============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 21 0.900 9.230 37.752 -20.336 -99.200 -91.000 HIS 22 0.900 4.177 32.659 -16.250 -99.200 -91.000 HIS 23 0.900 11.128 30.251 -18.619 -99.200 -91.000 PHE 58 1.000 -5.700 26.925 -32.541 -99.200 -91.000 HIS 62 0.900 -19.888 18.535 -37.906 -99.200 -91.000 HIS 64 0.900 -18.168 15.564 -42.892 -99.200 -91.000 PHE 99 1.000 -7.969 23.638 -36.350 -99.200 -91.000 TRP 110 1.040 -8.990 1.467 -34.311 -99.200 -91.000 TRP6 110 1.020 -7.599 -0.149 -35.335 -99.200 -91.000 PHE 127 1.000 -10.172 12.355 -29.817 -99.200 -91.000 HIS 139 0.900 -27.522 16.021 -44.471 -99.200 -91.000 PHE 142 1.000 -24.393 11.762 -49.511 -99.200 -91.000 PHE 156 1.000 -19.517 -4.267 -47.802 -99.200 -91.000 TYR 205 0.840 -32.011 7.492 -38.022 -99.200 -91.000 TYR 223 0.840 -19.565 12.181 -27.442 -99.200 -91.000 HIS 227 0.900 -27.576 17.674 -40.472 -99.200 -91.000 TYR 229 0.840 -28.809 22.468 -41.072 -99.200 -91.000 HIS 247 0.900 -24.348 20.970 -39.342 -99.200 -91.000 HIS 260 0.900 -28.060 26.191 -18.661 -99.200 -91.000 HIS 262 0.900 -32.821 17.609 -21.282 -99.200 -91.000 PHE 265 1.000 -20.611 19.740 -23.845 -99.200 -91.000 TYR 273 0.840 -23.854 26.201 -42.749 -99.200 -91.000 HIS 279 0.900 -15.450 30.753 -53.213 -99.200 -91.000 PHE 283 1.000 -13.868 25.632 -55.036 -99.200 -91.000 TYR 307 0.840 -26.872 27.502 -30.178 -99.200 -91.000 PHE 316 1.000 -12.760 26.134 -35.186 -99.200 -91.000 HIS 325 0.900 -11.275 19.745 -46.152 -99.200 -91.000 PHE 327 1.000 -11.959 29.510 -48.403 -99.200 -91.000 PHE 332 1.000 -9.835 29.496 -33.740 -99.200 -91.000 TYR 396 0.840 9.448 26.521 -33.510 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3n2cL1 THR 2 HA -0.01 -0.01 0.21 -0.75 4.39 3.83 3n2cL1 THR 2 HB -0.00 -0.06 0.02 -0.04 4.32 4.23 3n2cL1 THR 2 HG23 -0.00 0.00 0.06 -0.04 1.22 1.24 3n2cL1 ILE 3 H -0.01 0.30 0.13 -0.55 8.25 8.13 3n2cL1 ILE 3 HA -0.01 0.29 1.17 -0.75 4.18 4.87 3n2cL1 ILE 3 HB -0.01 -0.01 -0.08 -0.04 1.89 1.75 3n2cL1 ILE 3 HG12 -0.01 -0.16 -0.18 -0.04 1.49 1.09 3n2cL1 ILE 3 HG13 -0.01 0.28 0.08 -0.04 1.21 1.52 3n2cL1 ILE 3 HG23 -0.01 -0.02 -0.08 -0.04 0.93 0.77 3n2cL1 ILE 3 HD13 -0.01 -0.03 -0.07 -0.04 0.88 0.73 3n2cL1 THR 4 H -0.01 0.57 0.37 -0.55 8.28 8.66 3n2cL1 THR 4 HA -0.02 0.21 1.03 -0.75 4.39 4.86 3n2cL1 THR 4 HB -0.02 -0.05 0.03 -0.04 4.32 4.23 3n2cL1 THR 4 HG23 -0.04 0.01 -0.06 -0.04 1.22 1.09 3n2cL1 VAL 5 H -0.03 0.77 0.28 -0.55 8.24 8.71 3n2cL1 VAL 5 HA -0.01 0.26 1.01 -0.75 4.13 4.64 3n2cL1 VAL 5 HB -0.02 -0.02 -0.12 -0.04 2.12 1.91 3n2cL1 VAL 5 HG13 -0.01 -0.02 -0.32 -0.04 0.97 0.58 3n2cL1 VAL 5 HG23 -0.02 -0.02 -0.23 -0.04 0.95 0.64 3n2cL1 LEU 6 H -0.00 0.64 0.30 -0.55 8.37 8.75 3n2cL1 LEU 6 HA -0.05 0.30 0.91 -0.75 4.35 4.76 3n2cL1 LEU 6 HB2 -0.01 -0.14 0.20 -0.04 1.64 1.65 3n2cL1 LEU 6 HB3 -0.04 -0.00 0.05 -0.04 1.64 1.60 3n2cL1 LEU 6 HG -0.04 0.05 -0.06 -0.04 1.64 1.56 3n2cL1 LEU 6 HD13 -0.05 -0.01 -0.09 -0.04 0.93 0.75 3n2cL1 LEU 6 HD23 -0.12 0.03 -0.09 -0.04 0.89 0.67 3n2cL1 GLN 7 H 0.01 0.35 0.16 -0.55 8.47 8.44 3n2cL1 GLN 7 HA 0.32 0.12 0.99 -0.75 4.36 5.04 3n2cL1 GLN 7 HB2 0.18 0.02 -0.07 -0.04 2.15 2.24 3n2cL1 GLN 7 HB3 0.14 0.06 -0.08 -0.04 