -0.04 2.34 2.45 2b30A1 GLU 81 HG3 0.06 0.01 0.05 -0.04 2.34 2.42 2b30A1 GLU 82 H 0.05 0.09 -0.28 -0.55 8.60 7.91 2b30A1 GLU 82 HA 0.03 0.09 0.37 -0.75 4.29 4.03 2b30A1 GLU 82 HB2 0.03 -0.01 0.08 -0.04 2.09 2.16 2b30A1 GLU 82 HB3 0.04 0.03 0.08 -0.04 1.99 2.10 2b30A1 GLU 82 HG2 0.02 0.02 -0.17 -0.04 2.34 2.17 2b30A1 GLU 82 HG3 0.02 0.00 0.05 -0.04 2.34 2.37 2b30A1 ASN 83 H 0.05 0.26 -0.04 -0.55 8.53 8.25 2b30A1 ASN 83 HA 0.00 0.02 0.52 -0.75 4.76 4.55 2b30A1 ASN 83 HB2 0.13 0.31 0.08 -0.04 2.88 3.35 2b30A1 ASN 83 HB3 0.04 -0.06 -0.02 -0.04 2.79 2.70 2b30A1 ASN 83 HD21 0.12 -0.02 0.11 -0.04 7.03 7.20 2b30A1 ASN 83 HD22 0.29 0.11 0.17 -0.04 7.74 8.26 2b30A1 LEU 84 H -0.05 0.38 -0.29 -0.55 8.37 7.86 2b30A1 LEU 84 HA -0.36 0.08 0.46 -0.75 4.35 3.77 2b30A1 LEU 84 HB2 -0.07 0.08 0.07 -0.04 1.64 1.68 2b30A1 LEU 84 HB3 -0.60 0.07 0.06 -0.04 1.64 1.13 2b30A1 LEU 84 HG -0.00 0.16 -0.18 -0.04 1.64 1.58 2b30A1 LEU 84 HD13 0.06 -0.03 -0.03 -0.04 0.93 0.88 2b30A1 LEU 84 HD23 -0.25 -0.00 -0.06 -0.04 0.89 0.53 2b30A1 LYS 85 H -0.03 0.40 -0.17 -0.55 8.42 8.07 2b30A1 LYS 85 HA 0.07 0.03 0.49 -0.75 4.32 4.17 2b30A1 LYS 85 HB2 0.02 0.13 0.22 -0.04 1.87 2.20 2b30A1 LYS 85 HB3 0.04 -0.02 -0.00 -0.04 1.79 1.77 2b30A1 LYS 85 HG2 0.11 0.01 0.06 -0.04 1.46 1.60 2b30A1 LYS 85 HG3 0.06 -0.06 0.02 -0.04 1.46 1.43 2b30A1 LYS 85 HD2 0.07 0.01 0.01 -0.04 1.69 1.74 2b30A1 LYS 85 HD3 0.15 0.01 0.01 -0.04 1.68 1.81 2b30A1 LYS 85 HE2 0.07 -0.02 -0.01 -0.04 2.99 2.98 2b30A1 LYS 85 HE3 0.04 -0.03 -0.01 -0.04 2.99 2.96 2b30A1 LYS 86 H -0.03 0.49 -0.05 -0.55 8.42 8.28 2b30A1 LYS 86 HA -0.01 0.01 0.36 -0.75 4.32 3.93 2b30A1 LYS 86 HB2 -0.00 0.01 0.13 -0.04 1.87 1.96 2b30A1 LYS 86 HB3 -0.02 0.05 0.18 -0.04 1.79 1.96 2b30A1 LYS 86 HG2 -0.01 0.03 -0.17 -0.04 1.46 1.27 2b30A1 LYS 86 HG3 -0.00 -0.02 0.03 -0.04 1.46 1.43 2b30A1 LYS 86 HD2 0.01 -0.03 -0.02 -0.04 1.69 1.61 2b30A1 LYS 86 HD3 0.01 -0.03 -0.02 -0.04 1.68 1.60 2b30A1 LYS 86 HE2 0.00 0.00 -0.08 -0.04 2.99 2.87 2b30A1 LYS 86 HE3 0.00 0.01 -0.02 -0.04 2.99 2.93 2b30A1 MET 87 H -0.09 0.61 -0.12 -0.55 8.47 8.31 2b30A1 MET 87 HA -0.04 0.04 0.57 -0.75 4.52 4.34 2b30A1 MET 87 HB2 -0.15 -0.00 0.05 -0.04 2.15 2.01 2b30A1 MET 87 HB3 -0.08 -0.05 -0.13 -0.04 2.03 1.73 2b30A1 MET 87 HG2 -0.07 0.13 0.07 -0.04 2.63 2.72 2b30A1 MET 87 HG3 -0.10 0.12 0.05 -0.04 2.56 2.60 2b30A1 MET 87 HE3 -0.78 -0.01 -0.21 -0.04 2.10 1.06 2b30A1 ASN 88 H -0.10 0.26 -0.39 -0.55 8.53 7.76 2b30A1 ASN 88 HA 0.02 0.00 0.33 -0.75 4.76 4.35 2b30A1 ASN 88 HB2 0.04 0.03 -0.04 -0.04 2.88 2.88 2b30A1 ASN 88 HB3 0.05 0.18 0.40 -0.04 2.79 3.38 2b30A1 ASN 88 HD21 0.08 -0.07 0.04 -0.04 7.03 7.04 2b30A1 ASN 88 HD22 0.06 0.05 0.06 -0.04 7.74 7.87 2b30A1 PHE 89 H -0.44 0.45 0.11 -0.55 8.34 7.90 2b30A1 PHE 89 HA -0.09 0.18 0.76 -0.75 4.62 4.71 2b30A1 PHE 89 HB2 -0.14 0.20 -0.33 -0.04 3.15 2.83 2b30A1 PHE 89 HB3 -0.33 -0.06 -0.06 -0.04 3.06 2.57 2b30A1 PHE 89 HD2 -0.16 0.11 -0.08 -0.04 7.28 7.11 2b30A1 PHE 89 HE2 0.11 0.14 -0.10 -0.04 7.38 7.48 2b30A1 PHE 89 HZ 0.10 0.03 -0.16 -0.04 7.32 7.25 2b30A1 TYR 90 H -0.63 0.20 0.07 -0.55 8.29 7.37 2b30A1 TYR 90 HA -0.23 0.15 0.73 -0.75 4.56 4.45 2b30A1 TYR 90 HB2 -0.19 0.07 0.01 -0.04 3.06 2.91 2b30A1 TYR 90 HB3 -0.15 -0.03 0.09 -0.04 2.98 2.84 2b30A1 TYR 90 HD2 -0.08 0.00 -0.16 -0.04 7.15 6.87 2b30A1 TYR 90 HE2 -0.02 0.02 -0.19 -0.04 6.85 6.62 2b30A1 GLY 91 H -1.56 0.15 -0.08 -0.55 8.43 6.39 2b30A1 GLY 91 HA2 -0.11 0.00 0.21 -0.51 4.01 3.60 2b30A1 GLY 91 HA3 -0.04 -0.01 0.26 -0.51 4.01 3.72 2b30A1 MET 92 H -0.49 0.03 -0.24 -0.55 8.47 7.22 2b30A1 MET 92 HA 0.12 0.01 0.68 -0.75 4.52 4.57 2b30A1 MET 92 HB2 -0.03 0.04 0.01 -0.04 2.15 2.13 2b30A1 MET 92 HB3 0.06 0.11 -0.12 -0.04 2.03 2.04 2b30A1 MET 92 HG2 -0.06 -0.04 -0.26 -0.04 2.63 2.22 2b30A1 MET 92 HG3 -0.11 0.08 -0.49 -0.04 2.56 2.00 2b30A1 MET 92 HE3 -0.07 0.02 -0.09 -0.04 2.10 1.93 2b30A1 PRO 93 HA 0.19 0.16 0.00 -0.51 4.44 4.29 2b30A1 PRO 93 HB2 0.17 0.00 0.01 -0.04 2.28 2.42 2b30A1 PRO 93 HB3 0.23 -0.19 0.04 -0.04 2.02 2.06 2b30A1 PRO 93 HG2 0.14 0.06 -0.13 -0.04 2.03 2.06 2b30A1 PRO 93 HG3 0.05 0.00 0.01 -0.04 2.03 2.06 2b30A1 PRO 93 HD2 0.24 0.27 0.26 -0.04 3.68 4.40 2b30A1 PRO 93 HD3 0.11 0.03 0.36 -0.04 3.65 4.11 2b30A1 GLY 94 H 0.15 0.52 0.32 -0.55 8.43 8.87 2b30A1 GLY 94 HA2 -0.09 0.02 0.54 -0.51 4.01 3.97 2b30A1 GLY 94 HA3 -0.12 0.13 0.36 -0.51 4.01 3.87 2b30A1 VAL 95 H -0.40 0.55 0.19 -0.55 8.24 8.03 2b30A1 VAL 95 HA -0.19 0.22 0.96 -0.75 4.13 4.38 2b30A1 VAL 95 HB -0.11 -0.06 0.17 -0.04 2.12 2.07 2b30A1 VAL 95 HG13 -0.03 -0.02 -0.10 -0.04 0.97 0.78 2b30A1 VAL 95 HG23 -0.01 0.02 -0.23 -0.04 0.95 0.68 2b30A1 TYR 96 H -0.07 0.94 0.33 -0.55 8.29 8.94 2b30A1 TYR 96 HA -0.03 0.19 0.96 -0.75 4.56 4.93 2b30A1 TYR 96 HB2 -0.06 0.02 -0.01 -0.04 3.06 2.98 2b30A1 TYR 96 HB3 -0.04 0.04 0.10 -0.04 2.98 3.04 2b30A1 TYR 96 HD2 0.02 0.05 -0.26 -0.04 7.15 6.91 2b30A1 TYR 96 HE2 0.15 0.08 -0.09 -0.04 6.85 6.94 2b30A1 ILE 97 H 0.07 0.52 -0.05 -0.55 8.25 8.24 2b30A1 ILE 97 HA -0.05 0.23 0.28 -0.75 4.18 3.89 2b30A1 ILE 97 HB -0.04 -0.00 -0.03 -0.04 1.89 1.78 2b30A1 ILE 97 HG12 -0.08 0.06 -0.26 -0.04 1.49 1.17 2b30A1 ILE 97 HG13 0.01 -0.08 -0.30 -0.04 1.21 0.79 2b30A1 ILE 97 HG23 -0.07 0.00 -0.07 -0.04 0.93 0.75 2b30A1 ILE 97 HD13 -0.05 0.03 -0.09 -0.04 0.88 0.73 2b30A1 ASN 98 H 0.01 0.38 -0.07 -0.55 8.53 8.30 2b30A1 ASN 98 HA 0.03 -0.05 0.04 -0.75 4.76 4.02 2b30A1 ASN 98 HB2 0.10 0.17 -0.36 -0.04 2.88 2.74 2b30A1 ASN 98 HB3 0.21 0.01 0.07 -0.04 2.79 3.04 2b30A1 ASN 98 HD21 0.12 -0.09 -0.06 -0.04 7.03 6.96 2b30A1 ASN 98 HD22 0.27 0.13 -0.13 -0.04 7.74 7.97 2b30A1 GLY 99 H -0.01 0.26 -0.65 -0.55 8.43 7.48 2b30A1 GLY 99 HA2 -0.01 -0.04 0.15 -0.51 4.01 3.60 2b30A1 GLY 99 HA3 0.06 0.28 0.29 -0.51 4.01 4.13 2b30A1 THR 100 H -0.05 0.43 -0.24 -0.55 8.28 7.87 2b30A1 THR 100 HA -0.32 0.11 0.62 -0.75 4.39 4.05 2b30A1 THR 100 HB -0.19 0.11 0.24 -0.04 4.32 4.45 2b30A1 THR 100 HG23 -0.17 -0.02 -0.04 -0.04 1.22 0.96 2b30A1 ILE 101 H -0.09 0.41 -0.00 -0.55 8.25 8.01 2b30A1 ILE 101 HA -0.24 0.57 0.92 -0.75 4.18 4.68 2b30A1 ILE 101 HB -0.04 -0.11 -0.01 -0.04 1.89 1.68 2b30A1 ILE 101 HG12 -0.15 0.07 0.11 -0.04 1.49 1.48 2b30A1 ILE 101 HG13 -0.11 -0.03 -0.43 -0.04 1.21 0.60 2b30A1 ILE 101 HG23 -0.38 -0.00 -0.12 -0.04 0.93 0.38 2b30A1 ILE 101 HD13 -0.05 -0.06 -0.03 -0.04 0.88 0.71 2b30A1 VAL 102 H -0.36 0.52 0.28 -0.55 8.24 8.12 2b30A1 VAL 102 HA -0.16 0.32 1.14 -0.75 4.13 4.67 2b30A1 VAL 102 HB -0.24 -0.10 0.04 -0.04 2.12 1.78 2b30A1 VAL 102 HG13 -0.01 0.02 -0.16 -0.04 0.97 0.78 2b30A1 VAL 102 HG23 -0.16 0.00 -0.26 -0.04 0.95 0.49 2b30A1 TYR 103 H 0.07 0.58 0.37 -0.55 8.29 8.76 2b30A1 TYR 103 HA 0.02 0.32 1.04 -0.75 4.56 5.20 2b30A1 TYR 103 HB2 0.15 0.01 0.13 -0.04 3.06 3.31 2b30A1 TYR 103 HB3 0.07 0.07 -0.00 -0.04 2.98 3.07 2b30A1 TYR 103 HD2 0.15 0.07 -0.24 -0.04 7.15 7.09 2b30A1 TYR 103 HE2 -0.10 -0.08 -0.09 -0.04 6.85 6.54 2b30A1 ASP 104 H 0.18 0.39 0.24 -0.55 8.40 8.66 2b30A1 ASP 104 HA 0.23 0.20 0.76 -0.75 4.63 5.07 2b30A1 ASP 104 HB2 0.17 0.04 0.18 -0.04 2.71 3.07 2b30A1 ASP 104 HB3 -0.18 0.10 0.09 -0.04 2.70 2.67 2b30A1 GLN 105 H 0.43 0.22 0.13 -0.55 8.47 8.71 2b30A1 GLN 105 HA 0.14 0.11 -0.11 -0.75 4.36 3.75 2b30A1 GLN 105 HB2 0.12 0.02 0.14 -0.04 2.15 2.39 2b30A1 GLN 105 HB3 0.23 -0.04 0.07 -0.04 2.02 2.24 2b30A1 GLN 105 HG2 0.09 -0.02 -0.11 -0.04 2.40 2.33 2b30A1 GLN 105 HG3 0.09 0.16 0.07 -0.04 2.39 2.66 2b30A1 GLN 105 HE21 0.01 0.06 0.05 -0.04 6.97 7.05 2b30A1 GLN 105 HE22 0.07 0.06 0.11 -0.04 7.69 7.89 2b30A1 ILE 106 H 0.18 -0.05 -0.32 -0.55 8.25 7.51 2b30A1 ILE 106 HA 0.06 0.22 0.53 -0.75 4.18 4.24 2b30A1 ILE 106 HB 0.12 -0.11 -0.02 -0.04 1.89 1.84 2b30A1 ILE 106 HG12 0.15 -0.08 -0.02 -0.04 1.49 1.50 2b30A1 ILE 106 HG13 0.09 0.03 -0.01 -0.04 1.21 1.28 2b30A1 ILE 106 HG23 0.06 0.02 -0.01 -0.04 0.93 0.95 2b30A1 ILE 106 HD13 0.07 0.04 -0.12 -0.04 0.88 0.83 2b30A1 GLY 107 H 0.13 0.28 -0.33 -0.55 8.43 7.96 2b30A1 GLY 107 HA2 0.01 0.04 0.20 -0.51 4.01 3.75 2b30A1 GLY 107 HA3 -0.02 0.19 0.72 -0.51 4.01 4.39 2b30A1 TYR 108 H 0.23 -0.05 -0.03 -0.55 8.29 7.89 2b30A1 TYR 108 HA 0.06 0.16 0.69 -0.75 4.56 4.71 2b30A1 TYR 108 HB2 0.03 0.05 0.01 -0.04 3.06 3.11 2b30A1 TYR 108 HB3 -0.01 -0.09 0.05 -0.04 2.98 2.89 2b30A1 TYR 108 HD2 -0.02 -0.06 -0.24 -0.04 7.15 6.79 2b30A1 TYR 108 HE2 0.00 0.01 -0.04 -0.04 6.85 6.78 2b30A1 THR 109 H -0.55 0.18 0.13 -0.55 8.28 7.49 2b30A1 THR 109 HA -0.15 0.15 0.62 -0.75 4.39 4.26 2b30A1 THR 