============================================================================= 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 -33.178 20.269 -51.488 -99.200 -91.000 PHE 23 1.000 -31.207 18.260 -56.020 -99.200 -91.000 TYR 46 0.840 -50.954 27.378 -46.890 -99.200 -91.000 PHE 63 1.000 -34.533 25.415 -52.197 -99.200 -91.000 PHE 73 1.000 -37.888 28.144 -46.877 -99.200 -91.000 TYR 74 0.840 -33.610 34.465 -48.315 -99.200 -91.000 TYR 80 0.840 -31.996 22.839 -42.469 -99.200 -91.000 TYR 87 0.840 -30.022 26.401 -38.038 -99.200 -91.000 TYR 92 0.840 -32.627 29.882 -29.749 -99.200 -91.000 TYR 104 0.840 -16.926 11.228 -33.931 -99.200 -91.000 TYR 110 0.840 -17.578 -1.338 -37.930 -99.200 -91.000 PHE 122 1.000 -14.959 11.910 -40.825 -99.200 -91.000 HIS 123 0.900 -22.540 16.321 -43.657 -99.200 -91.000 TYR 129 0.840 -15.074 19.922 -41.088 -99.200 -91.000 TYR 136 0.840 -16.563 7.829 -53.590 -99.200 -91.000 PHE 139 1.000 -21.180 11.227 -53.493 -99.200 -91.000 TYR 144 0.840 -26.213 13.688 -53.428 -99.200 -91.000 HIS 154 0.900 -6.615 9.041 -40.454 -99.200 -91.000 TYR 160 0.840 -12.041 18.724 -36.321 -99.200 -91.000 PHE 186 1.000 -20.583 1.516 -34.088 -99.200 -91.000 PHE 193 1.000 -32.897 7.347 -40.536 -99.200 -91.000 TYR 196 0.840 -33.106 6.269 -55.609 -99.200 -91.000 HIS 199 0.900 -23.866 6.724 -51.596 -99.200 -91.000 HIS 207 0.900 -31.571 13.125 -31.103 -99.200 -91.000 TYR 210 0.840 -42.864 12.270 -34.799 -99.200 -91.000 TYR 215 0.840 -36.363 20.002 -29.609 -99.200 -91.000 HIS 219 0.900 -39.694 28.410 -30.531 -99.200 -91.000 TYR 220 0.840 -42.234 29.089 -34.852 -99.200 -91.000 PHE 243 1.000 -46.463 15.226 -38.236 -99.200 -91.000 TYR 245 0.840 -55.000 16.329 -42.709 -99.200 -91.000 PHE 247 1.000 -51.070 14.076 -48.833 -99.200 -91.000 HIS 259 0.900 -44.404 2.478 -42.101 -99.200 -91.000 HIS 268 0.900 -38.173 12.579 -58.282 -99.200 -91.000 TYR 275 0.840 -51.392 16.370 -57.663 -99.200 -91.000 PHE 281 1.000 -50.395 26.897 -52.362 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b30C1 LYS 17 HA 0.06 0.01 0.20 -0.75 4.32 3.83 2b30C1 LYS 17 HB2 0.08 0.01 -0.06 -0.04 1.87 1.86 2b30C1 LYS 17 HB3 0.05 0.05 0.03 -0.04 1.79 1.89 2b30C1 LYS 17 HG2 0.03 0.01 0.03 -0.04 1.46 1.50 2b30C1 LYS 17 HG3 0.04 -0.04 0.04 -0.04 1.46 1.47 2b30C1 LYS 17 HD2 0.04 0.04 0.00 -0.04 1.69 1.73 2b30C1 LYS 17 HD3 0.02 -0.01 0.01 -0.04 1.68 1.67 2b30C1 LYS 17 HE2 0.03 -0.05 0.02 -0.04 2.99 2.94 2b30C1 LYS 17 HE3 0.06 -0.04 -0.01 -0.04 2.99 2.96 2b30C1 VAL 18 H 0.11 0.18 0.08 -0.55 8.24 8.06 2b30C1 VAL 18 HA 0.27 0.12 0.50 -0.75 4.13 4.27 2b30C1 VAL 18 HB 0.11 -0.03 0.10 -0.04 2.12 2.26 2b30C1 VAL 18 HG13 -0.14 0.02 -0.21 -0.04 0.97 0.61 2b30C1 VAL 18 HG23 0.25 0.01 -0.05 -0.04 0.95 1.11 2b30C1 GLU 19 H 0.05 0.13 -0.04 -0.55 8.60 8.19 2b30C1 GLU 19 HA 0.01 0.12 0.29 -0.75 4.29 3.95 2b30C1 GLU 19 HB2 0.02 -0.04 0.10 -0.04 2.09 2.13 2b30C1 GLU 19 HB3 0.02 0.05 -0.08 -0.04 1.99 1.94 2b30C1 GLU 19 HG2 -0.00 0.05 -0.00 -0.04 2.34 2.34 2b30C1 GLU 19 HG3 -0.03 0.05 0.02 -0.04 2.34 2.34 2b30C1 GLU 20 H 0.06 0.08 -0.46 -0.55 8.60 7.74 2b30C1 GLU 20 HA 0.05 0.04 0.39 -0.75 4.29 4.03 2b30C1 GLU 20 HB2 0.06 0.09 0.07 -0.04 2.09 2.26 2b30C1 GLU 20 HB3 0.05 0.01 0.00 -0.04 1.99 2.01 2b30C1 GLU 20 HG2 0.04 0.04 -0.10 -0.04 2.34 2.28 2b30C1 GLU 20 HG3 0.04 -0.11 -0.11 -0.04 2.34 2.11 2b30C1 ALA 21 H 0.12 0.43 -0.13 -0.55 8.40 8.27 2b30C1 ALA 21 HA 0.10 0.03 0.38 -0.75 4.34 4.09 2b30C1 ALA 21 HB3 0.14 0.00 0.08 -0.04 1.41 1.59 2b30C1 LEU 22 H 0.16 0.29 -0.57 -0.55 8.37 7.70 2b30C1 LEU 22 HA 0.17 0.06 0.55 -0.75 4.35 4.38 2b30C1 LEU 22 HB2 0.11 0.12 -0.05 -0.04 1.64 1.77 2b30C1 LEU 22 HB3 0.01 0.02 -0.07 -0.04 1.64 1.56 2b30C1 LEU 22 HG -0.11 -0.01 -0.01 -0.04 1.64 1.48 2b30C1 LEU 22 HD13 0.06 -0.02 -0.09 -0.04 0.93 0.84 2b30C1 LEU 22 HD23 -0.18 -0.01 -0.28 -0.04 0.89 0.38 2b30C1 LYS 23 H 0.10 0.34 -0.22 -0.55 8.42 8.08 2b30C1 LYS 23 HA 0.03 -0.08 0.36 -0.75 4.32 3.87 2b30C1 LYS 23 HB2 0.07 0.09 0.16 -0.04 1.87 2.15 2b30C1 LYS 23 HB3 0.04 -0.10 0.06 -0.04 1.79 1.76 2b30C1 LYS 23 HG2 0.03 -0.07 0.03 -0.04 1.46 1.41 2b30C1 LYS 23 HG3 0.05 0.36 0.16 -0.04 1.46 1.99 2b30C1 LYS 23 HD2 0.04 -0.01 0.02 -0.04 1.69 1.70 2b30C1 LYS 23 HD3 0.03 -0.04 -0.00 -0.04 1.68 1.63 2b30C1 LYS 23 HE2 0.02 -0.00 -0.11 -0.04 2.99 2.85 2b30C1 LYS 23 HE3 0.03 -0.10 -0.26 -0.04 2.99 2.63 2b30C1 GLY 24 H 0.02 0.10 0.21 -0.55 8.43 8.21 2b30C1 GLY 24 HA2 0.03 -0.03 0.32 -0.51 4.01 3.82 2b30C1 GLY 24 HA3 0.06 0.02 0.38 -0.51 4.01 3.96 2b30C1 ALA 25 H -0.07 0.23 -0.02 -0.55 8.40 7.99 2b30C1 ALA 25 HA -0.10 0.10 0.74 -0.75 4.34 4.32 2b30C1 ALA 25 HB3 -0.77 0.01 0.02 -0.04 1.41 0.63 2b30C1 ASP 26 H 0.00 0.27 0.11 -0.55 8.40 8.23 2b30C1 ASP 26 HA 0.00 0.16 0.80 -0.75 4.63 4.84 2b30C1 ASP 26 HB2 0.02 0.01 -0.01 -0.04 2.71 2.69 2b30C1 ASP 26 HB3 0.04 -0.02 0.17 -0.04 2.70 2.85 2b30C1 ILE 27 H 0.02 0.24 -0.11 -0.55 8.25 7.85 2b30C1 ILE 27 HA 0.05 0.06 0.35 -0.75 4.18 3.88 2b30C1 ILE 27 HB 0.04 0.04 0.02 -0.04 1.89 1.95 2b30C1 ILE 27 HG12 -0.03 -0.01 -0.45 -0.04 1.49 0.96 2b30C1 ILE 27 HG13 -0.19 -0.04 -0.29 -0.04 1.21 0.64 2b30C1 ILE 27 HG23 0.03 -0.02 -0.30 -0.04 0.93 0.61 2b30C1 ILE 27 HD13 -0.18 0.01 -0.09 -0.04 0.88 0.58 2b30C1 LYS 28 H 0.08 0.61 0.43 -0.55 8.42 8.98 2b30C1 LYS 28 HA 0.10 0.20 0.94 -0.75 4.32 4.81 2b30C1 LYS 28 HB2 0.05 0.00 0.15 -0.04 1.87 2.03 2b30C1 LYS 28 HB3 0.03 -0.04 0.08 -0.04 1.79 1.82 2b30C1 LYS 28 HG2 -0.03 0.02 0.04 -0.04 1.46 1.45 2b30C1 LYS 28 HG3 0.00 0.06 -0.29 -0.04 1.46 1.19 2b30C1 LYS 28 HD2 0.03 -0.01 0.01 -0.04 1.69 1.68 2b30C1 LYS 28 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 2b30C1 LYS 28 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.91 2b30C1 LYS 28 HE3 -0.01 0.03 -0.09 -0.04 2.99 2.87 2b30C1 LEU 29 H 0.06 0.41 0.32 -0.55 8.37 8.61 2b30C1 LEU 29 HA 0.03 0.26 0.97 -0.75 4.35 4.87 2b30C1 LEU 29 HB2 0.03 -0.00 -0.08 -0.04 1.64 1.55 2b30C1 LEU 29 HB3 -0.01 -0.07 0.07 -0.04 1.64 1.59 2b30C1 LEU 29 HG -0.01 0.02 -0.11 -0.04 1.64 1.50 2b30C1 LEU 29 HD13 0.02 -0.03 -0.19 -0.04 0.93 0.69 2b30C1 LEU 29 HD23 -0.01 0.02 -0.32 -0.04 0.89 0.54 2b30C1 LEU 30 H -0.00 0.79 0.24 -0.55 8.37 8.86 2b30C1 LEU 30 HA -0.06 0.14 0.90 -0.75 4.35 4.56 2b30C1 LEU 30 HB2 -0.08 -0.02 0.16 -0.04 1.64 1.66 2b30C1 LEU 30 HB3 -0.11 -0.06 -0.05 -0.04 1.64 1.37 2b30C1 LEU 30 HG -0.07 0.06 -0.17 -0.04 1.64 1.42 2b30C1 LEU 30 HD13 -0.26 0.00 -0.11 -0.04 0.93 0.52 2b30C1 LEU 30 HD23 -0.26 0.00 -0.13 -0.04 0.89 0.46 2b30C1 LEU 31 H -0.06 0.86 0.32 -0.55 8.37 8.95 2b30C1 LEU 31 HA -0.01 0.27 0.93 -0.75 4.35 4.79 2b30C1 LEU 31 HB2 -0.09 0.04 0.25 -0.04 1.64 1.80 2b30C1 LEU 31 HB3 -0.03 -0.15 -0.04 -0.04 1.64 1.39 2b30C1 LEU 31 HG -0.11 0.12 -0.24 -0.04 1.64 1.38 2b30C1 LEU 31 HD13 -0.18 -0.02 -0.14 -0.04 0.93 0.55 2b30C1 LEU 31 HD23 -0.01 0.01 -0.23 -0.04 0.89 0.62 2b30C1 ILE 32 H 0.03 0.64 0.31 -0.55 8.25 8.67 2b30C1 ILE 32 HA 0.03 0.18 0.90 -0.75 4.18 4.54 2b30C1 ILE 32 HB 0.09 -0.06 0.05 -0.04 1.89 1.93 2b30C1 ILE 32 HG12 -0.03 0.04 -0.38 -0.04 1.49 1.07 2b30C1 ILE 32 HG13 -0.02 0.09 -0.36 -0.04 1.21 0.88 2b30C1 ILE 32 HG23 0.04 0.05 -0.09 -0.04 0.93 0.89 2b30C1 ILE 32 HD13 -0.05 -0.00 -0.15 -0.04 0.88 0.64 2b30C1 ASP 33 H 0.05 0.61 0.36 -0.55 8.40 8.87 2b30C1 ASP 33 HA 0.07 0.30 0.72 -0.75 4.63 4.97 2b30C1 ASP 33 HB2 0.03 0.04 0.30 -0.04 2.71 3.03 2b30C1 ASP 33 HB3 0.04 0.02 0.15 -0.04 2.70 2.87 2b30C1 PHE 34 H 0.18 0.04 0.14 -0.55 8.34 8.15 2b30C1 PHE 34 HA 0.04 0.24 0.78 -0.75 4.62 4.92 2b30C1 PHE 34 HB2 0.00 0.06 0.01 -0.04 3.15 3.18 2b30C1 PHE 34 HB3 -0.05 -0.20 0.18 -0.04 3.06 2.95 2b30C1 PHE 34 HD2 -0.13 -0.01 -0.09 -0.04 7.28 7.00 2b30C1 PHE 34 HE2 -0.87 0.10 -0.11 -0.04 7.38 6.46 2b30C1 PHE 34 HZ -0.49 0.11 -0.15 -0.04 7.32 6.75 2b30C1 ASP 35 H 0.18 0.03 0.15 -0.55 8.40 8.20 2b30C1 ASP 35 HA 0.12 0.19 0.39 -0.75 4.63 4.58 2b30C1 ASP 35 HB2 0.06 -0.11 0.13 -0.04 2.71 2.75 2b30C1 ASP 35 HB3 0.13 0.10 0.02 -0.04 2.70 2.90 2b30C1 GLY 36 H 0.13 0.58 0.27 -0.55 8.43 8.85 2b30C1 GLY 36 HA2 -0.14 0.06 0.34 -0.51 4.01 3.77 2b30C1 GLY 36 HA3 -0.10 0.01 0.47 -0.51 4.01 3.89 2b30C1 THR 37 H 0.03 0.25 -0.31 -0.55 8.28 7.71 2b30C1 THR 37 HA 0.04 0.07 0.78 -0.75 4.39 4.53 2b30C1 THR 37 HB 0.03 0.05 -0.36 -0.04 4.32 4.00 2b30C1 THR 37 HG23 0.03 0.03 -0.23 -0.04 1.22 1.01 2b30C1 LEU 38 H -0.04 0.42 0.18 -0.55 8.37 8.38 2b30C1 LEU 38 HA -0.03 0.07 0.84 -0.75 4.35 4.47 2b30C1 LEU 38 HB2 0.04 0.14 0.08 -0.04 1.64 1.86 2b30C1 LEU 38 HB3 -0.18 -0.07 0.17 -0.04 1.64 1.51 2b30C1 LEU 38 HG 0.00 -0.03 -0.08 -0.04 1.64 1.50 2b30C1 LEU 38 HD13 0.08 -0.00 -0.02 -0.04 0.93 0.94 2b30C1 LEU 38 HD23 0.40 0.01 -0.10 -0.04 0.89 1.15 2b30C1 PHE 39 H -0.20 0.58 0.20 -0.55 8.34 8.37 2b30C1 PHE 39 HA -0.36 0.29 0.51 -0.75 4.62 4.31 2b30C1 PHE 39 HB2 -1.64 0.05 -0.21 -0.04 3.15 1.31 2b30C1 PHE 39 HB3 -0.63 -0.18 -0.27 -0.04 3.06 1.94 2b30C1 PHE 39 HD2 -0.17 -0.04 -0.37 -0.04 7.28 6.66 2b30C1 PHE 39 HE2 0.01 0.08 -0.19 -0.04 7.38 7.24 2b30C1 PHE 39 HZ 0.00 0.07 -0.43 -0.04 7.32 6.92 2b30C1 VAL 40 H -0.83 0.76 0.14 -0.55 8.24 7.76 2b30C1 VAL 40 HA -0.14 0.04 0.71 -0.75 4.13 3.99 2b30C1 VAL 40 HB -0.41 -0.04 0.13 -0.04 2.12 1.75 2b30C1 VAL 40 HG13 -0.36 -0.02 -0.09 -0.04 0.97 0.45 2b30C1 VAL 40 HG23 -0.44 0.04 -0.16 -0.04 0.95 0.35 2b30C1 ASP 41 H -0.77 0.18 0.23 -0.55 8.40 7.48 2b30C1 ASP 41 HA 0.08 0.17 0.43 -0.75 4.63 4.56 2b30C1 ASP 41 HB2 -0.07 -0.05 0.23 -0.04 2.71 2.79 2b30C1 ASP 41 HB3 -0.07 0.22 0.04 -0.04 2.70 2.84 2b30C1 LYS 42 H -0.03 0.19 0.18 -0.55 8.42 8.21 2b30C1 LYS 42 HA 0.10 0.13 0.35 -0.75 4.32 4.14 2b30C1 LYS 42 HB2 -0.02 0.15 0.13 -0.04 1.87 2.09 2b30C1 LYS 42 HB3 -0.06 0.08 0.24 -0.04 1.79 2.02 2b30C1 LYS 42 HG2 -0.05 -0.21 0.12 -0.04 1.46 1.28 2b30C1 LYS 42 HG3 -0.03 0.03 -0.08 -0.04 1.46 1.34 2b30C1 LYS 42 HD2 -0.04 0.08 0.03 -0.04 1.69 1.72 2b30C1 LYS 42 HD3 -0.07 -0.02 0.07 -0.04 1.68 1.61 2b30C1 LYS 42 HE2 -0.02 0.01 0.00 -0.04 2.99 2.94 2b30C1 LYS 42 HE3 -0.02 -0.01 0.00 -0.04 2.99 2.92 2b30C1 ASP 43 H -0.09 -0.10 -0.28 -0.55 8.40 7.37 2b30C1 ASP 43 HA -0.05 0.20 0.34 -0.75 4.63 4.38 2b30C1 ASP 43 HB2 -0.08 -0.11 0.07 -0.04 2.71 2.55 2b30C1 ASP 43 HB3 -0.05 0.07 -0.02 -0.04 2.70 2.66 2b30C1 ILE 44 H -0.18 -0.09 -0.01 -0.55 8.25 7.42 2b30C1 ILE 44 HA -0.13 0.16 0.49 -0.75 4.18 3.94 2b30C1 ILE 44 HB -0.25 -0.15 0.09 -0.04 1.89 1.55 2b30C1 ILE 44 HG12 -0.12 0.06 0.01 -0.04 1.49 1.40 2b30C1 ILE 44 HG13 -0.11 -0.05 -0.05 -0.04 1.21 0.96 2b30C1 ILE 44 HG23 -0.22 0.05 -0.17 -0.04 0.93 0.54 2b30C1 ILE 44 HD13 -0.13 0.00 0.00 -0.04 0.88 0.71 2b30C1 LYS 45 H -0.47 0.11 -0.10 -0.55 8.42 7.41 2b30C1 LYS 45 HA -1.38 0.03 0.30 -0.75 4.32 2.51 2b30C1 LYS 45 HB2 -0.09 0.23 0.08 -0.04 1.87 2.05 2b30C1 LYS 45 HB3 0.03 0.02 0.19 -0.04 1.79 1.99 2b30C1 LYS 45 HG2 0.08 -0.01 -0.06 -0.04 1.46 1.42 2b30C1 LYS 45 HG3 -0.07 0.03 -0.50 -0.04 1.46 0.88 2b30C1 LYS 45 HD2 0.05 -0.03 -0.02 -0.04 1.69 1.64 2b30C1 LYS 45 HD3 0.14 0.16 0.05 -0.04 1.68 1.99 2b30C1 LYS 45 HE2 0.08 -0.02 0.05 -0.04 2.99 3.07 2b30C1 LYS 45 HE3 0.02 0.05 0.04 -0.04 2.99 3.06 2b30C1 VAL 46 H -0.08 0.27 0.17 -0.55 8.24 8.06 2b30C1 VAL 46 HA -0.20 