2.02 2.10 3n2cL1 GLN 7 HG2 0.02 0.05 -0.20 -0.04 2.40 2.22 3n2cL1 GLN 7 HG3 0.03 -0.07 -0.04 -0.04 2.39 2.27 3n2cL1 GLN 7 HE21 -0.01 0.05 -0.08 -0.04 6.97 6.88 3n2cL1 GLN 7 HE22 -0.00 -0.04 -0.13 -0.04 7.69 7.48 3n2cL1 GLY 8 H -0.20 0.21 -0.11 -0.55 8.43 7.79 3n2cL1 GLY 8 HA2 -0.13 0.06 0.19 -0.51 4.01 3.63 3n2cL1 GLY 8 HA3 0.00 0.06 0.48 -0.51 4.01 4.05 3n2cL1 GLY 9 H -0.11 0.10 -0.11 -0.55 8.43 7.76 3n2cL1 GLY 9 HA2 -0.08 0.33 0.58 -0.51 4.01 4.33 3n2cL1 GLY 9 HA3 -0.06 0.01 0.34 -0.51 4.01 3.79 3n2cL1 ASN 10 H -0.07 0.52 0.20 -0.55 8.53 8.63 3n2cL1 ASN 10 HA -0.06 0.15 0.58 -0.75 4.76 4.69 3n2cL1 ASN 10 HB2 -0.06 -0.01 0.13 -0.04 2.88 2.90 3n2cL1 ASN 10 HB3 -0.06 -0.04 -0.04 -0.04 2.79 2.62 3n2cL1 ASN 10 HD21 -0.08 -0.01 -0.24 -0.04 7.03 6.65 3n2cL1 ASN 10 HD22 -0.06 0.01 -0.28 -0.04 7.74 7.37 3n2cL1 VAL 11 H -0.04 0.47 -0.13 -0.55 8.24 7.99 3n2cL1 VAL 11 HA -0.05 0.13 0.34 -0.75 4.13 3.79 3n2cL1 VAL 11 HB -0.12 0.03 0.12 -0.04 2.12 2.11 3n2cL1 VAL 11 HG13 -0.06 -0.02 -0.22 -0.04 0.97 0.64 3n2cL1 VAL 11 HG23 -0.00 0.03 -0.12 -0.04 0.95 0.82 3n2cL1 LEU 12 H -0.05 0.59 0.35 -0.55 8.37 8.71 3n2cL1 LEU 12 HA -0.04 0.09 0.59 -0.75 4.35 4.23 3n2cL1 LEU 12 HB2 -0.04 0.16 0.22 -0.04 1.64 1.94 3n2cL1 LEU 12 HB3 -0.03 -0.07 0.26 -0.04 1.64 1.76 3n2cL1 LEU 12 HG -0.02 -0.04 -0.04 -0.04 1.64 1.51 3n2cL1 LEU 12 HD13 -0.01 -0.02 -0.04 -0.04 0.93 0.83 3n2cL1 LEU 12 HD23 -0.00 0.03 -0.24 -0.04 0.89 0.64 3n2cL1 ASP 13 H -0.06 0.38 0.30 -0.55 8.40 8.47 3n2cL1 ASP 13 HA -0.03 0.03 0.75 -0.75 4.63 4.63 3n2cL1 ASP 13 HB2 -0.07 0.10 0.12 -0.04 2.71 2.82 3n2cL1 ASP 13 HB3 -0.04 -0.03 0.17 -0.04 2.70 2.75 3n2cL1 LEU 14 H -0.00 0.17 0.24 -0.55 8.37 8.24 3n2cL1 LEU 14 HA 0.01 0.16 0.42 -0.75 4.35 4.18 3n2cL1 LEU 14 HB2 0.02 0.03 0.20 -0.04 1.64 1.85 3n2cL1 LEU 14 HB3 0.03 0.00 0.01 -0.04 1.64 1.65 3n2cL1 LEU 14 HG 0.02 0.01 -0.15 -0.04 1.64 1.48 3n2cL1 LEU 14 HD13 0.04 0.01 0.04 -0.04 0.93 0.98 3n2cL1 LEU 14 HD23 0.06 -0.02 -0.07 -0.04 0.89 0.82 3n2cL1 GLU 15 H 0.01 0.06 0.07 -0.55 8.60 8.19 3n2cL1 GLU 15 HA 0.02 0.17 0.59 -0.75 4.29 4.32 3n2cL1 GLU 15 HB2 0.01 0.07 0.07 -0.04 2.09 2.20 3n2cL1 GLU 15 HB3 0.02 0.01 0.11 -0.04 1.99 2.08 3n2cL1 GLU 15 HG2 0.00 -0.04 -0.04 -0.04 2.34 2.22 3n2cL1 GLU 15 HG3 0.01 0.06 -0.02 -0.04 2.34 2.35 3n2cL1 ARG 16 H -0.00 -0.02 -0.31 -0.55 8.46 7.58 3n2cL1 ARG 16 HA 0.00 0.20 0.68 -0.75 4.34 4.46 3n2cL1 ARG 16 HB2 -0.01 -0.02 0.01 -0.04 1.90 1.83 3n2cL1 ARG 16 HB3 -0.01 0.03 0.04 -0.04 1.80 1.81 3n2cL1 ARG 16 HG2 -0.00 0.05 -0.01 -0.04 1.67 1.67 3n2cL1 ARG 16 HG3 -0.00 -0.07 -0.13 -0.04 1.67 1.43 3n2cL1 ARG 16 HD2 -0.01 0.02 -0.02 -0.04 3.22 3.17 3n2cL1 ARG 16 HD3 -0.02 -0.03 -0.01 -0.04 3.22 3.12 3n2cL1 GLY 17 H 0.00 0.11 -0.26 -0.55 8.43 7.73 3n2cL1 GLY 17 HA2 0.01 0.04 0.26 -0.51 4.01 3.82 3n2cL1 GLY 17 HA3 0.01 0.08 0.31 -0.51 4.01 3.90 3n2cL1 VAL 18 H -0.01 0.13 -0.11 -0.55 8.24 7.69 3n2cL1 VAL 18 HA -0.01 0.18 0.95 -0.75 4.13 4.50 3n2cL1 VAL 18 HB -0.01 0.07 0.06 -0.04 2.12 2.19 3n2cL1 VAL 18 HG13 -0.00 0.03 -0.14 -0.04 0.97 0.82 3n2cL1 VAL 18 HG23 -0.02 -0.03 -0.17 -0.04 0.95 0.69 3n2cL1 LEU 19 H -0.02 0.11 0.14 -0.55 8.37 8.06 3n2cL1 LEU 19 HA -0.04 0.17 0.71 -0.75 