109 HB -0.38 0.01 0.18 -0.04 4.32 4.10 2b30A1 THR 109 HG23 -0.22 0.00 -0.20 -0.04 1.22 0.76 2b30A1 LEU 110 H -0.12 0.62 0.39 -0.55 8.37 8.71 2b30A1 LEU 110 HA 0.10 0.10 0.57 -0.75 4.35 4.36 2b30A1 LEU 110 HB2 -0.10 0.02 -0.02 -0.04 1.64 1.50 2b30A1 LEU 110 HB3 0.01 -0.00 0.00 -0.04 1.64 1.61 2b30A1 LEU 110 HG 0.01 -0.01 -0.09 -0.04 1.64 1.52 2b30A1 LEU 110 HD13 -0.10 -0.00 -0.22 -0.04 0.93 0.57 2b30A1 LEU 110 HD23 -0.10 0.01 -0.05 -0.04 0.89 0.71 2b30A1 LEU 111 H -0.27 0.20 -0.01 -0.55 8.37 7.74 2b30A1 LEU 111 HA -0.24 0.11 0.63 -0.75 4.35 4.09 2b30A1 LEU 111 HB2 -0.77 0.10 -0.42 -0.04 1.64 0.51 2b30A1 LEU 111 HB3 -0.40 -0.12 -0.12 -0.04 1.64 0.96 2b30A1 LEU 111 HG -0.30 -0.02 -0.14 -0.04 1.64 1.15 2b30A1 LEU 111 HD13 -0.26 0.00 0.03 -0.04 0.93 0.66 2b30A1 LEU 111 HD23 -0.37 0.02 -0.06 -0.04 0.89 0.44 2b30A1 ASP 112 H -0.17 0.23 -0.00 -0.55 8.40 7.91 2b30A1 ASP 112 HA -0.18 0.22 0.78 -0.75 4.63 4.69 2b30A1 ASP 112 HB2 -0.15 -0.01 -0.00 -0.04 2.71 2.50 2b30A1 ASP 112 HB3 -0.11 0.01 0.19 -0.04 2.70 2.75 2b30A1 GLU 113 H -0.21 0.77 0.22 -0.55 8.60 8.84 2b30A1 GLU 113 HA -0.12 0.12 0.93 -0.75 4.29 4.47 2b30A1 GLU 113 HB2 -0.46 -0.03 0.19 -0.04 2.09 1.75 2b30A1 GLU 113 HB3 -0.25 0.02 -0.01 -0.04 1.99 1.71 2b30A1 GLU 113 HG2 -0.25 -0.05 -0.05 -0.04 2.34 1.95 2b30A1 GLU 113 HG3 -0.40 0.03 -0.02 -0.04 2.34 1.91 2b30A1 THR 114 H -0.07 0.20 0.18 -0.55 8.28 8.05 2b30A1 THR 114 HA -0.07 0.18 0.95 -0.75 4.39 4.70 2b30A1 THR 114 HB -0.09 -0.00 -0.09 -0.04 4.32 4.09 2b30A1 THR 114 HG23 -0.08 -0.01 -0.24 -0.04 1.22 0.85 2b30A1 ILE 115 H -0.03 0.52 0.28 -0.55 8.25 8.47 2b30A1 ILE 115 HA 0.03 -0.03 0.41 -0.75 4.18 3.83 2b30A1 ILE 115 HB 0.08 -0.08 0.12 -0.04 1.89 1.97 2b30A1 ILE 115 HG12 0.03 -0.01 -0.16 -0.04 1.49 1.31 2b30A1 ILE 115 HG13 0.02 0.04 0.06 -0.04 1.21 1.29 2b30A1 ILE 115 HG23 0.10 0.06 -0.06 -0.04 0.93 0.99 2b30A1 ILE 115 HD13 0.10 0.01 -0.17 -0.04 0.88 0.78 2b30A1 GLU 116 H 0.05 0.10 0.25 -0.55 8.60 8.44 2b30A1 GLU 116 HA 0.03 0.13 0.59 -0.75 4.29 4.29 2b30A1 GLU 116 HB2 0.05 -0.03 0.23 -0.04 2.09 2.30 2b30A1 GLU 116 HB3 0.05 -0.08 0.13 -0.04 1.99 2.05 2b30A1 GLU 116 HG2 0.04 0.04 0.11 -0.04 2.34 2.49 2b30A1 GLU 116 HG3 0.03 0.08 0.14 -0.04 2.34 2.55 2b30A1 THR 117 H 0.04 0.18 0.23 -0.55 8.28 8.17 2b30A1 THR 117 HA 0.10 0.23 0.30 -0.75 4.39 4.26 2b30A1 THR 117 HB 0.06 0.10 0.13 -0.04 4.32 4.57 2b30A1 THR 117 HG23 0.00 0.02 0.07 -0.04 1.22 1.27 2b30A1 ASP 118 H 0.06 0.06 -0.09 -0.55 8.40 7.89 2b30A1 ASP 118 HA 0.07 0.15 0.63 -0.75 4.63 4.73 2b30A1 ASP 118 HB2 0.05 0.07 0.06 -0.04 2.71 2.84 2b30A1 ASP 118 HB3 0.05 0.03 0.10 -0.04 2.70 2.84 2b30A1 VAL 119 H 0.08 0.05 -0.16 -0.55 8.24 7.67 2b30A1 VAL 119 HA 0.13 0.11 0.46 -0.75 4.13 4.07 2b30A1 VAL 119 HB 0.08 0.02 0.12 -0.04 2.12 2.30 2b30A1 VAL 119 HG13 0.09 0.06 -0.06 -0.04 0.97 1.02 2b30A1 VAL 119 HG23 0.07 0.01 0.09 -0.04 0.95 1.08 2b30A1 TYR 120 H 0.18 0.64 -0.10 -0.55 8.29 8.46 2b30A1 TYR 120 HA -0.02 -0.01 0.36 -0.75 4.56 4.13 2b30A1 TYR 120 HB2 0.01 -0.03 -0.04 -0.04 3.06 2.96 2b30A1 TYR 120 HB3 0.03 0.18 0.08 -0.04 2.98 3.22 2b30A1 TYR 120 HD2 0.03 0.07 -0.20 -0.04 7.15 7.01 2b30A1 TYR 120 HE2 0.10 0.17 -0.21 -0.04 6.85 6.87 2b30A1 ALA 121 H 0.16 0.53 -0.18 -0.55 8.40 8.36 2b30A1 ALA 121 HA 0.02 0.04 0.42 -0.75 4.34 4.06 2b30A1 ALA 121 HB3 0.08 0.05 0.13 -0.04 1.41 1.62 2b30A1 GLU 122 H 0.09 0.42 -0.29 -0.55 8.60 8.27 2b30A1 GLU 122 HA 0.12 0.01 0.39 -0.75 4.29 4.05 2b30A1 GLU 122 HB2 0.13 0.05 0.13 -0.04 2.09 2.36 2b30A1 GLU 122 HB3 0.30 0.11 0.13 -0.04 1.99 2.49 2b30A1 GLU 122 HG2 0.27 -0.02 -0.13 -0.04 2.34 2.42 2b30A1 GLU 122 HG3 0.11 -0.05 0.06 -0.04 2.34 2.42 2b30A1 LEU 123 H -0.02 0.52 -0.25 -0.55 8.37 8.08 2b30A1 LEU 123 HA -0.21 0.01 0.25 -0.75 4.35 3.65 2b30A1 LEU 123 HB2 -0.47 0.07 0.05 -0.04 1.64 1.25 2b30A1 LEU 123 HB3 -0.33 0.12 0.16 -0.04 1.64 1.55 2b30A1 LEU 123 HG -0.25 -0.05 -0.28 -0.04 1.64 1.01 2b30A1 LEU 123 HD13 -0.75 -0.01 -0.05 -0.04 0.93 0.07 2b30A1 LEU 123 HD23 -0.20 -0.01 -0.10 -0.04 0.89 0.53 2b30A1 ILE 124 H -0.25 0.69 -0.09 -0.55 8.25 8.04 2b30A1 ILE 124 HA -0.05 -0.05 0.41 -0.75 4.18 3.74 2b30A1 ILE 124 HB -0.14 0.14 0.07 -0.04 1.89 1.92 2b30A1 ILE 124 HG12 -1.05 0.26 -0.01 -0.04 1.49 0.65 2b30A1 ILE 124 HG13 -0.39 0.07 -0.09 -0.04 1.21 0.76 2b30A1 ILE 124 HG23 -0.02 -0.02 -0.10 -0.04 0.93 0.75 2b30A1 ILE 124 HD13 -0.06 -0.05 -0.12 -0.04 0.88 0.61 2b30A1 SER 125 H 0.03 0.58 -0.23 -0.55 8.46 8.30 2b30A1 SER 125 HA 0.05 -0.02 0.49 -0.75 4.49 4.26 2b30A1 SER 125 HB2 0.06 0.23 0.18 -0.04 3.95 4.37 2b30A1 SER 125 HB3 0.11 0.07 0.09 -0.04 3.93 4.16 2b30A1 TYR 126 H 0.27 0.68 -0.11 -0.55 8.29 8.58 2b30A1 TYR 126 HA 0.08 0.02 0.51 -0.75 4.56 4.41 2b30A1 TYR 126 HB2 0.26 0.03 0.07 -0.04 3.06 3.38 2b30A1 TYR 126 HB3 0.31 0.16 0.13 -0.04 2.98 3.53 2b30A1 TYR 126 HD2 0.08 0.02 -0.16 -0.04 7.15 7.05 2b30A1 TYR 126 HE2 0.06 -0.01 -0.07 -0.04 6.85 6.79 2b30A1 LEU 127 H 0.16 0.47 -0.20 -0.55 8.37 8.25 2b30A1 LEU 127 HA 0.06 0.06 0.39 -0.75 4.35 4.11 2b30A1 LEU 127 HB2 0.08 0.12 0.10 -0.04 1.64 1.90 2b30A1 LEU 127 HB3 0.08 -0.19 -0.12 -0.04 1.64 1.37 2b30A1 LEU 127 HG 0.10 0.31 -0.02 -0.04 1.64 1.99 2b30A1 LEU 127 HD13 -0.04 -0.02 -0.16 -0.04 0.93 0.66 2b30A1 LEU 127 HD23 0.11 -0.01 -0.13 -0.04 0.89 0.82 2b30A1 VAL 128 H 0.06 0.62 -0.12 -0.55 8.24 8.24 2b30A1 VAL 128 HA 0.08 -0.09 0.56 -0.75 4.13 3.92 2b30A1 VAL 128 HB 0.05 0.16 0.19 -0.04 2.12 2.48 2b30A1 VAL 128 HG13 0.04 -0.01 -0.08 -0.04 0.97 0.88 2b30A1 VAL 128 HG23 0.13 0.04 0.05 -0.04 0.95 1.12 2b30A1 GLU 129 H -0.02 0.55 -0.06 -0.55 8.60 8.52 2b30A1 GLU 129 HA -0.04 -0.00 0.36 -0.75 4.29 3.85 2b30A1 GLU 129 HB2 -0.03 0.09 0.17 -0.04 2.09 2.28 2b30A1 GLU 129 HB3 -0.16 0.09 0.14 -0.04 1.99 2.02 2b30A1 GLU 129 HG2 -0.09 0.00 -0.08 -0.04 2.34 2.13 2b30A1 GLU 129 HG3 -0.04 -0.04 0.07 -0.04 2.34 2.29 2b30A1 LYS 130 H -0.19 0.42 -0.37 -0.55 8.42 7.73 2b30A1 LYS 130 HA -0.11 0.12 0.63 -0.75 4.32 4.21 2b30A1 LYS 130 HB2 -0.22 -0.00 0.05 -0.04 1.87 1.66 2b30A1 LYS 130 HB3 -0.12 -0.07 0.12 -0.04 1.79 1.68 2b30A1 LYS 130 HG2 -0.58 0.00 -0.05 -0.04 1.46 0.79 2b30A1 LYS 130 HG3 -0.99 -0.03 -0.02 -0.04 1.46 0.38 2b30A1 LYS 130 HD2 -0.10 -0.05 -0.00 -0.04 1.69 1.50 2b30A1 LYS 130 HD3 -0.14 0.03 -0.04 -0.04 1.68 1.49 2b30A1 LYS 130 HE2 -0.18 0.01 -0.05 -0.04 2.99 2.73 2b30A1 LYS 130 HE3 -0.09 -0.01 -0.04 -0.04 2.99 2.81 2b30A1 ASN 131 H -0.03 0.68 -0.51 -0.55 8.53 8.12 2b30A1 ASN 131 HA 0.02 -0.08 0.42 -0.75 4.76 4.37 2b30A1 ASN 131 HB2 -0.01 0.05 -0.13 -0.04 2.88 2.75 2b30A1 ASN 131 HB3 0.01 -0.09 0.24 -0.04 2.79 2.90 2b30A1 ASN 131 HD21 -0.03 -0.02 0.04 -0.04 7.03 6.98 2b30A1 ASN 131 HD22 -0.01 -0.07 0.06 -0.04 7.74 7.68 2b30A1 LEU 132 H 0.03 0.75 -0.04 -0.55 8.37 8.57 2b30A1 LEU 132 HA 0.05 0.19 0.85 -0.75 4.35 4.68 2b30A1 LEU 132 HB2 0.05 0.03 0.01 -0.04 1.64 1.68 2b30A1 LEU 132 HB3 0.05 -0.09 -0.00 -0.04 1.64 1.55 2b30A1 LEU 132 HG 0.02 0.30 -0.20 -0.04 1.64 1.72 2b30A1 LEU 132 HD13 0.08 -0.02 -0.05 -0.04 0.93 0.90 2b30A1 LEU 132 HD23 0.05 -0.02 0.02 -0.04 0.89 0.90 2b30A1 VAL 133 H 0.10 0.24 -0.08 -0.55 8.24 7.95 2b30A1 VAL 133 HA 0.17 0.09 0.34 -0.75 4.13 3.97 2b30A1 VAL 133 HB 0.25 0.00 0.01 -0.04 2.12 2.34 2b30A1 VAL 133 HG13 0.08 -0.00 -0.12 -0.04 0.97 0.90 2b30A1 VAL 133 HG23 0.15 0.03 -0.21 -0.04 0.95 0.88 2b30A1 ASN 134 H 0.11 0.18 -0.34 -0.55 8.53 7.94 2b30A1 ASN 134 HA 0.14 0.04 0.47 -0.75 4.76 4.65 2b30A1 ASN 134 HB2 0.06 0.10 0.00 -0.04 2.88 2.99 2b30A1 ASN 134 HB3 0.06 0.17 0.00 -0.04 2.79 2.98 2b30A1 ASN 134 HD21 0.00 -0.02 -0.00 -0.04 7.03 6.97 2b30A1 ASN 134 HD22 0.03 0.10 0.00 -0.04 7.74 7.83 2b30A1 GLN 135 H 0.09 0.42 -0.60 -0.55 8.47 7.83 2b30A1 GLN 135 HA 0.15 0.00 0.57 -0.75 4.36 4.33 2b30A1 GLN 135 HB2 0.18 0.05 0.28 -0.04 2.15 2.62 2b30A1 GLN 135 HB3 0.16 -0.02 0.03 -0.04 2.02 2.15 2b30A1 GLN 135 HG2 0.07 -0.05 -0.06 -0.04 2.40 2.32 2b30A1 GLN 135 HG3 0.06 0.02 0.03 -0.04 2.39 2.46 2b30A1 GLN 135 HE21 0.10 -0.15 0.09 -0.04 6.97 6.98 2b30A1 GLN 135 HE22 0.09 0.46 0.21 -0.04 7.69 8.42 2b30A1 THR 136 H 0.09 0.34 0.01 -0.55 8.28 8.17 2b30A1 THR 136 HA -0.13 0.12 0.90 -0.75 4.39 4.53 2b30A1 THR 136 HB -0.08 0.08 0.15 -0.04 4.32 4.43 2b30A1 THR 136 HG23 -0.73 -0.03 -0.32 -0.04 1.22 0.11 2b30A1 ILE 137 H -0.15 0.59 0.26 -0.55 8.25 8.40 2b30A1 ILE 137 HA 0.03 0.25 0.90 -0.75 4.18 4.60 2b30A1 ILE 137 HB -0.03 -0.07 0.19 -0.04 1.89 1.94 2b30A1 ILE 137 HG12 -0.02 0.02 -0.10 -0.04 1.49 1.36 2b30A1 ILE 137 HG13 -0.11 0.03 -0.05 -0.04 1.21 1.04 2b30A1 ILE 137 HG23 -0.26 -0.01 -0.17 -0.04 0.93 0.46 2b30A1 ILE 137 HD13 -0.04 -0.02 -0.03 -0.04 0.88 0.75 2b30A1 PHE 138 H 0.31 0.77 0.41 -0.55 8.34 9.28 2b30A1 PHE 138 HA 0.08 0.13 0.73 -0.75 4.62 4.80 2b30A1 PHE 138 HB2 0.17 -0.02 0.21 -0.04 3.15 3.47 2b30A1 PHE 138 HB3 0.13 0.03 -0.02 -0.04 3.06 3.16 2b30A1 PHE 138 HD2 0.13 0.11 0.02 -0.04 7.28 7.51 2b30A1 PHE 138 HE2 0.03 0.06 -0.01 -0.04 7.38 7.41 2b30A1 PHE 138 HZ -0.01 -0.06 -0.05 -0.04 7.32 7.17 2b30A1 HIS 139 H 0.21 0.69 0.46 -0.55 8.41 9.22 2b30A1 HIS 139 HA 0.03 0.24 1.04 -0.75 4.63 5.17 2b30A1 HIS 139 HB2 -0.00 0.03 0.27 -0.04 3.26 3.52 2b30A1 HIS 139 HB3 -0.02 -0.01 -0.02 -0.04 3.20 3.12 2b30A1 HIS 139 HD2 -0.04 0.10 -0.12 -0.04 6.97 6.86 2b30A1 HIS 139 HE1 -0.06 -0.05 -0.11 -0.04 7.75 7.48 2b30A1 ARG 140 H 0.09 0.67 0.21 -0.55 8.46 8.88 2b30A1 ARG 140 HA 0.02 -0.08 0.68 -0.75 4.34 4.21 2b30A1 ARG 140 HB2 -0.02 0.08 0.02 -0.04 1.90 1.95 2b30A1 ARG 140 HB3 0.09 0.01 0.11 -0.04 1.80 1.96 2b30A1 ARG 140 HG2 -0.10 0.04 -0.03 -0.04 1.67 1.54 2b30A1 ARG 140 HG3 -0.03 -0.02 -0.20 -0.04 1.67 1.38 2b30A1 ARG 140 HD2 -0.05 -0.12 0.05 -0.04 3.22 3.06 2b30A1 ARG 140 HD3 -0.11 0.12 -0.07 -0.04 3.22 3.12 2b30A1 GLY 141 H -0.01 0.14 0.07 -0.55 8.43 8.09 2b30A1 GLY 141 HA2 -0.01 0.08 0.34 -0.51 4.01 3.90 2b30A1 GLY 141 HA3 -0.01 0.06 0.49 -0.51 4.01 4.04 2b30A1 GLU 142 H -0.01 0.21 0.24 -0.55 8.60 8.48 2b30A1 GLU 142 HA -0.04 0.02 0.79 -0.75 4.29 4.31 2b30A1 GLU 142 HB2 -0.04 0.10 0.09 -0.04 2.09 2.20 2b30A1 GLU 142 HB3 -0.07 -0.05 0.20 -0.04 1.99 2.03 2b30A1 GLU 142 HG2 0.01 0.00 -0.02 -0.04 2.34 2.29 2b30A1 GLU 142 HG3 -0.06 0.11 0.03 -0.04 2.34 2.37 2b30A1 SER 143 H -0.04 0.49 -0.08 -0.55 8.46 8.28 2b30A1 SER 143 HA -0.18 0.17 0.95 -0.75 4.49 4.68 2b30A1 SER 143 HB2 -0.08 0.07 0.09 -0.04 3.95 4.00 2b30A1 SER 143 HB3 -0.50 0.03 0.07 -0.04 3.93 3.49 2b30A1 ASN 144 H -0.44 0.25 0.22 -0.55 8.53 8.02 2b30A1 ASN 144 HA -0.44 0.36 0.77 -0.75 4.76 4.69 2b30A1 ASN 144 HB2 -0.72 0.01 -0.06 -0.04 2.88 2.06 2b30A1 ASN 144 HB3 -0.45 -0.02 -0.15 -0.04 2.79 2.12 2b30A1 ASN 144 HD21 -0.04 0.07 -0.13 -0.04 7.03 6.88 2b30A1 ASN 144 HD22 -0.02 -0.04 -0.20 -0.04 7.74 7.43 2b30A1 TYR 145 H 0.00 0.54 0.38 -0.55 8.29 8.67 2b30A1 TYR 145 HA 0.01 0.23 1.12 -0.75 4.56 5.16 2b30A1 TYR 145 HB2 0.04 -0.04 0.04 -0.04 3.06 3.06 2b30A1 TYR 145 HB3 0.03 0.09 0.04 -0.04 2.98 3.09 2b30A1 TYR 145 HD2 -0.00 0.09 -0.09 -0.04 7.15 7.11 2b30A1 TYR 145 HE2 -0.09 -0.01 -0.10 -0.04 6.85 6.61 2b30A1 VAL 146 H 0.14 0.75 0.32 -0.55 8.24 8.90 2b30A1 VAL 146 HA 0.25 0.25 0.86 -0.75 4.13 4.74 2b30A1 VAL 146 HB 0.12 -0.06 0.06 -0.04 2.12 2.20 2b30A1 VAL 146 HG13 0.09 0.00 -0.23 -0.04 0.97 0.79 2b30A1 VAL 146 HG23 0.08 0.00 -0.24 -0.04 0.95 0.75 2b30A1 THR 147 H 0.13 0.16 0.15 -0.55 8.28 8.18 2b30A1 THR 147 HA 0.04 0.30 0.65 -0.75 4.39 4.62 2b30A1 THR 147 HB 0.08 0.13 0.04 -0.04 4.32 4.53 2b30A1 THR 147 HG23 0.13 -0.06 -0.14 -0.04 1.22 1.11 2b30A1 GLU 148 H 0.05 0.42 0.27 -0.55 8.60 8.79 2b30A1 GLU 148 HA 0.04 0.08 0.36 -0.75 4.29 4.01 2b30A1 GLU 148 HB2 0.02 0.08 0.02 -0.04 2.09 2.17 2b30A1 GLU 148 HB3 0.03 -0.00 -0.02 -0.04 1.99 1.95 2b30A1 GLU 148 HG2 0.05 -0.18 0.19 -0.04 2.34 2.36 2b30A1 GLU 148 HG3 0.03 0.10 -0.08 -0.04 2.34 2.35 2b30A1 ASP 149 H 0.06 -0.02 -0.24 -0.55 8.40 7.65 2b30A1 ASP 149 HA 0.02 0.20 0.55 -0.75 4.63 4.64 2b30A1 ASP 149 HB2 0.05 -0.07 0.06 -0.04 2.71 2.70 2b30A1 ASP 149 HB3 0.01 0.05 0.19 -0.04 2.70 2.91 2b30A1 ASN 150 H 0.05 0.58 -0.47 -0.55 8.53 8.14 2b30A1 ASN 150 HA 0.02 0.37 0.86 -0.75 4.76 5.27 2b30A1 ASN 150 HB2 0.09 -0.16 0.09 -0.04 2.88 2.86 2b30A1 ASN 150 HB3 0.07 0.03 0.05 -0.04 2.79 2.90 2b30A1 ASN 150 HD21 0.10 -0.04 -0.36 -0.04 7.03 6.69 2b30A1 ASN 150 HD22 0.13 -0.03 -0.15 -0.04 7.74 7.65 2b30A1 LYS 151 H -0.12 0.30 0.24 -0.55 8.42 8.29 2b30A1 LYS 151 HA -0.07 0.14 0.53 -0.75 4.32 4.16 2b30A1 LYS 151 HB2 -0.47 0.01 0.13 -0.04 1.87 1.50 2b30A1 LYS 151 HB3 -0.24 -0.01 0.12 -0.04 1.79 1.62 2b30A1 LYS 151 HG2 -0.08 0.02 0.02 -0.04 1.46 1.37 2b30A1 LYS 151 HG3 -0.10 0.09 0.07 -0.04 1.46 1.48 2b30A1 LYS 151 HD2 -0.17 -0.00 0.04 -0.04 1.69 1.52 2b30A1 LYS 151 HD3 -0.12 -0.02 0.03 -0.04 1.68 1.53 2b30A1 LYS 151 HE2 -0.05 -0.00 0.02 -0.04 2.99 2.92 2b30A1 LYS 151 HE3 -0.05 0.04 0.03 -0.04 2.99 2.97 2b30A1 TYR 152 H -0.01 0.13 -0.26 -0.55 8.29 7.60 2b30A1 TYR 152 HA 0.12 0.17 0.61 -0.75 4.56 4.71 2b30A1 TYR 152 HB2 -0.10 0.05 0.04 -0.04 3.06 3.01 2b30A1 TYR 152 HB3 -0.13 -0.08 0.14 -0.04 2.98 2.88 2b30A1 TYR 152 HD2 0.06 0.02 0.00 -0.04 7.15 7.19 2b30A1 TYR 152 HE2 0.06 0.06 -0.06 -0.04 6.85 6.87 2b30A1 ALA 153 H 0.10 0.38 -0.48 -0.55 8.40 7.86 2b30A1 ALA 153 HA 0.12 0.06 0.37 -0.75 4.34 4.13 2b30A1 ALA 153 HB3 0.07 0.07 0.01 -0.04 1.41 1.51 2b30A1 ASP 154 H 0.14 0.21 -0.14 -0.55 8.40 8.06 2b30A1 ASP 154 HA 0.09 0.14 0.62 -0.75 4.63 4.73 2b30A1 ASP 154 HB2 0.07 0.07 0.06 -0.04 2.71 2.87 2b30A1 ASP 154 HB3 0.10 0.06 0.06 -0.04 2.70 2.87 2b30A1 PHE 155 H 0.29 0.38 -0.73 -0.55 8.34 7.73 2b30A1 PHE 155 HA 0.09 0.05 0.08 -0.75 4.62 4.09 2b30A1 PHE 155 HB2 0.16 0.01 0.06 -0.04 3.15 3.34 2b30A1 PHE 155 HB3 0.08 0.05 0.10 -0.04 3.06 3.25 2b30A1 PHE 155 HD2 0.02 -0.01 -0.14 -0.04 7.28 7.11 2b30A1 PHE 155 HE2 -0.12 0.01 -0.08 -0.04 7.38 7.15 2b30A1 PHE 155 HZ -0.31 -0.01 -0.05 -0.04 7.32 6.90 2b30A1 LEU 156 H 0.28 0.19 -0.05 -0.55 8.37 8.24 2b30A1 LEU 156 HA 0.24 0.06 0.46 -0.75 4.35 4.35 2b30A1 LEU 156 HB2 0.10 0.11 -0.06 -0.04 1.64 1.75 2b30A1 LEU 156 HB3 0.09 0.01 -0.07 -0.04 1.64 1.63 2b30A1 LEU 156 HG 0.22 -0.01 -0.01 -0.04 1.64 1.80 2b30A1 LEU 156 HD13 0.08 0.01 -0.08 -0.04 0.93 0.89 2b30A1 LEU 156 HD23 0.20 -0.00 -0.09 -0.04 0.89 0.95 2b30A1 GLN 157 H 0.09 0.04 -0.55 -0.55 8.47 7.49 2b30A1 GLN 157 HA 0.05 0.32 0.23 -0.75 4.36 4.20 2b30A1 GLN 157 HB2 0.06 -0.14 -0.09 -0.04 2.15 1.94 2b30A1 GLN 157 HB3 0.04 0.06 -0.05 -0.04 2.02 2.03 2b30A1 GLN 157 HG2 0.04 0.51 -0.01 -0.04 2.40 2.90 2b30A1 GLN 157 HG3 0.04 -0.18 -0.23 -0.04 2.39 1.97 2b30A1 GLN 157 HE21 0.03 0.02 -0.00 -0.04 6.97 6.97 2b30A1 GLN 157 HE22 0.03 -0.11 0.04 -0.04 7.69 7.61 2b30A1 LYS 158 H 0.02 0.71 0.03 -0.55 8.42 8.63 2b30A1 LYS 158 HA -0.01 0.12 0.45 -0.75 4.32 4.12 2b30A1 LYS 158 HB2 -0.01 0.04 0.11 -0.04 1.87 1.97 2b30A1 LYS 158 HB3 -0.03 -0.02 -0.03 -0.04 1.79 1.67 2b30A1 LYS 158 HG2 0.01 0.02 0.01 -0.04 1.46 1.46 2b30A1 LYS 158 HG3 0.03 -0.00 0.05 -0.04 1.46 1.50 2b30A1 LYS 158 HD2 0.03 -0.03 -0.02 -0.04 1.69 1.63 2b30A1 LYS 158 HD3 0.01 0.01 -0.01 -0.04 1.68 1.65 2b30A1 LYS 158 HE2 0.02 0.02 -0.01 -0.04 2.99 2.99 2b30A1 LYS 158 HE3 0.03 -0.00 0.00 -0.04 2.99 2.98 2b30A1 MET 159 H -0.22 0.45 0.02 -0.55 8.47 8.17 2b30A1 MET 159 HA -0.31 0.03 0.40 -0.75 4.52 3.88 2b30A1 MET 159 HB2 -0.77 0.28 0.14 -0.04 2.15 1.76 2b30A1 MET 159 HB3 -1.25 -0.08 -0.04 -0.04 2.03 0.62 2b30A1 MET 159 HG2 -0.35 -0.02 0.01 -0.04 2.63 2.23 2b30A1 MET 159 HG3 -0.98 -0.03 0.02 -0.04 2.56 1.53 2b30A1 MET 159 HE3 -0.07 -0.01 -0.02 -0.04 2.10 1.96 2b30A1 TYR 160 H -0.02 0.28 -0.36 -0.55 8.29 7.64 2b30A1 TYR 160 HA 0.02 0.15 0.79 -0.75 4.56 4.77 2b30A1 TYR 160 HB2 -0.09 0.04 0.04 -0.04 3.06 3.01 2b30A1 TYR 160 HB3 -0.20 -0.06 0.06 -0.04 2.98 2.75 2b30A1 TYR 160 HD2 -0.16 0.03 -0.10 -0.04 7.15 6.87 2b30A1 TYR 160 HE2 -0.10 -0.03 -0.09 -0.04 6.85 6.59 2b30A1 SER 161 H 0.06 0.24 -0.21 -0.55 8.46 8.01 2b30A1 SER 161 HA 0.08 0.20 0.37 -0.75 4.49 4.38 2b30A1 SER 161 HB2 0.25 0.01 0.02 -0.04 3.95 4.19 2b30A1 SER 161 HB3 0.16 0.02 0.14 -0.04 3.93 4.21 2b30A1 GLU 162 H 0.06 0.33 -0.30 -0.55 8.60 8.15 2b30A1 GLU 162 HA 0.01 0.12 0.69 -0.75 4.29 4.36 2b30A1 GLU 162 HB2 0.05 -0.08 -0.32 -0.04 2.09 1.69 2b30A1 GLU 162 HB3 0.01 -0.04 0.03 -0.04 1.99 1.95 2b30A1 GLU 162 HG2 -0.05 0.21 0.05 -0.04 2.34 2.51 2b30A1 GLU 162 HG3 -0.00 0.08 -0.15 -0.04 2.34 2.23 2b30A1 ASN 163 H 0.00 0.06 0.04 -0.55 8.53 8.09 2b30A1 ASN 163 HA 0.02 0.14 0.65 -0.75 4.76 4.82 2b30A1 ASN 163 HB2 -0.01 -0.05 0.03 -0.04 2.88 2.80 2b30A1 ASN 163 HB3 -0.01 0.08 0.03 -0.04 2.79 2.85 2b30A1 ASN 163 HD21 0.01 0.02 -0.00 -0.04 7.03 7.01 2b30A1 ASN 163 HD22 0.00 0.01 0.02 -0.04 7.74 7.73 2b30A1 ARG 164 H 0.02 0.12 0.08 -0.55 8.46 8.13 2b30A1 ARG 164 HA 0.04 -0.08 0.40 -0.75 4.34 3.95 2b30A1 ARG 164 HB2 0.02 0.14 -0.08 -0.04 1.90 1.95 2b30A1 ARG 164 HB3 0.04 -0.01 0.10 -0.04 1.80 1.89 2b30A1 ARG 164 HG2 0.03 -0.01 0.05 -0.04 1.67 1.70 2b30A1 ARG 164 HG3 0.02 -0.08 0.15 -0.04 1.67 1.72 2b30A1 ARG 164 HD2 0.03 