0.27 0.95 -0.75 4.13 4.40 2b30C1 VAL 46 HB 0.11 0.03 0.13 -0.04 2.12 2.36 2b30C1 VAL 46 HG13 0.12 0.07 -0.08 -0.04 0.97 1.03 2b30C1 VAL 46 HG23 -0.19 -0.02 -0.17 -0.04 0.95 0.53 2b30C1 PRO 47 HA -0.07 0.13 0.54 -0.51 4.44 4.52 2b30C1 PRO 47 HB2 -0.06 -0.21 0.11 -0.04 2.28 2.08 2b30C1 PRO 47 HB3 -0.08 0.07 0.12 -0.04 2.02 2.10 2b30C1 PRO 47 HG2 -0.13 0.03 0.13 -0.04 2.03 2.01 2b30C1 PRO 47 HG3 -0.17 0.06 0.07 -0.04 2.03 1.94 2b30C1 PRO 47 HD2 -0.12 0.19 0.30 -0.04 3.68 4.00 2b30C1 PRO 47 HD3 -0.23 0.24 0.23 -0.04 3.65 3.85 2b30C1 SER 48 H -0.02 0.20 0.22 -0.55 8.46 8.31 2b30C1 SER 48 HA 0.02 0.13 0.35 -0.75 4.49 4.24 2b30C1 SER 48 HB2 0.01 0.04 0.11 -0.04 3.95 4.06 2b30C1 SER 48 HB3 0.00 0.10 0.16 -0.04 3.93 4.15 2b30C1 GLU 49 H -0.01 0.07 -0.30 -0.55 8.60 7.81 2b30C1 GLU 49 HA 0.01 0.15 0.53 -0.75 4.29 4.22 2b30C1 GLU 49 HB2 -0.01 -0.06 -0.01 -0.04 2.09 1.97 2b30C1 GLU 49 HB3 0.00 0.08 0.03 -0.04 1.99 2.06 2b30C1 GLU 49 HG2 -0.01 0.10 -0.01 -0.04 2.34 2.38 2b30C1 GLU 49 HG3 -0.01 -0.00 -0.00 -0.04 2.34 2.28 2b30C1 ASN 50 H -0.00 0.22 -0.13 -0.55 8.53 8.08 2b30C1 ASN 50 HA 0.00 -0.01 0.46 -0.75 4.76 4.45 2b30C1 ASN 50 HB2 0.03 0.29 0.10 -0.04 2.88 3.25 2b30C1 ASN 50 HB3 0.04 0.01 0.02 -0.04 2.79 2.81 2b30C1 ASN 50 HD21 -0.04 -0.02 0.17 -0.04 7.03 7.10 2b30C1 ASN 50 HD22 -0.04 0.27 0.20 -0.04 7.74 8.14 2b30C1 ILE 51 H 0.04 0.25 -0.32 -0.55 8.25 7.67 2b30C1 ILE 51 HA 0.05 0.05 0.45 -0.75 4.18 3.98 2b30C1 ILE 51 HB 0.04 0.07 0.13 -0.04 1.89 2.09 2b30C1 ILE 51 HG12 0.13 0.03 0.01 -0.04 1.49 1.62 2b30C1 ILE 51 HG13 0.17 -0.09 -0.09 -0.04 1.21 1.16 2b30C1 ILE 51 HG23 0.01 0.02 -0.09 -0.04 0.93 0.83 2b30C1 ILE 51 HD13 0.11 0.00 -0.12 -0.04 0.88 0.84 2b30C1 ASP 52 H 0.02 0.39 -0.14 -0.55 8.40 8.12 2b30C1 ASP 52 HA 0.01 0.11 0.51 -0.75 4.63 4.50 2b30C1 ASP 52 HB2 0.02 0.07 0.13 -0.04 2.71 2.90 2b30C1 ASP 52 HB3 0.02 -0.00 0.03 -0.04 2.70 2.70 2b30C1 ALA 53 H 0.03 0.41 -0.22 -0.55 8.40 8.07 2b30C1 ALA 53 HA 0.18 0.05 0.33 -0.75 4.34 4.14 2b30C1 ALA 53 HB3 -0.01 0.02 0.07 -0.04 1.41 1.44 2b30C1 ILE 54 H 0.01 0.52 -0.19 -0.55 8.25 8.05 2b30C1 ILE 54 HA -0.02 0.03 0.44 -0.75 4.18 3.88 2b30C1 ILE 54 HB -0.06 0.07 0.09 -0.04 1.89 1.95 2b30C1 ILE 54 HG12 -0.09 -0.03 -0.07 -0.04 1.49 1.26 2b30C1 ILE 54 HG13 -0.02 -0.01 -0.03 -0.04 1.21 1.11 2b30C1 ILE 54 HG23 -0.28 0.01 -0.18 -0.04 0.93 0.44 2b30C1 ILE 54 HD13 0.08 -0.03 -0.12 -0.04 0.88 0.77 2b30C1 LYS 55 H -0.02 0.49 -0.08 -0.55 8.42 8.26 2b30C1 LYS 55 HA -0.03 0.20 0.55 -0.75 4.32 4.28 2b30C1 LYS 55 HB2 -0.02 0.02 0.15 -0.04 1.87 1.97 2b30C1 LYS 55 HB3 -0.01 -0.02 0.28 -0.04 1.79 2.00 2b30C1 LYS 55 HG2 -0.02 -0.05 -0.24 -0.04 1.46 1.11 2b30C1 LYS 55 HG3 -0.02 0.20 0.12 -0.04 1.46 1.72 2b30C1 LYS 55 HD2 -0.01 -0.00 -0.00 -0.04 1.69 1.64 2b30C1 LYS 55 HD3 -0.01 -0.09 0.04 -0.04 1.68 1.58 2b30C1 LYS 55 HE2 -0.01 -0.09 -0.00 -0.04 2.99 2.84 2b30C1 LYS 55 HE3 -0.02 -0.02 -0.04 -0.04 2.99 2.87 2b30C1 GLU 56 H 0.01 0.72 -0.20 -0.55 8.60 8.59 2b30C1 GLU 56 HA -0.09 0.01 0.45 -0.75 4.29 3.91 2b30C1 GLU 56 HB2 -0.04 -0.01 0.07 -0.04 2.09 2.08 2b30C1 GLU 56 HB3 0.03 0.09 0.10 -0.04 1.99 2.16 2b30C1 GLU 56 HG2 -0.67 0.01 -0.19 -0.04 2.34 1.45 2b30C1 GLU 56 HG3 -0.22 -0.03 0.01 -0.04 2.34 2.06 2b30C1 ALA 57 H 0.12 0.45 -0.15 -0.55 8.40 8.28 2b30C1 ALA 57 HA 0.17 -0.01 0.38 -0.75 4.34 4.12 2b30C1 ALA 57 HB3 0.17 0.00 0.08 -0.04 1.41 1.62 2b30C1 ILE 58 H -0.00 0.67 -0.10 -0.55 8.25 8.28 2b30C1 ILE 58 HA 0.03 0.19 0.46 -0.75 4.18 4.10 2b30C1 ILE 58 HB -0.02 0.17 0.17 -0.04 1.89 2.17 2b30C1 ILE 58 HG12 -0.06 -0.03 0.05 -0.04 1.49 1.42 2b30C1 ILE 58 HG13 -0.12 0.01 0.03 -0.04 1.21 1.09 2b30C1 ILE 58 HG23 0.04 0.01 -0.03 -0.04 0.93 0.91 2b30C1 ILE 58 HD13 -0.12 0.01 -0.10 -0.04 0.88 0.63 2b30C1 GLU 59 H -0.03 0.47 -0.11 -0.55 8.60 8.39 2b30C1 GLU 59 HA -0.02 0.01 0.54 -0.75 4.29 4.05 2b30C1 GLU 59 HB2 -0.07 0.09 0.22 -0.04 2.09 2.29 2b30C1 GLU 59 HB3 -0.06 -0.09 0.01 -0.04 1.99 1.81 2b30C1 GLU 59 HG2 -0.02 -0.08 0.07 -0.04 2.34 2.26 2b30C1 GLU 59 HG3 -0.02 0.17 0.11 -0.04 2.34 2.56 2b30C1 LYS 60 H -0.06 0.53 -0.21 -0.55 8.42 8.12 2b30C1 LYS 60 HA -0.11 0.02 0.52 -0.75 4.32 4.00 2b30C1 LYS 60 HB2 -0.24 0.12 0.11 -0.04 1.87 1.82 2b30C1 LYS 60 HB3 0.03 -0.01 0.06 -0.04 1.79 1.83 2b30C1 LYS 60 HG2 -0.11 -0.01 0.10 -0.04 1.46 1.39 2b30C1 LYS 60 HG3 -0.13 -0.03 0.10 -0.04 1.46 1.36 2b30C1 LYS 60 HD2 -0.49 -0.02 -0.01 -0.04 1.69 1.13 2b30C1 LYS 60 HD3 -0.11 -0.01 0.03 -0.04 1.68 1.55 2b30C1 LYS 60 HE2 -0.19 -0.02 -0.01 -0.04 2.99 2.74 2b30C1 LYS 60 HE3 -0.41 0.06 -0.03 -0.04 2.99 2.56 2b30C1 GLY 61 H -0.03 0.33 -0.41 -0.55 8.43 7.78 2b30C1 GLY 61 HA2 -0.06 0.02 0.23 -0.51 4.01 3.70 2b30C1 GLY 61 HA3 -0.15 0.06 0.58 -0.51 4.01 3.99 2b30C1 TYR 62 H 0.09 0.34 0.00 -0.55 8.29 8.18 2b30C1 TYR 62 HA -0.01 0.12 0.60 -0.75 4.56 4.52 2b30C1 TYR 62 HB2 0.03 -0.06 -0.09 -0.04 3.06 2.89 2b30C1 TYR 62 HB3 0.00 -0.02 -0.14 -0.04 2.98 2.78 2b30C1 TYR 62 HD2 0.04 0.03 -0.08 -0.04 7.15 7.10 2b30C1 TYR 62 HE2 0.05 0.05 -0.02 -0.04 6.85 6.89 2b30C1 MET 63 H 0.06 0.53 0.36 -0.55 8.47 8.88 2b30C1 MET 63 HA 0.00 0.10 0.75 -0.75 4.52 4.61 2b30C1 MET 63 HB2 -0.06 0.06 0.18 -0.04 2.15 2.29 2b30C1 MET 63 HB3 -0.02 -0.03 0.22 -0.04 2.03 2.15 2b30C1 MET 63 HG2 -0.04 -0.05 -0.20 -0.04 2.63 2.29 2b30C1 MET 63 HG3 -0.06 0.03 0.11 -0.04 2.56 2.60 2b30C1 MET 63 HE3 -0.53 0.01 0.04 -0.04 2.10 1.57 2b30C1 VAL 64 H -0.01 0.24 0.18 -0.55 8.24 8.10 2b30C1 VAL 64 HA -0.08 0.23 1.03 -0.75 4.13 4.55 2b30C1 VAL 64 HB -0.60 0.00 0.05 -0.04 2.12 1.53 2b30C1 VAL 64 HG13 -0.39 -0.03 -0.19 -0.04 0.97 0.31 2b30C1 VAL 64 HG23 -0.15 0.05 -0.24 -0.04 0.95 0.58 2b30C1 SER 65 H -0.01 0.69 0.27 -0.55 8.46 8.86 2b30C1 SER 65 HA 0.25 0.35 0.75 -0.75 4.49 5.08 2b30C1 SER 65 HB2 0.08 0.06 -0.32 -0.04 3.95 3.73 2b30C1 SER 65 HB3 0.03 -0.00 -0.13 -0.04 3.93 3.79 2b30C1 ILE 66 H 0.20 0.24 0.15 -0.55 8.25 8.29 2b30C1 ILE 66 HA 0.11 0.35 0.88 -0.75 4.18 4.76 2b30C1 ILE 66 HB 0.20 -0.03 0.10 -0.04 1.89 2.12 2b30C1 ILE 66 HG12 0.32 0.13 -0.06 -0.04 1.49 1.83 2b30C1 ILE 66 HG13 0.36 -0.01 -0.19 -0.04 1.21 1.33 2b30C1 ILE 66 HG23 0.12 -0.00 -0.18 -0.04 0.93 0.83 2b30C1 ILE 66 HD13 0.68 -0.02 -0.10 -0.04 0.88 1.40 2b30C1 CYS 67 H 0.03 0.46 -0.01 -0.55 8.50 8.44 2b30C1 CYS 67 HA -0.11 0.29 0.93 -0.75 4.58 4.93 2b30C1 CYS 67 HB2 0.01 -0.03 -0.05 -0.04 2.97 2.86 2b30C1 CYS 67 HB3 0.00 -0.08 -0.06 -0.04 2.97 2.79 2b30C1 THR 68 H -0.08 0.61 0.22 -0.55 8.28 8.48 2b30C1 THR 68 HA -0.00 0.08 0.96 -0.75 4.39 4.67 2b30C1 THR 68 HB 0.04 0.09 -0.34 -0.04 4.32 4.07 2b30C1 THR 68 HG23 0.03 0.12 -0.16 -0.04 1.22 1.17 2b30C1 GLY 69 H -0.03 0.15 0.18 -0.55 8.43 8.19 2b30C1 GLY 69 HA2 -0.03 -0.04 0.67 -0.51 4.01 4.09 2b30C1 GLY 69 HA3 -0.05 0.07 0.32 -0.51 4.01 3.83 2b30C1 ARG 70 H -0.04 -0.03 -0.19 -0.55 8.46 7.64 2b30C1 ARG 70 HA -0.15 0.15 0.52 -0.75 4.34 4.11 2b30C1 ARG 70 HB2 -0.10 0.02 -0.09 -0.04 1.90 1.69 2b30C1 ARG 70 HB3 -0.14 0.08 0.03 -0.04 1.80 1.73 2b30C1 ARG 70 HG2 -0.16 0.02 -0.06 -0.04 1.67 1.42 2b30C1 ARG 70 HG3 -0.10 -0.16 -0.00 -0.04 1.67 1.36 2b30C1 ARG 70 HD2 -0.40 0.03 -0.15 -0.04 3.22 2.66 2b30C1 ARG 70 HD3 -0.21 0.05 -0.18 -0.04 3.22 2.85 2b30C1 SER 71 H -0.09 0.11 0.10 -0.55 8.46 8.03 2b30C1 SER 71 HA -0.08 0.19 0.68 -0.75 4.49 4.52 2b30C1 SER 71 HB2 -0.09 0.02 0.10 -0.04 3.95 3.95 2b30C1 SER 71 HB3 -0.01 0.17 0.04 -0.04 3.93 4.08 2b30C1 LYS 72 H -0.49 0.23 0.08 -0.55 8.42 7.68 2b30C1 LYS 72 HA -0.77 0.13 0.36 -0.75 4.32 3.28 2b30C1 LYS 72 HB2 -1.17 0.08 0.05 -0.04 1.87 0.79 2b30C1 LYS 72 HB3 -0.39 -0.05 0.09 -0.04 1.79 1.41 2b30C1 LYS 72 HG2 -0.25 -0.02 -0.26 -0.04 1.46 0.88 2b30C1 LYS 72 HG3 -0.24 -0.02 -0.04 -0.04 1.46 1.11 2b30C1 LYS 72 HD2 -0.19 0.20 -0.08 -0.04 1.69 1.57 2b30C1 LYS 72 HD3 -0.19 0.06 -0.04 -0.04 1.68 1.46 2b30C1 LYS 72 HE2 -0.76 0.06 -0.06 -0.04 2.99 2.19 2b30C1 LYS 72 HE3 -0.56 -0.12 -0.04 -0.04 2.99 2.23 2b30C1 VAL 73 H -0.18 0.13 -0.04 -0.55 8.24 7.61 2b30C1 VAL 73 HA -0.09 0.13 0.40 -0.75 4.13 3.82 2b30C1 VAL 73 HB -0.06 0.04 0.04 -0.04 2.12 2.10 2b30C1 VAL 73 HG13 -0.09 0.02 0.06 -0.04 0.97 0.91 2b30C1 VAL 73 HG23 -0.07 0.02 0.00 -0.04 0.95 0.86 2b30C1 GLY 74 H -0.11 0.01 -0.37 -0.55 8.43 7.42 2b30C1 GLY 74 HA2 -0.06 0.05 0.38 -0.51 4.01 3.87 2b30C1 GLY 74 HA3 -0.10 -0.05 0.21 -0.51 4.01 3.56 2b30C1 ILE 75 H -0.18 0.38 -0.39 -0.55 8.25 7.51 2b30C1 ILE 75 HA -0.56 0.05 0.50 -0.75 4.18 3.42 2b30C1 ILE 75 HB -0.14 0.12 0.09 -0.04 1.89 1.92 2b30C1 ILE 75 HG12 -1.65 0.02 -0.05 -0.04 1.49 -0.24 2b30C1 ILE 75 HG13 -1.06 -0.08 -0.09 -0.04 1.21 -0.06 2b30C1 ILE 75 HG23 0.10 0.02 -0.21 -0.04 0.93 0.80 2b30C1 ILE 75 HD13 -0.12 -0.02 -0.16 -0.04 0.88 0.54 2b30C1 LEU 76 H -0.05 0.43 -0.03 -0.55 8.37 8.17 2b30C1 LEU 76 HA 0.20 0.08 0.44 -0.75 4.35 4.32 2b30C1 LEU 76 HB2 -0.01 0.01 0.11 -0.04 1.64 1.70 2b30C1 LEU 76 HB3 0.05 -0.01 -0.02 -0.04 1.64 1.62 2b30C1 LEU 76 HG -0.05 0.21 -0.08 -0.04 1.64 1.68 2b30C1 LEU 76 HD13 -0.06 -0.01 -0.11 -0.04 0.93 0.71 2b30C1 LEU 76 HD23 -0.00 0.03 -0.23 -0.04 0.89 0.64 2b30C1 SER 77 H -0.01 0.63 -0.13 -0.55 8.46 8.40 2b30C1 SER 77 HA 0.05 -0.04 0.43 -0.75 4.49 4.17 2b30C1 SER 77 HB2 -0.01 0.05 0.14 -0.04 3.95 4.09 2b30C1 SER 77 HB3 0.02 0.16 0.03 -0.04 3.93 4.10 2b30C1 ALA 78 H -0.02 0.14 -0.40 -0.55 8.40 7.57 2b30C1 ALA 78 HA 0.13 0.20 0.47 -0.75 4.34 4.39 2b30C1 ALA 78 HB3 0.05 -0.01 0.07 -0.04 1.41 1.48 2b30C1 PHE 79 H 0.19 0.38 -0.21 -0.55 8.34 8.15 2b30C1 PHE 79 HA 0.20 -0.02 0.51 -0.75 4.62 4.56 2b30C1 PHE 79 HB2 0.08 0.06 0.12 -0.04 3.15 3.37 2b30C1 PHE 79 HB3 0.08 -0.02 -0.07 -0.04 3.06 3.01 2b30C1 PHE 79 HD2 0.11 0.02 -0.08 -0.04 7.28 7.29 2b30C1 PHE 79 HE2 0.21 -0.06 -0.12 -0.04 7.38 7.37 2b30C1 PHE 79 HZ 0.35 -0.03 -0.12 -0.04 7.32 7.49 2b30C1 GLY 80 H 0.19 0.34 -0.35 -0.55 8.43 8.06 2b30C1 GLY 80 HA2 0.10 0.03 0.39 -0.51 4.01 4.02 2b30C1 GLY 80 HA3 0.11 0.09 0.65 -0.51 4.01 4.36 2b30C1 GLU 81 H 0.07 0.17 0.13 -0.55 8.60 8.42 2b30C1 GLU 81 HA 0.07 0.09 0.42 -0.75 4.29 4.11 2b30C1 GLU 81 HB2 0.05 0.02 0.16 -0.04 2.09 2.28 2b30C1 GLU 81 HB3 0.05 0.01 0.08 -0.04 1.99 2.08 2b30C1 GLU 81 HG2 0.08 -0.01 0.03 -0.04 2.34 2.39 2b30C1 GLU 81 HG3 0.06 0.01 0.03 -0.04 2.34 2.40 2b30C1 GLU 82 H 0.05 0.11 -0.14 -0.55 8.60 8.08 2b30C1 GLU 82 HA 0.03 0.06 0.29 -0.75 4.29 3.92 2b30C1 GLU 82 HB2 0.03 -0.02 0.10 -0.04 2.09 2.17 2b30C1 GLU 82 HB3 0.04 0.06 0.06 -0.04 1.99 2.10 2b30C1 GLU 82 HG2 0.02 0.03 -0.11 -0.04 2.34 2.25 2b30C1 GLU 82 HG3 0.02 -0.00 0.06 -0.04 2.34 2.38 2b30C1 ASN 83 H 0.06 0.28 -0.35 -0.55 8.53 7.98 2b30C1 ASN 83 HA 0.01 0.06 0.56 -0.75 4.76 4.64 2b30C1 ASN 83 HB2 0.16 0.34 0.05 -0.04 2.88 3.39 2b30C1 ASN 83 HB3 0.08 -0.07 0.00 -0.04 2.79 2.76 2b30C1 ASN 83 HD21 0.11 -0.07 0.08 -0.04 7.03 7.11 2b30C1 ASN 83 HD22 0.22 0.40 0.22 -0.04 7.74 8.54 2b30C1 LEU 84 H -0.05 0.38 -0.17 -0.55 8.37 7.99 2b30C1 LEU 84 HA -0.37 0.10 0.61 -0.75 4.35 3.94 2b30C1 LEU 84 HB2 -0.12 0.02 0.12 -0.04 1.64 1.62 2b30C1 LEU 84 HB3 -0.73 0.12 0.09 -0.04 1.64 1.08 2b30C1 LEU 84 HG -0.02 0.27 0.00 -0.04 1.64 1.85 2b30C1 LEU 84 HD13 0.06 -0.04 -0.03 -0.04 0.93 0.87 2b30C1 LEU 84 HD23 -0.27 -0.01 -0.00 -0.04 0.89 0.57 2b30C1 LYS 