4.35 4.44 3n2cL1 LEU 19 HB2 -0.02 -0.03 0.11 -0.04 1.64 1.66 3n2cL1 LEU 19 HB3 -0.03 -0.03 -0.13 -0.04 1.64 1.40 3n2cL1 LEU 19 HG -0.02 -0.03 -0.01 -0.04 1.64 1.54 3n2cL1 LEU 19 HD13 -0.03 -0.02 -0.02 -0.04 0.93 0.82 3n2cL1 LEU 19 HD23 -0.03 0.05 -0.00 -0.04 0.89 0.86 3n2cL1 LEU 20 H -0.09 0.49 -0.16 -0.55 8.37 8.06 3n2cL1 LEU 20 HA -0.06 0.15 0.91 -0.75 4.35 4.59 3n2cL1 LEU 20 HB2 -0.33 0.17 0.20 -0.04 1.64 1.65 3n2cL1 LEU 20 HB3 -1.05 -0.00 0.05 -0.04 1.64 0.60 3n2cL1 LEU 20 HG -0.14 -0.01 -0.26 -0.04 1.64 1.19 3n2cL1 LEU 20 HD13 -0.24 -0.01 -0.01 -0.04 0.93 0.62 3n2cL1 LEU 20 HD23 -0.12 0.00 0.00 -0.04 0.89 0.73 3n2cL1 GLU 21 H 0.05 0.17 -0.04 -0.55 8.60 8.24 3n2cL1 GLU 21 HA -0.06 -0.00 0.38 -0.75 4.29 3.86 3n2cL1 GLU 21 HB2 -0.09 0.04 -0.02 -0.04 2.09 1.97 3n2cL1 GLU 21 HB3 -0.06 -0.02 0.03 -0.04 1.99 1.90 3n2cL1 GLU 21 HG2 0.12 0.01 0.06 -0.04 2.34 2.49 3n2cL1 GLU 21 HG3 0.11 0.02 -0.01 -0.04 2.34 2.42 3n2cL1 HIS 22 H -0.31 0.12 -0.05 -0.55 8.41 7.63 3n2cL1 HIS 22 HA -0.15 -0.08 0.15 -0.75 4.63 3.81 3n2cL1 HIS 22 HB2 -0.10 0.15 -0.02 -0.04 3.26 3.25 3n2cL1 HIS 22 HB3 -0.12 -0.02 0.18 -0.04 3.20 3.20 3n2cL1 HIS 22 HD2 -0.01 0.01 -0.20 -0.04 6.97 6.73 3n2cL1 HIS 22 HE1 -0.01 0.00 0.01 -0.04 7.75 7.71 3n2cL1 HIS 23 H 0.07 0.49 -0.17 -0.55 8.41 8.25 3n2cL1 HIS 23 HA -0.13 0.17 0.78 -0.75 4.63 4.69 3n2cL1 HIS 23 HB2 -0.06 0.03 0.10 -0.04 3.26 3.29 3n2cL1 HIS 23 HB3 -0.04 -0.02 -0.18 -0.04 3.20 2.92 3n2cL1 HIS 23 HD2 0.01 0.02 -0.28 -0.04 6.97 6.67 3n2cL1 HIS 23 HE1 0.01 -0.04 -0.09 -0.04 7.75 7.59 3n2cL1 HIS 24 H 0.01 0.83 0.42 -0.55 8.41 9.13 3n2cL1 HIS 24 HA 0.01 -0.07 0.62 -0.75 4.63 4.44 3n2cL1 HIS 24 HB2 -0.00 -0.03 0.11 -0.04 3.26 3.30 3n2cL1 HIS 24 HB3 -0.01 0.15 0.20 -0.04 3.20 3.49 3n2cL1 HIS 24 HD2 -0.04 0.06 -0.00 -0.04 6.97 6.94 3n2cL1 HIS 24 HE1 0.01 -0.03 -0.04 -0.04 7.75 7.64 3n2cL1 VAL 25 H 0.07 0.37 0.27 -0.55 8.24 8.39 3n2cL1 VAL 25 HA 0.04 0.25 1.08 -0.75 4.13 4.75 3n2cL1 VAL 25 HB -0.00 -0.08 0.10 -0.04 2.12 2.10 3n2cL1 VAL 25 HG13 -0.00 0.01 -0.21 -0.04 0.97 0.73 3n2cL1 VAL 25 HG23 0.00 0.01 -0.17 -0.04 0.95 0.75 3n2cL1 VAL 26 H 0.02 0.51 0.30 -0.55 8.24 8.52 3n2cL1 VAL 26 HA 0.00 0.24 0.94 -0.75 4.13 4.56 3n2cL1 VAL 26 HB 0.01 -0.32 0.26 -0.04 2.12 2.02 3n2cL1 VAL 26 HG13 -0.00 0.02 -0.08 -0.04 0.97 0.86 3n2cL1 VAL 26 HG23 0.01 0.05 -0.03 -0.04 0.95 0.94 3n2cL1 ILE 27 H -0.01 0.74 0.39 -0.55 8.25 8.82 3n2cL1 ILE 27 HA -0.00 0.22 1.04 -0.75 4.18 4.68 3n2cL1 ILE 27 HB -0.01 -0.09 0.12 -0.04 1.89 1.86 3n2cL1 ILE 27 HG12 -0.01 0.01 -0.30 -0.04 1.49 1.15 3n2cL1 ILE 27 HG13 -0.02 0.05 -0.17 -0.04 1.21 1.03 3n2cL1 ILE 27 HG23 -0.01 0.02 -0.27 -0.04 0.93 0.63 3n2cL1 ILE 27 HD13 -0.01 0.01 -0.33 -0.04 0.88 0.51 3n2cL1 ASP 28 H -0.00 0.48 0.21 -0.55 8.40 8.54 3n2cL1 ASP 28 HA -0.01 0.31 0.88 -0.75 4.63 5.06 3n2cL1 ASP 28 HB2 -0.00 -0.05 -0.02 -0.04 2.71 2.60 3n2cL1 ASP 28 HB3 -0.00 -0.04 0.12 -0.04 2.70 2.74 3n2cL1 GLY 29 H -0.00 0.68 0.22 -0.55 8.43 8.78 3n2cL1 GLY 29 HA2 -0.00 0.06 0.41 -0.51 4.01 3.97 3n2cL1 GLY 29 HA3 -0.00 -0.00 0.63 -0.51 4.01 4.13 3n2cL1 GLU 30 H 0.00 0.17 0.27 -0.55 8.60 8.49 3n2cL1 GLU 30 HA -0.00 0.25 0.44 -0.75 4.29 4.23 3n2cL1 GLU 30 HB2 0.00 -0.01 0.06 -0.04 2.09 2.10 3n2cL1 GLU 30 HB3 0.00 -0.07 0.14 -0.04 1.99 2.02 3n2cL1 GLU 30 HG2 -0.01 0.34 0.06 -0.04 2.34 2.69 3n2cL1 GLU 30 HG3 -0.00 -0.13 -0.35 -0.04 2.34 1.81 3n2cL1 ARG 31 H 0.00 0.36 0.06 -0.55 8.46 8.33 3n2cL1 ARG 31 HA 0.00 -0.01 1.05 -0.75 4.34 4.64 3n2cL1 ARG 31 HB2 0.01 -0.03 0.02 -0.04 1.90 1.86 3n2cL1 ARG 31 HB3 0.01 0.10 -0.07 -0.04 1.80 1.79 3n2cL1 ARG 31 HG2 0.01 0.06 -0.25 -0.04 1.67 1.45 3n2cL1 ARG 31 HG3 0.01 -0.12 -0.37 -0.04 1.67 1.15 3n2cL1 ARG 31 HD2 0.01 -0.09 -0.03 -0.04 3.22 3.07 3n2cL1 ARG 31 HD3 0.01 0.27 -0.04 -0.04 3.22 3.42 3n2cL1 ILE 32 H 0.00 0.68 0.19 -0.55 8.25 8.58 3n2cL1 ILE 32 HA 0.00 0.16 0.76 -0.75 4.18 4.35 3n2cL1 ILE 32 HB 0.00 0.28 0.16 -0.04 1.89 2.30 3n2cL1 ILE 32 HG12 -0.01 -0.04 -0.15 -0.04 1.49 1.26 3n2cL1 ILE 32 HG13 -0.00 -0.08 -0.16 -0.04 1.21 0.93 3n2cL1 ILE 32 HG23 0.01 -0.05 -0.29 -0.04 0.93 0.55 3n2cL1 ILE 32 HD13 -0.01 -0.02 -0.11 -0.04 0.88 0.70 3n2cL1 VAL 33 H 0.00 0.62 0.28 -0.55 8.24 8.60 3n2cL1 VAL 33 HA 0.01 0.12 0.66 -0.75 4.13 4.16 3n2cL1 VAL 33 HB 0.00 -0.05 0.01 -0.04 2.12 2.04 3n2cL1 VAL 33 HG13 0.00 -0.00 -0.04 -0.04 0.97 0.89 3n2cL1 VAL 33 HG23 0.00 0.03 -0.10 -0.04 0.95 0.84 3n2cL1 GLU 34 H 0.01 0.18 0.17 -0.55 8.60 8.42 3n2cL1 GLU 34 HA 0.02 0.14 0.77 -0.75 4.29 4.47 3n2cL1 GLU 34 HB2 0.01 0.07 -0.24 -0.04 2.09 1.89 3n2cL1 GLU 34 HB3 0.02 -0.04 0.03 -0.04 1.99 1.96 3n2cL1 GLU 34 HG2 0.03 -0.06 -0.25 -0.04 2.34 2.02 3n2cL1 GLU 34 HG3 0.03 0.04 -0.02 -0.04 2.34 2.35 3n2cL1 VAL 35 H 0.04 0.20 0.01 -0.55 8.24 7.94 3n2cL1 VAL 35 HA 0.07 0.41 1.01 -0.75 4.13 4.86 3n2cL1 VAL 35 HB 0.04 -0.02 0.15 -0.04 2.12 2.25 3n2cL1 VAL 35 HG13 0.05 0.01 -0.14 -0.04 0.97 0.84 3n2cL1 VAL 35 HG23 0.02 0.01 -0.29 -0.04 0.95 0.65 3n2cL1 THR 36 H 0.11 0.42 0.10 -0.55 8.28 8.36 3n2cL1 THR 36 HA 0.11 0.20 0.96 -0.75 4.39 4.90 3n2cL1 THR 36 HB 0.05 0.02 -0.12 -0.04 4.32 4.22 3n2cL1 THR 36 HG23 0.06 0.05 -0.09 -0.04 1.22 1.19 3n2cL1 ASP 37 H -0.05 0.15 0.16 -0.55 8.40 8.11 3n2cL1 ASP 37 HA -0.15 0.28 0.99 -0.75 4.63 5.00 3n2cL1 ASP 37 HB2 -0.31 0.03 0.14 -0.04 2.71 2.54 3n2cL1 ASP 37 HB3 -1.39 0.05 -0.04 -0.04 2.70 1.28 3n2cL1 ARG 38 H 0.03 -0.07 -0.08 -0.55 8.46 7.78 3n2cL1 ARG 38 HA -0.00 0.14 0.60 -0.75 4.34 4.32 3n2cL1 ARG 38 HB2 0.00 -0.09 0.03 -0.04 1.90 1.80 3n2cL1 ARG 38 HB3 -0.02 0.15 -0.01 -0.04 1.80 1.87 3n2cL1 ARG 38 HG2 -0.00 -0.08 0.01 -0.04 1.67 1.55 3n2cL1 ARG 38 HG3 -0.00 0.00 0.02 -0.04 1.67 1.65 3n2cL1 ARG 38 HD2 -0.01 0.04 0.05 -0.04 3.22 3.25 3n2cL1 ARG 38 HD3 -0.01 0.05 0.06 -0.04 3.22 3.28 3n2cL1 PRO 39 HA -0.11 0.01 0.51 -0.51 4.44 4.34 3n2cL1 PRO 39 HB2 -0.05 0.04 -0.04 -0.04 2.28 2.19 3n2cL1 PRO 39 HB3 -0.04 0.03 0.08 -0.04 2.02 2.04 3n2cL1 PRO 39 HG2 -0.03 0.01 0.09 -0.04 2.03 2.06 3n2cL1 PRO 39 HG3 -0.02 0.04 0.08 -0.04 2.03 2.09 3n2cL1 PRO 39 HD2 -0.02 0.04 0.24 -0.04 3.68 3.90 3n2cL1 PRO 39 HD3 -0.01 0.18 0.12 -0.04 3.65 3.90 3n2cL1 VAL 40 H -0.31 0.08 0.13 -0.55 8.24 7.59 3n2cL1 VAL 40 HA -0.20 0.02 0.20 -0.75 4.13 3.40 3n2cL1 VAL 40 HB -0.57 0.04 0.05 -0.04 2.12 1.60 3n2cL1 VAL 40 HG13 -0.19 -0.01 0.05 -0.04 0.97 0.78 3n2cL1 VAL 40 HG23 -0.10 -0.01 -0.26 -0.04 0.95 0.53 3n2cL1 ASP 41 H -0.08 0.14 