0.00 0.00 -0.04 3.22 3.21 2b30A1 ARG 164 HD3 0.02 -0.01 -0.01 -0.04 3.22 3.18 2b30A1 SER 165 H 0.04 0.13 0.17 -0.55 8.46 8.26 2b30A1 SER 165 HA -0.06 0.09 0.51 -0.75 4.49 4.27 2b30A1 SER 165 HB2 0.04 0.01 -0.00 -0.04 3.95 3.96 2b30A1 SER 165 HB3 -0.01 0.01 -0.18 -0.04 3.93 3.71 2b30A1 ILE 166 H -0.09 0.43 0.35 -0.55 8.25 8.39 2b30A1 ILE 166 HA 0.04 0.10 0.64 -0.75 4.18 4.20 2b30A1 ILE 166 HB 0.16 -0.01 0.16 -0.04 1.89 2.15 2b30A1 ILE 166 HG12 0.01 0.02 0.04 -0.04 1.49 1.52 2b30A1 ILE 166 HG13 -0.07 0.01 0.13 -0.04 1.21 1.24 2b30A1 ILE 166 HG23 0.12 0.02 -0.06 -0.04 0.93 0.96 2b30A1 ILE 166 HD13 -0.00 -0.01 0.04 -0.04 0.88 0.86 2b30A1 ILE 167 H 0.06 0.17 0.20 -0.55 8.25 8.13 2b30A1 ILE 167 HA 0.08 0.27 0.71 -0.75 4.18 4.49 2b30A1 ILE 167 HB 0.04 -0.02 0.08 -0.04 1.89 1.96 2b30A1 ILE 167 HG12 0.06 0.01 -0.20 -0.04 1.49 1.31 2b30A1 ILE 167 HG13 0.05 0.06 -0.22 -0.04 1.21 1.07 2b30A1 ILE 167 HG23 0.04 0.00 -0.25 -0.04 0.93 0.68 2b30A1 ILE 167 HD13 0.04 -0.00 -0.03 -0.04 0.88 0.84 2b30A1 ILE 168 H 0.05 0.48 0.32 -0.55 8.25 8.55 2b30A1 ILE 168 HA 0.02 0.15 0.80 -0.75 4.18 4.39 2b30A1 ILE 168 HB -0.03 -0.05 0.04 -0.04 1.89 1.80 2b30A1 ILE 168 HG12 0.08 0.08 -0.12 -0.04 1.49 1.50 2b30A1 ILE 168 HG13 -0.02 -0.05 -0.11 -0.04 1.21 0.99 2b30A1 ILE 168 HG23 0.05 0.01 -0.24 -0.04 0.93 0.71 2b30A1 ILE 168 HD13 -0.05 -0.01 -0.20 -0.04 0.88 0.59 2b30A1 ARG 169 H -0.01 0.19 0.17 -0.55 8.46 8.25 2b30A1 ARG 169 HA 0.02 0.04 0.57 -0.75 4.34 4.22 2b30A1 ARG 169 HB2 -0.00 0.13 0.16 -0.04 1.90 2.15 2b30A1 ARG 169 HB3 -0.02 -0.05 0.08 -0.04 1.80 1.77 2b30A1 ARG 169 HG2 0.01 0.14 0.08 -0.04 1.67 1.85 2b30A1 ARG 169 HG3 0.03 -0.22 0.13 -0.04 1.67 1.57 2b30A1 ARG 169 HD2 0.04 -0.16 0.22 -0.04 3.22 3.29 2b30A1 ARG 169 HD3 0.02 0.12 0.08 -0.04 3.22 3.39 2b30A1 HIS 170 H 0.11 0.17 0.24 -0.55 8.41 8.38 2b30A1 HIS 170 HA -0.05 0.11 0.46 -0.75 4.63 4.39 2b30A1 HIS 170 HB2 -0.01 -0.02 0.18 -0.04 3.26 3.37 2b30A1 HIS 170 HB3 -0.02 0.01 0.14 -0.04 3.20 3.29 2b30A1 HIS 170 HD2 0.02 -0.04 -0.04 -0.04 6.97 6.86 2b30A1 HIS 170 HE1 -0.01 0.07 -0.05 -0.04 7.75 7.72 2b30A1 ASN 171 H 0.07 0.09 -0.08 -0.55 8.53 8.07 2b30A1 ASN 171 HA 0.02 0.13 0.36 -0.75 4.76 4.52 2b30A1 ASN 171 HB2 -0.01 0.10 0.03 -0.04 2.88 2.95 2b30A1 ASN 171 HB3 0.03 0.02 0.06 -0.04 2.79 2.86 2b30A1 ASN 171 HD21 -0.01 0.02 -0.02 -0.04 7.03 6.97 2b30A1 ASN 171 HD22 -0.01 0.06 -0.01 -0.04 7.74 7.74 2b30A1 GLU 172 H -0.08 0.05 -0.56 -0.55 8.60 7.47 2b30A1 GLU 172 HA -0.19 0.13 0.56 -0.75 4.29 4.03 2b30A1 GLU 172 HB2 -0.10 0.11 0.08 -0.04 2.09 2.14 2b30A1 GLU 172 HB3 -0.18 0.04 -0.02 -0.04 1.99 1.79 2b30A1 GLU 172 HG2 -0.10 0.08 0.02 -0.04 2.34 2.30 2b30A1 GLU 172 HG3 -0.08 -0.05 -0.05 -0.04 2.34 2.12 2b30A1 MET 173 H -0.21 0.36 -0.11 -0.55 8.47 7.96 2b30A1 MET 173 HA -0.28 0.03 0.35 -0.75 4.52 3.86 2b30A1 MET 173 HB2 -0.28 -0.02 0.03 -0.04 2.15 1.83 2b30A1 MET 173 HB3 -0.43 0.09 0.09 -0.04 2.03 1.73 2b30A1 MET 173 HG2 -0.96 -0.02 -0.08 -0.04 2.63 1.53 2b30A1 MET 173 HG3 -0.85 0.02 -0.09 -0.04 2.56 1.60 2b30A1 MET 173 HE3 -0.12 -0.00 -0.02 -0.04 2.10 1.91 2b30A1 LEU 174 H -0.23 0.29 -0.26 -0.55 8.37 7.63 2b30A1 LEU 174 HA -0.09 0.18 0.53 -0.75 4.35 4.22 2b30A1 LEU 174 HB2 -0.05 0.03 0.11 -0.04 1.64 1.70 2b30A1 LEU 174 HB3 -0.10 -0.03 0.00 -0.04 1.64 1.47 2b30A1 LEU 174 HG -0.21 0.14 0.01 -0.04 1.64 1.55 2b30A1 LEU 174 HD13 -0.02 0.04 -0.05 -0.04 0.93 0.86 2b30A1 LEU 174 HD23 0.06 -0.02 -0.06 -0.04 0.89 0.83 2b30A1 LYS 175 H -0.30 0.29 -0.65 -0.55 8.42 7.20 2b30A1 LYS 175 HA -0.11 0.10 0.72 -0.75 4.32 4.28 2b30A1 LYS 175 HB2 -0.46 0.17 0.09 -0.04 1.87 1.64 2b30A1 LYS 175 HB3 -0.23 -0.08 0.01 -0.04 1.79 1.45 2b30A1 LYS 175 HG2 -0.12 -0.03 0.04 -0.04 1.46 1.32 2b30A1 LYS 175 HG3 -0.16 0.18 0.06 -0.04 1.46 1.49 2b30A1 LYS 175 HD2 -0.11 -0.03 -0.02 -0.04 1.69 1.49 2b30A1 LYS 175 HD3 -0.19 -0.05 0.05 -0.04 1.68 1.45 2b30A1 LYS 175 HE2 -0.13 0.00 0.00 -0.04 2.99 2.82 2b30A1 LYS 175 HE3 -0.08 0.00 0.01 -0.04 2.99 2.87 2b30A1 TYR 176 H -0.27 0.32 -0.14 -0.55 8.29 7.65 2b30A1 TYR 176 HA -0.08 -0.00 0.45 -0.75 4.56 4.18 2b30A1 TYR 176 HB2 -0.08 0.12 0.10 -0.04 3.06 3.15 2b30A1 TYR 176 HB3 -0.13 -0.03 0.02 -0.04 2.98 2.80 2b30A1 TYR 176 HD2 -0.21 0.02 0.02 -0.04 7.15 6.94 2b30A1 TYR 176 HE2 -0.32 -0.04 -0.06 -0.04 6.85 6.39 2b30A1 ARG 177 H 0.06 0.08 0.18 -0.55 8.46 8.22 2b30A1 ARG 177 HA 0.10 0.18 0.44 -0.75 4.34 4.30 2b30A1 ARG 177 HB2 -0.01 -0.04 0.11 -0.04 1.90 1.92 2b30A1 ARG 177 HB3 0.00 -0.05 0.05 -0.04 1.80 1.76 2b30A1 ARG 177 HG2 0.02 0.02 0.06 -0.04 1.67 1.72 2b30A1 ARG 177 HG3 0.02 -0.05 0.03 -0.04 1.67 1.64 2b30A1 ARG 177 HD2 0.03 -0.05 0.01 -0.04 3.22 3.17 2b30A1 ARG 177 HD3 0.05 0.08 -0.10 -0.04 3.22 3.21 2b30A1 THR 178 H -0.25 0.14 -0.06 -0.55 8.28 7.56 2b30A1 THR 178 HA -1.40 0.10 0.33 -0.75 4.39 2.66 2b30A1 THR 178 HB -0.18 0.09 -0.23 -0.04 4.32 3.96 2b30A1 THR 178 HG23 -0.14 -0.03 -0.20 -0.04 1.22 0.81 2b30A1 MET 179 H -0.36 0.26 0.18 -0.55 8.47 7.99 2b30A1 MET 179 HA -0.09 0.13 0.65 -0.75 4.52 4.45 2b30A1 MET 179 HB2 0.15 -0.05 -0.11 -0.04 2.15 2.10 2b30A1 MET 179 HB3 0.11 0.11 0.14 -0.04 2.03 2.35 2b30A1 MET 179 HG2 -0.00 0.01 -0.56 -0.04 2.63 2.04 2b30A1 MET 179 HG3 0.48 -0.04 -0.14 -0.04 2.56 2.82 2b30A1 MET 179 HE3 -0.09 0.01 -0.10 -0.04 2.10 1.88 2b30A1 ASN 180 H 0.01 0.39 0.39 -0.55 8.53 8.77 2b30A1 ASN 180 HA -0.04 0.14 0.89 -0.75 4.76 4.99 2b30A1 ASN 180 HB2 0.00 -0.03 0.05 -0.04 2.88 2.87 2b30A1 ASN 180 HB3 -0.04 0.05 0.06 -0.04 2.79 2.81 2b30A1 ASN 180 HD21 -0.08 -0.06 -0.27 -0.04 7.03 6.58 2b30A1 ASN 180 HD22 -0.09 0.40 -0.06 -0.04 7.74 7.95 2b30A1 LYS 181 H 0.08 0.33 0.19 -0.55 8.42 8.47 2b30A1 LYS 181 HA 0.01 0.43 0.79 -0.75 4.32 4.80 2b30A1 LYS 181 HB2 -0.05 0.10 -0.20 -0.04 1.87 1.69 2b30A1 LYS 181 HB3 -0.08 -0.12 -0.03 -0.04 1.79 1.52 2b30A1 LYS 181 HG2 -0.03 -0.10 -0.43 -0.04 1.46 0.86 2b30A1 LYS 181 HG3 -0.02 0.13 -0.12 -0.04 1.46 1.40 2b30A1 LYS 181 HD2 -0.07 -0.11 -0.14 -0.04 1.69 1.33 2b30A1 LYS 181 HD3 -0.10 0.02 -0.12 -0.04 1.68 1.44 2b30A1 LYS 181 HE2 -0.36 0.21 0.00 -0.04 2.99 2.81 2b30A1 LYS 181 HE3 -0.79 -0.04 -0.11 -0.04 2.99 2.01 2b30A1 LEU 182 H -0.01 0.54 0.28 -0.55 8.37 8.63 2b30A1 LEU 182 HA -0.08 0.32 0.94 -0.75 4.35 4.77 2b30A1 LEU 182 HB2 -0.11 -0.02 0.13 -0.04 1.64 1.59 2b30A1 LEU 182 HB3 -0.30 0.01 -0.06 -0.04 1.64 1.24 2b30A1 LEU 182 HG 0.03 -0.00 -0.12 -0.04 1.64 1.51 2b30A1 LEU 182 HD13 -0.16 0.01 -0.13 -0.04 0.93 0.61 2b30A1 LEU 182 HD23 -0.01 0.03 -0.17 -0.04 0.89 0.69 2b30A1 MET 183 H 0.02 0.57 0.19 -0.55 8.47 8.70 2b30A1 MET 183 HA -0.02 0.32 1.13 -0.75 4.52 5.20 2b30A1 MET 183 HB2 0.03 -0.03 0.03 -0.04 2.15 2.14 2b30A1 MET 183 HB3 0.03 -0.05 0.20 -0.04 2.03 2.17 2b30A1 MET 183 HG2 -0.05 0.12 -0.33 -0.04 2.63 2.33 2b30A1 MET 183 HG3 -0.01 -0.07 -0.14 -0.04 2.56 2.30 2b30A1 MET 183 HE3 -0.05 -0.01 -0.14 -0.04 2.10 1.86 2b30A1 ILE 184 H -0.04 0.59 0.19 -0.55 8.25 8.43 2b30A1 ILE 184 HA -0.10 0.09 0.68 -0.75 4.18 4.11 2b30A1 ILE 184 HB -0.00 -0.10 0.17 -0.04 1.89 1.91 2b30A1 ILE 184 HG12 -0.09 -0.01 -0.13 -0.04 1.49 1.22 2b30A1 ILE 184 HG13 -0.07 0.02 -0.09 -0.04 1.21 1.03 2b30A1 ILE 184 HG23 0.01 0.03 -0.16 -0.04 0.93 0.77 2b30A1 ILE 184 HD13 -0.00 0.01 -0.09 -0.04 0.88 0.76 2b30A1 VAL 185 H -0.17 0.58 0.42 -0.55 8.24 8.52 2b30A1 VAL 185 HA -0.32 -0.07 0.62 -0.75 4.13 3.60 2b30A1 VAL 185 HB -0.45 0.14 0.23 -0.04 2.12 1.99 2b30A1 VAL 185 HG13 -1.24 -0.02 -0.12 -0.04 0.97 -0.46 2b30A1 VAL 185 HG23 -1.07 -0.01 0.01 -0.04 0.95 -0.16 2b30A1 LEU 186 H 0.61 0.13 0.16 -0.55 8.37 8.74 2b30A1 LEU 186 HA 0.08 0.18 0.85 -0.75 4.35 4.70 2b30A1 LEU 186 HB2 0.10 -0.02 0.07 -0.04 1.64 1.75 2b30A1 LEU 186 HB3 0.03 0.03 -0.20 -0.04 1.64 1.46 2b30A1 LEU 186 HG 0.05 -0.01 -0.12 -0.04 1.64 1.51 2b30A1 LEU 186 HD13 0.05 0.01 -0.23 -0.04 0.93 0.73 2b30A1 LEU 186 HD23 0.04 -0.02 -0.01 -0.04 0.89 0.86 2b30A1 ASP 187 H 0.08 0.16 0.12 -0.55 8.40 8.22 2b30A1 ASP 187 HA 0.10 0.19 0.61 -0.75 4.63 4.78 2b30A1 ASP 187 HB2 0.11 0.09 0.14 -0.04 2.71 3.01 2b30A1 ASP 187 HB3 0.06 -0.13 0.21 -0.04 2.70 2.80 2b30A1 PRO 188 HA -0.04 0.07 0.18 -0.51 4.44 4.14 2b30A1 PRO 188 HB2 -0.01 0.04 -0.00 -0.04 2.28 2.27 2b30A1 PRO 188 HB3 -0.04 0.07 0.11 -0.04 2.02 2.13 2b30A1 PRO 188 HG2 0.03 0.01 0.05 -0.04 2.03 2.08 2b30A1 PRO 188 HG3 0.02 0.06 0.09 -0.04 2.03 2.17 2b30A1 PRO 188 HD2 0.07 0.04 0.26 -0.04 3.68 4.01 2b30A1 PRO 188 HD3 0.04 0.26 0.26 -0.04 3.65 4.17 2b30A1 SER 189 H 0.02 0.00 -0.60 -0.55 8.46 7.34 2b30A1 SER 