85 H -0.03 0.43 -0.03 -0.55 8.42 8.24 2b30C1 LYS 85 HA 0.08 0.06 0.53 -0.75 4.32 4.24 2b30C1 LYS 85 HB2 0.03 0.08 0.07 -0.04 1.87 2.02 2b30C1 LYS 85 HB3 0.06 0.01 0.04 -0.04 1.79 1.86 2b30C1 LYS 85 HG2 0.12 -0.02 0.00 -0.04 1.46 1.53 2b30C1 LYS 85 HG3 0.09 0.11 0.03 -0.04 1.46 1.65 2b30C1 LYS 85 HD2 0.04 -0.04 -0.07 -0.04 1.69 1.58 2b30C1 LYS 85 HD3 0.04 0.02 -0.02 -0.04 1.68 1.68 2b30C1 LYS 85 HE2 0.05 0.01 -0.03 -0.04 2.99 2.99 2b30C1 LYS 85 HE3 0.06 -0.05 -0.06 -0.04 2.99 2.90 2b30C1 LYS 86 H -0.03 0.35 -0.20 -0.55 8.42 7.98 2b30C1 LYS 86 HA -0.01 0.02 0.38 -0.75 4.32 3.96 2b30C1 LYS 86 HB2 -0.00 0.04 0.15 -0.04 1.87 2.02 2b30C1 LYS 86 HB3 -0.02 0.07 0.15 -0.04 1.79 1.96 2b30C1 LYS 86 HG2 -0.01 0.02 -0.19 -0.04 1.46 1.24 2b30C1 LYS 86 HG3 -0.00 -0.00 0.04 -0.04 1.46 1.46 2b30C1 LYS 86 HD2 0.01 -0.01 -0.00 -0.04 1.69 1.64 2b30C1 LYS 86 HD3 0.01 -0.04 -0.02 -0.04 1.68 1.58 2b30C1 LYS 86 HE2 0.00 0.02 -0.01 -0.04 2.99 2.96 2b30C1 LYS 86 HE3 0.01 -0.04 -0.01 -0.04 2.99 2.90 2b30C1 MET 87 H -0.10 0.23 -0.42 -0.55 8.47 7.63 2b30C1 MET 87 HA -0.05 0.06 0.57 -0.75 4.52 4.35 2b30C1 MET 87 HB2 -0.18 0.02 0.22 -0.04 2.15 2.16 2b30C1 MET 87 HB3 -0.07 -0.05 -0.13 -0.04 2.03 1.74 2b30C1 MET 87 HG2 -0.08 -0.04 0.05 -0.04 2.63 2.53 2b30C1 MET 87 HG3 -0.09 0.05 0.06 -0.04 2.56 2.54 2b30C1 MET 87 HE3 0.04 -0.03 -0.04 -0.04 2.10 2.03 2b30C1 ASN 88 H -0.11 0.32 -0.20 -0.55 8.53 7.99 2b30C1 ASN 88 HA 0.05 -0.05 0.32 -0.75 4.76 4.34 2b30C1 ASN 88 HB2 0.04 0.02 -0.08 -0.04 2.88 2.82 2b30C1 ASN 88 HB3 0.04 0.25 0.39 -0.04 2.79 3.42 2b30C1 ASN 88 HD21 0.07 -0.06 0.05 -0.04 7.03 7.05 2b30C1 ASN 88 HD22 0.05 0.07 0.06 -0.04 7.74 7.88 2b30C1 PHE 89 H -0.39 0.36 0.07 -0.55 8.34 7.83 2b30C1 PHE 89 HA -0.10 0.20 0.79 -0.75 4.62 4.76 2b30C1 PHE 89 HB2 -0.15 0.18 -0.26 -0.04 3.15 2.88 2b30C1 PHE 89 HB3 -0.34 -0.06 -0.01 -0.04 3.06 2.61 2b30C1 PHE 89 HD2 -0.16 0.09 -0.03 -0.04 7.28 7.15 2b30C1 PHE 89 HE2 0.08 0.12 -0.12 -0.04 7.38 7.42 2b30C1 PHE 89 HZ 0.07 0.06 -0.18 -0.04 7.32 7.23 2b30C1 TYR 90 H -0.45 0.24 0.07 -0.55 8.29 7.60 2b30C1 TYR 90 HA -0.26 0.16 0.75 -0.75 4.56 4.46 2b30C1 TYR 90 HB2 -0.16 0.08 0.01 -0.04 3.06 2.95 2b30C1 TYR 90 HB3 -0.15 -0.03 0.09 -0.04 2.98 2.85 2b30C1 TYR 90 HD2 -0.06 0.02 -0.17 -0.04 7.15 6.90 2b30C1 TYR 90 HE2 -0.02 0.01 -0.15 -0.04 6.85 6.65 2b30C1 GLY 91 H -1.55 0.16 -0.13 -0.55 8.43 6.37 2b30C1 GLY 91 HA2 -0.31 0.01 0.19 -0.51 4.01 3.39 2b30C1 GLY 91 HA3 -0.10 -0.01 0.25 -0.51 4.01 3.65 2b30C1 MET 92 H -0.34 0.08 -0.31 -0.55 8.47 7.35 2b30C1 MET 92 HA 0.13 0.00 0.64 -0.75 4.52 4.54 2b30C1 MET 92 HB2 0.01 0.03 0.01 -0.04 2.15 2.16 2b30C1 MET 92 HB3 0.08 0.06 -0.10 -0.04 2.03 2.02 2b30C1 MET 92 HG2 -0.06 -0.05 -0.15 -0.04 2.63 2.33 2b30C1 MET 92 HG3 -0.10 0.05 -0.45 -0.04 2.56 2.02 2b30C1 MET 92 HE3 -0.05 0.03 -0.08 -0.04 2.10 1.96 2b30C1 PRO 93 HA 0.20 0.13 0.01 -0.51 4.44 4.27 2b30C1 PRO 93 HB2 0.14 0.04 -0.06 -0.04 2.28 2.36 2b30C1 PRO 93 HB3 0.19 -0.20 -0.06 -0.04 2.02 1.91 2b30C1 PRO 93 HG2 0.10 0.05 -0.14 -0.04 2.03 1.99 2b30C1 PRO 93 HG3 -0.02 0.00 0.01 -0.04 2.03 1.98 2b30C1 PRO 93 HD2 0.23 0.30 0.38 -0.04 3.68 4.55 2b30C1 PRO 93 HD3 0.11 0.04 0.23 -0.04 3.65 3.98 2b30C1 GLY 94 H 0.18 0.43 0.25 -0.55 8.43 8.75 2b30C1 GLY 94 HA2 -0.06 0.01 0.52 -0.51 4.01 3.96 2b30C1 GLY 94 HA3 -0.14 0.09 0.35 -0.51 4.01 3.79 2b30C1 VAL 95 H -0.38 0.69 0.26 -0.55 8.24 8.27 2b30C1 VAL 95 HA -0.14 0.21 0.97 -0.75 4.13 4.41 2b30C1 VAL 95 HB -0.10 -0.08 0.17 -0.04 2.12 2.07 2b30C1 VAL 95 HG13 -0.02 -0.02 -0.10 -0.04 0.97 0.79 2b30C1 VAL 95 HG23 0.00 0.03 -0.25 -0.04 0.95 0.69 2b30C1 TYR 96 H -0.03 0.87 0.34 -0.55 8.29 8.91 2b30C1 TYR 96 HA -0.03 0.16 0.85 -0.75 4.56 4.79 2b30C1 TYR 96 HB2 -0.06 0.07 0.00 -0.04 3.06 3.03 2b30C1 TYR 96 HB3 -0.04 -0.01 0.11 -0.04 2.98 3.00 2b30C1 TYR 96 HD2 0.03 0.05 -0.31 -0.04 7.15 6.88 2b30C1 TYR 96 HE2 0.11 0.09 -0.11 -0.04 6.85 6.89 2b30C1 ILE 97 H 0.07 0.72 -0.04 -0.55 8.25 8.45 2b30C1 ILE 97 HA -0.06 0.21 0.23 -0.75 4.18 3.81 2b30C1 ILE 97 HB -0.03 -0.02 -0.16 -0.04 1.89 1.64 2b30C1 ILE 97 HG12 -0.14 0.04 -0.19 -0.04 1.49 1.15 2b30C1 ILE 97 HG13 -0.00 -0.01 -0.21 -0.04 1.21 0.94 2b30C1 ILE 97 HG23 -0.06 0.00 -0.08 -0.04 0.93 0.75 2b30C1 ILE 97 HD13 -0.03 0.02 -0.09 -0.04 0.88 0.74 2b30C1 ASN 98 H -0.01 0.38 0.04 -0.55 8.53 8.39 2b30C1 ASN 98 HA 0.01 -0.07 0.07 -0.75 4.76 4.01 2b30C1 ASN 98 HB2 0.11 0.19 -0.29 -0.04 2.88 2.84 2b30C1 ASN 98 HB3 0.20 -0.02 0.10 -0.04 2.79 3.03 2b30C1 ASN 98 HD21 0.12 -0.08 -0.07 -0.04 7.03 6.97 2b30C1 ASN 98 HD22 0.22 0.13 -0.17 -0.04 7.74 7.88 2b30C1 GLY 99 H 0.00 0.26 -0.60 -0.55 8.43 7.55 2b30C1 GLY 99 HA2 0.01 -0.04 0.13 -0.51 4.01 3.61 2b30C1 GLY 99 HA3 0.07 0.15 0.04 -0.51 4.01 3.77 2b30C1 THR 100 H -0.03 0.53 -0.24 -0.55 8.28 8.00 2b30C1 THR 100 HA -0.20 0.10 0.57 -0.75 4.39 4.11 2b30C1 THR 100 HB -0.18 0.13 0.23 -0.04 4.32 4.46 2b30C1 THR 100 HG23 -0.09 0.01 -0.03 -0.04 1.22 1.07 2b30C1 ILE 101 H -0.06 0.42 -0.07 -0.55 8.25 7.98 2b30C1 ILE 101 HA -0.22 0.37 0.75 -0.75 4.18 4.32 2b30C1 ILE 101 HB -0.03 -0.12 -0.05 -0.04 1.89 1.65 2b30C1 ILE 101 HG12 -0.16 0.13 0.06 -0.04 1.49 1.48 2b30C1 ILE 101 HG13 -0.09 -0.04 -0.30 -0.04 1.21 0.75 2b30C1 ILE 101 HG23 -0.38 0.01 -0.15 -0.04 0.93 0.36 2b30C1 ILE 101 HD13 -0.07 -0.02 -0.01 -0.04 0.88 0.74 2b30C1 VAL 102 H -0.32 0.61 0.20 -0.55 8.24 8.17 2b30C1 VAL 102 HA -0.09 0.27 1.10 -0.75 4.13 4.65 2b30C1 VAL 102 HB -0.22 -0.08 0.05 -0.04 2.12 1.83 2b30C1 VAL 102 HG13 0.02 0.02 -0.19 -0.04 0.97 0.78 2b30C1 VAL 102 HG23 -0.09 -0.00 -0.23 -0.04 0.95 0.58 2b30C1 TYR 103 H 0.14 0.40 0.31 -0.55 8.29 8.59 2b30C1 TYR 103 HA 0.04 0.28 1.01 -0.75 4.56 5.14 2b30C1 TYR 103 HB2 0.15 -0.01 0.15 -0.04 3.06 3.30 2b30C1 TYR 103 HB3 0.07 0.04 0.05 -0.04 2.98 3.10 2b30C1 TYR 103 HD2 0.11 0.13 -0.16 -0.04 7.15 7.20 2b30C1 TYR 103 HE2 -0.15 -0.09 -0.05 -0.04 6.85 6.52 2b30C1 ASP 104 H 0.23 0.42 0.18 -0.55 8.40 8.68 2b30C1 ASP 104 HA 0.29 0.22 0.82 -0.75 4.63 5.20 2b30C1 ASP 104 HB2 0.33 0.04 0.19 -0.04 2.71 3.22 2b30C1 ASP 104 HB3 -0.04 0.09 0.09 -0.04 2.70 2.80 2b30C1 GLN 105 H 0.44 0.23 0.13 -0.55 8.47 8.72 2b30C1 GLN 105 HA 0.15 0.08 -0.05 -0.75 4.36 3.78 2b30C1 GLN 105 HB2 0.06 0.02 0.12 -0.04 2.15 2.31 2b30C1 GLN 105 HB3 0.22 -0.02 0.04 -0.04 2.02 2.22 2b30C1 GLN 105 HG2 0.10 -0.01 -0.07 -0.04 2.40 2.37 2b30C1 GLN 105 HG3 0.11 0.14 0.03 -0.04 2.39 2.63 2b30C1 GLN 105 HE21 0.02 0.07 0.06 -0.04 6.97 7.08 2b30C1 GLN 105 HE22 0.09 0.06 0.12 -0.04 7.69 7.91 2b30C1 ILE 106 H 0.19 -0.04 -0.37 -0.55 8.25 7.48 2b30C1 ILE 106 HA 0.08 0.25 0.61 -0.75 4.18 4.36 2b30C1 ILE 106 HB 0.13 -0.12 -0.02 -0.04 1.89 1.83 2b30C1 ILE 106 HG12 0.18 -0.10 -0.03 -0.04 1.49 1.50 2b30C1 ILE 106 HG13 0.10 0.04 -0.01 -0.04 1.21 1.30 2b30C1 ILE 106 HG23 0.06 0.02 0.07 -0.04 0.93 1.04 2b30C1 ILE 106 HD13 0.10 0.05 -0.16 -0.04 0.88 0.83 2b30C1 GLY 107 H 0.14 0.38 -0.31 -0.55 8.43 8.09 2b30C1 GLY 107 HA2 -0.01 0.04 0.25 -0.51 4.01 3.79 2b30C1 GLY 107 HA3 -0.02 0.18 0.59 -0.51 4.01 4.25 2b30C1 TYR 108 H 0.23 -0.00 -0.26 -0.55 8.29 7.71 2b30C1 TYR 108 HA 0.07 0.08 0.44 -0.75 4.56 4.39 2b30C1 TYR 108 HB2 0.04 0.06 0.03 -0.04 3.06 3.15 2b30C1 TYR 108 HB3 0.02 -0.10 0.05 -0.04 2.98 2.91 2b30C1 TYR 108 HD2 -0.02 -0.06 -0.23 -0.04 7.15 6.79 2b30C1 TYR 108 HE2 -0.01 0.03 -0.10 -0.04 6.85 6.72 2b30C1 THR 109 H -0.51 0.14 0.15 -0.55 8.28 7.51 2b30C1 THR 109 HA -0.13 0.14 0.68 -0.75 4.39 4.33 2b30C1 THR 109 HB -0.35 -0.00 0.19 -0.04 4.32 4.12 2b30C1 THR 109 HG23 -0.25 -0.02 -0.17 -0.04 1.22 0.73 2b30C1 LEU 110 H -0.04 0.40 0.34 -0.55 8.37 8.51 2b30C1 LEU 110 HA 0.17 0.03 0.37 -0.75 4.35 4.17 2b30C1 LEU 110 HB2 -0.06 0.06 -0.03 -0.04 1.64 1.57 2b30C1 LEU 110 HB3 0.02 -0.01 -0.06 -0.04 1.64 1.55 2b30C1 LEU 110 HG 0.05 -0.05 -0.07 -0.04 1.64 1.53 2b30C1 LEU 110 HD13 -0.03 0.01 -0.23 -0.04 0.93 0.63 2b30C1 LEU 110 HD23 -0.27 0.01 -0.03 -0.04 0.89 0.56 2b30C1 LEU 111 H -0.26 0.34 -0.01 -0.55 8.37 7.90 2b30C1 LEU 111 HA -0.26 0.13 0.66 -0.75 4.35 4.11 2b30C1 LEU 111 HB2 -0.78 0.06 -0.29 -0.04 1.64 0.58 2b30C1 LEU 111 HB3 -0.35 -0.14 -0.08 -0.04 1.64 1.03 2b30C1 LEU 111 HG -0.27 0.02 -0.08 -0.04 1.64 1.26 2b30C1 LEU 111 HD13 -0.35 -0.00 0.05 -0.04 0.93 0.59 2b30C1 LEU 111 HD23 -0.34 0.02 -0.07 -0.04 0.89 0.46 2b30C1 ASP 112 H -0.18 0.19 0.00 -0.55 8.40 7.87 2b30C1 ASP 112 HA -0.18 0.18 0.59 -0.75 4.63 4.46 2b30C1 ASP 112 HB2 -0.17 0.04 0.03 -0.04 2.71 2.56 2b30C1 ASP 112 HB3 -0.13 0.01 0.15 -0.04 2.70 2.69 2b30C1 GLU 113 H -0.20 0.74 0.27 -0.55 8.60 8.87 2b30C1 GLU 113 HA -0.13 0.10 0.79 -0.75 4.29 4.29 2b30C1 GLU 113 HB2 -0.46 -0.02 0.21 -0.04 2.09 1.78 2b30C1 GLU 113 HB3 -0.35 0.04 0.02 -0.04 1.99 1.66 2b30C1 GLU 113 HG2 -0.19 -0.10 -0.02 -0.04 2.34 1.99 2b30C1 GLU 113 HG3 -0.31 0.04 0.01 -0.04 2.34 2.03 2b30C1 THR 114 H -0.09 0.18 0.22 -0.55 8.28 8.04 2b30C1 THR 114 HA -0.09 0.18 0.95 -0.75 4.39 4.68 2b30C1 THR 114 HB -0.11 0.02 -0.09 -0.04 4.32 4.09 2b30C1 THR 114 HG23 -0.09 -0.01 -0.23 -0.04 1.22 0.85 2b30C1 ILE 115 H -0.06 0.53 0.29 -0.55 8.25 8.47 2b30C1 ILE 115 HA 0.01 -0.01 0.60 -0.75 4.18 4.03 2b30C1 ILE 115 HB 0.07 -0.07 0.13 -0.04 1.89 1.98 2b30C1 ILE 115 HG12 0.02 -0.02 -0.17 -0.04 1.49 1.28 2b30C1 ILE 115 HG13 0.00 0.06 0.08 -0.04 1.21 1.31 2b30C1 ILE 115 HG23 0.10 0.04 -0.08 -0.04 0.93 0.95 2b30C1 ILE 115 HD13 0.09 0.01 -0.17 -0.04 0.88 0.77 2b30C1 GLU 116 H 0.04 0.11 0.24 -0.55 8.60 8.44 2b30C1 GLU 116 HA 0.02 0.12 0.46 -0.75 4.29 4.14 2b30C1 GLU 116 HB2 0.06 -0.12 0.17 -0.04 2.09 2.16 2b30C1 GLU 116 HB3 0.04 -0.03 0.15 -0.04 1.99 2.11 2b30C1 GLU 116 HG2 0.04 0.05 0.11 -0.04 2.34 2.50 2b30C1 GLU 116 HG3 0.03 0.08 0.14 -0.04 2.34 2.56 2b30C1 THR 117 H 0.03 0.16 0.23 -0.55 8.28 8.16 2b30C1 THR 117 HA 0.10 0.28 0.28 -0.75 4.39 4.29 2b30C1 THR 117 HB 0.06 0.06 0.17 -0.04 4.32 4.57 2b30C1 THR 117 HG23 -0.01 0.03 0.08 -0.04 1.22 1.29 2b30C1 ASP 118 H 0.06 0.04 -0.19 -0.55 8.40 7.77 2b30C1 ASP 118 HA 0.07 0.14 0.53 -0.75 4.63 4.61 2b30C1 ASP 118 HB2 0.05 0.07 0.02 -0.04 2.71 2.81 2b30C1 ASP 118 HB3 0.05 0.04 0.09 -0.04 2.70 2.84 2b30C1 VAL 119 H 0.08 0.08 -0.07 -0.55 8.24 7.78 2b30C1 VAL 119 HA 0.13 0.10 0.46 -0.75 4.13 4.07 2b30C1 VAL 119 HB 0.08 0.01 0.09 -0.04 2.12 2.26 2b30C1 VAL 119 HG13 0.10 0.06 -0.09 -0.04 0.97 1.01 2b30C1 VAL 119 HG23 0.08 0.01 0.09 -0.04 0.95 1.09 2b30C1 TYR 120 H 0.19 0.60 -0.21 -0.55 8.29 8.32 2b30C1 TYR 120 HA -0.02 -0.01 0.42 -0.75 4.56 4.19 2b30C1 TYR 120 HB2 0.01 -0.01 -0.07 -0.04 3.06 2.95 2b30C1 TYR 120 HB3 0.02 0.18 0.02 -0.04 2.98 3.16 2b30C1 TYR 120 HD2 0.02 0.07 -0.19 -0.04 7.15 7.00 2b30C1 TYR 120 HE2 0.08 0.15 -0.13 -0.04 6.85 6.91 2b30C1 ALA 121 H 0.14 0.47 -0.26 -0.55 8.40 8.20 2b30C1 ALA 121 HA -0.01 0.03 0.44 -0.75 4.34 4.04 2b30C1 ALA 121 HB3 0.08 0.05 0.14 -0.04 1.41 1.64 2b30C1 GLU 122 H 0.08 0.48 -0.14 -0.55 8.60 8.47 2b30C1 GLU 122 HA 0.11 0.02 0.44 -0.75 4.29 4.10 2b30C1 GLU 122 HB2 0.12 0.08 0.14 -0.04 2.09 2.39 2b30C1 GLU 122 HB3 0.27 0.12 0.10 -0.04 1.99 2.44 2b30C1 GLU 122 HG2 0.17 -0.03 -0.05 -0.04 2.34 2.38 2b30C1 GLU 122 HG3 0.08 -0.03 0.05 -0.04 2.34 2.40 2b30C1 LEU 123 H -0.02 0.43 -0.39 -0.55 8.37 7.84 