0.07 -0.55 8.40 7.98 3n2cL1 ASP 41 HA -0.05 0.14 0.65 -0.75 4.63 4.62 3n2cL1 ASP 41 HB2 -0.04 0.07 0.07 -0.04 2.71 2.77 3n2cL1 ASP 41 HB3 -0.03 -0.04 0.19 -0.04 2.70 2.78 3n2cL1 LEU 42 H -0.05 0.35 -0.04 -0.55 8.37 8.08 3n2cL1 LEU 42 HA -0.03 0.19 0.89 -0.75 4.35 4.66 3n2cL1 LEU 42 HB2 -0.03 -0.02 -0.10 -0.04 1.64 1.45 3n2cL1 LEU 42 HB3 -0.04 -0.06 -0.22 -0.04 1.64 1.27 3n2cL1 LEU 42 HG -0.03 0.05 -0.06 -0.04 1.64 1.56 3n2cL1 LEU 42 HD13 -0.03 0.03 -0.17 -0.04 0.93 0.73 3n2cL1 LEU 42 HD23 -0.05 0.00 -0.04 -0.04 0.89 0.76 3n2cL1 PRO 43 HA -0.02 0.23 0.87 -0.51 4.44 5.02 3n2cL1 PRO 43 HB2 -0.01 0.03 0.08 -0.04 2.28 2.34 3n2cL1 PRO 43 HB3 -0.01 0.05 0.03 -0.04 2.02 2.05 3n2cL1 PRO 43 HG2 -0.01 0.03 0.08 -0.04 2.03 2.09 3n2cL1 PRO 43 HG3 -0.01 0.09 -0.05 -0.04 2.03 2.01 3n2cL1 PRO 43 HD2 -0.02 -0.00 0.21 -0.04 3.68 3.83 3n2cL1 PRO 43 HD3 -0.02 0.38 0.21 -0.04 3.65 4.18 3n2cL1 ASN 44 H -0.01 0.13 0.14 -0.55 8.53 8.24 3n2cL1 ASN 44 HA -0.01 0.18 0.65 -0.75 4.76 4.83 3n2cL1 ASN 44 HB2 -0.01 -0.05 0.09 -0.04 2.88 2.86 3n2cL1 ASN 44 HB3 -0.01 0.02 0.04 -0.04 2.79 2.80 3n2cL1 ASN 44 HD21 -0.01 0.00 0.04 -0.04 7.03 7.03 3n2cL1 ASN 44 HD22 -0.01 -0.02 0.03 -0.04 7.74 7.70 3n2cL1 ALA 45 H -0.02 -0.05 -0.34 -0.55 8.40 7.44 3n2cL1 ALA 45 HA -0.01 0.26 0.37 -0.75 4.34 4.20 3n2cL1 ALA 45 HB3 -0.02 -0.03 -0.17 -0.04 1.41 1.15 3n2cL1 GLN 46 H -0.02 0.60 0.38 -0.55 8.47 8.89 3n2cL1 GLN 46 HA -0.02 0.10 0.82 -0.75 4.36 4.51 3n2cL1 GLN 46 HB2 -0.01 0.07 0.16 -0.04 2.15 2.32 3n2cL1 GLN 46 HB3 -0.02 -0.04 0.20 -0.04 2.02 2.12 3n2cL1 GLN 46 HG2 -0.02 0.05 -0.10 -0.04 2.40 2.28 3n2cL1 GLN 46 HG3 -0.01 -0.01 0.07 -0.04 2.39 2.40 3n2cL1 GLN 46 HE21 -0.01 -0.01 0.01 -0.04 6.97 6.92 3n2cL1 GLN 46 HE22 -0.01 0.03 0.03 -0.04 7.69 7.70 3n2cL1 ALA 47 H -0.02 0.17 0.15 -0.55 8.40 8.16 3n2cL1 ALA 47 HA -0.03 0.22 0.85 -0.75 4.34 4.62 3n2cL1 ALA 47 HB3 -0.02 -0.01 -0.03 -0.04 1.41 1.31 3n2cL1 ILE 48 H -0.07 0.70 0.36 -0.55 8.25 8.69 3n2cL1 ILE 48 HA -0.09 0.12 0.71 -0.75 4.18 4.16 3n2cL1 ILE 48 HB -0.20 0.00 0.09 -0.04 1.89 1.74 3n2cL1 ILE 48 HG12 -0.13 0.01 0.03 -0.04 1.49 1.35 3n2cL1 ILE 48 HG13 -0.09 0.08 -0.41 -0.04 1.21 0.76 3n2cL1 ILE 48 HG23 -0.56 -0.01 -0.17 -0.04 0.93 0.16 3n2cL1 ILE 48 HD13 -0.13 -0.00 -0.09 -0.04 0.88 0.62 3n2cL1 ASP 49 H -0.07 0.19 0.08 -0.55 8.40 8.05 3n2cL1 ASP 49 HA -0.02 0.01 0.45 -0.75 4.63 4.32 3n2cL1 ASP 49 HB2 -0.01 0.02 0.10 -0.04 2.71 2.77 3n2cL1 ASP 49 HB3 -0.00 0.04 0.17 -0.04 2.70 2.87 3n2cL1 VAL 50 H -0.02 0.34 0.25 -0.55 8.24 8.26 3n2cL1 VAL 50 HA -0.02 0.24 0.77 -0.75 4.13 4.37 3n2cL1 VAL 50 HB -0.04 -0.11 -0.10 -0.04 2.12 1.83 3n2cL1 VAL 50 HG13 -0.03 0.00 -0.07 -0.04 0.97 0.83 3n2cL1 VAL 50 HG23 -0.12 0.06 -0.19 -0.04 0.95 0.66 3n2cL1 ARG 51 H 0.00 0.07 -0.11 -0.55 8.46 7.87 3n2cL1 ARG 51 HA -0.04 0.22 0.77 -0.75 4.34 4.54 3n2cL1 ARG 51 HB2 0.05 -0.01 0.14 -0.04 1.90 2.04 3n2cL1 ARG 51 HB3 0.03 -0.00 0.13 -0.04 1.80 1.92 3n2cL1 ARG 51 HG2 0.02 0.03 -0.15 -0.04 1.67 1.53 3n2cL1 ARG 51 HG3 0.04 -0.01 -0.01 -0.04 1.67 1.65 3n2cL1 ARG 51 HD2 0.02 0.00 -0.01 -0.04 3.22 3.20 3n2cL1 ARG 51 HD3 0.02 -0.04 0.02 -0.04 3.22 3.18 3n2cL1 GLY 52 H -0.12 0.31 0.29 -0.55 8.43 8.37 3n2cL1 GLY 