189 HA 0.01 0.10 0.65 -0.75 4.49 4.50 2b30A1 SER 189 HB2 0.03 -0.08 0.14 -0.04 3.95 4.00 2b30A1 SER 189 HB3 0.02 0.03 0.03 -0.04 3.93 3.97 2b30A1 GLU 190 H 0.03 0.35 0.09 -0.55 8.60 8.52 2b30A1 GLU 190 HA 0.02 0.08 0.17 -0.75 4.29 3.80 2b30A1 GLU 190 HB2 0.03 -0.02 0.20 -0.04 2.09 2.26 2b30A1 GLU 190 HB3 0.03 0.04 0.07 -0.04 1.99 2.08 2b30A1 GLU 190 HG2 0.04 -0.04 0.14 -0.04 2.34 2.44 2b30A1 GLU 190 HG3 0.04 0.05 0.09 -0.04 2.34 2.47 2b30A1 SER 191 H 0.00 0.30 -0.52 -0.55 8.46 7.69 2b30A1 SER 191 HA 0.01 0.08 0.47 -0.75 4.49 4.30 2b30A1 SER 191 HB2 -0.02 0.01 0.10 -0.04 3.95 3.99 2b30A1 SER 191 HB3 -0.02 -0.02 0.01 -0.04 3.93 3.85 2b30A1 LYS 192 H -0.00 0.24 0.02 -0.55 8.42 8.13 2b30A1 LYS 192 HA 0.01 0.03 0.33 -0.75 4.32 3.94 2b30A1 LYS 192 HB2 0.00 0.04 0.12 -0.04 1.87 1.99 2b30A1 LYS 192 HB3 0.01 0.04 0.01 -0.04 1.79 1.81 2b30A1 LYS 192 HG2 -0.00 -0.01 0.06 -0.04 1.46 1.47 2b30A1 LYS 192 HG3 -0.01 -0.02 0.10 -0.04 1.46 1.50 2b30A1 LYS 192 HD2 -0.00 0.05 0.06 -0.04 1.69 1.75 2b30A1 LYS 192 HD3 0.00 0.01 0.03 -0.04 1.68 1.68 2b30A1 LYS 192 HE2 -0.01 -0.03 0.03 -0.04 2.99 2.95 2b30A1 LYS 192 HE3 -0.01 0.02 0.05 -0.04 2.99 3.01 2b30A1 THR 193 H 0.02 0.08 -0.46 -0.55 8.28 7.37 2b30A1 THR 193 HA 0.02 0.07 0.28 -0.75 4.39 4.01 2b30A1 THR 193 HB 0.03 0.04 0.05 -0.04 4.32 4.40 2b30A1 THR 193 HG23 0.02 0.01 -0.05 -0.04 1.22 1.16 2b30A1 VAL 194 H 0.04 0.58 0.02 -0.55 8.24 8.32 2b30A1 VAL 194 HA 0.07 0.04 0.39 -0.75 4.13 3.88 2b30A1 VAL 194 HB 0.05 0.12 0.19 -0.04 2.12 2.44 2b30A1 VAL 194 HG13 0.09 -0.02 -0.13 -0.04 0.97 0.88 2b30A1 VAL 194 HG23 0.04 -0.01 0.08 -0.04 0.95 1.02 2b30A1 ILE 195 H 0.04 0.70 -0.03 -0.55 8.25 8.40 2b30A1 ILE 195 HA 0.05 0.02 0.43 -0.75 4.18 3.92 2b30A1 ILE 195 HB 0.02 0.09 -0.01 -0.04 1.89 1.95 2b30A1 ILE 195 HG12 0.03 -0.06 -0.08 -0.04 1.49 1.34 2b30A1 ILE 195 HG13 0.03 0.02 0.00 -0.04 1.21 1.22 2b30A1 ILE 195 HG23 0.02 -0.02 -0.19 -0.04 0.93 0.71 2b30A1 ILE 195 HD13 0.02 -0.02 -0.23 -0.04 0.88 0.62 2b30A1 GLY 196 H 0.03 0.50 -0.19 -0.55 8.43 8.23 2b30A1 GLY 196 HA2 0.02 -0.02 0.41 -0.51 4.01 3.91 2b30A1 GLY 196 HA3 0.03 0.13 0.33 -0.51 4.01 3.99 2b30A1 ASN 197 H 0.06 0.51 -0.10 -0.55 8.53 8.45 2b30A1 ASN 197 HA 0.05 0.02 0.37 -0.75 4.76 4.44 2b30A1 ASN 197 HB2 0.18 0.09 0.04 -0.04 2.88 3.15 2b30A1 ASN 197 HB3 0.16 -0.04 0.05 -0.04 2.79 2.92 2b30A1 ASN 197 HD21 0.04 -0.02 0.01 -0.04 7.03 7.01 2b30A1 ASN 197 HD22 0.04 -0.04 -0.02 -0.04 7.74 7.68 2b30A1 LEU 198 H 0.09 0.41 -0.35 -0.55 8.37 7.97 2b30A1 LEU 198 HA -0.08 0.02 0.55 -0.75 4.35 4.08 2b30A1 LEU 198 HB2 0.11 0.14 0.11 -0.04 1.64 1.97 2b30A1 LEU 198 HB3 0.04 0.07 0.15 -0.04 1.64 1.86 2b30A1 LEU 198 HG -0.02 -0.02 -0.15 -0.04 1.64 1.42 2b30A1 LEU 198 HD13 -0.05 -0.01 -0.04 -0.04 0.93 0.80 2b30A1 LEU 198 HD23 0.01 -0.02 -0.09 -0.04 0.89 0.75 2b30A1 LYS 199 H 0.02 0.87 0.01 -0.55 8.42 8.77 2b30A1 LYS 199 HA 0.01 0.01 0.29 -0.75 4.32 3.87 2b30A1 LYS 199 HB2 0.01 0.14 0.12 -0.04 1.87 2.10 2b30A1 LYS 199 HB3 -0.01 -0.07 0.06 -0.04 1.79 1.73 2b30A1 LYS 199 HG2 -0.02 -0.05 0.01 -0.04 1.46 1.36 2b30A1 LYS 199 HG3 0.00 0.08 -0.03 -0.04 1.46 1.48 2b30A1 LYS 199 HD2 0.00 -0.01 -0.04 -0.04 1.69 1.60 2b30A1 LYS 199 HD3 -0.01 -0.03 0.03 -0.04 1.68 1.62 2b30A1 LYS 199 HE2 -0.02 0.19 0.04 -0.04 2.99 3.16 2b30A1 LYS 199 HE3 0.01 -0.06 -0.10 -0.04 2.99 2.80 2b30A1 GLN 200 H -0.02 0.23 -0.53 -0.55 8.47 7.61 2b30A1 GLN 200 HA -0.04 0.14 0.92 -0.75 4.36 4.63 2b30A1 GLN 200 HB2 -0.03 -0.02 0.03 -0.04 2.15 2.09 2b30A1 GLN 200 HB3 -0.01 -0.02 -0.01 -0.04 2.02 1.94 2b30A1 GLN 200 HG2 0.00 0.17 0.09 -0.04 2.40 2.62 2b30A1 GLN 200 HG3 -0.02 0.08 -0.03 -0.04 2.39 2.38 2b30A1 GLN 200 HE21 0.01 -0.03 -0.05 -0.04 6.97 6.86 2b30A1 GLN 200 HE22 0.03 -0.03 -0.02 -0.04 7.69 7.62 2b30A1 LYS 201 H -0.12 0.42 -0.00 -0.55 8.42 8.17 2b30A1 LYS 201 HA -0.28 0.06 0.65 -0.75 4.32 4.00 2b30A1 LYS 201 HB2 -0.27 0.13 0.20 -0.04 1.87 1.89 2b30A1 LYS 201 HB3 -0.74 0.01 0.11 -0.04 1.79 1.12 2b30A1 LYS 201 HG2 -0.45 -0.04 0.01 -0.04 1.46 0.94 2b30A1 LYS 201 HG3 -1.20 -0.02 -0.05 -0.04 1.46 0.15 2b30A1 LYS 201 HD2 -0.25 0.03 0.12 -0.04 1.69 1.55 2b30A1 LYS 201 HD3 -0.06 -0.01 0.04 -0.04 1.68 1.61 2b30A1 LYS 201 HE2 0.05 -0.02 0.00 -0.04 2.99 2.98 2b30A1 LYS 201 HE3 -0.24 -0.01 0.01 -0.04 2.99 2.71 2b30A1 PHE 202 H -0.05 0.44 -0.23 -0.55 8.34 7.94 2b30A1 PHE 202 HA -0.08 0.23 0.71 -0.75 4.62 4.72 2b30A1 PHE 202 HB2 -0.13 0.07 0.01 -0.04 3.15 3.06 2b30A1 PHE 202 HB3 -0.09 -0.13 0.02 -0.04 3.06 2.82 2b30A1 PHE 202 HD2 -0.23 0.06 -0.05 -0.04 7.28 7.02 2b30A1 PHE 202 HE2 -0.58 -0.03 -0.12 -0.04 7.38 6.62 2b30A1 PHE 202 HZ -0.04 0.06 -0.26 -0.04 7.32 7.04 2b30A1 LYS 203 H -0.05 0.19 -0.49 -0.55 8.42 7.52 2b30A1 LYS 203 HA -0.01 0.04 0.71 -0.75 4.32 4.30 2b30A1 LYS 203 HB2 -0.03 0.13 0.26 -0.04 1.87 2.18 2b30A1 LYS 203 HB3 -0.03 -0.01 0.02 -0.04 1.79 1.73 2b30A1 LYS 203 HG2 -0.02 -0.16 0.12 -0.04 1.46 1.37 2b30A1 LYS 203 HG3 -0.02 0.07 0.14 -0.04 1.46 1.62 2b30A1 LYS 203 HD2 -0.02 0.01 0.04 -0.04 1.69 1.67 2b30A1 LYS 203 HD3 -0.02 0.01 -0.03 -0.04 1.68 1.60 2b30A1 LYS 203 HE2 -0.01 -0.05 0.01 -0.04 2.99 2.90 2b30A1 LYS 203 HE3 -0.01 -0.02 0.02 -0.04 2.99 2.94 2b30A1 ASN 204 H -0.01 0.12 0.19 -0.55 8.53 8.27 2b30A1 ASN 204 HA -0.01 -0.04 0.32 -0.75 4.76 4.28 2b30A1 ASN 204 HB2 -0.01 0.16 -0.06 -0.04 2.88 2.94 2b30A1 ASN 204 HB3 -0.00 -0.02 0.21 -0.04 2.79 2.94 2b30A1 ASN 204 HD21 -0.01 0.00 0.02 -0.04 7.03 7.00 2b30A1 ASN 204 HD22 -0.01 -0.01 0.04 -0.04 7.74 7.73 2b30A1 LYS 205 H 0.03 0.18 -0.40 -0.55 8.42 7.67 2b30A1 LYS 205 HA 0.04 0.10 0.63 -0.75 4.32 4.34 2b30A1 LYS 205 HB2 0.17 0.02 -0.10 -0.04 1.87 1.92 2b30A1 LYS 205 HB3 0.15 -0.12 0.05 -0.04 1.79 1.83 2b30A1 LYS 205 HG2 0.04 -0.08 0.03 -0.04 1.46 1.41 2b30A1 LYS 205 HG3 0.02 0.19 -0.60 -0.04 1.46 1.03 2b30A1 LYS 205 HD2 -0.02 0.01 -0.04 -0.04 1.69 1.60 2b30A1 LYS 205 HD3 -0.02 0.08 0.00 -0.04 1.68 1.70 2b30A1 LYS 205 HE2 0.16 -0.07 0.00 -0.04 2.99 3.04 2b30A1 LYS 205 HE3 0.05 -0.08 0.00 -0.04 2.99 2.93 2b30A1 LEU 206 H 0.02 0.26 0.20 -0.55 8.37 8.31 2b30A1 LEU 206 HA -0.01 0.03 0.70 -0.75 4.35 4.31 2b30A1 LEU 206 HB2 -0.04 0.05 -0.07 -0.04 1.64 1.53 2b30A1 LEU 206 HB3 -0.08 0.09 -0.09 -0.04 1.64 1.52 2b30A1 LEU 206 HG -0.03 0.04 -0.45 -0.04 1.64 1.16 2b30A1 LEU 206 HD13 -0.48 -0.01 -0.13 -0.04 0.93 0.27 2b30A1 LEU 206 HD23 -0.04 -0.03 -0.05 -0.04 0.89 0.72 2b30A1 THR 207 H -0.05 0.54 -0.03 -0.55 8.28 8.19 2b30A1 THR 207 HA -0.20 0.05 0.79 -0.75 4.39 4.28 2b30A1 THR 207 HB -0.08 -0.01 0.06 -0.04 4.32 4.25 2b30A1 THR 207 HG23 -0.45 0.01 -0.06 -0.04 1.22 0.68 2b30A1 ILE 208 H -0.26 0.22 0.09 -0.55 8.25 7.75 2b30A1 ILE 208 HA -0.11 0.32 1.08 -0.75 4.18 4.71 2b30A1 ILE 208 HB -0.08 -0.00 0.10 -0.04 1.89 1.87 2b30A1 ILE 208 HG12 -0.06 -0.02 -0.18 -0.04 1.49 1.19 2b30A1 ILE 208 HG13 -0.09 0.02 -0.54 -0.04 1.21 0.56 2b30A1 ILE 208 HG23 -0.02 -0.02 -0.21 -0.04 0.93 0.64 2b30A1 ILE 208 HD13 -0.02 0.03 -0.20 -0.04 0.88 0.65 2b30A1 PHE 209 H 0.01 0.54 0.21 -0.55 8.34 8.55 2b30A1 PHE 209 HA 0.01 0.17 0.89 -0.75 4.62 4.94 2b30A1 PHE 209 HB2 0.01 0.02 0.07 -0.04 3.15 3.21 2b30A1 PHE 209 HB3 0.02 -0.09 -0.01 -0.04 3.06 2.93 2b30A1 PHE 209 HD2 0.01 0.02 -0.03 -0.04 7.28 7.23 2b30A1 PHE 209 HE2 0.01 0.08 -0.00 -0.04 7.38 7.43 2b30A1 PHE 209 HZ 0.02 -0.01 0.01 -0.04 7.32 7.30 2b30A1 THR 210 H 0.21 0.13 0.17 -0.55 8.28 8.24 2b30A1 THR 210 HA 0.08 0.37 0.95 -0.75 4.39 5.04 2b30A1 THR 210 HB 0.07 -0.08 0.14 -0.04 4.32 4.41 2b30A1 THR 210 HG23 0.01 0.07 -0.12 -0.04 1.22 1.14 2b30A1 THR 211 H 0.09 0.87 0.24 -0.55 8.28 8.93 2b30A1 THR 211 HA 0.10 -0.00 0.42 -0.75 4.39 4.15 2b30A1 THR 211 HB 0.17 -0.23 0.07 -0.04 4.32 4.29 2b30A1 THR 211 HG23 0.23 -0.03 0.06 -0.04 1.22 1.43 2b30A1 TYR 212 H 0.22 0.11 0.17 -0.55 8.29 8.24 2b30A1 TYR 212 HA 0.02 0.13 0.58 -0.75 4.56 4.52 2b30A1 TYR 212 HB2 0.02 -0.04 0.15 -0.04 3.06 3.15 2b30A1 TYR 212 HB3 0.07 -0.03 0.09 -0.04 2.98 3.08 2b30A1 TYR 212 HD2 0.03 -0.05 -0.01 -0.04 7.15 7.08 2b30A1 TYR 212 HE2 0.01 0.04 0.02 -0.04 6.85 6.88 2b30A1 ASN 213 H 0.13 -0.04 -0.28 -0.55 8.53 7.79 2b30A1 ASN 213 HA -0.21 0.27 0.76 -0.75 4.76 4.82 2b30A1 ASN 213 HB2 0.19 -0.10 0.04 -0.04 2.88 2.96 2b30A1 ASN 213 HB3 -0.11 0.08 0.16 -0.04 2.79 2.88 2b30A1 ASN 213 HD21 0.16 0.04 0.00 -0.04 7.03 7.19 2b30A1 ASN 213 HD22 0.29 0.00 0.02 -0.04 7.74 8.01 2b30A1 GLY 214 H -0.11 0.48 -0.46 -0.55 8.43 7.79 2b30A1 GLY 214 HA2 -0.08 0.06 0.22 -0.51 4.01 3.70 2b30A1 GLY 214 HA3 -0.15 0.08 