2b30C1 LEU 123 HA -0.09 0.04 0.41 -0.75 4.35 3.96 2b30C1 LEU 123 HB2 -0.53 0.08 0.04 -0.04 1.64 1.19 2b30C1 LEU 123 HB3 -0.31 0.12 0.17 -0.04 1.64 1.58 2b30C1 LEU 123 HG -0.27 -0.05 -0.29 -0.04 1.64 0.99 2b30C1 LEU 123 HD13 -0.63 -0.02 -0.06 -0.04 0.93 0.19 2b30C1 LEU 123 HD23 -0.21 -0.01 -0.11 -0.04 0.89 0.52 2b30C1 ILE 124 H -0.27 0.70 -0.01 -0.55 8.25 8.12 2b30C1 ILE 124 HA -0.05 -0.05 0.46 -0.75 4.18 3.78 2b30C1 ILE 124 HB -0.14 0.16 0.10 -0.04 1.89 1.97 2b30C1 ILE 124 HG12 -0.98 0.27 0.04 -0.04 1.49 0.77 2b30C1 ILE 124 HG13 -0.29 0.05 -0.06 -0.04 1.21 0.88 2b30C1 ILE 124 HG23 0.01 -0.02 -0.11 -0.04 0.93 0.76 2b30C1 ILE 124 HD13 -0.00 -0.04 -0.08 -0.04 0.88 0.71 2b30C1 SER 125 H 0.03 0.50 -0.39 -0.55 8.46 8.05 2b30C1 SER 125 HA 0.05 -0.02 0.41 -0.75 4.49 4.18 2b30C1 SER 125 HB2 0.06 0.22 0.14 -0.04 3.95 4.33 2b30C1 SER 125 HB3 0.11 0.13 0.10 -0.04 3.93 4.23 2b30C1 TYR 126 H 0.27 0.51 -0.16 -0.55 8.29 8.35 2b30C1 TYR 126 HA 0.07 0.02 0.40 -0.75 4.56 4.31 2b30C1 TYR 126 HB2 0.26 0.09 0.11 -0.04 3.06 3.48 2b30C1 TYR 126 HB3 0.24 0.11 0.14 -0.04 2.98 3.42 2b30C1 TYR 126 HD2 0.08 0.01 -0.14 -0.04 7.15 7.05 2b30C1 TYR 126 HE2 0.05 -0.00 -0.08 -0.04 6.85 6.77 2b30C1 LEU 127 H 0.15 0.55 -0.19 -0.55 8.37 8.33 2b30C1 LEU 127 HA 0.05 0.05 0.34 -0.75 4.35 4.03 2b30C1 LEU 127 HB2 0.06 0.09 0.10 -0.04 1.64 1.85 2b30C1 LEU 127 HB3 0.06 -0.18 -0.16 -0.04 1.64 1.31 2b30C1 LEU 127 HG 0.05 0.33 -0.01 -0.04 1.64 1.98 2b30C1 LEU 127 HD13 -0.09 -0.02 -0.14 -0.04 0.93 0.64 2b30C1 LEU 127 HD23 0.09 -0.01 -0.14 -0.04 0.89 0.79 2b30C1 VAL 128 H 0.06 0.71 -0.09 -0.55 8.24 8.37 2b30C1 VAL 128 HA 0.06 -0.15 0.45 -0.75 4.13 3.74 2b30C1 VAL 128 HB 0.05 0.22 0.20 -0.04 2.12 2.55 2b30C1 VAL 128 HG13 0.03 -0.01 -0.10 -0.04 0.97 0.85 2b30C1 VAL 128 HG23 0.13 0.02 0.05 -0.04 0.95 1.11 2b30C1 GLU 129 H -0.02 0.65 -0.13 -0.55 8.60 8.55 2b30C1 GLU 129 HA -0.04 -0.00 0.39 -0.75 4.29 3.88 2b30C1 GLU 129 HB2 -0.03 -0.02 0.10 -0.04 2.09 2.10 2b30C1 GLU 129 HB3 -0.12 0.09 0.18 -0.04 1.99 2.09 2b30C1 GLU 129 HG2 -0.16 0.02 -0.27 -0.04 2.34 1.89 2b30C1 GLU 129 HG3 -0.06 -0.05 0.03 -0.04 2.34 2.22 2b30C1 LYS 130 H -0.20 0.54 -0.21 -0.55 8.42 8.00 2b30C1 LYS 130 HA -0.14 0.15 0.76 -0.75 4.32 4.34 2b30C1 LYS 130 HB2 -0.25 0.01 0.07 -0.04 1.87 1.66 2b30C1 LYS 130 HB3 -0.13 -0.08 0.13 -0.04 1.79 1.67 2b30C1 LYS 130 HG2 -0.80 0.05 -0.06 -0.04 1.46 0.61 2b30C1 LYS 130 HG3 -0.74 -0.06 -0.04 -0.04 1.46 0.58 2b30C1 LYS 130 HD2 -0.11 -0.05 0.01 -0.04 1.69 1.50 2b30C1 LYS 130 HD3 -0.17 0.08 -0.05 -0.04 1.68 1.49 2b30C1 LYS 130 HE2 -0.17 0.01 -0.06 -0.04 2.99 2.73 2b30C1 LYS 130 HE3 -0.05 -0.02 -0.05 -0.04 2.99 2.82 2b30C1 ASN 131 H -0.04 0.46 -0.44 -0.55 8.53 7.97 2b30C1 ASN 131 HA -0.01 -0.02 0.35 -0.75 4.76 4.32 2b30C1 ASN 131 HB2 -0.01 0.17 -0.02 -0.04 2.88 2.97 2b30C1 ASN 131 HB3 -0.01 -0.11 0.19 -0.04 2.79 2.83 2b30C1 ASN 131 HD21 -0.03 -0.01 0.02 -0.04 7.03 6.98 2b30C1 ASN 131 HD22 -0.02 -0.07 0.08 -0.04 7.74 7.69 2b30C1 LEU 132 H 0.01 0.61 -0.03 -0.55 8.37 8.42 2b30C1 LEU 132 HA 0.04 0.22 0.79 -0.75 4.35 4.64 2b30C1 LEU 132 HB2 0.03 0.02 -0.04 -0.04 1.64 1.60 2b30C1 LEU 132 HB3 0.03 -0.08 -0.03 -0.04 1.64 1.51 2b30C1 LEU 132 HG 0.00 0.32 -0.36 -0.04 1.64 1.56 2b30C1 LEU 132 HD13 0.05 -0.02 -0.09 -0.04 0.93 0.84 2b30C1 LEU 132 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.81 2b30C1 VAL 133 H 0.08 0.19 -0.12 -0.55 8.24 7.84 2b30C1 VAL 133 HA 0.16 0.10 0.40 -0.75 4.13 4.04 2b30C1 VAL 133 HB 0.19 0.02 0.01 -0.04 2.12 2.29 2b30C1 VAL 133 HG13 0.33 -0.00 -0.07 -0.04 0.97 1.19 2b30C1 VAL 133 HG23 0.18 0.01 -0.10 -0.04 0.95 1.00 2b30C1 ASN 134 H 0.08 0.17 -0.37 -0.55 8.53 7.87 2b30C1 ASN 134 HA 0.12 0.00 0.40 -0.75 4.76 4.53 2b30C1 ASN 134 HB2 0.05 0.11 -0.06 -0.04 2.88 2.94 2b30C1 ASN 134 HB3 0.04 0.07 0.03 -0.04 2.79 2.89 2b30C1 ASN 134 HD21 -0.02 -0.02 -0.01 -0.04 7.03 6.94 2b30C1 ASN 134 HD22 0.00 0.10 -0.02 -0.04 7.74 7.78 2b30C1 GLN 135 H 0.09 0.42 -0.56 -0.55 8.47 7.87 2b30C1 GLN 135 HA 0.18 0.03 0.57 -0.75 4.36 4.38 2b30C1 GLN 135 HB2 0.04 0.12 0.32 -0.04 2.15 2.59 2b30C1 GLN 135 HB3 0.25 -0.03 0.08 -0.04 2.02 2.27 2b30C1 GLN 135 HG2 0.07 -0.08 -0.04 -0.04 2.40 2.32 2b30C1 GLN 135 HG3 0.03 -0.01 0.01 -0.04 2.39 2.38 2b30C1 GLN 135 HE21 0.10 -0.22 0.11 -0.04 6.97 6.92 2b30C1 GLN 135 HE22 0.04 0.94 0.36 -0.04 7.69 8.99 2b30C1 THR 136 H 0.11 0.36 -0.01 -0.55 8.28 8.19 2b30C1 THR 136 HA -0.09 0.24 1.12 -0.75 4.39 4.91 2b30C1 THR 136 HB -0.04 0.01 0.16 -0.04 4.32 4.41 2b30C1 THR 136 HG23 -0.55 -0.01 -0.19 -0.04 1.22 0.43 2b30C1 ILE 137 H -0.09 0.79 0.44 -0.55 8.25 8.84 2b30C1 ILE 137 HA 0.13 0.28 1.03 -0.75 4.18 4.86 2b30C1 ILE 137 HB 0.02 -0.09 0.18 -0.04 1.89 1.96 2b30C1 ILE 137 HG12 0.06 0.06 -0.07 -0.04 1.49 1.50 2b30C1 ILE 137 HG13 -0.01 0.02 -0.17 -0.04 1.21 1.01 2b30C1 ILE 137 HG23 -0.21 -0.01 -0.19 -0.04 0.93 0.48 2b30C1 ILE 137 HD13 0.12 -0.03 -0.06 -0.04 0.88 0.87 2b30C1 PHE 138 H 0.35 0.68 0.36 -0.55 8.34 9.18 2b30C1 PHE 138 HA 0.11 0.18 0.86 -0.75 4.62 5.02 2b30C1 PHE 138 HB2 0.22 -0.04 0.21 -0.04 3.15 3.49 2b30C1 PHE 138 HB3 0.16 0.04 -0.00 -0.04 3.06 3.22 2b30C1 PHE 138 HD2 0.15 0.12 -0.05 -0.04 7.28 7.47 2b30C1 PHE 138 HE2 0.05 0.08 -0.03 -0.04 7.38 7.44 2b30C1 PHE 138 HZ 0.03 -0.05 -0.03 -0.04 7.32 7.22 2b30C1 HIS 139 H 0.21 0.82 0.41 -0.55 8.41 9.30 2b30C1 HIS 139 HA 0.09 0.23 1.09 -0.75 4.63 5.28 2b30C1 HIS 139 HB2 0.02 0.01 0.22 -0.04 3.26 3.47 2b30C1 HIS 139 HB3 0.01 0.01 -0.03 -0.04 3.20 3.14 2b30C1 HIS 139 HD2 -0.01 0.03 -0.22 -0.04 6.97 6.73 2b30C1 HIS 139 HE1 -0.03 -0.05 -0.11 -0.04 7.75 7.51 2b30C1 ARG 140 H 0.16 0.48 0.17 -0.55 8.46 8.72 2b30C1 ARG 140 HA 0.04 -0.05 0.83 -0.75 4.34 4.40 2b30C1 ARG 140 HB2 0.01 0.06 0.03 -0.04 1.90 1.96 2b30C1 ARG 140 HB3 0.12 0.01 0.10 -0.04 1.80 1.99 2b30C1 ARG 140 HG2 -0.11 0.04 -0.03 -0.04 1.67 1.53 2b30C1 ARG 140 HG3 -0.03 -0.02 -0.19 -0.04 1.67 1.39 2b30C1 ARG 140 HD2 -0.06 -0.14 0.07 -0.04 3.22 3.05 2b30C1 ARG 140 HD3 -0.12 0.15 -0.05 -0.04 3.22 3.16 2b30C1 GLY 141 H -0.00 0.14 0.08 -0.55 8.43 8.10 2b30C1 GLY 141 HA2 -0.02 0.09 0.33 -0.51 4.01 3.90 2b30C1 GLY 141 HA3 -0.01 0.04 0.43 -0.51 4.01 3.97 2b30C1 GLU 142 H -0.01 0.20 0.23 -0.55 8.60 8.47 2b30C1 GLU 142 HA -0.03 0.02 0.79 -0.75 4.29 4.32 2b30C1 GLU 142 HB2 -0.04 0.09 0.10 -0.04 2.09 2.20 2b30C1 GLU 142 HB3 -0.07 -0.05 0.21 -0.04 1.99 2.04 2b30C1 GLU 142 HG2 0.02 0.02 -0.02 -0.04 2.34 2.32 2b30C1 GLU 142 HG3 -0.07 0.10 0.03 -0.04 2.34 2.36 2b30C1 SER 143 H -0.02 0.52 0.01 -0.55 8.46 8.42 2b30C1 SER 143 HA -0.16 0.16 0.93 -0.75 4.49 4.67 2b30C1 SER 143 HB2 -0.07 0.09 0.10 -0.04 3.95 4.03 2b30C1 SER 143 HB3 -0.44 0.01 0.10 -0.04 3.93 3.56 2b30C1 ASN 144 H -0.40 0.25 0.23 -0.55 8.53 8.07 2b30C1 ASN 144 HA -0.30 0.30 0.66 -0.75 4.76 4.66 2b30C1 ASN 144 HB2 -0.62 0.00 -0.02 -0.04 2.88 2.21 2b30C1 ASN 144 HB3 -0.43 0.00 -0.13 -0.04 2.79 2.20 2b30C1 ASN 144 HD21 -0.05 0.07 -0.12 -0.04 7.03 6.88 2b30C1 ASN 144 HD22 -0.06 -0.03 -0.22 -0.04 7.74 7.39 2b30C1 TYR 145 H 0.11 0.49 0.40 -0.55 8.29 8.73 2b30C1 TYR 145 HA 0.03 0.30 1.08 -0.75 4.56 5.21 2b30C1 TYR 145 HB2 0.06 -0.06 0.05 -0.04 3.06 3.08 2b30C1 TYR 145 HB3 0.03 0.07 0.03 -0.04 2.98 3.07 2b30C1 TYR 145 HD2 0.05 0.12 -0.05 -0.04 7.15 7.23 2b30C1 TYR 145 HE2 -0.04 -0.00 -0.08 -0.04 6.85 6.68 2b30C1 VAL 146 H 0.14 0.74 0.37 -0.55 8.24 8.94 2b30C1 VAL 146 HA 0.25 0.23 0.85 -0.75 4.13 4.71 2b30C1 VAL 146 HB 0.13 -0.02 0.08 -0.04 2.12 2.28 2b30C1 VAL 146 HG13 0.12 0.01 -0.15 -0.04 0.97 0.92 2b30C1 VAL 146 HG23 0.09 -0.01 -0.17 -0.04 0.95 0.82 2b30C1 THR 147 H 0.15 0.18 0.19 -0.55 8.28 8.24 2b30C1 THR 147 HA 0.02 0.32 0.60 -0.75 4.39 4.58 2b30C1 THR 147 HB 0.10 0.11 0.07 -0.04 4.32 4.56 2b30C1 THR 147 HG23 0.12 -0.05 -0.11 -0.04 1.22 1.14 2b30C1 GLU 148 H 0.04 0.11 0.27 -0.55 8.60 8.48 2b30C1 GLU 148 HA 0.03 0.13 0.35 -0.75 4.29 4.05 2b30C1 GLU 148 HB2 0.02 0.06 0.02 -0.04 2.09 2.15 2b30C1 GLU 148 HB3 0.02 -0.12 0.08 -0.04 1.99 1.94 2b30C1 GLU 148 HG2 0.03 -0.16 0.04 -0.04 2.34 2.21 2b30C1 GLU 148 HG3 0.02 0.12 -0.51 -0.04 2.34 1.93 2b30C1 ASP 149 H 0.04 -0.03 -0.17 -0.55 8.40 7.69 2b30C1 ASP 149 HA 0.01 0.21 0.64 -0.75 4.63 4.74 2b30C1 ASP 149 HB2 0.02 -0.08 0.03 -0.04 2.71 2.65 2b30C1 ASP 149 HB3 0.00 0.06 0.14 -0.04 2.70 2.86 2b30C1 ASN 150 H 0.05 0.38 -0.54 -0.55 8.53 7.88 2b30C1 ASN 150 HA 0.05 0.27 0.62 -0.75 4.76 4.95 2b30C1 ASN 150 HB2 0.11 -0.17 0.09 -0.04 2.88 2.87 2b30C1 ASN 150 HB3 0.09 0.06 0.04 -0.04 2.79 2.94 2b30C1 ASN 150 HD21 0.13 -0.05 -0.33 -0.04 7.03 6.74 2b30C1 ASN 150 HD22 0.16 -0.02 -0.06 -0.04 7.74 7.78 2b30C1 LYS 151 H -0.05 0.27 0.27 -0.55 8.42 8.36 2b30C1 LYS 151 HA -0.06 0.15 0.56 -0.75 4.32 4.22 2b30C1 LYS 151 HB2 -0.31 0.02 0.14 -0.04 1.87 1.67 2b30C1 LYS 151 HB3 -0.24 -0.01 0.07 -0.04 1.79 1.57 2b30C1 LYS 151 HG2 -0.05 0.01 -0.05 -0.04 1.46 1.34 2b30C1 LYS 151 HG3 -0.04 0.07 -0.28 -0.04 1.46 1.17 2b30C1 LYS 151 HD2 -0.08 0.01 0.08 -0.04 1.69 1.65 2b30C1 LYS 151 HD3 -0.09 -0.03 0.04 -0.04 1.68 1.55 2b30C1 LYS 151 HE2 -0.03 -0.02 0.00 -0.04 2.99 2.90 2b30C1 LYS 151 HE3 -0.03 0.08 0.02 -0.04 2.99 3.02 2b30C1 TYR 152 H 0.04 0.16 -0.10 -0.55 8.29 7.85 2b30C1 TYR 152 HA 0.08 0.17 0.67 -0.75 4.56 4.72 2b30C1 TYR 152 HB2 -0.08 0.05 0.08 -0.04 3.06 3.07 2b30C1 TYR 152 HB3 -0.10 -0.10 0.17 -0.04 2.98 2.91 2b30C1 TYR 152 HD2 -0.02 0.00 0.04 -0.04 7.15 7.13 2b30C1 TYR 152 HE2 -0.01 0.05 -0.03 -0.04 6.85 6.81 2b30C1 ALA 153 H 0.09 0.41 -0.53 -0.55 8.40 7.82 2b30C1 ALA 153 HA 0.12 0.07 0.44 -0.75 4.34 4.22 2b30C1 ALA 153 HB3 0.07 0.07 -0.00 -0.04 1.41 1.50 2b30C1 ASP 154 H 0.14 0.20 -0.17 -0.55 8.40 8.02 2b30C1 ASP 154 HA 0.08 0.14 0.61 -0.75 4.63 4.71 2b30C1 ASP 154 HB2 0.06 0.07 0.05 -0.04 2.71 2.85 2b30C1 ASP 154 HB3 0.10 0.06 0.04 -0.04 2.70 2.86 2b30C1 PHE 155 H 0.30 0.36 -0.70 -0.55 8.34 7.74 2b30C1 PHE 155 HA 0.10 0.07 0.10 -0.75 4.62 4.13 2b30C1 PHE 155 HB2 0.17 0.05 0.06 -0.04 3.15 3.40 2b30C1 PHE 155 HB3 0.08 0.01 0.08 -0.04 3.06 3.19 2b30C1 PHE 155 HD2 0.09 0.00 -0.09 -0.04 7.28 7.24 2b30C1 PHE 155 HE2 0.03 0.00 -0.08 -0.04 7.38 7.29 2b30C1 PHE 155 HZ 0.04 -0.01 -0.06 -0.04 7.32 7.25 2b30C1 LEU 156 H 0.23 0.20 -0.08 -0.55 8.37 8.17 2b30C1 LEU 156 HA 0.16 0.04 0.32 -0.75 4.35 4.11 2b30C1 LEU 156 HB2 0.09 0.10 -0.06 -0.04 1.64 1.74 2b30C1 LEU 156 HB3 0.08 0.03 -0.10 -0.04 1.64 1.60 2b30C1 LEU 156 HG 0.22 -0.01 -0.03 -0.04 1.64 1.78 2b30C1 LEU 156 HD13 0.10 0.01 -0.09 -0.04 0.93 0.91 2b30C1 LEU 156 HD23 0.12 -0.01 -0.09 -0.04 0.89 0.87 2b30C1 GLN 157 H 0.05 0.10 -0.59 -0.55 8.47 7.48 2b30C1 GLN 157 HA 0.02 0.01 0.28 -0.75 4.36 3.93 2b30C1 GLN 157 HB2 0.03 -0.07 -0.42 -0.04 2.15 1.65 2b30C1 GLN 157 HB3 0.03 0.04 -0.03 -0.04 2.02 2.02 2b30C1 GLN 157 HG2 0.02 0.02 -0.19 -0.04 2.40 2.21 2b30C1 GLN 157 HG3 0.02 0.26 -0.01 -0.04 2.39 2.62 2b30C1 GLN 157 HE21 0.02 -0.00 -0.01 -0.04 6.97 6.94 2b30C1 GLN 157 HE22 0.02 0.06 -0.00 -0.04 7.69 7.73 2b30C1 LYS 158 H -0.01 0.57 -0.00 -0.55 8.42 8.43 2b30C1 LYS 158 HA -0.02 0.10 0.40 -0.75 4.32 4.05 2b30C1 LYS 158 HB2 -0.03 -0.02 0.11 -0.04 1.87 1.89 2b30C1 LYS 158 HB3 -0.02 -0.02 0.01 -0.04 1.79 1.72 2b30C1 LYS 158 HG2 0.02 -0.02 