52 HA2 -0.09 -0.05 0.33 -0.51 4.01 3.69 3n2cL1 GLY 52 HA3 -0.03 0.06 0.44 -0.51 4.01 3.97 3n2cL1 LYS 53 H -0.06 0.31 -0.05 -0.55 8.42 8.06 3n2cL1 LYS 53 HA -0.03 0.10 0.84 -0.75 4.32 4.48 3n2cL1 LYS 53 HB2 -0.01 -0.02 -0.24 -0.04 1.87 1.56 3n2cL1 LYS 53 HB3 -0.00 0.02 -0.19 -0.04 1.79 1.58 3n2cL1 LYS 53 HG2 0.00 -0.02 -0.12 -0.04 1.46 1.28 3n2cL1 LYS 53 HG3 -0.00 0.17 -0.23 -0.04 1.46 1.36 3n2cL1 LYS 53 HD2 0.06 -0.05 -0.19 -0.04 1.69 1.47 3n2cL1 LYS 53 HD3 0.04 -0.01 -0.14 -0.04 1.68 1.53 3n2cL1 LYS 53 HE2 0.02 0.05 -0.18 -0.04 2.99 2.84 3n2cL1 LYS 53 HE3 0.01 -0.08 -0.46 -0.04 2.99 2.41 3n2cL1 THR 54 H -0.03 0.42 0.33 -0.55 8.28 8.45 3n2cL1 THR 54 HA -0.05 -0.06 0.59 -0.75 4.39 4.12 3n2cL1 THR 54 HB -0.04 0.04 0.25 -0.04 4.32 4.53 3n2cL1 THR 54 HG23 -0.04 0.02 -0.08 -0.04 1.22 1.08 3n2cL1 VAL 55 H -0.05 0.04 0.10 -0.55 8.24 7.77 3n2cL1 VAL 55 HA -0.06 0.22 0.88 -0.75 4.13 4.41 3n2cL1 VAL 55 HB -0.04 -0.08 0.01 -0.04 2.12 1.96 3n2cL1 VAL 55 HG13 -0.05 0.01 -0.14 -0.04 0.97 0.75 3n2cL1 VAL 55 HG23 -0.04 0.01 -0.01 -0.04 0.95 0.86 3n2cL1 MET 56 H -0.10 0.52 0.28 -0.55 8.47 8.62 3n2cL1 MET 56 HA -0.07 0.08 0.76 -0.75 4.52 4.54 3n2cL1 MET 56 HB2 -0.07 0.03 0.15 -0.04 2.15 2.22 3n2cL1 MET 56 HB3 -0.08 -0.06 -0.22 -0.04 2.03 1.63 3n2cL1 MET 56 HG2 -0.23 0.14 0.02 -0.04 2.63 2.51 3n2cL1 MET 56 HG3 -0.32 0.23 -0.21 -0.04 2.56 2.22 3n2cL1 MET 56 HE3 0.10 -0.00 -0.02 -0.04 2.10 2.14 3n2cL1 PRO 57 HA -0.08 0.23 0.85 -0.51 4.44 4.94 3n2cL1 PRO 57 HB2 -0.02 0.07 -0.11 -0.04 2.28 2.18 3n2cL1 PRO 57 HB3 -0.02 -0.02 -0.09 -0.04 2.02 1.85 3n2cL1 PRO 57 HG2 -0.00 0.18 -0.22 -0.04 2.03 1.95 3n2cL1 PRO 57 HG3 -0.02 -0.12 -0.16 -0.04 2.03 1.68 3n2cL1 PRO 57 HD2 -0.03 0.11 0.19 -0.04 3.68 3.90 3n2cL1 PRO 57 HD3 -0.04 0.14 0.21 -0.04 3.65 3.92 3n2cL1 GLY 58 H -0.09 0.93 0.25 -0.55 8.43 8.97 3n2cL1 GLY 58 HA2 -0.35 0.03 0.26 -0.51 4.01 3.43 3n2cL1 GLY 58 HA3 -0.11 -0.01 0.12 -0.51 4.01 3.50 3n2cL1 PHE 59 H -0.46 0.42 0.27 -0.55 8.34 8.02 3n2cL1 PHE 59 HA -0.08 0.24 0.39 -0.75 4.62 4.41 3n2cL1 PHE 59 HB2 -0.80 -0.03 -0.19 -0.04 3.15 2.09 3n2cL1 PHE 59 HB3 -0.62 -0.07 -0.03 -0.04 3.06 2.30 3n2cL1 PHE 59 HD2 -0.42 0.09 -0.05 -0.04 7.28 6.85 3n2cL1 PHE 59 HE2 -0.26 -0.01 -0.04 -0.04 7.38 7.03 3n2cL1 PHE 59 HZ -0.39 -0.07 -0.05 -0.04 7.32 6.76 3n2cL1 ILE 60 H 0.22 0.40 0.35 -0.55 8.25 8.66 3n2cL1 ILE 60 HA 0.30 0.38 0.97 -0.75 4.18 5.07 3n2cL1 ILE 60 HB 0.15 -0.10 -0.00 -0.04 1.89 1.90 3n2cL1 ILE 60 HG12 0.18 -0.01 -0.09 -0.04 1.49 1.53 3n2cL1 ILE 60 HG13 0.14 0.13 -0.37 -0.04 1.21 1.07 3n2cL1 ILE 60 HG23 0.16 -0.01 -0.34 -0.04 0.93 0.71 3n2cL1 ILE 60 HD13 0.08 -0.02 -0.19 -0.04 0.88 0.71 3n2cL1 ASP 61 H 0.29 0.48 0.21 -0.55 8.40 8.83 3n2cL1 ASP 61 HA 0.45 0.16 0.87 -0.75 4.63 5.35 3n2cL1 ASP 61 HB2 -0.32 0.07 -0.03 -0.04 2.71 2.40 3n2cL1 ASP 61 HB3 -0.04 -0.04 0.11 -0.04 2.70 2.68 3n2cL1 CYS 62 H 0.18 0.80 0.27 -0.55 8.50 9.21 3n2cL1 CYS 62 HA 0.09 0.07 0.43 -0.75 4.58 4.42 3n2cL1 CYS 62 HB2 0.06 0.15 0.03 -0.04 2.97 3.17 3n2cL1 CYS 62 HB3 0.05 -0.00 0.04 -0.04 2.97 3.01 3n2cL1 HIS 63 H 0.07 -0.04 -0.28 -0.55 8.41 7.61 3n2cL1 HIS 63 HA -0.09 0.33 0.82 -0.75 4.63 4.95 3n2cL1 HIS 63 HB2 -0.12 0.13 -0.30 -0.04 3.26 