0.29 -0.51 4.01 3.72 2b30A1 HIS 215 H -0.13 -0.14 -0.24 -0.55 8.41 7.36 2b30A1 HIS 215 HA -0.00 0.23 0.76 -0.75 4.63 4.86 2b30A1 HIS 215 HB2 0.04 -0.17 -0.07 -0.04 3.26 3.03 2b30A1 HIS 215 HB3 -0.02 0.23 0.00 -0.04 3.20 3.36 2b30A1 HIS 215 HD2 0.20 -0.15 -0.07 -0.04 6.97 6.91 2b30A1 HIS 215 HE1 0.01 0.14 0.04 -0.04 7.75 7.89 2b30A1 ALA 216 H 0.08 0.58 0.24 -0.55 8.40 8.75 2b30A1 ALA 216 HA 0.06 0.29 0.99 -0.75 4.34 4.93 2b30A1 ALA 216 HB3 0.02 0.01 0.04 -0.04 1.41 1.43 2b30A1 GLU 217 H 0.09 0.60 0.23 -0.55 8.60 8.97 2b30A1 GLU 217 HA 0.01 0.15 0.95 -0.75 4.29 4.65 2b30A1 GLU 217 HB2 0.13 -0.07 0.09 -0.04 2.09 2.20 2b30A1 GLU 217 HB3 0.07 0.04 -0.07 -0.04 1.99 2.00 2b30A1 GLU 217 HG2 -0.01 0.07 -0.06 -0.04 2.34 2.30 2b30A1 GLU 217 HG3 0.05 -0.05 -0.20 -0.04 2.34 2.09 2b30A1 VAL 218 H -0.02 0.68 0.27 -0.55 8.24 8.62 2b30A1 VAL 218 HA -0.05 0.32 1.01 -0.75 4.13 4.65 2b30A1 VAL 218 HB -0.06 -0.14 0.27 -0.04 2.12 2.15 2b30A1 VAL 218 HG13 -0.12 0.01 -0.15 -0.04 0.97 0.67 2b30A1 VAL 218 HG23 -0.08 0.01 -0.13 -0.04 0.95 0.71 2b30A1 THR 219 H -0.04 0.69 0.37 -0.55 8.28 8.75 2b30A1 THR 219 HA -0.00 0.26 0.96 -0.75 4.39 4.85 2b30A1 THR 219 HB 0.02 0.02 0.16 -0.04 4.32 4.49 2b30A1 THR 219 HG23 0.02 0.03 -0.14 -0.04 1.22 1.09 2b30A1 LYS 220 H 0.01 0.22 0.15 -0.55 8.42 8.25 2b30A1 LYS 220 HA 0.04 0.01 0.50 -0.75 4.32 4.11 2b30A1 LYS 220 HB2 0.01 0.00 -0.11 -0.04 1.87 1.73 2b30A1 LYS 220 HB3 0.11 0.02 -0.05 -0.04 1.79 1.84 2b30A1 LYS 220 HG2 0.16 0.19 -0.04 -0.04 1.46 1.73 2b30A1 LYS 220 HG3 0.07 -0.15 0.06 -0.04 1.46 1.40 2b30A1 LYS 220 HD2 0.00 -0.00 -0.22 -0.04 1.69 1.43 2b30A1 LYS 220 HD3 0.22 0.02 -0.10 -0.04 1.68 1.78 2b30A1 LYS 220 HE2 0.10 0.02 0.01 -0.04 2.99 3.08 2b30A1 LYS 220 HE3 0.05 -0.07 0.04 -0.04 2.99 2.97 2b30A1 LEU 221 H 0.05 0.16 0.15 -0.55 8.37 8.18 2b30A1 LEU 221 HA -0.01 -0.01 0.32 -0.75 4.35 3.91 2b30A1 LEU 221 HB2 0.01 0.05 -0.41 -0.04 1.64 1.25 2b30A1 LEU 221 HB3 0.02 0.04 -0.06 -0.04 1.64 1.59 2b30A1 LEU 221 HG -0.02 0.03 -0.22 -0.04 1.64 1.38 2b30A1 LEU 221 HD13 -0.03 -0.04 -0.17 -0.04 0.93 0.66 2b30A1 LEU 221 HD23 0.00 0.03 -0.28 -0.04 0.89 0.60 2b30A1 GLY 222 H -0.03 0.11 0.09 -0.55 8.43 8.05 2b30A1 GLY 222 HA2 -0.07 -0.00 0.27 -0.51 4.01 3.69 2b30A1 GLY 222 HA3 -0.15 0.14 0.42 -0.51 4.01 3.91 2b30A1 HIS 223 H 0.05 0.24 -0.26 -0.55 8.41 7.90 2b30A1 HIS 223 HA 0.06 0.12 0.90 -0.75 4.63 4.96 2b30A1 HIS 223 HB2 0.02 0.06 -0.09 -0.04 3.26 3.22 2b30A1 HIS 223 HB3 0.03 0.05 -0.17 -0.04 3.20 3.07 2b30A1 HIS 223 HD2 0.00 -0.00 -0.34 -0.04 6.97 6.59 2b30A1 HIS 223 HE1 0.04 0.00 -0.07 -0.04 7.75 7.67 2b30A1 ASP 224 H 0.18 0.11 0.14 -0.55 8.40 8.28 2b30A1 ASP 224 HA 0.25 0.30 0.31 -0.75 4.63 4.74 2b30A1 ASP 224 HB2 0.25 -0.10 0.18 -0.04 2.71 3.01 2b30A1 ASP 224 HB3 0.28 0.18 -0.04 -0.04 2.70 3.07 2b30A1 LYS 225 H 0.10 0.20 0.03 -0.55 8.42 8.20 2b30A1 LYS 225 HA 0.07 0.06 0.21 -0.75 4.32 3.90 2b30A1 LYS 225 HB2 0.07 -0.01 0.07 -0.04 1.87 1.96 2b30A1 LYS 225 HB3 0.08 0.07 -0.09 -0.04 1.79 1.81 2b30A1 LYS 225 HG2 0.01 -0.04 -0.20 -0.04 1.46 1.19 2b30A1 LYS 225 HG3 -0.01 0.01 -0.04 -0.04 1.46 1.37 2b30A1 LYS 225 HD2 -0.01 0.04 -0.04 -0.04 1.69 1.64 2b30A1 LYS 225 HD3 0.01 0.05 -0.29 -0.04 1.68 1.41 2b30A1 LYS 225 HE2 -0.03 -0.20 -0.28 -0.04 2.99 2.43 2b30A1 LYS 225 HE3 -0.09 0.03 -0.18 -0.04 2.99 2.71 2b30A1 TYR 226 H 0.24 0.03 -0.26 -0.55 8.29 7.75 2b30A1 TYR 226 HA 0.17 0.13 0.22 -0.75 4.56 4.32 2b30A1 TYR 226 HB2 0.06 -0.09 -0.34 -0.04 3.06 2.66 2b30A1 TYR 226 HB3 0.05 -0.04 -0.11 -0.04 2.98 2.83 2b30A1 TYR 226 HD2 0.06 -0.05 -0.13 -0.04 7.15 6.99 2b30A1 TYR 226 HE2 -0.56 0.05 -0.10 -0.04 6.85 6.19 2b30A1 THR 227 H 0.15 0.01 -0.27 -0.55 8.28 7.62 2b30A1 THR 227 HA -0.12 0.12 0.35 -0.75 4.39 3.98 2b30A1 THR 227 HB 0.10 0.09 0.03 -0.04 4.32 4.50 2b30A1 THR 227 HG23 0.06 0.04 0.01 -0.04 1.22 1.28 2b30A1 GLY 228 H 0.12 0.31 -0.19 -0.55 8.43 8.11 2b30A1 GLY 228 HA2 0.12 0.13 0.54 -0.51 4.01 4.28 2b30A1 GLY 228 HA3 0.05 -0.01 0.31 -0.51 4.01 3.85 2b30A1 ILE 229 H 0.09 0.69 -0.04 -0.55 8.25 8.44 2b30A1 ILE 229 HA 0.09 -0.02 0.33 -0.75 4.18 3.83 2b30A1 ILE 229 HB 0.17 0.11 0.08 -0.04 1.89 2.21 2b30A1 ILE 229 HG12 0.07 0.00 -0.09 -0.04 1.49 1.43 2b30A1 ILE 229 HG13 0.08 -0.04 -0.03 -0.04 1.21 1.18 2b30A1 ILE 229 HG23 0.22 0.00 -0.27 -0.04 0.93 0.85 2b30A1 ILE 229 HD13 0.19 -0.04 -0.24 -0.04 0.88 0.75 2b30A1 ASN 230 H -0.01 0.33 -0.53 -0.55 8.53 7.77 2b30A1 ASN 230 HA 0.00 0.02 0.35 -0.75 4.76 4.38 2b30A1 ASN 230 HB2 -0.13 0.20 0.10 -0.04 2.88 3.01 2b30A1 ASN 230 HB3 -0.15 -0.03 0.00 -0.04 2.79 2.57 2b30A1 ASN 230 HD21 -0.62 -0.02 -0.07 -0.04 7.03 6.28 2b30A1 ASN 230 HD22 -0.27 -0.00 -0.02 -0.04 7.74 7.40 2b30A1 TYR 231 H 0.29 0.43 -0.29 -0.55 8.29 8.17 2b30A1 TYR 231 HA 0.03 0.05 0.51 -0.75 4.56 4.39 2b30A1 TYR 231 HB2 0.01 0.21 0.10 -0.04 3.06 3.34 2b30A1 TYR 231 HB3 0.00 -0.07 -0.06 -0.04 2.98 2.82 2b30A1 TYR 231 HD2 0.01 0.07 0.10 -0.04 7.15 7.29 2b30A1 TYR 231 HE2 0.04 0.01 0.00 -0.04 6.85 6.85 2b30A1 LEU 232 H 0.18 0.32 -0.27 -0.55 8.37 8.05 2b30A1 LEU 232 HA 0.25 0.01 0.42 -0.75 4.35 4.28 2b30A1 LEU 232 HB2 0.15 0.20 0.08 -0.04 1.64 2.03 2b30A1 LEU 232 HB3 0.24 0.01 -0.07 -0.04 1.64 1.78 2b30A1 LEU 232 HG 0.13 0.00 -0.08 -0.04 1.64 1.65 2b30A1 LEU 232 HD13 0.10 -0.01 -0.16 -0.04 0.93 0.82 2b30A1 LEU 232 HD23 0.24 0.03 -0.07 -0.04 0.89 1.04 2b30A1 LEU 233 H 0.13 0.37 -0.13 -0.55 8.37 8.19 2b30A1 LEU 233 HA 0.15 0.03 0.41 -0.75 4.35 4.18 2b30A1 LEU 233 HB2 0.07 0.04 0.09 -0.04 1.64 1.80 2b30A1 LEU 233 HB3 0.11 0.21 0.03 -0.04 1.64 1.95 2b30A1 LEU 233 HG 0.14 0.14 -0.11 -0.04 1.64 1.76 2b30A1 LEU 233 HD13 0.29 -0.02 -0.12 -0.04 0.93 1.04 2b30A1 LEU 233 HD23 0.13 -0.01 -0.19 -0.04 0.89 0.78 2b30A1 LYS 234 H 0.04 0.55 -0.18 -0.55 8.42 8.28 2b30A1 LYS 234 HA 0.01 0.04 0.45 -0.75 4.32 4.07 2b30A1 LYS 234 HB2 -0.05 0.08 0.18 -0.04 1.87 2.03 2b30A1 LYS 234 HB3 -0.04 -0.03 -0.00 -0.04 1.79 1.68 2b30A1 LYS 234 HG2 -0.05 -0.01 0.02 -0.04 1.46 1.39 2b30A1 LYS 234 HG3 -0.13 -0.04 -0.01 -0.04 1.46 1.25 2b30A1 LYS 234 HD2 -0.03 0.01 0.03 -0.04 1.69 1.66 2b30A1 LYS 234 HD3 -0.04 -0.03 -0.02 -0.04 1.68 1.56 2b30A1 LYS 234 HE2 -0.08 -0.02 -0.01 -0.04 2.99 2.83 2b30A1 LYS 234 HE3 -0.07 0.01 -0.01 -0.04 2.99 2.89 2b30A1 HIS 235 H 0.12 0.56 -0.10 -0.55 8.41 8.45 2b30A1 HIS 235 HA -0.12 0.01 0.36 -0.75 4.63 4.12 2b30A1 HIS 235 HB2 -0.05 0.12 0.15 -0.04 3.26 3.44 2b30A1 HIS 235 HB3 -0.27 0.00 0.11 -0.04 3.20 3.00 2b30A1 HIS 235 HD2 -1.27 -0.03 -0.05 -0.04 6.97 5.58 2b30A1 HIS 235 HE1 -0.18 -0.01 0.01 -0.04 7.75 7.52 2b30A1 TYR 236 H 0.15 0.38 -0.37 -0.55 8.29 7.90 2b30A1 TYR 236 HA -0.03 0.16 0.81 -0.75 4.56 4.75 2b30A1 TYR 236 HB2 0.08 0.12 0.05 -0.04 3.06 3.26 2b30A1 TYR 236 HB3 0.05 0.00 0.13 -0.04 2.98 3.12 2b30A1 TYR 236 HD2 0.09 0.11 0.04 -0.04 7.15 7.35 2b30A1 TYR 236 HE2 0.13 -0.05 0.04 -0.04 6.85 6.93 2b30A1 ASN 237 H 0.05 0.25 -0.39 -0.55 8.53 7.90 2b30A1 ASN 237 HA 0.05 0.04 0.33 -0.75 4.76 4.42 2b30A1 ASN 237 HB2 0.01 0.01 -0.08 -0.04 2.88 2.78 2b30A1 ASN 237 HB3 0.04 0.09 -0.09 -0.04 2.79 2.79 2b30A1 ASN 237 HD21 0.02 -0.06 0.04 -0.04 7.03 6.99 2b30A1 ASN 237 HD22 0.02 0.02 0.05 -0.04 7.74 7.80 2b30A1 ILE 238 H 0.12 0.27 -0.14 -0.55 8.25 7.96 2b30A1 ILE 238 HA 0.08 0.11 0.74 -0.75 4.18 4.35 2b30A1 ILE 238 HB 0.12 -0.10 0.02 -0.04 1.89 1.89 2b30A1 ILE 238 HG12 0.07 0.05 -0.06 -0.04 1.49 1.52 2b30A1 ILE 238 HG13 0.15 0.10 -0.21 -0.04 1.21 1.21 2b30A1 ILE 238 HG23 0.08 0.01 -0.22 -0.04 0.93 0.76 2b30A1 ILE 238 HD13 0.04 -0.02 -0.12 -0.04 0.88 0.74 2b30A1 SER 239 H 0.08 0.15 0.14 -0.55 8.46 8.29 2b30A1 SER 239 HA 0.10 0.14 0.52 -0.75 4.49 4.49 2b30A1 SER 239 HB2 0.08 -0.06 0.12 -0.04 3.95 4.05 2b30A1 SER 239 HB3 0.07 0.12 0.07 -0.04 3.93 4.15 2b30A1 ASN 240 H 0.14 0.16 0.15 -0.55 8.53 8.43 2b30A1 ASN 240 HA 0.41 0.09 0.45 -0.75 4.76 4.96 2b30A1 ASN 240 HB2 0.16 0.03 0.14 -0.04 2.88 3.17 2b30A1 ASN 240 HB3 0.11 -0.06 0.17 -0.04 2.79 2.97 2b30A1 ASN 240 HD21 -0.18 0.65 0.35 -0.04 7.03 7.81 2b30A1 ASN 240 HD22 -0.12 -0.11 0.07 -0.04 7.74 7.54 2b30A1 ASP 241 H 0.12 0.08 -0.04 -0.55 8.40 8.01 2b30A1 ASP 241 HA 0.15 0.06 0.44 -0.75 4.63 4.53 2b30A1 ASP 241 HB2 0.10 -0.11 0.00 -0.04 2.71 2.67 2b30A1 ASP 241 HB3 0.13 0.09 -0.18 -0.04 2.70 2.71 2b30A1 GLN 242 H 0.14 0.31 -0.68 -0.55 8.47 7.69 2b30A1 GLN 242 HA 0.12 0.19 0.42 -0.75 4.36 4.34 2b30A1 GLN 242 HB2 0.09 0.09 0.08 -0.04 2.15 2.36 2b30A1 GLN 242 HB3 0.07 -0.13 0.25 -0.04 2.02 2.18 2b30A1 GLN 242 HG2 0.07 0.31 0.04 -0.04 2.40 2.78 2b30A1 GLN 242 HG3 0.09 -0.18 -0.09 -0.04 2.39 2.17 2b30A1 GLN 242 HE21 0.04 0.02 0.06 -0.04 6.97 7.05 2b30A1 GLN 242 HE22 0.05 0.07 0.04 -0.04 7.69 7.80 2b30A1 VAL 243 H 0.17 0.59 -0.21 -0.55 8.24 8.24 2b30A1 VAL 243 HA -0.02 0.14 0.82 -0.75 4.13 4.31 2b30A1 VAL 243 HB -0.13 0.04 0.17 -0.04 2.12 2.16 2b30A1 VAL 243 HG13 -0.77 -0.03 -0.25 -0.04 0.97 -0.13 2b30A1 VAL 243 HG23 0.04 0.04 -0.17 -0.04 0.95 0.82 2b30A1 LEU 244 H -0.01 0.64 0.38 -0.55 8.37 8.83 2b30A1 LEU 244 HA 0.15 0.31 1.07 -0.75 4.35 5.13 2b30A1 LEU 244 HB2 0.05 0.02 0.04 -0.04 1.64 1.71 2b30A1 LEU 244 HB3 -0.03 -0.03 0.15 -0.04 1.64 1.69 2b30A1 LEU 244 HG 0.20 0.16 -0.05 -0.04 1.64 1.91 2b30A1 LEU 244 HD13 0.01 -0.01 -0.07 -0.04 0.93 0.82 2b30A1 LEU 244 HD23 -0.10 -0.06 -0.25 -0.04 0.89 0.44 2b30A1 VAL 245 H 0.14 0.69 0.33 -0.55 8.24 8.86 2b30A1 VAL 245 HA -0.00 0.32 1.04 -0.75 4.13 4.74 2b30A1 VAL 245 HB -0.17 -0.01 -0.26 -0.04 2.12 1.64 2b30A1 VAL 245 HG13 0.12 0.05 -0.16 -0.04 0.97 0.94 2b30A1 VAL 245 HG23 0.05 -0.04 -0.15 -0.04 0.95 0.78 2b30A1 VAL 246 H 0.04 0.46 0.38 -0.55 8.24 8.57 2b30A1 VAL 246 HA 0.12 0.43 0.97 -0.75 4.13 4.91 2b30A1 VAL 246 HB 0.09 0.12 -0.16 -0.04 2.12 2.12 2b30A1 VAL 246 HG13 0.01 -0.02 -0.01 -0.04 0.97 0.91 2b30A1 VAL 246 HG23 0.07 -0.00 -0.10 -0.04 0.95 0.87 2b30A1 GLY 247 H 0.06 0.62 0.41 -0.55 8.43 8.97 2b30A1 GLY 247 HA2 0.01 0.04 0.66 -0.51 4.01 4.20 2b30A1 GLY 247 HA3 0.02 -0.03 0.29 -0.51 4.01 3.77 2b30A1 ASP 248 H -0.02 -0.12 0.20 -0.55 8.40 7.91 2b30A1 ASP 248 HA -0.03 0.23 1.00 -0.75 4.63 5.08 2b30A1 ASP 248 HB2 -0.13 0.07 -0.01 -0.04 2.71 2.60 2b30A1 ASP 248 HB3 -0.09 0.09 -0.42 -0.04 2.70 2.23 2b30A1 ALA 249 H -0.03 -0.05 0.20 -0.55 8.40 7.97 2b30A1 ALA 249 HA 0.01 0.28 0.91 -0.75 4.34 4.79 2b30A1 ALA 249 HB3 -0.00 0.02 0.08 -0.04 1.41 1.46 2b30A1 GLU 250 H -0.01 0.28 0.20 -0.55 8.60 8.52 2b30A1 GLU 250 HA -0.03 0.13 0.45 -0.75 4.29 4.09 2b30A1 GLU 250 HB2 0.05 0.09 0.22 -0.04 2.09 2.41 2b30A1 GLU 250 HB3 0.02 -0.01 0.17 -0.04 1.99 2.12 2b30A1 GLU 250 HG2 0.26 -0.00 -0.00 -0.04 2.34 2.55 2b30A1 GLU 250 HG3 0.09 0.04 0.11 -0.04 2.34 2.54 2b30A1 ASN 251 H -0.29 0.08 -0.13 -0.55 8.53 7.65 2b30A1 ASN 251 HA -1.30 0.21 0.53 -0.75 4.76 3.45 2b30A1 ASN 251 HB2 -0.62 0.03 0.13 -0.04 2.88 2.38 2b30A1 ASN 251 HB3 -0.91 0.05 0.05 -0.04 2.79 1.94 2b30A1 ASN 251 HD21 -0.07 -0.08 0.00 -0.04 7.03 6.84 2b30A1 ASN 251 HD22 -0.12 0.04 -0.03 -0.04 7.74 7.60 2b30A1 ASP 252 H -0.16 0.36 -0.58 -0.55 8.40 7.48 2b30A1 ASP 252 HA -0.05 0.18 0.82 -0.75 4.63 4.83 2b30A1 ASP 252 HB2 -0.04 0.14 0.02 -0.04 2.71 2.78 2b30A1 ASP 252 HB3 -0.01 0.11 0.01 -0.04 2.70 2.77 2b30A1 ILE 253 H -0.12 0.36 -0.09 -0.55 8.25 7.85 2b30A1 ILE 253 HA -0.07 0.11 0.10 -0.75 4.18 3.57 2b30A1 ILE 253 HB -0.13 0.06 0.13 -0.04 1.89 1.90 2b30A1 ILE 253 HG12 -0.08 0.06 -0.21 -0.04 1.49 1.21 2b30A1 ILE 253 HG13 -0.07 0.00 0.03 -0.04 1.21 1.13 2b30A1 ILE 253 HG23 -0.56 0.04 -0.17 -0.04 0.93 0.19 2b30A1 ILE 253 HD13 -0.05 0.02 0.02 -0.04 0.88 0.82 2b30A1 ALA 254 H -0.05 0.06 -0.21 -0.55 8.40 7.66 2b30A1 ALA 254 HA -0.15 0.20 0.42 -0.75 4.34 4.06 2b30A1 ALA 254 HB3 0.01 -0.01 -0.01 -0.04 1.41 1.36 2b30A1 MET 255 H 0.03 0.08 -0.36 -0.55 8.47 7.67 2b30A1 MET 255 HA 0.12 0.16 0.56 -0.75 4.52 4.61 2b30A1 MET 255 HB2 0.41 0.09 -0.07 -0.04 2.15 2.54 2b30A1 MET 255 HB3 0.24 -0.21 -0.10 -0.04 2.03 1.92 2b30A1 MET 255 HG2 0.07 0.05 0.01 -0.04 2.63 2.72 2b30A1 MET 255 HG3 0.13 0.10 -0.39 -0.04 2.56 2.36 2b30A1 MET 255 HE3 0.04 0.01 -0.10 -0.04 2.10 2.01 2b30A1 LEU 256 H 0.02 0.30 -0.23 -0.55 8.37 7.90 2b30A1 LEU 256 HA 0.08 0.07 0.44 -0.75 4.35 4.18 2b30A1 LEU 256 HB2 0.02 -0.00 -0.14 -0.04 1.64 1.48 2b30A1 LEU 256 HB3 0.03 0.07 -0.29 -0.04 1.64 1.42 2b30A1 LEU 256 HG 0.03 0.05 -0.17 -0.04 1.64 1.51 2b30A1 LEU 256 HD13 0.02 -0.05 -0.32 -0.04 0.93 0.54 2b30A1 LEU 256 HD23 0.05 -0.01 -0.29 -0.04 0.89 0.60 2b30A1 SER 257 H -0.06 0.28 -0.23 -0.55 8.46 7.91 2b30A1 SER 257 HA 0.00 0.42 0.52 -0.75 4.49 4.68 2b30A1 SER 257 HB2 -0.13 -0.09 0.11 -0.04 3.95 3.80 2b30A1 SER 257 HB3 -0.02 -0.02 -0.03 -0.04 3.93 3.82 2b30A1 ASN 258 H -0.32 0.19 -0.22 -0.55 8.53 7.63 2b30A1 ASN 258 HA -0.28 0.15 0.43 -0.75 4.76 4.31 2b30A1 ASN 258 HB2 -1.36 0.00 0.04 -0.04 2.88 1.53 2b30A1 ASN 258 HB3 -0.69 -0.05 0.09 -0.04 2.79 2.10 2b30A1 ASN 258 HD21 -0.34 -0.12 0.00 -0.04 7.03 6.53 2b30A1 ASN 258 HD22 -0.56 0.61 0.21 -0.04 7.74 7.97 2b30A1 PHE 259 H -0.03 0.20 -0.54 -0.55 8.34 7.42 2b30A1 PHE 259 HA -0.01 0.12 0.87 -0.75 4.62 4.85 2b30A1 PHE 259 HB2 0.01 0.15 -0.04 -0.04 3.15 3.23 2b30A1 PHE 259 HB3 0.03 0.01 -0.07 -0.04 3.06 3.00 2b30A1 PHE 259 HD2 0.09 0.18 0.04 -0.04 7.28 7.55 2b30A1 PHE 259 HE2 0.24 -0.10 -0.08 -0.04 7.38 7.40 2b30A1 PHE 259 HZ 0.16 -0.04 -0.15 -0.04 7.32 7.26 2b30A1 LYS 260 H 0.11 0.13 0.09 -0.55 8.42 8.20 2b30A1 LYS 260 HA -0.17 0.18 0.52 -0.75 4.32 4.09 2b30A1 LYS 260 HB2 -0.18 -0.06 0.03 -0.04 1.87 1.62 2b30A1 LYS 260 HB3 -0.55 0.03 0.11 -0.04 1.79 1.34 2b30A1 LYS 260 HG2 -0.70 0.07 -0.14 -0.04 1.46 0.65 2b30A1 LYS 260 HG3 -0.27 -0.02 0.03 -0.04 1.46 1.16 2b30A1 LYS 260 HD2 -0.70 0.03 -0.01 -0.04 1.69 0.97 2b30A1 LYS 260 HD3 -0.31 0.05 -0.03 -0.04 1.68 1.35 2b30A1 LYS 260 HE2 -0.10 -0.01 -0.01 -0.04 2.99 2.84 2b30A1 LYS 260 HE3 -0.12 -0.05 -0.01 -0.04 2.99 2.77 2b30A1 TYR 261 H -0.04 0.18 0.07 -0.55 8.29 7.96 2b30A1 TYR 261 HA -0.09 0.25 0.78 -0.75 4.56 4.74 2b30A1 TYR 261 HB2 0.10 0.06 0.25 -0.04 3.06 3.44 2b30A1 TYR 261 HB3 0.27 -0.03 0.12 -0.04 2.98 3.30 2b30A1 TYR 261 HD2 0.08 0.13 0.00 -0.04 7.15 7.33 2b30A1 TYR 261 HE2 0.05 0.16 0.02 -0.04 6.85 7.04 2b30A1 SER 262 H -0.24 0.46 -0.23 -0.55 8.46 7.91 2b30A1 SER 262 HA 0.07 0.20 0.91 -0.75 4.49 4.91 2b30A1 SER 262 HB2 0.03 -0.18 0.01 -0.04 3.95 3.77 2b30A1 SER 262 HB3 0.07 0.01 -0.14 -0.04 3.93 3.82 2b30A1 PHE 263 H 0.17 0.53 0.37 -0.55 8.34 8.86 2b30A1 PHE 263 HA 0.03 0.38 1.09 -0.75 4.62 5.37 2b30A1 PHE 263 HB2 0.02 -0.03 0.11 -0.04 3.15 3.20 2b30A1 PHE 263 HB3 0.03 -0.06 -0.06 -0.04 3.06 2.92 2b30A1 PHE 263 HD2 0.04 0.07 -0.20 -0.04 7.28 7.14 2b30A1 PHE 263 HE2 0.07 -0.00 -0.15 -0.04 7.38 7.26 2b30A1 PHE 263 HZ 0.08 0.10 -0.23 -0.04 7.32 7.23 2b30A1 ALA 264 H 0.10 0.62 0.30 -0.55 8.40 8.87 2b30A1 ALA 264 HA 0.05 0.13 1.04 -0.75 4.34 4.81 2b30A1 ALA 264 HB3 0.03 0.02 -0.08 -0.04 1.41 1.34 2b30A1 VAL 265 H 0.01 0.34 0.26 -0.55 8.24 8.30 2b30A1 VAL 265 HA 0.02 0.11 0.54 -0.75 4.13 4.05 2b30A1 VAL 265 HB -0.04 -0.23 0.16 -0.04 2.12 1.97 2b30A1 VAL 265 HG13 0.01 0.03 0.03 -0.04 0.97 0.99 2b30A1 VAL 265 HG23 -0.09 0.12 0.02 -0.04 0.95 0.96 2b30A1 ALA 266 H -0.02 0.45 0.20 -0.55 8.40 8.48 2b30A1 ALA 266 HA -0.01 0.21 0.39 -0.75 4.34 4.18 2b30A1 ALA 266 HB3 -0.03 -0.03 -0.28 -0.04 1.41 1.03 2b30A1 ASN 267 H -0.05 -0.10 -0.21 -0.55 8.53 7.62 2b30A1 ASN 267 HA -0.04 0.24 0.66 -0.75 4.76 4.86 2b30A1 ASN 267 HB2 -0.21 0.04 0.19 -0.04 2.88 2.86 2b30A1 ASN 267 HB3 -0.05 -0.04 0.10 -0.04 2.79 2.76 2b30A1 ASN 267 HD21 -0.91 0.48 0.16 -0.04 7.03 6.72 2b30A1 ASN 267 HD22 -0.63 -0.02 0.02 -0.04 7.74 7.06 2b30A1 ALA 268 H -0.04 0.58 -0.50 -0.55 8.40 7.89 2b30A1 ALA 268 HA -0.07 -0.07 0.46 -0.75 4.34 3.91 2b30A1 ALA 268 HB3 -0.01 -0.02 0.11 -0.04 1.41 1.45 2b30A1 THR 269 H 0.01 0.67 0.42 -0.55 8.28 8.82 2b30A1 THR 269 HA 0.06 0.17 0.64 -0.75 4.39 4.50 2b30A1 THR 269 HB 0.08 0.05 0.26 -0.04 4.32 4.67 2b30A1 THR 269 HG23 0.03 -0.05 0.04 -0.04 1.22 1.20 2b30A1 ASP 270 H 0.04 0.17 0.18 -0.55 8.40 8.24 2b30A1 ASP 270 HA 0.02 0.17 0.25 -0.75 4.63 4.32 2b30A1 ASP 270 HB2 0.03 -0.08 0.13 -0.04 2.71 2.75 2b30A1 ASP 270 HB3 0.02 0.07 -0.03 -0.04 2.70 2.72 2b30A1 SER 271 H 0.05 0.02 -0.20 -0.55 8.46 7.78 2b30A1 SER 271 HA 0.11 0.16 0.43 -0.75 4.49 4.43 2b30A1 SER 271 HB2 0.08 0.06 0.06 -0.04 3.95 4.10 2b30A1 SER 271 HB3 0.06 -0.13 0.02 -0.04 3.93 3.84 2b30A1 ALA 272 H 0.05 0.06 -0.30 -0.55 8.40 7.67 2b30A1 ALA 272 HA 0.06 0.02 0.23 -0.75 4.34 3.90 2b30A1 ALA 272 HB3 0.01 0.01 -0.21 -0.04 1.41 1.19 2b30A1 LYS 273 H 0.03 0.48 -0.33 -0.55 8.42 8.05 2b30A1 LYS 273 HA 0.02 -0.01 0.27 -0.75 4.32 3.85 2b30A1 LYS 273 HB2 0.01 0.06 0.01 -0.04 1.87 1.91 2b30A1 LYS 273 HB3 0.01 0.02 -0.11 -0.04 1.79 1.66 2b30A1 LYS 273 HG2 0.01 -0.00 -0.09 -0.04 1.46 1.34 2b30A1 LYS 273 HG3 0.01 -0.03 -0.27 -0.04 1.46 1.13 2b30A1 LYS 273 HD2 0.01 -0.09 -0.16 -0.04 1.69 1.42 2b30A1 LYS 273 HD3 0.01 -0.02 -0.07 -0.04 1.68 1.55 2b30A1 LYS 273 HE2 0.00 -0.03 -0.00 -0.04 2.99 2.91 2b30A1 LYS 273 HE3 0.00 