0.02 -0.04 1.46 1.43 2b30C1 LYS 158 HG3 0.04 0.09 0.06 -0.04 1.46 1.61 2b30C1 LYS 158 HD2 0.04 -0.02 -0.02 -0.04 1.69 1.65 2b30C1 LYS 158 HD3 0.02 0.02 0.00 -0.04 1.68 1.68 2b30C1 LYS 158 HE2 0.03 0.02 -0.00 -0.04 2.99 3.00 2b30C1 LYS 158 HE3 0.04 -0.01 0.01 -0.04 2.99 2.98 2b30C1 MET 159 H -0.28 0.59 -0.01 -0.55 8.47 8.23 2b30C1 MET 159 HA -0.32 0.06 0.40 -0.75 4.52 3.90 2b30C1 MET 159 HB2 -1.00 0.18 0.07 -0.04 2.15 1.36 2b30C1 MET 159 HB3 -1.47 -0.08 -0.08 -0.04 2.03 0.36 2b30C1 MET 159 HG2 -0.32 -0.01 -0.03 -0.04 2.63 2.22 2b30C1 MET 159 HG3 -0.97 -0.04 -0.01 -0.04 2.56 1.49 2b30C1 MET 159 HE3 -0.03 -0.01 -0.03 -0.04 2.10 1.98 2b30C1 TYR 160 H -0.11 0.33 -0.23 -0.55 8.29 7.73 2b30C1 TYR 160 HA -0.04 0.15 0.78 -0.75 4.56 4.69 2b30C1 TYR 160 HB2 -0.12 0.07 0.06 -0.04 3.06 3.02 2b30C1 TYR 160 HB3 -0.19 -0.06 0.06 -0.04 2.98 2.76 2b30C1 TYR 160 HD2 -0.21 0.01 -0.12 -0.04 7.15 6.79 2b30C1 TYR 160 HE2 -0.12 -0.03 -0.11 -0.04 6.85 6.56 2b30C1 SER 161 H 0.02 0.22 -0.24 -0.55 8.46 7.92 2b30C1 SER 161 HA 0.06 0.17 0.33 -0.75 4.49 4.29 2b30C1 SER 161 HB2 0.18 0.04 -0.06 -0.04 3.95 4.07 2b30C1 SER 161 HB3 0.13 0.06 0.16 -0.04 3.93 4.24 2b30C1 GLU 162 H 0.03 0.12 -0.08 -0.55 8.60 8.13 2b30C1 GLU 162 HA 0.01 0.18 0.61 -0.75 4.29 4.33 2b30C1 GLU 162 HB2 0.04 0.09 -0.32 -0.04 2.09 1.85 2b30C1 GLU 162 HB3 0.02 0.07 -0.22 -0.04 1.99 1.81 2b30C1 GLU 162 HG2 -0.01 -0.10 -0.00 -0.04 2.34 2.18 2b30C1 GLU 162 HG3 -0.03 0.25 0.04 -0.04 2.34 2.56 2b30C1 ASN 163 H -0.00 0.06 0.02 -0.55 8.53 8.06 2b30C1 ASN 163 HA 0.01 0.16 0.75 -0.75 4.76 4.92 2b30C1 ASN 163 HB2 -0.02 -0.03 0.01 -0.04 2.88 2.80 2b30C1 ASN 163 HB3 -0.01 0.06 0.07 -0.04 2.79 2.87 2b30C1 ASN 163 HD21 -0.01 0.02 -0.04 -0.04 7.03 6.96 2b30C1 ASN 163 HD22 -0.03 -0.03 -0.03 -0.04 7.74 7.61 2b30C1 ARG 164 H 0.01 0.13 0.08 -0.55 8.46 8.13 2b30C1 ARG 164 HA 0.03 -0.08 0.42 -0.75 4.34 3.95 2b30C1 ARG 164 HB2 0.01 0.01 0.05 -0.04 1.90 1.94 2b30C1 ARG 164 HB3 0.03 0.11 0.08 -0.04 1.80 1.98 2b30C1 ARG 164 HG2 0.03 -0.04 0.09 -0.04 1.67 1.70 2b30C1 ARG 164 HG3 0.02 -0.06 0.15 -0.04 1.67 1.74 2b30C1 ARG 164 HD2 0.02 -0.00 0.01 -0.04 3.22 3.20 2b30C1 ARG 164 HD3 0.03 0.04 -0.01 -0.04 3.22 3.24 2b30C1 SER 165 H 0.04 0.13 0.17 -0.55 8.46 8.25 2b30C1 SER 165 HA -0.06 0.09 0.58 -0.75 4.49 4.34 2b30C1 SER 165 HB2 0.05 0.00 -0.07 -0.04 3.95 3.89 2b30C1 SER 165 HB3 -0.01 0.02 -0.17 -0.04 3.93 3.72 2b30C1 ILE 166 H -0.13 0.51 0.36 -0.55 8.25 8.44 2b30C1 ILE 166 HA 0.01 0.09 0.71 -0.75 4.18 4.24 2b30C1 ILE 166 HB -0.02 -0.04 0.17 -0.04 1.89 1.96 2b30C1 ILE 166 HG12 -0.04 0.03 0.04 -0.04 1.49 1.48 2b30C1 ILE 166 HG13 -0.16 0.01 0.15 -0.04 1.21 1.17 2b30C1 ILE 166 HG23 0.12 0.01 -0.10 -0.04 0.93 0.92 2b30C1 ILE 166 HD13 -0.14 -0.01 0.03 -0.04 0.88 0.71 2b30C1 ILE 167 H 0.05 0.17 0.18 -0.55 8.25 8.09 2b30C1 ILE 167 HA 0.07 0.18 0.67 -0.75 4.18 4.35 2b30C1 ILE 167 HB 0.04 -0.03 0.10 -0.04 1.89 1.96 2b30C1 ILE 167 HG12 0.05 0.00 -0.09 -0.04 1.49 1.42 2b30C1 ILE 167 HG13 0.04 0.07 -0.07 -0.04 1.21 1.21 2b30C1 ILE 167 HG23 0.04 0.02 -0.20 -0.04 0.93 0.75 2b30C1 ILE 167 HD13 0.03 -0.00 -0.01 -0.04 0.88 0.86 2b30C1 ILE 168 H 0.05 0.68 0.33 -0.55 8.25 8.75 2b30C1 ILE 168 HA 0.02 0.17 0.80 -0.75 4.18 4.42 2b30C1 ILE 168 HB -0.05 -0.06 0.05 -0.04 1.89 1.79 2b30C1 ILE 168 HG12 0.04 0.16 -0.03 -0.04 1.49 1.62 2b30C1 ILE 168 HG13 -0.08 -0.08 -0.24 -0.04 1.21 0.76 2b30C1 ILE 168 HG23 0.09 0.01 -0.25 -0.04 0.93 0.74 2b30C1 ILE 168 HD13 -0.14 -0.02 -0.18 -0.04 0.88 0.50 2b30C1 ARG 169 H -0.02 0.18 0.16 -0.55 8.46 8.23 2b30C1 ARG 169 HA 0.01 0.05 0.60 -0.75 4.34 4.25 2b30C1 ARG 169 HB2 -0.01 0.12 0.17 -0.04 1.90 2.15 2b30C1 ARG 169 HB3 -0.03 -0.09 0.08 -0.04 1.80 1.72 2b30C1 ARG 169 HG2 -0.01 0.12 0.06 -0.04 1.67 1.80 2b30C1 ARG 169 HG3 0.01 -0.15 0.11 -0.04 1.67 1.60 2b30C1 ARG 169 HD2 0.01 -0.04 0.10 -0.04 3.22 3.25 2b30C1 ARG 169 HD3 0.00 0.11 0.05 -0.04 3.22 3.34 2b30C1 HIS 170 H 0.09 0.20 0.24 -0.55 8.41 8.39 2b30C1 HIS 170 HA -0.09 0.09 0.36 -0.75 4.63 4.24 2b30C1 HIS 170 HB2 -0.03 -0.03 0.18 -0.04 3.26 3.34 2b30C1 HIS 170 HB3 -0.03 0.05 0.15 -0.04 3.20 3.31 2b30C1 HIS 170 HD2 -0.00 -0.04 -0.01 -0.04 6.97 6.88 2b30C1 HIS 170 HE1 -0.01 0.08 -0.04 -0.04 7.75 7.73 2b30C1 ASN 171 H 0.02 0.08 -0.11 -0.55 8.53 7.97 2b30C1 ASN 171 HA -0.07 0.13 0.35 -0.75 4.76 4.43 2b30C1 ASN 171 HB2 -0.03 0.10 0.05 -0.04 2.88 2.96 2b30C1 ASN 171 HB3 0.01 0.01 0.07 -0.04 2.79 2.84 2b30C1 ASN 171 HD21 -0.04 0.02 -0.10 -0.04 7.03 6.87 2b30C1 ASN 171 HD22 -0.05 0.06 -0.16 -0.04 7.74 7.54 2b30C1 GLU 172 H -0.12 0.07 -0.44 -0.55 8.60 7.57 2b30C1 GLU 172 HA -0.24 0.14 0.50 -0.75 4.29 3.94 2b30C1 GLU 172 HB2 -0.16 0.14 0.07 -0.04 2.09 2.10 2b30C1 GLU 172 HB3 -0.24 0.04 -0.01 -0.04 1.99 1.74 2b30C1 GLU 172 HG2 -0.10 0.09 0.01 -0.04 2.34 2.29 2b30C1 GLU 172 HG3 -0.09 -0.11 -0.02 -0.04 2.34 2.08 2b30C1 MET 173 H -0.28 0.31 -0.13 -0.55 8.47 7.82 2b30C1 MET 173 HA -0.46 0.00 0.36 -0.75 4.52 3.67 2b30C1 MET 173 HB2 -0.36 0.00 0.03 -0.04 2.15 1.78 2b30C1 MET 173 HB3 -0.47 0.00 0.13 -0.04 2.03 1.64 2b30C1 MET 173 HG2 -0.72 0.00 -0.06 -0.04 2.63 1.81 2b30C1 MET 173 HG3 -0.56 0.00 -0.17 -0.04 2.56 1.79 2b30C1 MET 173 HE3 -0.20 0.00 0.00 -0.04 2.10 1.87 2b30C1 LEU 174 H -0.31 0.37 -0.26 -0.55 8.37 7.62 2b30C1 LEU 174 HA -0.12 0.08 0.28 -0.75 4.35 3.84 2b30C1 LEU 174 HB2 -0.14 0.10 0.00 -0.04 1.64 1.57 2b30C1 LEU 174 HB3 -0.08 0.01 0.07 -0.04 1.64 1.60 2b30C1 LEU 174 HG -0.45 0.08 0.03 -0.04 1.64 1.26 2b30C1 LEU 174 HD13 0.00 -0.02 -0.05 -0.04 0.93 0.82 2b30C1 LEU 174 HD23 -0.11 -0.00 -0.05 -0.04 0.89 0.68 2b30C1 LYS 175 H -0.33 0.29 -0.76 -0.55 8.42 7.06 2b30C1 LYS 175 HA -0.10 0.08 0.53 -0.75 4.32 4.08 2b30C1 LYS 175 HB2 -0.29 0.07 0.15 -0.04 1.87 1.75 2b30C1 LYS 175 HB3 -0.36 -0.03 -0.00 -0.04 1.79 1.36 2b30C1 LYS 175 HG2 -0.09 -0.04 0.05 -0.04 1.46 1.33 2b30C1 LYS 175 HG3 -0.08 0.01 0.07 -0.04 1.46 1.41 2b30C1 LYS 175 HD2 -0.07 -0.03 -0.00 -0.04 1.69 1.55 2b30C1 LYS 175 HD3 -0.12 0.07 -0.00 -0.04 1.68 1.59 2b30C1 LYS 175 HE2 -0.19 -0.01 0.05 -0.04 2.99 2.80 2b30C1 LYS 175 HE3 -0.11 -0.01 0.01 -0.04 2.99 2.84 2b30C1 TYR 176 H -0.18 0.42 -0.19 -0.55 8.29 7.79 2b30C1 TYR 176 HA -0.08 0.06 0.67 -0.75 4.56 4.46 2b30C1 TYR 176 HB2 -0.09 0.10 0.15 -0.04 3.06 3.18 2b30C1 TYR 176 HB3 -0.13 -0.01 -0.01 -0.04 2.98 2.79 2b30C1 TYR 176 HD2 -0.23 0.01 -0.07 -0.04 7.15 6.82 2b30C1 TYR 176 HE2 -0.39 -0.03 -0.08 -0.04 6.85 6.31 2b30C1 ARG 177 H 0.04 0.12 0.15 -0.55 8.46 8.23 2b30C1 ARG 177 HA 0.14 0.18 0.31 -0.75 4.34 4.23 2b30C1 ARG 177 HB2 -0.00 -0.02 0.07 -0.04 1.90 1.91 2b30C1 ARG 177 HB3 0.04 -0.05 0.15 -0.04 1.80 1.90 2b30C1 ARG 177 HG2 0.04 0.11 -0.03 -0.04 1.67 1.75 2b30C1 ARG 177 HG3 0.03 -0.02 0.03 -0.04 1.67 1.66 2b30C1 ARG 177 HD2 0.05 -0.06 -0.01 -0.04 3.22 3.16 2b30C1 ARG 177 HD3 0.09 0.02 -0.09 -0.04 3.22 3.21 2b30C1 THR 178 H -0.25 0.18 -0.16 -0.55 8.28 7.50 2b30C1 THR 178 HA -1.40 0.07 0.18 -0.75 4.39 2.49 2b30C1 THR 178 HB -0.20 0.12 -0.04 -0.04 4.32 4.16 2b30C1 THR 178 HG23 -0.16 -0.04 -0.23 -0.04 1.22 0.75 2b30C1 MET 179 H -0.47 0.25 0.16 -0.55 8.47 7.86 2b30C1 MET 179 HA -0.09 0.11 0.58 -0.75 4.52 4.37 2b30C1 MET 179 HB2 0.13 -0.04 -0.10 -0.04 2.15 2.10 2b30C1 MET 179 HB3 0.11 0.18 0.12 -0.04 2.03 2.40 2b30C1 MET 179 HG2 0.06 0.01 -0.53 -0.04 2.63 2.13 2b30C1 MET 179 HG3 0.45 -0.04 -0.12 -0.04 2.56 2.81 2b30C1 MET 179 HE3 -0.01 0.01 -0.09 -0.04 2.10 1.97 2b30C1 ASN 180 H -0.00 0.26 0.39 -0.55 8.53 8.63 2b30C1 ASN 180 HA -0.06 0.13 0.90 -0.75 4.76 4.98 2b30C1 ASN 180 HB2 0.01 0.00 0.13 -0.04 2.88 2.98 2b30C1 ASN 180 HB3 -0.04 0.03 0.04 -0.04 2.79 2.77 2b30C1 ASN 180 HD21 -0.09 -0.06 -0.22 -0.04 7.03 6.62 2b30C1 ASN 180 HD22 -0.10 0.24 -0.06 -0.04 7.74 7.78 2b30C1 LYS 181 H 0.08 0.44 0.27 -0.55 8.42 8.66 2b30C1 LYS 181 HA 0.02 0.40 0.95 -0.75 4.32 4.93 2b30C1 LYS 181 HB2 -0.03 0.07 -0.21 -0.04 1.87 1.67 2b30C1 LYS 181 HB3 -0.03 -0.11 -0.02 -0.04 1.79 1.58 2b30C1 LYS 181 HG2 0.02 -0.11 -0.42 -0.04 1.46 0.91 2b30C1 LYS 181 HG3 0.00 0.15 -0.01 -0.04 1.46 1.56 2b30C1 LYS 181 HD2 -0.03 -0.11 -0.13 -0.04 1.69 1.38 2b30C1 LYS 181 HD3 -0.06 0.01 -0.15 -0.04 1.68 1.44 2b30C1 LYS 181 HE2 -0.31 0.23 0.01 -0.04 2.99 2.88 2b30C1 LYS 181 HE3 -0.58 -0.05 -0.13 -0.04 2.99 2.20 2b30C1 LEU 182 H 0.00 0.62 0.37 -0.55 8.37 8.81 2b30C1 LEU 182 HA -0.06 0.29 1.02 -0.75 4.35 4.85 2b30C1 LEU 182 HB2 -0.09 -0.02 0.14 -0.04 1.64 1.62 2b30C1 LEU 182 HB3 -0.22 0.02 -0.02 -0.04 1.64 1.38 2b30C1 LEU 182 HG 0.05 -0.04 -0.23 -0.04 1.64 1.38 2b30C1 LEU 182 HD13 -0.16 0.01 -0.12 -0.04 0.93 0.62 2b30C1 LEU 182 HD23 -0.26 0.03 0.01 -0.04 0.89 0.63 2b30C1 MET 183 H 0.01 0.60 0.32 -0.55 8.47 8.85 2b30C1 MET 183 HA 0.00 0.38 1.18 -0.75 4.52 5.33 2b30C1 MET 183 HB2 0.07 -0.02 0.01 -0.04 2.15 2.16 2b30C1 MET 183 HB3 0.09 -0.05 0.15 -0.04 2.03 2.18 2b30C1 MET 183 HG2 -0.06 -0.03 -0.38 -0.04 2.63 2.12 2b30C1 MET 183 HG3 0.02 0.06 -0.13 -0.04 2.56 2.47 2b30C1 MET 183 HE3 0.05 -0.00 -0.13 -0.04 2.10 1.97 2b30C1 ILE 184 H -0.01 0.72 0.30 -0.55 8.25 8.71 2b30C1 ILE 184 HA -0.08 0.24 0.98 -0.75 4.18 4.57 2b30C1 ILE 184 HB 0.01 -0.10 0.18 -0.04 1.89 1.93 2b30C1 ILE 184 HG12 -0.08 0.02 -0.22 -0.04 1.49 1.18 2b30C1 ILE 184 HG13 -0.05 0.02 -0.18 -0.04 1.21 0.97 2b30C1 ILE 184 HG23 0.00 0.03 -0.17 -0.04 0.93 0.75 2b30C1 ILE 184 HD13 -0.01 0.01 -0.12 -0.04 0.88 0.72 2b30C1 VAL 185 H -0.20 0.72 0.30 -0.55 8.24 8.51 2b30C1 VAL 185 HA -0.49 -0.06 0.64 -0.75 4.13 3.46 2b30C1 VAL 185 HB -0.70 0.09 0.22 -0.04 2.12 1.70 2b30C1 VAL 185 HG13 -1.57 -0.01 -0.15 -0.04 0.97 -0.80 2b30C1 VAL 185 HG23 -0.88 -0.02 -0.04 -0.04 0.95 -0.02 2b30C1 LEU 186 H 0.42 0.11 0.15 -0.55 8.37 8.50 2b30C1 LEU 186 HA 0.04 0.19 0.86 -0.75 4.35 4.68 2b30C1 LEU 186 HB2 0.08 0.09 -0.02 -0.04 1.64 1.75 2b30C1 LEU 186 HB3 0.05 -0.02 -0.03 -0.04 1.64 1.59 2b30C1 LEU 186 HG 0.05 0.01 -0.38 -0.04 1.64 1.28 2b30C1 LEU 186 HD13 0.05 0.03 -0.01 -0.04 0.93 0.95 2b30C1 LEU 186 HD23 0.04 0.02 -0.16 -0.04 0.89 0.76 2b30C1 ASP 187 H 0.07 0.15 0.13 -0.55 8.40 8.21 2b30C1 ASP 187 HA 0.10 0.19 0.67 -0.75 4.63 4.83 2b30C1 ASP 187 HB2 0.10 0.09 0.12 -0.04 2.71 2.97 2b30C1 ASP 187 HB3 0.06 -0.02 0.11 -0.04 2.70 2.81 2b30C1 PRO 188 HA -0.01 0.10 0.42 -0.51 4.44 4.44 2b30C1 PRO 188 HB2 0.00 0.05 0.05 -0.04 2.28 2.34 2b30C1 PRO 188 HB3 -0.01 0.11 0.18 -0.04 2.02 2.26 2b30C1 PRO 188 HG2 0.03 0.02 0.11 -0.04 2.03 2.15 2b30C1 PRO 188 HG3 0.04 0.08 0.12 -0.04 2.03 2.23 2b30C1 PRO 188 HD2 0.07 0.07 0.26 -0.04 3.68 4.04 2b30C1 PRO 188 HD3 0.07 0.21 0.25 -0.04 3.65 4.14 2b30C1 SER 189 H 0.03 0.09 -0.36 -0.55 8.46 7.67 2b30C1 SER 189 HA 0.01 0.17 0.66 -0.75 4.49 4.58 2b30C1 SER 189 HB2 0.02 -0.01 0.01 -0.04 3.95 3.94 2b30C1 SER 189 HB3 0.02 0.05 0.15 -0.04 3.93 4.11 2b30C1 GLU 190 H 0.02 0.54 -0.24 -0.55 8.60 8.38 2b30C1 GLU 190 HA 0.02 0.21 0.79 -0.75 4.29 4.55 2b30C1 GLU 190 HB2 0.03 -0.00 0.12 -0.04 2.09 2.19 2b30C1 GLU 190 HB3 0.03 0.05 -0.04 -0.04 1.99 1.99 2b30C1 GLU 190 HG2 0.04 0.08 0.14 -0.04 2.34 2.56 2b30C1 GLU 190 HG3 0.04 0.02 -0.11 -0.04 2.34 2.24 2b30C1 SER 191 H 0.01 0.30 0.04 -0.55 8.46 8.26 2b30C1 SER 191 HA 0.02 0.05 0.34 -0.75 4.49 4.14 2b30C1 SER 191 HB2 -0.01 0.10 0.21 -0.04 3.95 4.20 2b30C1 SER 191 HB3 -0.01 -0.02 0.01 -0.04 3.93 3.87 2b30C1 LYS 192 H 0.01 0.19 -0.16 -0.55 8.42 7.90 2b30C1 LYS 192 HA 0.01 0.05 0.24 -0.75 4.32 3.86 2b30C1 LYS 192 HB2 0.01 0.01 0.07 -0.04 1.87 1.92 2b30C1 LYS 192 HB3 0.01 0.05 -0.02 -0.04 1.79 1.78 2b30C1 LYS 192 HG2 -0.00 -0.00 0.04 -0.04 1.46 1.46 2b30C1 LYS 192 HG3 -0.01 -0.00 0.06 -0.04 1.46 1.47 2b30C1 LYS 192 HD2 -0.00 0.02 0.01 -0.04 1.69 1.68 2b30C1 LYS 192 HD3 -0.00 0.02 0.00 -0.04 1.68 1.66 2b30C1 LYS 192 HE2 -0.01 -0.02 0.02 -0.04 2.99 2.94 2b30C1 LYS 192 HE3 -0.01 0.01 0.03 -0.04 2.99 2.97 2b30C1 THR 193 H 0.02 0.15 -0.26 -0.55 8.28 7.64 2b30C1 THR 193 HA 0.02 0.09 0.42 -0.75 4.39 4.17 2b30C1 THR 193 HB 0.02 0.07 0.10 -0.04 4.32 4.47 2b30C1 THR 193 HG23 0.03 0.01 -0.08 -0.04 1.22 1.13 2b30C1 VAL 194 H 0.04 0.69 0.02 -0.55 8.24 8.44 2b30C1 VAL 194 HA 0.08 0.07 0.43 -0.75 4.13 3.95 2b30C1 VAL 194 HB 0.05 0.06 0.04 -0.04 2.12 2.22 2b30C1 VAL 194 HG13 0.08 -0.01 -0.19 -0.04 0.97 0.81 2b30C1 VAL 194 HG23 0.04 0.01 0.02 -0.04 0.95 0.98 2b30C1 ILE 195 H 0.04 0.70 -0.07 -0.55 8.25 8.37 2b30C1 ILE 195 HA 0.04 0.00 0.40 -0.75 4.18 3.87 2b30C1 ILE 195 HB 0.02 0.11 0.06 -0.04 1.89 2.05 2b30C1 ILE 195 HG12 0.04 -0.08 -0.06 -0.04 1.49 1.34 2b30C1 ILE 195 HG13 0.04 0.04 0.05 -0.04 1.21 1.29 2b30C1 ILE 195 HG23 0.02 -0.02 -0.17 -0.04 0.93 0.72 2b30C1 ILE 195 HD13 0.03 -0.01 -0.14 -0.04 0.88 0.72 2b30C1 GLY 196 H 0.03 0.51 -0.14 -0.55 8.43 8.28 2b30C1 GLY 196 HA2 0.02 -0.02 0.44 -0.51 4.01 3.94 2b30C1 GLY 196 HA3 0.02 0.12 0.33 -0.51 4.01 3.97 2b30C1 ASN 197 H 0.06 0.55 -0.25 -0.55 8.53 8.34 2b30C1 ASN 197 HA 0.05 0.03 0.46 -0.75 4.76 4.56 2b30C1 ASN 197 HB2 0.14 0.10 0.17 -0.04 2.88 3.25 2b30C1 ASN 197 HB3 0.21 -0.04 -0.02 -0.04 2.79 2.91 2b30C1 ASN 197 HD21 0.04 -0.02 -0.01 -0.04 7.03 7.00 2b30C1 ASN 197 HD22 0.06 -0.02 0.02 -0.04 7.74 7.76 2b30C1 LEU 198 H 0.09 0.59 -0.08 -0.55 8.37 8.43 2b30C1 LEU 198 HA -0.14 0.02 0.47 -0.75 4.35 3.96 2b30C1 LEU 198 HB2 0.13 0.06 0.08 -0.04 1.64 1.88 2b30C1 LEU 198 HB3 0.05 0.06 0.14 -0.04 1.64 1.84 2b30C1 LEU 198 HG -0.00 -0.01 -0.22 -0.04 1.64 1.37 2b30C1 LEU 198 HD13 -0.05 -0.01 -0.05 -0.04 0.93 0.78 2b30C1 LEU 198 HD23 -0.00 -0.02 -0.11 -0.04 0.89 0.71 2b30C1 LYS 199 H 0.02 0.72 -0.13 -0.55 8.42 8.47 2b30C1 LYS 199 HA 0.01 -0.01 0.33 -0.75 4.32 3.89 2b30C1 LYS 199 HB2 0.00 0.14 0.16 -0.04 1.87 2.13 2b30C1 LYS 199 HB3 -0.01 -0.05 -0.05 -0.04 1.79 1.65 2b30C1 LYS 199 HG2 -0.02 -0.06 0.02 -0.04 1.46 1.36 2b30C1 LYS 199 HG3 0.00 0.09 -0.01 -0.04 1.46 1.50 2b30C1 LYS 199 HD2 0.00 -0.02 -0.09 -0.04 1.69 1.55 2b30C1 LYS 199 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.61 2b30C1 LYS 199 HE2 -0.03 0.08 0.03 -0.04 2.99 3.03 2b30C1 LYS 199 HE3 0.00 -0.07 -0.07 -0.04 2.99 2.81 2b30C1 GLN 200 H -0.01 0.46 -0.16 -0.55 8.47 8.21 2b30C1 GLN 200 HA -0.03 0.04 0.55 -0.75 4.36 4.16 2b30C1 GLN 200 HB2 -0.03 -0.03 0.08 -0.04 2.15 2.13 2b30C1 GLN 200 HB3 -0.01 -0.02 0.10 -0.04 2.02 2.05 2b30C1 GLN 200 HG2 0.00 0.12 0.20 -0.04 2.40 2.68 2b30C1 GLN 200 HG3 -0.02 0.03 -0.12 -0.04 2.39 2.23 2b30C1 GLN 200 HE21 0.01 -0.06 -0.07 -0.04 6.97 6.81 2b30C1 GLN 200 HE22 0.02 0.14 -0.25 -0.04 7.69 7.55 2b30C1 LYS 201 H -0.11 0.31 -0.39 -0.55 8.42 7.67 2b30C1 LYS 201 HA -0.26 0.07 0.64 -0.75 4.32 4.01 2b30C1 LYS 201 HB2 -0.29 0.02 0.10 -0.04 1.87 1.66 2b30C1 LYS 201 HB3 -0.48 0.05 0.18 -0.04 1.79 1.50 2b30C1 LYS 201 HG2 -1.13 -0.06 -0.05 -0.04 1.46 0.18 2b30C1 LYS 201 HG3 -1.69 -0.00 -0.30 -0.04 1.46 -0.57 2b30C1 LYS 201 HD2 -0.34 0.03 0.08 -0.04 1.69 1.41 2b30C1 LYS 201 HD3 -0.11 -0.01 0.01 -0.04 1.68 1.53 2b30C1 LYS 201 HE2 -0.30 -0.01 -0.04 -0.04 2.99 2.59 2b30C1 LYS 201 HE3 -0.33 -0.01 -0.01 -0.04 2.99 2.59 2b30C1 PHE 202 H -0.01 0.61 -0.08 -0.55 8.34 8.29 2b30C1 PHE 202 HA -0.09 0.21 0.76 -0.75 4.62 4.74 2b30C1 PHE 202 HB2 -0.13 0.08 0.05 -0.04 3.15 3.11 2b30C1 PHE 202 HB3 -0.08 -0.15 0.07 -0.04 3.06 2.86 2b30C1 PHE 202 HD2 -0.21 0.07 -0.04 -0.04 7.28 7.06 2b30C1 PHE 202 HE2 -0.41 -0.03 -0.12 -0.04 7.38 6.79 2b30C1 PHE 202 HZ -0.05 0.11 -0.28 -0.04 7.32 7.06 2b30C1 LYS 203 H -0.06 0.21 -0.55 -0.55 8.42 7.46 2b30C1 LYS 203 HA -0.01 -0.02 0.61 -0.75 4.32 4.15 2b30C1 LYS 203 HB2 -0.04 0.13 0.18 -0.04 1.87 2.10 2b30C1 LYS 203 HB3 -0.03 -0.01 0.02 -0.04 1.79 1.73 2b30C1 LYS 203 HG2 -0.02 -0.10 0.04 -0.04 1.46 1.34 2b30C1 LYS 203 HG3 -0.02 0.00 0.03 -0.04 1.46 1.44 2b30C1 LYS 203 HD2 -0.02 0.01 0.01 -0.04 1.69 1.66 2b30C1 LYS 203 HD3 -0.02 0.01 -0.03 -0.04 1.68 1.60 2b30C1 LYS 203 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.89 2b30C1 LYS 203 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 2b30C1 ASN 204 H -0.01 0.11 0.22 -0.55 8.53 8.31 2b30C1 ASN 204 HA -0.00 -0.04 0.33 -0.75 4.76 4.28 2b30C1 ASN 204 HB2 -0.01 0.20 0.07 -0.04 2.88 3.10 2b30C1 ASN 204 HB3 -0.00 -0.03 0.20 -0.04 2.79 2.91 2b30C1 ASN 204 HD21 -0.01 0.00 0.00 -0.04 7.03 6.98 2b30C1 ASN 204 HD22 -0.01 -0.01 0.04 -0.04 7.74 7.72 2b30C1 LYS 205 H 0.04 0.28 -0.28 -0.55 8.42 7.91 2b30C1 LYS 205 HA 0.04 0.11 0.73 -0.75 4.32 4.46 2b30C1 LYS 205 HB2 0.15 0.05 -0.12 -0.04 1.87 1.91 2b30C1 LYS 205 HB3 0.15 -0.12 0.03 -0.04 1.79 1.81 2b30C1 LYS 205 HG2 0.05 -0.08 0.03 -0.04 1.46 1.41 2b30C1 LYS 205 HG3 0.02 0.15 -0.51 -0.04 1.46 1.09 2b30C1 LYS 205 HD2 -0.02 0.01 -0.05 -0.04 1.69 1.60 2b30C1 LYS 205 HD3 -0.03 0.10 -0.05 -0.04 1.68 1.66 2b30C1 LYS 205 HE2 0.14 -0.06 -0.01 -0.04 2.99 3.02 2b30C1 LYS 205 HE3 0.05 -0.07 -0.00 -0.04 2.99 2.92 2b30C1 LEU 206 H 0.03 0.31 0.24 -0.55 8.37 8.41 2b30C1 LEU 206 HA -0.00 0.03 0.73 -0.75 4.35 4.36 2b30C1 LEU 206 HB2 -0.03 0.04 -0.02 -0.04 1.64 1.59 2b30C1 LEU 206 HB3 -0.09 0.09 -0.07 -0.04 1.64 1.54 2b30C1 LEU 206 HG -0.00 -0.00 -0.51 -0.04 1.64 1.09 2b30C1 LEU 206 HD13 -0.54 -0.01 -0.12 -0.04 0.93 0.23 2b30C1 LEU 206 HD23 -0.04 -0.02 -0.04 -0.04 0.89 0.74 2b30C1 THR 207 H -0.04 0.41 -0.06 -0.55 8.28 8.04 2b30C1 THR 207 HA -0.19 0.04 0.80 -0.75 4.39 4.29 2b30C1 THR 207 HB -0.08 -0.04 0.07 -0.04 4.32 4.23 2b30C1 THR 207 HG23 -0.50 0.01 -0.06 -0.04 1.22 0.63 2b30C1 ILE 208 H -0.28 0.20 0.12 -0.55 8.25 7.75 2b30C1 ILE 208 HA -0.14 0.31 1.04 -0.75 4.18 4.64 2b30C1 ILE 208 HB -0.09 -0.01 0.10 -0.04 1.89 1.86 2b30C1 ILE 208 HG12 -0.06 -0.02 -0.18 -0.04 1.49 1.18 2b30C1 ILE 208 HG13 -0.10 0.05 -0.47 -0.04 1.21 0.66 2b30C1 ILE 208 HG23 -0.03 -0.02 -0.22 -0.04 0.93 0.62 2b30C1 ILE 208 HD13 -0.03 0.05 -0.14 -0.04 0.88 0.72 2b30C1 PHE 209 H -0.01 0.64 0.27 -0.55 8.34 8.69 2b30C1 PHE 209 HA 0.01 0.17 0.92 -0.75 4.62 4.97 2b30C1 PHE 209 HB2 0.01 -0.00 0.09 -0.04 3.15 3.20 2b30C1 PHE 209 HB3 0.01 -0.08 0.03 -0.04 3.06 2.98 2b30C1 PHE 209 HD2 0.01 0.02 -0.04 -0.04 7.28 7.23 2b30C1 PHE 209 HE2 0.01 0.09 -0.01 -0.04 7.38 7.42 2b30C1 PHE 209 HZ 0.03 0.00 0.03 -0.04 7.32 7.34 2b30C1 THR 210 H 0.19 0.14 0.20 -0.55 8.28 8.27 2b30C1 THR 210 HA 0.08 0.34 0.98 -0.75 4.39 5.04 2b30C1 THR 210 HB 0.06 -0.08 0.14 -0.04 4.32 4.40 2b30C1 THR 210 HG23 0.01 0.08 -0.05 -0.04 1.22 1.22 2b30C1 THR 211 H 0.08 0.61 0.17 -0.55 8.28 8.58 2b30C1 THR 211 HA 0.08 0.05 0.55 -0.75 4.39 4.33 2b30C1 THR 211 HB 0.14 -0.20 0.04 -0.04 4.32 4.25 2b30C1 THR 211 HG23 0.14 -0.03 0.08 -0.04 1.22 1.37 2b30C1 TYR 212 H 0.20 0.10 0.16 -0.55 8.29 8.21 2b30C1 TYR 212 HA 0.01 0.13 0.51 -0.75 4.56 4.46 2b30C1 TYR 212 HB2 0.03 -0.02 0.14 -0.04 3.06 3.17 2b30C1 TYR 212 HB3 0.07 -0.07 0.14 -0.04 2.98 3.08 2b30C1 TYR 212 HD2 0.02 -0.04 -0.10 -0.04 7.15 6.99 2b30C1 TYR 212 HE2 0.01 0.07 -0.00 -0.04 6.85 6.88 2b30C1 ASN 213 H 0.21 -0.01 -0.09 -0.55 8.53 8.09 2b30C1 ASN 213 HA -0.05 0.24 0.60 -0.75 4.76 4.81 2b30C1 ASN 213 HB2 0.07 -0.11 0.05 -0.04 2.88 2.85 2b30C1 ASN 213 HB3 -0.09 0.08 0.12 -0.04 2.79 2.86 2b30C1 ASN 213 HD21 0.19 0.03 0.02 -0.04 7.03 7.22 2b30C1 ASN 213 HD22 0.18 0.03 0.04 -0.04 7.74 7.95 2b30C1 GLY 214 H -0.09 0.12 -0.52 -0.55 8.43 7.39 2b30C1 GLY 214 HA2 -0.07 0.08 0.24 -0.51 4.01 3.75 2b30C1 GLY 214 HA3 -0.14 0.16 0.64 -0.51 4.01 4.16 2b30C1 HIS 215 H -0.16 -0.16 -0.04 -0.55 8.41 7.50 2b30C1 HIS 215 HA -0.00 0.21 0.68 -0.75 4.63 4.76 2b30C1 HIS 215 HB2 0.07 -0.15 -0.02 -0.04 3.26 3.12 2b30C1 HIS 215 HB3 -0.00 0.15 0.05 -0.04 3.20 3.36 2b30C1 HIS 215 HD2 0.28 -0.09 -0.05 -0.04 6.97 7.06 2b30C1 HIS 215 HE1 -0.06 0.19 -0.02 -0.04 7.75 7.81 2b30C1 ALA 216 H 0.09 0.53 0.32 -0.55 8.40 8.80 2b30C1 ALA 216 HA 0.07 0.30 1.13 -0.75 4.34 5.09 2b30C1 ALA 216 HB3 0.03 0.02 0.03 -0.04 1.41 1.44 2b30C1 GLU 217 H 0.09 0.64 0.25 -0.55 8.60 9.04 2b30C1 GLU 217 HA 0.04 0.21 0.98 -0.75 4.29 4.77 2b30C1 GLU 217 HB2 0.18 -0.08 0.10 -0.04 2.09 2.26 2b30C1 GLU 217 HB3 0.12 0.05 -0.06 -0.04 1.99 2.07 2b30C1 GLU 217 HG2 0.02 0.08 -0.07 -0.04 2.34 2.33 2b30C1 GLU 217 HG3 0.07 -0.07 -0.21 -0.04 2.34 2.09 2b30C1 VAL 218 H -0.00 0.70 0.37 -0.55 8.24 8.75 2b30C1 VAL 218 HA -0.06 0.36 1.03 -0.75 4.13 4.71 2b30C1 VAL 218 HB -0.07 -0.11 0.20 -0.04 2.12 2.09 2b30C1 VAL 218 HG13 -0.14 0.02 -0.12 -0.04 0.97 0.68 2b30C1 VAL 218 HG23 -0.07 0.01 -0.19 -0.04 0.95 0.66 2b30C1 THR 219 H -0.05 0.71 0.39 -0.55 8.28 8.79 2b30C1 THR 219 HA -0.00 0.26 0.96 -0.75 4.39 4.85 2b30C1 THR 219 HB 0.01 0.03 0.15 -0.04 4.32 4.47 2b30C1 THR 219 HG23 0.03 0.00 -0.22 -0.04 1.22 0.99 2b30C1 LYS 220 H -0.01 0.24 0.14 -0.55 8.42 8.24 2b30C1 LYS 220 HA 0.03 -0.01 0.51 -0.75 4.32 4.11 2b30C1 LYS 220 HB2 -0.03 0.02 -0.18 -0.04 1.87 1.64 2b30C1 LYS 220 HB3 -0.03 0.01 -0.05 -0.04 1.79 1.68 2b30C1 LYS 220 HG2 0.18 0.21 -0.10 -0.04 1.46 1.71 2b30C1 LYS 220 HG3 0.06 -0.16 0.13 -0.04 1.46 1.45 2b30C1 LYS 220 HD2 -0.03 0.25 -0.03 -0.04 1.69 1.83 2b30C1 LYS 220 HD3 0.07 -0.01 -0.07 -0.04 1.68 1.62 2b30C1 LYS 220 HE2 0.12 0.04 0.03 -0.04 2.99 3.14 2b30C1 LYS 220 HE3 0.05 -0.10 0.09 -0.04 2.99 2.99 2b30C1 LEU 221 H 0.06 0.18 0.18 -0.55 8.37 8.24 2b30C1 LEU 221 HA 0.02 -0.07 0.33 -0.75 4.35 3.88 2b30C1 LEU 221 HB2 0.03 0.06 -0.36 -0.04 1.64 1.33 2b30C1 LEU 221 HB3 0.04 0.02 0.02 -0.04 1.64 1.68 2b30C1 LEU 221 HG 0.00 0.03 -0.29 -0.04 1.64 1.34 2b30C1 LEU 221 HD13 -0.01 -0.05 -0.19 -0.04 0.93 0.64 2b30C1 LEU 221 HD23 0.02 0.03 -0.18 -0.04 0.89 0.71 2b30C1 GLY 222 H 0.00 0.09 0.14 -0.55 8.43 8.11 2b30C1 GLY 222 HA2 -0.04 -0.01 0.26 -0.51 4.01 3.71 2b30C1 GLY 222 HA3 -0.11 0.14 0.40 -0.51 4.01 3.92 2b30C1 HIS 223 H 0.10 0.20 -0.04 -0.55 8.41 8.12 2b30C1 HIS 223 HA 0.07 0.11 0.88 -0.75 4.63 4.94 2b30C1 HIS 223 HB2 0.03 0.13 -0.06 -0.04 3.26 3.32 2b30C1 HIS 223 HB3 0.04 0.03 -0.12 -0.04 3.20 3.11 2b30C1 HIS 223 HD2 0.03 0.01 -0.07 -0.04 6.97 6.90 2b30C1 HIS 223 HE1 0.02 -0.02 -0.07 -0.04 7.75 7.63 2b30C1 ASP 224 H 0.17 0.18 0.18 -0.55 8.40 8.38 2b30C1 ASP 224 HA 0.24 0.37 0.22 -0.75 4.63 4.71 2b30C1 ASP 224 HB2 0.27 -0.07 0.21 -0.04 2.71 3.08 2b30C1 ASP 224 HB3 0.34 0.22 0.05 -0.04 2.70 3.27 2b30C1 LYS 225 H 0.07 0.21 0.01 -0.55 8.42 8.16 2b30C1 LYS 225 HA 0.06 0.04 0.11 -0.75 4.32 3.78 2b30C1 LYS 225 HB2 0.07 -0.01 0.04 -0.04 1.87 1.92 2b30C1 LYS 225 HB3 0.06 0.07 -0.08 -0.04 1.79 1.79 2b30C1 LYS 225 HG2 -0.01 -0.08 -0.20 -0.04 1.46 1.13 2b30C1 LYS 225 HG3 -0.05 0.04 0.01 -0.04 1.46 1.42 2b30C1 LYS 225 HD2 -0.03 