0.18 -0.10 -0.04 2.99 3.04 2b30A1 SER 274 H 0.02 0.27 -0.30 -0.55 8.46 7.90 2b30A1 SER 274 HA -0.05 0.14 0.50 -0.75 4.49 4.33 2b30A1 SER 274 HB2 -0.14 -0.01 -0.01 -0.04 3.95 3.76 2b30A1 SER 274 HB3 -0.05 -0.05 0.04 -0.04 3.93 3.82 2b30A1 HIS 275 H 0.10 0.27 -0.15 -0.55 8.41 8.08 2b30A1 HIS 275 HA -0.04 0.08 0.40 -0.75 4.63 4.32 2b30A1 HIS 275 HB2 -0.02 -0.06 0.03 -0.04 3.26 3.17 2b30A1 HIS 275 HB3 -0.04 -0.03 -0.08 -0.04 3.20 3.01 2b30A1 HIS 275 HD2 -0.01 0.10 0.00 -0.04 6.97 7.02 2b30A1 HIS 275 HE1 -0.02 -0.01 -0.04 -0.04 7.75 7.63 2b30A1 ALA 276 H 0.03 0.22 -0.43 -0.55 8.40 7.68 2b30A1 ALA 276 HA -0.02 0.17 0.38 -0.75 4.34 4.11 2b30A1 ALA 276 HB3 -0.02 -0.02 -0.21 -0.04 1.41 1.12 2b30A1 LYS 277 H -0.18 0.26 0.19 -0.55 8.42 8.14 2b30A1 LYS 277 HA -0.11 0.10 0.55 -0.75 4.32 4.11 2b30A1 LYS 277 HB2 -0.21 0.07 0.29 -0.04 1.87 1.97 2b30A1 LYS 277 HB3 -0.38 0.02 0.23 -0.04 1.79 1.62 2b30A1 LYS 277 HG2 -0.11 -0.09 0.09 -0.04 1.46 1.31 2b30A1 LYS 277 HG3 -0.12 -0.03 0.15 -0.04 1.46 1.42 2b30A1 LYS 277 HD2 -0.21 0.10 0.22 -0.04 1.69 1.76 2b30A1 LYS 277 HD3 -0.09 -0.11 0.08 -0.04 1.68 1.52 2b30A1 LYS 277 HE2 -0.06 -0.12 0.07 -0.04 2.99 2.83 2b30A1 LYS 277 HE3 -0.17 -0.01 0.11 -0.04 2.99 2.89 2b30A1 CYS 278 H -0.20 0.21 0.06 -0.55 8.50 8.02 2b30A1 CYS 278 HA -0.02 0.12 0.83 -0.75 4.58 4.77 2b30A1 CYS 278 HB2 -0.11 0.10 -0.33 -0.04 2.97 2.58 2b30A1 CYS 278 HB3 -0.28 -0.03 -0.01 -0.04 2.97 2.61 2b30A1 VAL 279 H 0.04 0.19 0.12 -0.55 8.24 8.04 2b30A1 VAL 279 HA 0.07 0.11 0.83 -0.75 4.13 4.38 2b30A1 VAL 279 HB 0.03 -0.04 0.07 -0.04 2.12 2.14 2b30A1 VAL 279 HG13 0.02 0.05 -0.15 -0.04 0.97 0.85 2b30A1 VAL 279 HG23 0.01 -0.01 -0.02 -0.04 0.95 0.89 2b30A1 LEU 280 H 0.09 0.69 0.26 -0.55 8.37 8.86 2b30A1 LEU 280 HA 0.12 0.13 0.46 -0.75 4.35 4.30 2b30A1 LEU 280 HB2 0.02 -0.11 0.18 -0.04 1.64 1.70 2b30A1 LEU 280 HB3 -0.02 -0.10 0.10 -0.04 1.64 1.57 2b30A1 LEU 280 HG 0.19 0.08 -0.13 -0.04 1.64 1.74 2b30A1 LEU 280 HD13 0.04 -0.03 -0.14 -0.04 0.93 0.76 2b30A1 LEU 280 HD23 0.08 0.02 -0.08 -0.04 0.89 0.86 2b30A1 PRO 281 HA -0.05 0.16 0.58 -0.51 4.44 4.63 2b30A1 PRO 281 HB2 -0.11 0.00 0.09 -0.04 2.28 2.22 2b30A1 PRO 281 HB3 -0.03 0.06 0.12 -0.04 2.02 2.14 2b30A1 PRO 281 HG2 -0.48 0.00 -0.03 -0.04 2.03 1.49 2b30A1 PRO 281 HG3 0.00 0.04 0.07 -0.04 2.03 2.10 2b30A1 PRO 281 HD2 -0.05 0.04 0.19 -0.04 3.68 3.82 2b30A1 PRO 281 HD3 0.08 0.19 0.20 -0.04 3.65 4.08 2b30A1 VAL 282 H -0.19 0.09 -0.41 -0.55 8.24 7.17 2b30A1 VAL 282 HA -0.15 0.18 0.80 -0.75 4.13 4.21 2b30A1 VAL 282 HB -0.57 0.04 -0.21 -0.04 2.12 1.34 2b30A1 VAL 282 HG13 -0.32 -0.01 -0.21 -0.04 0.97 0.38 2b30A1 VAL 282 HG23 -0.17 0.02 -0.09 -0.04 0.95 0.67 2b30A1 SER 283 H -0.06 0.17 0.11 -0.55 8.46 8.13 2b30A1 SER 283 HA 0.00 0.05 0.82 -0.75 4.49 4.60 2b30A1 SER 283 HB2 0.13 -0.05 0.15 -0.04 3.95 4.14 2b30A1 SER 283 HB3 0.01 0.16 0.00 -0.04 3.93 4.06 2b30A1 HIS 284 H 0.29 0.20 0.17 -0.55 8.41 8.52 2b30A1 HIS 284 HA -0.06 -0.03 0.38 -0.75 4.63 4.17 2b30A1 HIS 284 HB2 -0.09 0.22 -0.23 -0.04 3.26 3.12 2b30A1 HIS 284 HB3 -0.07 0.18 0.05 -0.04 3.20 3.32 2b30A1 HIS 284 HD2 -0.09 0.01 -0.24 -0.04 6.97 6.60 2b30A1 HIS 284 HE1 -0.09 0.05 0.04 -0.04 7.75 7.70 2b30A1 ARG 285 H -0.28 0.07 -0.12 -0.55 8.46 7.57 2b30A1 ARG 285 HA -0.30 0.16 0.54 -0.75 4.34 4.00 2b30A1 ARG 285 HB2 -0.22 0.06 0.07 -0.04 1.90 1.76 2b30A1 ARG 285 HB3 -0.45 -0.01 0.06 -0.04 1.80 1.35 2b30A1 ARG 285 HG2 -0.10 -0.16 -0.01 -0.04 1.67 1.36 2b30A1 ARG 285 HG3 -0.10 0.09 -0.24 -0.04 1.67 1.37 2b30A1 ARG 285 HD2 -0.06 0.05 -0.03 -0.04 3.22 3.14 2b30A1 ARG 285 HD3 -0.11 0.02 -0.02 -0.04 3.22 3.06 2b30A1 GLU 286 H -0.07 -0.02 -0.34 -0.55 8.60 7.63 2b30A1 GLU 286 HA -0.07 0.16 0.61 -0.75 4.29 4.23 2b30A1 GLU 286 HB2 -0.07 -0.10 0.05 -0.04 2.09 1.93 2b30A1 GLU 286 HB3 -0.07 0.09 0.13 -0.04 1.99 2.10 2b30A1 GLU 286 HG2 -0.05 0.09 0.02 -0.04 2.34 2.36 2b30A1 GLU 286 HG3 -0.05 -0.12 0.00 -0.04 2.34 2.14 2b30A1 GLY 287 H -0.07 0.22 -0.70 -0.55 8.43 7.34 2b30A1 GLY 287 HA2 -0.04 0.03 0.26 -0.51 4.01 3.76 2b30A1 GLY 287 HA3 -0.02 0.09 0.35 -0.51 4.01 3.92 2b30A1 ALA 288 H -0.01 0.23 0.01 -0.55 8.40 8.08 2b30A1 ALA 288 HA 0.02 0.11 0.12 -0.75 4.34 3.83 2b30A1 ALA 288 HB3 0.00 0.02 -0.24 -0.04 1.41 1.15 2b30A1 VAL 289 H -0.01 0.15 -0.13 -0.55 8.24 7.71 2b30A1 VAL 289 HA -0.05 0.12 0.45 -0.75 4.13 3.89 2b30A1 VAL 289 HB -0.02 -0.06 0.04 -0.04 2.12 2.04 2b30A1 VAL 289 HG13 -0.05 0.03 -0.17 -0.04 0.97 0.74 2b30A1 VAL 289 HG23 -0.01 0.03 -0.13 -0.04 0.95 0.80 2b30A1 ALA 290 H -0.01 0.03 -0.23 -0.55 8.40 7.64 2b30A1 ALA 290 HA -0.04 0.07 0.36 -0.75 4.34 3.98 2b30A1 ALA 290 HB3 0.01 0.04 -0.16 -0.04 1.41 1.26 2b30A1 TYR 291 H 0.09 0.47 -0.26 -0.55 8.29 8.04 2b30A1 TYR 291 HA -0.08 0.03 0.33 -0.75 4.56 4.09 2b30A1 TYR 291 HB2 -0.06 0.06 0.01 -0.04 3.06 3.04 2b30A1 TYR 291 HB3 -0.08 0.03 0.07 -0.04 2.98 2.97 2b30A1 TYR 291 HD2 -0.08 0.03 -0.10 -0.04 7.15 6.96 2b30A1 TYR 291 HE2 -0.05 0.01 -0.03 -0.04 6.85 6.73 2b30A1 LEU 292 H -0.04 0.48 -0.19 -0.55 8.37 8.08 2b30A1 LEU 292 HA -0.40 0.03 0.42 -0.75 4.35 3.65 2b30A1 LEU 292 HB2 -0.16 -0.02 0.05 -0.04 1.64 1.47 2b30A1 LEU 292 HB3 -0.19 0.03 0.13 -0.04 1.64 1.57 2b30A1 LEU 292 HG -0.38 0.02 -0.25 -0.04 1.64 0.99 2b30A1 LEU 292 HD13 -0.91 -0.00 -0.08 -0.04 0.93 -0.10 2b30A1 LEU 292 HD23 -0.27 -0.01 -0.13 -0.04 0.89 0.44 2b30A1 LEU 293 H -0.27 0.68 -0.05 -0.55 8.37 8.19 2b30A1 LEU 293 HA -0.65 0.04 0.30 -0.75 4.35 3.29 2b30A1 LEU 293 HB2 -0.35 0.03 0.04 -0.04 1.64 1.32 2b30A1 LEU 293 HB3 -0.98 0.03 -0.03 -0.04 1.64 0.63 2b30A1 LEU 293 HG -0.19 0.10 -0.13 -0.04 1.64 1.38 2b30A1 LEU 293 HD13 -0.11 -0.03 -0.24 -0.04 0.93 0.51 2b30A1 LEU 293 HD23 -0.30 -0.03 -0.13 -0.04 0.89 0.40 2b30A1 LYS 294 H -0.30 0.51 -0.26 -0.55 8.42 7.82 2b30A1 LYS 294 HA -0.00 0.03 0.44 -0.75 4.32 4.03 2b30A1 LYS 294 HB2 -0.07 -0.04 0.02 -0.04 1.87 1.75 2b30A1 LYS 294 HB3 -0.03 -0.03 0.09 -0.04 1.79 1.78 2b30A1 LYS 294 HG2 -0.21 0.18 0.11 -0.04 1.46 1.50 2b30A1 LYS 294 HG3 -0.11 -0.04 -0.05 -0.04 1.46 1.22 2b30A1 LYS 294 HD2 -0.01 0.00 -0.07 -0.04 1.69 1.57 2b30A1 LYS 294 HD3 -0.03 -0.07 -0.10 -0.04 1.68 1.44 2b30A1 LYS 294 HE2 -0.02 0.01 -0.04 -0.04 2.99 2.90 2b30A1 LYS 294 HE3 0.02 -0.00 -0.03 -0.04 2.99 2.94 2b30A1 LYS 295 H -0.38 0.35 -0.25 -0.55 8.42 7.59 2b30A1 LYS 295 HA -0.19 0.03 0.42 -0.75 4.32 3.84 2b30A1 LYS 295 HB2 -0.38 0.11 0.07 -0.04 1.87 1.63 2b30A1 LYS 295 HB3 -0.23 -0.05 -0.02 -0.04 1.79 1.45 2b30A1 LYS 295 HG2 -0.35 -0.04 -0.03 -0.04 1.46 0.99 2b30A1 LYS 295 HG3 -0.74 0.18 0.06 -0.04 1.46 0.91 2b30A1 LYS 295 HD2 -0.29 -0.09 -0.04 -0.04 1.69 1.23 2b30A1 LYS 295 HD3 -0.18 -0.01 -0.01 -0.04 1.68 1.44 2b30A1 LYS 295 HE2 -0.49 0.01 -0.02 -0.04 2.99 2.45 2b30A1 LYS 295 HE3 -0.08 -0.07 0.00 -0.04 2.99 2.81 2b30A1 VAL 296 H -0.41 0.38 -0.22 -0.55 8.24 7.44 2b30A1 VAL 296 HA -0.20 0.08 0.57 -0.75 4.13 3.82 2b30A1 VAL 296 HB -0.61 0.06 0.10 -0.04 2.12 1.63 2b30A1 VAL 296 HG13 -0.29 -0.01 -0.13 -0.04 0.97 0.50 2b30A1 VAL 296 HG23 -0.32 0.03 -0.07 -0.04 0.95 0.55 2b30A1 PHE 297 H -0.41 0.57 -0.10 -0.55 8.34 7.84 2b30A1 PHE 297 HA -0.00 0.04 0.34 -0.75 4.62 4.24 2b30A1 PHE 297 HB2 -0.07 0.08 0.16 -0.04 3.15 3.28 2b30A1 PHE 297 HB3 -0.01 -0.05 -0.00 -0.04 3.06 2.95 2b30A1 PHE 297 HD2 -0.08 -0.03 -0.06 -0.04 7.28 7.07 2b30A1 PHE 297 HE2 -0.23 -0.05 -0.07 -0.04 7.38 6.99 2b30A1 PHE 297 HZ -0.12 0.09 -0.01 -0.04 7.32 7.25 2b30A1 ASP 298 H 0.02 0.37 -0.21 -0.55 8.40 8.04 2b30A1 ASP 298 HA 0.05 0.11 0.49 -0.75 4.63 4.52 2b30A1 ASP 298 HB2 0.00 -0.02 0.12 -0.04 2.71 2.77 2b30A1 ASP 298 HB3 0.02 -0.06 0.04 -0.04 2.70 2.66 2b30A1 LEU 299 H -0.01 0.28 -0.52 -0.55 8.37 7.58 2b30A1 LEU 299 HA -0.01 -0.01 0.68 -0.75 4.35 4.26 2b30A1 LEU 299 HB2 0.01 0.17 0.11 -0.04 1.64 1.89 2b30A1 LEU 299 HB3 -0.01 -0.05 0.05 -0.04 1.64 1.58 2b30A1 LEU 299 HG -0.07 0.14 0.16 -0.04 1.64 1.82 2b30A1 LEU 299 HD13 -0.11 0.03 0.13 -0.04 0.93 0.94 2b30A1 LEU 299 HD23 -0.04 -0.05 0.06 -0.04 0.89 0.81 2b30A1 LYS 300 H 0.07 0.37 -0.21 -0.55 8.42 8.10 2b30A1 LYS 300 HA 0.03 0.12 0.46 -0.75 4.32 4.17 2b30A1 LYS 300 HB2 0.09 0.01 0.03 -0.04 1.87 1.95 2b30A1 LYS 300 HB3 0.09 0.12 0.14 -0.04 1.79 2.10 2b30A1 LYS 300 HG2 0.01 -0.05 0.06 -0.04 1.46 1.44 2b30A1 LYS 300 HG3 0.01 -0.03 0.04 -0.04 1.46 1.44 2b30A1 LYS 300 HD2 -0.02 0.02 0.02 -0.04 1.69 1.67 2b30A1 LYS 300 HD3 0.01 0.03 0.05 -0.04 1.68 1.73 2b30A1 LYS 300 HE2 -0.03 -0.05 0.04 -0.04 2.99 2.91 2b30A1 LYS 300 HE3 -0.03 -0.05 0.02 -0.04 2.99 2.89