0.06 -0.04 -0.04 1.69 1.64 2b30C1 LYS 225 HD3 -0.00 0.06 -0.26 -0.04 1.68 1.43 2b30C1 LYS 225 HE2 -0.05 -0.19 -0.28 -0.04 2.99 2.43 2b30C1 LYS 225 HE3 -0.13 0.00 -0.20 -0.04 2.99 2.62 2b30C1 TYR 226 H 0.24 0.02 -0.34 -0.55 8.29 7.65 2b30C1 TYR 226 HA 0.15 0.13 0.24 -0.75 4.56 4.33 2b30C1 TYR 226 HB2 0.07 -0.11 -0.24 -0.04 3.06 2.74 2b30C1 TYR 226 HB3 0.06 -0.04 -0.09 -0.04 2.98 2.86 2b30C1 TYR 226 HD2 0.09 -0.05 -0.13 -0.04 7.15 7.03 2b30C1 TYR 226 HE2 -0.28 0.05 -0.10 -0.04 6.85 6.48 2b30C1 THR 227 H 0.11 0.04 -0.18 -0.55 8.28 7.70 2b30C1 THR 227 HA -0.19 0.11 0.42 -0.75 4.39 3.98 2b30C1 THR 227 HB 0.06 0.09 0.06 -0.04 4.32 4.48 2b30C1 THR 227 HG23 0.01 0.05 0.02 -0.04 1.22 1.26 2b30C1 GLY 228 H 0.10 0.34 -0.13 -0.55 8.43 8.19 2b30C1 GLY 228 HA2 0.11 0.10 0.47 -0.51 4.01 4.18 2b30C1 GLY 228 HA3 0.06 -0.04 0.28 -0.51 4.01 3.80 2b30C1 ILE 229 H 0.09 0.68 -0.07 -0.55 8.25 8.40 2b30C1 ILE 229 HA 0.10 -0.01 0.35 -0.75 4.18 3.86 2b30C1 ILE 229 HB 0.21 0.09 0.11 -0.04 1.89 2.25 2b30C1 ILE 229 HG12 0.07 0.01 -0.09 -0.04 1.49 1.44 2b30C1 ILE 229 HG13 0.09 -0.03 -0.03 -0.04 1.21 1.20 2b30C1 ILE 229 HG23 0.23 0.01 -0.22 -0.04 0.93 0.91 2b30C1 ILE 229 HD13 0.17 -0.04 -0.21 -0.04 0.88 0.75 2b30C1 ASN 230 H -0.04 0.46 -0.30 -0.55 8.53 8.10 2b30C1 ASN 230 HA 0.02 0.00 0.32 -0.75 4.76 4.36 2b30C1 ASN 230 HB2 -0.15 0.17 0.17 -0.04 2.88 3.03 2b30C1 ASN 230 HB3 -0.15 -0.03 -0.03 -0.04 2.79 2.54 2b30C1 ASN 230 HD21 -0.90 -0.03 -0.09 -0.04 7.03 5.97 2b30C1 ASN 230 HD22 -0.48 -0.04 -0.05 -0.04 7.74 7.13 2b30C1 TYR 231 H 0.26 0.40 -0.31 -0.55 8.29 8.09 2b30C1 TYR 231 HA 0.04 0.03 0.51 -0.75 4.56 4.38 2b30C1 TYR 231 HB2 0.03 0.24 0.12 -0.04 3.06 3.41 2b30C1 TYR 231 HB3 0.03 -0.06 -0.13 -0.04 2.98 2.78 2b30C1 TYR 231 HD2 0.02 0.10 0.03 -0.04 7.15 7.26 2b30C1 TYR 231 HE2 0.04 0.00 -0.01 -0.04 6.85 6.84 2b30C1 LEU 232 H 0.20 0.37 -0.19 -0.55 8.37 8.20 2b30C1 LEU 232 HA 0.30 -0.00 0.45 -0.75 4.35 4.34 2b30C1 LEU 232 HB2 0.16 0.18 0.08 -0.04 1.64 2.02 2b30C1 LEU 232 HB3 0.23 -0.01 -0.09 -0.04 1.64 1.73 2b30C1 LEU 232 HG 0.15 0.02 -0.06 -0.04 1.64 1.71 2b30C1 LEU 232 HD13 0.09 -0.01 -0.16 -0.04 0.93 0.80 2b30C1 LEU 232 HD23 0.26 0.04 0.00 -0.04 0.89 1.15 2b30C1 LEU 233 H 0.15 0.41 -0.16 -0.55 8.37 8.22 2b30C1 LEU 233 HA 0.16 0.00 0.40 -0.75 4.35 4.16 2b30C1 LEU 233 HB2 0.10 0.03 0.11 -0.04 1.64 1.84 2b30C1 LEU 233 HB3 0.12 0.26 0.03 -0.04 1.64 2.02 2b30C1 LEU 233 HG 0.17 0.12 -0.15 -0.04 1.64 1.74 2b30C1 LEU 233 HD13 0.34 -0.02 -0.16 -0.04 0.93 1.04 2b30C1 LEU 233 HD23 0.13 -0.02 -0.20 -0.04 0.89 0.76 2b30C1 LYS 234 H 0.06 0.60 -0.05 -0.55 8.42 8.48 2b30C1 LYS 234 HA 0.02 0.02 0.41 -0.75 4.32 4.02 2b30C1 LYS 234 HB2 -0.04 0.07 0.19 -0.04 1.87 2.06 2b30C1 LYS 234 HB3 -0.03 -0.02 -0.00 -0.04 1.79 1.69 2b30C1 LYS 234 HG2 -0.03 -0.04 0.04 -0.04 1.46 1.40 2b30C1 LYS 234 HG3 -0.12 0.01 0.02 -0.04 1.46 1.32 2b30C1 LYS 234 HD2 -0.04 0.00 0.02 -0.04 1.69 1.63 2b30C1 LYS 234 HD3 -0.06 -0.03 -0.00 -0.04 1.68 1.54 2b30C1 LYS 234 HE2 -0.16 -0.01 -0.01 -0.04 2.99 2.76 2b30C1 LYS 234 HE3 -0.08 0.02 -0.01 -0.04 2.99 2.88 2b30C1 HIS 235 H 0.17 0.57 -0.15 -0.55 8.41 8.46 2b30C1 HIS 235 HA -0.08 -0.01 0.33 -0.75 4.63 4.12 2b30C1 HIS 235 HB2 0.02 0.09 0.15 -0.04 3.26 3.49 2b30C1 HIS 235 HB3 -0.05 0.00 0.17 -0.04 3.20 3.27 2b30C1 HIS 235 HD2 -1.33 -0.02 -0.07 -0.04 6.97 5.51 2b30C1 HIS 235 HE1 -0.21 -0.02 -0.01 -0.04 7.75 7.47 2b30C1 TYR 236 H 0.24 0.63 -0.11 -0.55 8.29 8.50 2b30C1 TYR 236 HA -0.03 0.09 0.61 -0.75 4.56 4.48 2b30C1 TYR 236 HB2 0.10 0.14 0.09 -0.04 3.06 3.34 2b30C1 TYR 236 HB3 0.06 -0.01 0.11 -0.04 2.98 3.10 2b30C1 TYR 236 HD2 0.12 0.10 0.06 -0.04 7.15 7.39 2b30C1 TYR 236 HE2 0.14 -0.06 0.06 -0.04 6.85 6.94 2b30C1 ASN 237 H 0.06 0.30 -0.57 -0.55 8.53 7.77 2b30C1 ASN 237 HA 0.05 0.06 0.31 -0.75 4.76 4.42 2b30C1 ASN 237 HB2 0.00 0.03 -0.03 -0.04 2.88 2.84 2b30C1 ASN 237 HB3 0.03 0.07 0.05 -0.04 2.79 2.90 2b30C1 ASN 237 HD21 0.02 -0.07 0.04 -0.04 7.03 6.97 2b30C1 ASN 237 HD22 0.03 0.03 0.10 -0.04 7.74 7.85 2b30C1 ILE 238 H 0.12 0.35 -0.02 -0.55 8.25 8.15 2b30C1 ILE 238 HA 0.08 0.14 0.80 -0.75 4.18 4.44 2b30C1 ILE 238 HB 0.12 -0.09 -0.02 -0.04 1.89 1.85 2b30C1 ILE 238 HG12 0.08 0.05 -0.09 -0.04 1.49 1.49 2b30C1 ILE 238 HG13 0.15 0.10 -0.37 -0.04 1.21 1.04 2b30C1 ILE 238 HG23 0.08 0.03 -0.13 -0.04 0.93 0.87 2b30C1 ILE 238 HD13 0.05 -0.02 -0.12 -0.04 0.88 0.75 2b30C1 SER 239 H 0.09 0.15 0.10 -0.55 8.46 8.25 2b30C1 SER 239 HA 0.10 0.17 0.59 -0.75 4.49 4.60 2b30C1 SER 239 HB2 0.09 -0.10 0.11 -0.04 3.95 4.00 2b30C1 SER 239 HB3 0.07 0.10 0.01 -0.04 3.93 4.07 2b30C1 ASN 240 H 0.14 0.17 0.14 -0.55 8.53 8.43 2b30C1 ASN 240 HA 0.45 0.09 0.42 -0.75 4.76 4.97 2b30C1 ASN 240 HB2 0.10 0.03 0.18 -0.04 2.88 3.15 2b30C1 ASN 240 HB3 0.11 -0.03 0.16 -0.04 2.79 2.99 2b30C1 ASN 240 HD21 -0.29 0.60 0.38 -0.04 7.03 7.67 2b30C1 ASN 240 HD22 -0.16 -0.09 0.10 -0.04 7.74 7.55 2b30C1 ASP 241 H 0.14 0.08 -0.13 -0.55 8.40 7.94 2b30C1 ASP 241 HA 0.22 0.06 0.20 -0.75 4.63 4.36 2b30C1 ASP 241 HB2 0.12 -0.01 0.02 -0.04 2.71 2.80 2b30C1 ASP 241 HB3 0.20 0.09 0.14 -0.04 2.70 3.09 2b30C1 GLN 242 H 0.16 0.30 -0.89 -0.55 8.47 7.49 2b30C1 GLN 242 HA 0.10 0.35 0.79 -0.75 4.36 4.85 2b30C1 GLN 242 HB2 0.09 0.07 0.08 -0.04 2.15 2.35 2b30C1 GLN 242 HB3 0.07 -0.11 0.29 -0.04 2.02 2.22 2b30C1 GLN 242 HG2 0.07 0.28 0.04 -0.04 2.40 2.75 2b30C1 GLN 242 HG3 0.10 -0.19 -0.15 -0.04 2.39 2.10 2b30C1 GLN 242 HE21 0.04 0.02 0.04 -0.04 6.97 7.02 2b30C1 GLN 242 HE22 0.04 0.07 0.03 -0.04 7.69 7.79 2b30C1 VAL 243 H 0.17 0.49 0.06 -0.55 8.24 8.41 2b30C1 VAL 243 HA -0.01 0.21 1.04 -0.75 4.13 4.62 2b30C1 VAL 243 HB -0.23 0.03 0.15 -0.04 2.12 2.03 2b30C1 VAL 243 HG13 -0.55 -0.03 -0.28 -0.04 0.97 0.07 2b30C1 VAL 243 HG23 0.01 0.01 -0.15 -0.04 0.95 0.78 2b30C1 LEU 244 H -0.02 0.56 0.34 -0.55 8.37 8.70 2b30C1 LEU 244 HA 0.14 0.35 0.95 -0.75 4.35 5.04 2b30C1 LEU 244 HB2 -0.03 0.02 0.03 -0.04 1.64 1.62 2b30C1 LEU 244 HB3 -0.06 -0.12 0.15 -0.04 1.64 1.58 2b30C1 LEU 244 HG 0.11 0.08 -0.14 -0.04 1.64 1.65 2b30C1 LEU 244 HD13 0.00 0.02 -0.05 -0.04 0.93 0.86 2b30C1 LEU 244 HD23 -0.17 -0.04 -0.17 -0.04 0.89 0.46 2b30C1 VAL 245 H 0.12 0.67 0.31 -0.55 8.24 8.79 2b30C1 VAL 245 HA -0.01 0.28 1.03 -0.75 4.13 4.67 2b30C1 VAL 245 HB -0.22 0.02 -0.16 -0.04 2.12 1.71 2b30C1 VAL 245 HG13 0.11 0.05 -0.11 -0.04 0.97 0.98 2b30C1 VAL 245 HG23 0.04 -0.04 -0.12 -0.04 0.95 0.78 2b30C1 VAL 246 H 0.04 0.44 0.28 -0.55 8.24 8.46 2b30C1 VAL 246 HA 0.13 0.38 0.93 -0.75 4.13 4.82 2b30C1 VAL 246 HB 0.08 0.11 -0.21 -0.04 2.12 2.06 2b30C1 VAL 246 HG13 0.01 0.00 0.02 -0.04 0.97 0.96 2b30C1 VAL 246 HG23 0.07 -0.02 -0.13 -0.04 0.95 0.83 2b30C1 GLY 247 H 0.07 0.62 0.33 -0.55 8.43 8.90 2b30C1 GLY 247 HA2 0.03 0.06 0.58 -0.51 4.01 4.17 2b30C1 GLY 247 HA3 0.03 -0.06 0.36 -0.51 4.01 3.83 2b30C1 ASP 248 H 0.00 -0.11 0.20 -0.55 8.40 7.94 2b30C1 ASP 248 HA 0.01 0.24 1.05 -0.75 4.63 5.18 2b30C1 ASP 248 HB2 -0.04 0.05 0.02 -0.04 2.71 2.70 2b30C1 ASP 248 HB3 -0.02 0.08 -0.38 -0.04 2.70 2.33 2b30C1 ALA 249 H -0.01 -0.03 0.19 -0.55 8.40 8.00 2b30C1 ALA 249 HA 0.02 0.26 1.00 -0.75 4.34 4.87 2b30C1 ALA 249 HB3 0.03 0.01 0.06 -0.04 1.41 1.47 2b30C1 GLU 250 H -0.00 0.27 0.21 -0.55 8.60 8.53 2b30C1 GLU 250 HA -0.01 0.12 0.30 -0.75 4.29 3.94 2b30C1 GLU 250 HB2 0.05 0.09 0.24 -0.04 2.09 2.42 2b30C1 GLU 250 HB3 0.06 -0.01 0.23 -0.04 1.99 2.23 2b30C1 GLU 250 HG2 0.25 0.00 0.01 -0.04 2.34 2.56 2b30C1 GLU 250 HG3 0.08 0.03 0.10 -0.04 2.34 2.51 2b30C1 ASN 251 H -0.25 0.09 -0.06 -0.55 8.53 7.76 2b30C1 ASN 251 HA -1.08 0.18 0.48 -0.75 4.76 3.58 2b30C1 ASN 251 HB2 -0.83 0.01 0.14 -0.04 2.88 2.16 2b30C1 ASN 251 HB3 -1.21 0.06 0.08 -0.04 2.79 1.67 2b30C1 ASN 251 HD21 -0.10 -0.08 0.00 -0.04 7.03 6.81 2b30C1 ASN 251 HD22 -0.19 0.05 -0.02 -0.04 7.74 7.54 2b30C1 ASP 252 H -0.13 0.48 -0.57 -0.55 8.40 7.64 2b30C1 ASP 252 HA -0.05 0.14 0.83 -0.75 4.63 4.80 2b30C1 ASP 252 HB2 -0.03 0.17 0.02 -0.04 2.71 2.84 2b30C1 ASP 252 HB3 -0.00 0.10 0.02 -0.04 2.70 2.78 2b30C1 ILE 253 H -0.09 0.48 -0.02 -0.55 8.25 8.06 2b30C1 ILE 253 HA -0.09 0.10 0.05 -0.75 4.18 3.49 2b30C1 ILE 253 HB -0.10 0.02 0.14 -0.04 1.89 1.91 2b30C1 ILE 253 HG12 -0.11 0.03 -0.19 -0.04 1.49 1.18 2b30C1 ILE 253 HG13 -0.07 -0.02 0.04 -0.04 1.21 1.12 2b30C1 ILE 253 HG23 -0.53 0.03 -0.18 -0.04 0.93 0.21 2b30C1 ILE 253 HD13 -0.04 -0.00 0.02 -0.04 0.88 0.81 2b30C1 ALA 254 H -0.03 0.06 -0.15 -0.55 8.40 7.73 2b30C1 ALA 254 HA -0.13 0.18 0.37 -0.75 4.34 4.01 2b30C1 ALA 254 HB3 0.03 -0.01 -0.00 -0.04 1.41 1.38 2b30C1 MET 255 H 0.03 -0.01 -0.35 -0.55 8.47 7.59 2b30C1 MET 255 HA 0.05 0.13 0.40 -0.75 4.52 4.35 2b30C1 MET 255 HB2 0.35 0.09 -0.06 -0.04 2.15 2.49 2b30C1 MET 255 HB3 0.22 -0.20 -0.10 -0.04 2.03 1.92 2b30C1 MET 255 HG2 0.06 0.01 -0.01 -0.04 2.63 2.64 2b30C1 MET 255 HG3 0.10 0.10 -0.33 -0.04 2.56 2.39 2b30C1 MET 255 HE3 0.03 0.00 -0.13 -0.04 2.10 1.96 2b30C1 LEU 256 H 0.00 0.34 -0.28 -0.55 8.37 7.88 2b30C1 LEU 256 HA 0.08 0.07 0.51 -0.75 4.35 4.25 2b30C1 LEU 256 HB2 0.02 0.00 -0.11 -0.04 1.64 1.51 2b30C1 LEU 256 HB3 0.03 0.06 -0.24 -0.04 1.64 1.45 2b30C1 LEU 256 HG 0.04 -0.01 -0.17 -0.04 1.64 1.45 2b30C1 LEU 256 HD13 0.02 -0.04 -0.30 -0.04 0.93 0.57 2b30C1 LEU 256 HD23 0.05 -0.02 -0.25 -0.04 0.89 0.63 2b30C1 SER 257 H -0.06 0.36 -0.16 -0.55 8.46 8.05 2b30C1 SER 257 HA 0.01 0.41 0.49 -0.75 4.49 4.65 2b30C1 SER 257 HB2 -0.11 -0.04 0.05 -0.04 3.95 3.81 2b30C1 SER 257 HB3 0.01 -0.02 0.03 -0.04 3.93 3.92 2b30C1 ASN 258 H -0.23 0.12 -0.37 -0.55 8.53 7.51 2b30C1 ASN 258 HA -0.27 0.17 0.53 -0.75 4.76 4.44 2b30C1 ASN 258 HB2 -1.01 0.01 0.01 -0.04 2.88 1.84 2b30C1 ASN 258 HB3 -0.71 -0.06 0.05 -0.04 2.79 2.03 2b30C1 ASN 258 HD21 -0.44 -0.12 -0.04 -0.04 7.03 6.39 2b30C1 ASN 258 HD22 -1.19 0.06 -0.05 -0.04 7.74 6.51 2b30C1 PHE 259 H -0.00 0.25 -0.28 -0.55 8.34 7.75 2b30C1 PHE 259 HA -0.02 0.12 0.86 -0.75 4.62 4.83 2b30C1 PHE 259 HB2 0.00 0.06 -0.04 -0.04 3.15 3.14 2b30C1 PHE 259 HB3 0.03 0.01 -0.07 -0.04 3.06 2.99 2b30C1 PHE 259 HD2 0.06 0.20 0.05 -0.04 7.28 7.54 2b30C1 PHE 259 HE2 0.21 -0.09 -0.08 -0.04 7.38 7.38 2b30C1 PHE 259 HZ 0.20 -0.04 -0.14 -0.04 7.32 7.30 2b30C1 LYS 260 H 0.03 0.10 0.07 -0.55 8.42 8.08 2b30C1 LYS 260 HA -0.15 0.19 0.56 -0.75 4.32 4.17 2b30C1 LYS 260 HB2 -0.34 0.06 0.08 -0.04 1.87 1.63 2b30C1 LYS 260 HB3 -0.18 -0.03 0.03 -0.04 1.79 1.57 2b30C1 LYS 260 HG2 -0.38 -0.10 0.06 -0.04 1.46 1.00 2b30C1 LYS 260 HG3 -1.45 0.13 -0.11 -0.04 1.46 -0.01 2b30C1 LYS 260 HD2 -0.11 -0.08 -0.01 -0.04 1.69 1.45 2b30C1 LYS 260 HD3 -0.14 -0.00 0.01 -0.04 1.68 1.51 2b30C1 LYS 260 HE2 -0.26 0.10 -0.01 -0.04 2.99 2.77 2b30C1 LYS 260 HE3 -0.16 -0.01 0.00 -0.04 2.99 2.78 2b30C1 TYR 261 H -0.01 0.09 -0.04 -0.55 8.29 7.78 2b30C1 TYR 261 HA -0.10 0.26 0.82 -0.75 4.56 4.78 2b30C1 TYR 261 HB2 0.10 0.20 0.29 -0.04 3.06 3.60 2b30C1 TYR 261 HB3 0.23 -0.04 0.14 -0.04 2.98 3.27 2b30C1 TYR 261 HD2 0.09 0.10 -0.01 -0.04 7.15 7.28 2b30C1 TYR 261 HE2 0.06 0.15 -0.01 -0.04 6.85 7.01 2b30C1 SER 262 H -0.25 0.38 -0.29 -0.55 8.46 7.75 2b30C1 SER 262 HA 0.06 0.17 0.85 -0.75 4.49 4.81 2b30C1 SER 262 HB2 0.01 -0.15 0.03 -0.04 3.95 3.80 2b30C1 SER 262 HB3 0.08 -0.00 -0.04 -0.04 3.93 3.92 2b30C1 PHE 263 H 0.17 0.46 0.32 -0.55 8.34 8.74 2b30C1 PHE 263 HA 0.04 0.40 1.06 -0.75 4.62 5.36 2b30C1 PHE 263 HB2 0.02 -0.06 0.09 -0.04 3.15 3.16 2b30C1 PHE 263 HB3 0.03 -0.05 -0.03 -0.04 3.06 2.97 2b30C1 PHE 263 HD2 0.04 0.07 -0.17 -0.04 7.28 7.19 2b30C1 PHE 263 HE2 0.07 0.01 -0.15 -0.04 7.38 7.27 2b30C1 PHE 263 HZ 0.08 0.09 -0.24 -0.04 7.32 7.21 2b30C1 ALA 264 H 0.11 0.50 0.25 -0.55 8.40 8.71 2b30C1 ALA 264 HA 0.07 0.24 1.00 -0.75 4.34 4.89 2b30C1 ALA 264 HB3 0.04 0.02 -0.07 -0.04 1.41 1.36 2b30C1 VAL 265 H 0.04 0.27 0.21 -0.55 8.24 8.21 2b30C1 VAL 265 HA 0.04 0.14 0.61 -0.75 4.13 4.17 2b30C1 VAL 265 HB 0.01 -0.17 0.14 -0.04 2.12 2.05 2b30C1 VAL 265 HG13 0.03 0.03 0.00 -0.04 0.97 0.99 2b30C1 VAL 265 HG23 -0.04 0.09 0.03 -0.04 0.95 0.99 2b30C1 ALA 266 H -0.00 0.41 0.05 -0.55 8.40 8.32 2b30C1 ALA 266 HA 0.00 0.22 0.20 -0.75 4.34 4.01 2b30C1 ALA 266 HB3 -0.01 -0.01 -0.30 -0.04 1.41 1.05 2b30C1 ASN 267 H -0.04 -0.11 -0.31 -0.55 8.53 7.53 2b30C1 ASN 267 HA -0.02 0.20 0.60 -0.75 4.76 4.79 2b30C1 ASN 267 HB2 -0.19 0.03 0.17 -0.04 2.88 2.85 2b30C1 ASN 267 HB3 -0.08 -0.06 0.09 -0.04 2.79 2.71 2b30C1 ASN 267 HD21 -0.68 0.43 0.09 -0.04 7.03 6.83 2b30C1 ASN 267 HD22 -0.67 -0.03 0.03 -0.04 7.74 7.03 2b30C1 ALA 268 H -0.01 0.56 -0.41 -0.55 8.40 8.00 2b30C1 ALA 268 HA -0.00 -0.01 0.54 -0.75 4.34 4.12 2b30C1 ALA 268 HB3 0.02 -0.03 0.17 -0.04 1.41 1.52 2b30C1 THR 269 H 0.03 0.42 0.37 -0.55 8.28 8.56 2b30C1 THR 269 HA 0.03 0.19 0.63 -0.75 4.39 4.48 2b30C1 THR 269 HB 0.03 -0.30 0.02 -0.04 4.32 4.04 2b30C1 THR 269 HG23 0.01 0.01 0.15 -0.04 1.22 1.35 2b30C1 ASP 270 H 0.02 0.17 0.17 -0.55 8.40 8.21 2b30C1 ASP 270 HA 0.02 0.19 0.33 -0.75 4.63 4.41 2b30C1 ASP 270 HB2 0.02 -0.06 0.11 -0.04 2.71 2.73 2b30C1 ASP 270 HB3 0.01 0.08 0.02 -0.04 2.70 2.78 2b30C1 SER 271 H 0.04 -0.01 -0.20 -0.55 8.46 7.75 2b30C1 SER 271 HA 0.12 0.20 0.42 -0.75 4.49 4.47 2b30C1 SER 271 HB2 0.07 0.05 0.04 -0.04 3.95 4.07 2b30C1 SER 271 HB3 0.05 -0.13 0.02 -0.04 3.93 3.84 2b30C1 ALA 272 H 0.05 -0.02 -0.28 -0.55 8.40 7.60 2b30C1 ALA 272 HA 0.05 0.02 0.26 -0.75 4.34 3.92 2b30C1 ALA 272 HB3 0.03 0.02 -0.15 -0.04 1.41 1.26 2b30C1 LYS 273 H 0.04 0.48 -0.36 -0.55 8.42 8.02 2b30C1 LYS 273 HA 0.03 -0.01 0.22 -0.75 4.32 3.81 2b30C1 LYS 273 HB2 0.02 0.04 -0.00 -0.04 1.87 1.89 2b30C1 LYS 273 HB3 0.01 0.02 -0.09 -0.04 1.79 1.70 2b30C1 LYS 273 HG2 0.02 -0.03 -0.10 -0.04 1.46 1.32 2b30C1 LYS 273 HG3 0.02 -0.03 -0.16 -0.04 1.46 1.25 2b30C1 LYS 273 HD2 0.01 -0.07 -0.19 -0.04 1.69 1.40 2b30C1 LYS 273 HD3 0.01 -0.02 -0.08 -0.04 1.68 1.55 2b30C1 LYS 273 HE2 0.01 -0.04 -0.07 -0.04 2.99 2.85 2b30C1 LYS 273 HE3 0.01 0.02 -0.18 -0.04 2.99 2.80 2b30C1 SER 274 H 0.04 0.20 -0.40 -0.55 8.46 7.75 2b30C1 SER 274 HA -0.04 0.09 0.44 -0.75 4.49 4.22 2b30C1 SER 274 HB2 -0.03 -0.02 0.08 -0.04 3.95 3.94 2b30C1 SER 274 HB3 -0.03 -0.02 0.13 -0.04 3.93 3.97 2b30C1 HIS 275 H 0.13 0.27 -0.26 -0.55 8.41 8.00 2b30C1 HIS 275 HA -0.03 0.10 0.41 -0.75 4.63 4.36 2b30C1 HIS 275 HB2 -0.02 -0.01 0.02 -0.04 3.26 3.21 2b30C1 HIS 275 HB3 -0.03 -0.04 -0.11 -0.04 3.20 2.98 2b30C1 HIS 275 HD2 -0.01 0.14 -0.01 -0.04 6.97 7.05 2b30C1 HIS 275 HE1 -0.02 -0.02 -0.05 -0.04 7.75 7.62 2b30C1 ALA 276 H 0.04 0.21 -0.31 -0.55 8.40 7.79 2b30C1 ALA 276 HA -0.02 0.25 0.44 -0.75 4.34 4.25 2b30C1 ALA 276 HB3 -0.01 -0.03 -0.26 -0.04 1.41 1.06 2b30C1 LYS 277 H -0.15 0.17 0.17 -0.55 8.42 8.06 2b30C1 LYS 277 HA -0.10 0.07 0.42 -0.75 4.32 3.96 2b30C1 LYS 277 HB2 -0.17 0.06 0.27 -0.04 1.87 1.99 2b30C1 LYS 277 HB3 -0.31 0.02 0.22 -0.04 1.79 1.68 2b30C1 LYS 277 HG2 -0.09 -0.08 0.01 -0.04 1.46 1.25 2b30C1 LYS 277 HG3 -0.10 -0.06 0.13 -0.04 1.46 1.39 2b30C1 LYS 277 HD2 -0.15 0.10 0.19 -0.04 1.69 1.78 2b30C1 LYS 277 HD3 -0.13 0.01 0.15 -0.04 1.68 1.67 2b30C1 LYS 277 HE2 -0.01 -0.11 0.05 -0.04 2.99 2.88 2b30C1 LYS 277 HE3 -0.04 -0.09 0.05 -0.04 2.99 2.87 2b30C1 CYS 278 H -0.22 0.25 -0.08 -0.55 8.50 7.90 2b30C1 CYS 278 HA -0.01 0.13 0.87 -0.75 4.58 4.82 2b30C1 CYS 278 HB2 -0.08 0.09 -0.28 -0.04 2.97 2.66 2b30C1 CYS 278 HB3 -0.30 -0.01 0.01 -0.04 2.97 2.63 2b30C1 VAL 279 H 0.04 0.21 0.10 -0.55 8.24 8.04 2b30C1 VAL 279 HA 0.08 0.05 0.80 -0.75 4.13 4.30 2b30C1 VAL 279 HB 0.03 -0.02 0.11 -0.04 2.12 2.19 2b30C1 VAL 279 HG13 0.03 0.03 -0.20 -0.04 0.97 0.78 2b30C1 VAL 279 HG23 0.02 -0.01 -0.03 -0.04 0.95 0.89 2b30C1 LEU 280 H 0.12 0.72 0.29 -0.55 8.37 8.95 2b30C1 LEU 280 HA 0.11 0.09 0.35 -0.75 4.35 4.14 2b30C1 LEU 280 HB2 0.03 -0.12 0.21 -0.04 1.64 1.73 2b30C1 LEU 280 HB3 -0.03 -0.12 0.11 -0.04 1.64 1.56 2b30C1 LEU 280 HG 0.18 0.11 -0.07 -0.04 1.64 1.81 2b30C1 LEU 280 HD13 0.05 -0.04 -0.10 -0.04 0.93 0.80 2b30C1 LEU 280 HD23 0.10 0.01 -0.06 -0.04 0.89 0.90 2b30C1 PRO 281 HA -0.05 0.16 0.54 -0.51 4.44 4.58 2b30C1 PRO 281 HB2 -0.13 0.00 0.06 -0.04 2.28 2.17 2b30C1 PRO 281 HB3 -0.05 0.07 0.13 -0.04 2.02 2.12 2b30C1 PRO 281 HG2 -0.55 0.00 -0.00 -0.04 2.03 1.43 2b30C1 PRO 281 HG3 -0.12 0.05 0.07 -0.04 2.03 1.98 2b30C1 PRO 281 HD2 -0.14 0.04 0.21 -0.04 3.68 3.74 2b30C1 PRO 281 HD3 0.04 0.18 0.19 -0.04 3.65 4.02 2b30C1 VAL 282 H -0.16 0.09 -0.38 -0.55 8.24 7.24 2b30C1 VAL 282 HA -0.11 0.18 0.84 -0.75 4.13 4.28 2b30C1 VAL 282 HB -0.45 0.02 -0.17 -0.04 2.12 1.49 2b30C1 VAL 282 HG13 -0.18 0.02 -0.22 -0.04 0.97 0.54 2b30C1 VAL 282 HG23 -0.13 0.02 -0.06 -0.04 0.95 0.74 2b30C1 SER 283 H -0.03 0.20 0.11 -0.55 8.46 8.19 2b30C1 SER 283 HA 0.03 -0.02 0.56 -0.75 4.49 4.30 2b30C1 SER 283 HB2 0.16 -0.03 0.11 -0.04 3.95 4.15 2b30C1 SER 283 HB3 0.03 0.18 0.05 -0.04 3.93 4.14 2b30C1 HIS 284 H 0.27 0.18 0.14 -0.55 8.41 8.46 2b30C1 HIS 284 HA -0.05 0.04 0.41 -0.75 4.63 4.28 2b30C1 HIS 284 HB2 -0.07 0.12 -0.30 -0.04 3.26 2.97 2b30C1 HIS 284 HB3 -0.05 0.18 -0.06 -0.04 3.20 3.23 2b30C1 HIS 284 HD2 -0.10 0.05 -0.11 -0.04 6.97 6.77 2b30C1 HIS 284 HE1 -0.07 0.06 0.02 -0.04 7.75 7.72 2b30C1 ARG 285 H -0.21 0.08 -0.20 -0.55 8.46 7.58 2b30C1 ARG 285 HA -0.34 0.15 0.41 -0.75 4.34 3.80 2b30C1 ARG 285 HB2 -0.26 0.05 0.08 -0.04 1.90 1.73 2b30C1 ARG 285 HB3 -0.58 -0.02 0.04 -0.04 1.80 1.19 2b30C1 ARG 285 HG2 -0.06 -0.10 -0.09 -0.04 1.67 1.39 2b30C1 ARG 285 HG3 -0.10 0.09 -0.46 -0.04 1.67 1.16 2b30C1 ARG 285 HD2 -0.04 0.04 -0.06 -0.04 3.22 3.12 2b30C1 ARG 285 HD3 -0.09 0.04 -0.05 -0.04 3.22 3.08 2b30C1 GLU 286 H -0.05 0.23 -0.57 -0.55 8.60 7.67 2b30C1 GLU 286 HA -0.06 0.20 0.74 -0.75 4.29 4.42 2b30C1 GLU 286 HB2 -0.05 0.00 0.01 -0.04 2.09 2.01 2b30C1 GLU 286 HB3 -0.06 0.07 0.13 -0.04 1.99 2.09 2b30C1 GLU 286 HG2 -0.04 0.09 -0.02 -0.04 2.34 2.33 2b30C1 GLU 286 HG3 -0.04 -0.13 -0.12 -0.04 2.34 2.01 2b30C1 GLY 287 H -0.07 0.25 -0.45 -0.55 8.43 7.61 2b30C1 GLY 287 HA2 -0.03 0.00 0.31 -0.51 4.01 3.78 2b30C1 GLY 287 HA3 -0.02 0.08 0.42 -0.51 4.01 3.98 2b30C1 ALA 288 H -0.01 0.25 0.02 -0.55 8.40 8.12 2b30C1 ALA 288 HA 0.02 0.11 0.32 -0.75 4.34 4.03 2b30C1 ALA 288 HB3 0.02 0.04 -0.20 -0.04 1.41 1.22 2b30C1 VAL 289 H -0.00 0.17 -0.08 -0.55 8.24 7.77 2b30C1 VAL 289 HA -0.05 0.11 0.32 -0.75 4.13 3.76 2b30C1 VAL 289 HB -0.02 -0.06 0.08 -0.04 2.12 2.08 2b30C1 VAL 289 HG13 -0.05 0.03 -0.16 -0.04 0.97 0.75 2b30C1 VAL 289 HG23 0.00 0.04 -0.10 -0.04 0.95 0.85 2b30C1 ALA 290 H -0.02 0.01 -0.28 -0.55 8.40 7.57 2b30C1 ALA 290 HA -0.08 0.08 0.37 -0.75 4.34 3.95 2b30C1 ALA 290 HB3 -0.01 0.03 -0.17 -0.04 1.41 1.22 2b30C1 TYR 291 H 0.08 0.47 -0.24 -0.55 8.29 8.04 2b30C1 TYR 291 HA -0.09 0.04 0.40 -0.75 4.56 4.17 2b30C1 TYR 291 HB2 -0.06 0.05 0.07 -0.04 3.06 3.08 2b30C1 TYR 291 HB3 -0.08 0.08 0.16 -0.04 2.98 3.10 2b30C1 TYR 291 HD2 -0.08 0.02 -0.06 -0.04 7.15 6.99 2b30C1 TYR 291 HE2 -0.06 0.00 -0.04 -0.04 6.85 6.71 2b30C1 LEU 292 H -0.03 0.53 -0.11 -0.55 8.37 8.21 2b30C1 LEU 292 HA -0.50 0.04 0.37 -0.75 4.35 3.50 2b30C1 LEU 292 HB2 -0.15 -0.04 0.03 -0.04 1.64 1.44 2b30C1 LEU 292 HB3 -0.19 0.05 0.07 -0.04 1.64 1.52 2b30C1 LEU 292 HG -0.41 0.02 -0.29 -0.04 1.64 0.93 2b30C1 LEU 292 HD13 -0.91 -0.00 -0.08 -0.04 0.93 -0.10 2b30C1 LEU 292 HD23 -0.32 -0.01 -0.13 -0.04 0.89 0.39 2b30C1 LEU 293 H -0.30 0.64 -0.13 -0.55 8.37 8.04 2b30C1 LEU 293 HA -0.64 0.05 0.40 -0.75 4.35 3.41 2b30C1 LEU 293 HB2 -0.38 0.03 0.11 -0.04 1.64 1.35 2b30C1 LEU 293 HB3 -0.98 0.03 -0.03 -0.04 1.64 0.62 2b30C1 LEU 293 HG -0.25 0.05 -0.03 -0.04 1.64 1.37 2b30C1 LEU 293 HD13 -0.13 -0.01 -0.22 -0.04 0.93 0.53 2b30C1 LEU 293 HD23 -0.38 -0.00 -0.09 -0.04 0.89 0.37 2b30C1 LYS 294 H -0.38 0.52 -0.25 -0.55 8.42 7.76 2b30C1 LYS 294 HA -0.25 0.04 0.44 -0.75 4.32 3.79 2b30C1 LYS 294 HB2 -0.00 -0.04 0.08 -0.04 1.87 1.87 2b30C1 LYS 294 HB3 -0.05 -0.01 0.08 -0.04 1.79 1.77 2b30C1 LYS 294 HG2 -0.19 0.18 0.18 -0.04 1.46 1.60 2b30C1 LYS 294 HG3 -0.20 0.01 -0.13 -0.04 1.46 1.10 2b30C1 LYS 294 HD2 -0.03 -0.02 -0.04 -0.04 1.69 1.56 2b30C1 LYS 294 HD3 -0.02 -0.04 -0.05 -0.04 1.68 1.54 2b30C1 LYS 294 HE2 0.01 -0.05 -0.06 -0.04 2.99 2.85 2b30C1 LYS 294 HE3 -0.04 0.01 -0.03 -0.04 2.99 2.89 2b30C1 LYS 295 H -0.43 0.30 -0.33 -0.55 8.42 7.41 2b30C1 LYS 295 HA -0.21 0.06 0.59 -0.75 4.32 4.01 2b30C1 LYS 295 HB2 -0.42 0.13 0.05 -0.04 1.87 1.59 2b30C1 LYS 295 HB3 -0.26 -0.04 -0.07 -0.04 1.79 1.38 2b30C1 LYS 295 HG2 -0.68 0.18 0.03 -0.04 1.46 0.94 2b30C1 LYS 295 HG3 -0.80 -0.11 -0.07 -0.04 1.46 0.44 2b30C1 LYS 295 HD2 -0.20 -0.10 -0.04 -0.04 1.69 1.31 2b30C1 LYS 295 HD3 -0.21 0.06 -0.01 -0.04 1.68 1.48 2b30C1 LYS 295 HE2 -0.42 0.04 -0.05 -0.04 2.99 2.52 2b30C1 LYS 295 HE3 -0.23 -0.07 -0.03 -0.04 2.99 2.62 2b30C1 VAL 296 H -0.42 0.41 -0.22 -0.55 8.24 7.46 2b30C1 VAL 296 HA -0.17 0.09 0.58 -0.75 4.13 3.88 2b30C1 VAL 296 HB -0.54 0.11 0.16 -0.04 2.12 1.80 2b30C1 VAL 296 HG13 -0.21 -0.02 -0.09 -0.04 0.97 0.62 2b30C1 VAL 296 HG23 -0.31 0.05 -0.04 -0.04 0.95 0.61 2b30C1 PHE 297 H -0.30 0.41 -0.11 -0.55 8.34 7.78 2b30C1 PHE 297 HA 0.05 0.04 0.26 -0.75 4.62 4.22 2b30C1 PHE 297 HB2 -0.07 0.04 0.13 -0.04 3.15 3.21 2b30C1 PHE 297 HB3 -0.00 -0.03 -0.03 -0.04 3.06 2.96 2b30C1 PHE 297 HD2 -0.08 -0.03 -0.07 -0.04 7.28 7.06 2b30C1 PHE 297 HE2 -0.26 -0.04 -0.04 -0.04 7.38 6.99 2b30C1 PHE 297 HZ -0.12 0.14 0.03 -0.04 7.32 7.33 2b30C1 ASP 298 H 0.04 0.35 -0.30 -0.55 8.40 7.95 2b30C1 ASP 298 HA 0.05 0.13 0.61 -0.75 4.63 4.67 2b30C1 ASP 298 HB2 0.01 -0.01 0.15 -0.04 2.71 2.82 2b30C1 ASP 298 HB3 0.03 -0.06 0.02 -0.04 2.70 2.65 2b30C1 LEU 299 H 0.03 0.35 -0.71 -0.55 8.37 7.50 2b30C1 LEU 299 HA -0.00 0.03 0.69 -0.75 4.35 4.31 2b30C1 LEU 299 HB2 0.03 0.09 0.17 -0.04 1.64 1.90 2b30C1 LEU 299 HB3 0.00 -0.05 0.03 -0.04 1.64 1.58 2b30C1 LEU 299 HG -0.05 0.14 0.11 -0.04 1.64 1.79 2b30C1 LEU 299 HD13 -0.07 0.03 0.10 -0.04 0.93 0.95 2b30C1 LEU 299 HD23 -0.03 -0.04 0.02 -0.04 0.89 0.80 2b30C1 LYS 300 H 0.07 0.23 -0.03 -0.55 8.42 8.15 2b30C1 LYS 300 HA 0.02 0.08 0.36 -0.75 4.32 4.02 2b30C1 LYS 300 HB2 0.06 0.15 0.16 -0.04 1.87 2.21 2b30C1 LYS 300 HB3 0.00 -0.04 0.09 -0.04 1.79 1.80 2b30C1 LYS 300 HG2 0.01 -0.03 -0.02 -0.04 1.46 1.38 2b30C1 LYS 300 HG3 0.07 0.02 0.04 -0.04 1.46 1.54 2b30C1 LYS 300 HD2 -0.02 0.05 0.05 -0.04 1.69 1.73 2b30C1 LYS 300 HD3 -0.05 -0.04 0.03 -0.04 1.68 1.58 2b30C1 LYS 300 HE2 -0.03 -0.06 -0.01 -0.04 2.99 2.85 2b30C1 LYS 300 HE3 0.04 0.03 0.02 -0.04 2.99 3.03