2.93 3n2cL1 HIS 63 HB3 -0.16 -0.24 0.11 -0.04 3.20 2.86 3n2cL1 HIS 63 HD2 -0.19 -0.15 -0.12 -0.04 6.97 6.46 3n2cL1 HIS 63 HE1 0.03 0.03 -0.09 -0.04 7.75 7.67 3n2cL1 VAL 64 H -0.17 0.57 0.14 -0.55 8.24 8.22 3n2cL1 VAL 64 HA -0.11 0.07 0.99 -0.75 4.13 4.32 3n2cL1 VAL 64 HB -0.01 -0.00 -0.03 -0.04 2.12 2.04 3n2cL1 VAL 64 HG13 -0.06 0.00 -0.16 -0.04 0.97 0.71 3n2cL1 VAL 64 HG23 -0.03 0.05 -0.23 -0.04 0.95 0.70 3n2cL1 HIS 65 H 0.08 0.26 -0.03 -0.55 8.41 8.18 3n2cL1 HIS 65 HA -0.00 0.16 0.67 -0.75 4.63 4.71 3n2cL1 HIS 65 HB2 0.05 0.10 0.06 -0.04 3.26 3.42 3n2cL1 HIS 65 HB3 0.04 -0.02 0.12 -0.04 3.20 3.29 3n2cL1 HIS 65 HD2 -0.03 0.10 0.18 -0.04 6.97 7.18 3n2cL1 HIS 65 HE1 0.10 -0.03 -0.15 -0.04 7.75 7.63 3n2cL1 VAL 66 H 0.05 0.13 -0.17 -0.55 8.24 7.71 3n2cL1 VAL 66 HA -0.05 0.09 0.33 -0.75 4.13 3.75 3n2cL1 VAL 66 HB 0.01 -0.08 0.02 -0.04 2.12 2.02 3n2cL1 VAL 66 HG13 -0.04 0.04 -0.15 -0.04 0.97 0.78 3n2cL1 VAL 66 HG23 -0.03 0.01 -0.08 -0.04 0.95 0.81 3n2cL1 LEU 67 H 0.06 0.01 -0.37 -0.55 8.37 7.52 3n2cL1 LEU 67 HA -0.00 0.19 0.55 -0.75 4.35 4.34 3n2cL1 LEU 67 HB2 0.02 -0.06 -0.03 -0.04 1.64 1.53 3n2cL1 LEU 67 HB3 0.00 0.11 0.01 -0.04 1.64 1.72 3n2cL1 LEU 67 HG 0.01 -0.14 -0.17 -0.04 1.64 1.29 3n2cL1 LEU 67 HD13 0.02 0.04 -0.29 -0.04 0.93 0.66 3n2cL1 LEU 67 HD23 -0.00 -0.01 -0.13 -0.04 0.89 0.71 3n2cL1 ALA 68 H 0.11 0.57 -0.32 -0.55 8.40 8.21 3n2cL1 ALA 68 HA 0.00 0.07 0.64 -0.75 4.34 4.30 3n2cL1 ALA 68 HB3 0.10 0.00 0.11 -0.04 1.41 1.58 3n2cL1 SER 69 H 0.00 0.29 0.22 -0.55 8.46 8.43 3n2cL1 SER 69 HA 0.01 0.17 0.49 -0.75 4.49 4.40 3n2cL1 SER 69 HB2 -0.02 -0.02 0.04 -0.04 3.95 3.92 3n2cL1 SER 69 HB3 -0.01 0.16 0.06 -0.04 3.93 4.10 3n2cL1 ASN 70 H -0.02 0.18 0.07 -0.55 8.53 8.21 3n2cL1 ASN 70 HA -0.03 0.10 0.67 -0.75 4.76 4.75 3n2cL1 ASN 70 HB2 -0.02 0.02 0.14 -0.04 2.88 2.98 3n2cL1 ASN 70 HB3 -0.02 0.06 -0.11 -0.04 2.79 2.68 3n2cL1 ASN 70 HD21 -0.04 -0.01 -0.28 -0.04 7.03 6.66 3n2cL1 ASN 70 HD22 -0.03 -0.02 -0.05 -0.04 7.74 7.60 3n2cL1 ALA 71 H 0.00 0.23 0.05 -0.55 8.40 8.14 3n2cL1 ALA 71 HA 0.00 -0.00 0.02 -0.75 4.34 3.61 3n2cL1 ALA 71 HB3 0.08 0.05 -0.06 -0.04 1.41 1.44 3n2cL1 ASN 72 H -0.01 0.14 -0.24 -0.55 8.53 7.86 3n2cL1 ASN 72 HA -0.07 0.08 0.69 -0.75 4.76 4.71 3n2cL1 ASN 72 HB2 -0.02 0.34 0.01 -0.04 2.88 3.17 3n2cL1 ASN 72 HB3 -0.04 -0.02 0.10 -0.04 2.79 2.79 3n2cL1 ASN 72 HD21 -0.04 0.03 0.01 -0.04 7.03 6.98 3n2cL1 ASN 72 HD22 -0.03 0.09 0.03 -0.04 7.74 7.78 3n2cL1 LEU 73 H -0.24 0.27 0.22 -0.55 8.37 8.07 3n2cL1 LEU 73 HA -0.25 0.16 0.34 -0.75 4.35 3.84 3n2cL1 LEU 73 HB2 -0.80 0.01 0.07 -0.04 1.64 0.88 3n2cL1 LEU 73 HB3 -0.74 -0.00 0.02 -0.04 1.64 0.88 3n2cL1 LEU 73 HG -0.16 0.13 0.06 -0.04 1.64 1.63 3n2cL1 LEU 73 HD13 -0.06 -0.01 -0.03 -0.04 0.93 0.79 3n2cL1 LEU 73 HD23 -0.15 0.02 -0.04 -0.04 0.89 0.68 3n2cL1 GLY 74 H -0.40 0.10 -0.12 -0.55 8.43 7.46 3n2cL1 GLY 74 HA2 -0.26 0.09 0.50 -0.51 4.01 3.83 3n2cL1 GLY 74 HA3 -0.16 0.10 0.29 -0.51 4.01 3.73 3n2cL1 VAL 75 H -0.11 0.16 -0.21 -0.55 8.24 7.53 3n2cL1 VAL 75 HA -0.04 0.12 0.66 -0.75 4.13 4.11 3n2cL1 VAL 75 HB -0.04 -0.03 0.04 -0.04 2.12 2.05 3n2cL1 VAL 75 HG13 -0.03 0.04 -0.11 -0.04 0.97 0.83 3n2cL1 VAL 75 HG23 -0.01 0.01 0.03 -0.04 0.95 0.93 3n2cL1 ASN 76 H -0.12 0.19 -0.32 -0.55 8.53 7.74 3n2cL1 ASN 76 HA -0.04 0.03 0.54 -0.75 4.76 4.53 3n2cL1 ASN 76 HB2 -0.09 0.12 0.05 -0.04 2.88 2.93 3n2cL1 ASN 76 HB3 -0.13 0.09 0.09 -0.04 2.79 2.80 3n2cL1 ASN 76 HD21 -0.03 0.33 0.14 -0.04 7.03 7.43 3n2cL1 ASN 76 HD22 -0.06 0.13 -0.05 -0.04 7.74 7.71 3n2cL1 ALA 77 H -0.08 0.23 -0.38 -0.55 8.40 7.63 3n2cL1 ALA 77 HA 0.00 0.07 0.08 -0.75 4.34 3.74 3n2cL1 ALA 77 HB3 0.04 0.01 0.02 -0.04 1.41 1.45 3n2cL1 THR 78 H -0.02 0.12 -0.29 -0.55 8.28 7.54 3n2cL1 THR 78 HA 0.01 0.05 0.17 -0.75 4.39 3.87 3n2cL1 THR 78 HB 0.01 -0.05 0.08 -0.04 4.32 4.32 3n2cL1 THR 78 HG23 0.01 0.05 0.04 -0.04 1.22 1.28 3n2cL1 GLN 79 H -0.01 0.17 -0.47 -0.55 8.47 7.61 3n2cL1 GLN 79 HA -0.00 0.03 0.55 -0.75 4.36 4.19 3n2cL1 GLN 79 HB2 -0.01 -0.06 0.03 -0.04 2.15 2.07 3n2cL1 GLN 79 HB3 -0.01 0.03 0.07 -0.04 2.02 2.06 3n2cL1 GLN 79 HG2 -0.01 0.18 -0.12 -0.04 2.40 2.41 3n2cL1 GLN 79 HG3 -0.00 -0.02 -0.19 -0.04 2.39 2.14 3n2cL1 GLN 79 HE21 -0.02 -0.16 0.12 -0.04 6.97 6.87 3n2cL1 GLN 79 HE22 -0.02 0.55 0.26 -0.04 7.69 8.43 3n2cL1 PRO 80 HA 0.01 0.11 0.46 -0.51 4.44 4.51 3n2cL1 PRO 80 HB2 0.00 -0.18 0.05 -0.04 2.28 2.11 3n2cL1 PRO 80 HB3 0.01 0.02 0.15 -0.04 2.02 2.16 3n2cL1 PRO 80 HG2 0.00 0.03 0.11 -0.04 2.03 2.13 3n2cL1 PRO 80 HG3 0.01 0.10 0.12 -0.04 2.03 2.21 3n2cL1 PRO 80 HD2 0.00 0.07 0.20 -0.04 3.68 3.91 3n2cL1 PRO 80 HD3 0.00 0.22 0.24 -0.04 3.65 4.07 3n2cL1 ASN 81 H 0.02 0.16 0.21 -0.55 8.53 8.37 3n2cL1 ASN 81 HA 0.02 0.05 0.44 -0.75 4.76 4.52 3n2cL1 ASN 81 HB2 0.01 -0.07 0.22 -0.04 2.88 3.00 3n2cL1 ASN 81 HB3 0.02 0.07 0.05 -0.04 2.79 2.89 3n2cL1 ASN 81 HD21 0.04 0.15 0.13 -0.04 7.03 7.30 3n2cL1 ASN 81 HD22 0.02 -0.04 0.10 -0.04 7.74 7.77 3n2cL1 ILE 82 H 0.01 0.08 -0.02 -0.55 8.25 7.77 3n2cL1 ILE 82 HA 0.00 0.13 0.47 -0.75 4.18 4.03 3n2cL1 ILE 82 HB 0.00 0.06 0.08 -0.04 1.89 1.99 3n2cL1 ILE 82 HG12 -0.00 -0.01 -0.04 -0.04 1.49 1.39 3n2cL1 ILE 82 HG13 -0.00 0.05 -0.01 -0.04 1.21 1.21 3n2cL1 ILE 82 HG23 0.00 -0.01 0.07 -0.04 0.93 0.96 3n2cL1 ILE 82 HD13 -0.00 0.01 -0.16 -0.04 0.88 0.69 3n2cL1 LEU 83 H -0.00 0.05 -0.21 -0.55 8.37 7.66 3n2cL1 LEU 83 HA -0.01 0.04 0.39 -0.75 4.35 4.03 3n2cL1 LEU 83 HB2 -0.00 -0.00 0.06 -0.04 1.64 1.65 3n2cL1 LEU 83 HB3 -0.01 0.07 -0.07 -0.04 1.64 1.59 3n2cL1 LEU 83 HG -0.00 -0.05 0.02 -0.04 1.64 1.57 3n2cL1 LEU 83 HD13 -0.00 0.00 0.03 -0.04 0.93 0.92 3n2cL1 LEU 83 HD23 -0.01 0.01 0.03 -0.04 0.89 0.88 3n2cL1 ALA 84 H -0.00 0.45 -0.33 -0.55 8.40 7.97 3n2cL1 ALA 84 HA -0.01 0.05 0.53 -0.75 4.34 4.15 3n2cL1 ALA 84 HB3 0.00 0.06 0.01 -0.04 1.41 1.45 3n2cL1 ALA 85 H -0.00 0.30 -0.18 -0.55 8.40 7.97 3n2cL1 ALA 85 HA -0.01 0.07 0.41 -0.75 4.34 4.06 3n2cL1 ALA 85 HB3 -0.00 0.01 0.08 -0.04 1.41 1.46 3n2cL1 ILE 86 H -0.01 0.48 -0.04 -0.55 8.25 8.13 3n2cL1 ILE 86 HA -0.02 0.07 0.45 -0.75 4.18 3.92 3n2cL1 ILE 86 HB -0.01 0.04 0.10 -0.04 1.89 1.97 3n2cL1 ILE 86 HG12 -0.01 0.26 -0.01 -0.04 1.49 1.69 3n2cL1 ILE 86 HG13 -0.01 -0.06 -0.03 -0.04 1.21 1.07 3n2cL1 ILE 86 HG23 -0.02 -0.01 -0.06 -0.04 0.93 0.81 3n2cL1 ILE 86 HD13 -0.01 -0.02 -0.05 -0.04 0.88 0.76 3n2cL1 ARG 87 H -0.02 0.34 -0.27 -0.55 8.46 7.96 3n2cL1 ARG 87 HA -0.03 0.02 0.39 -0.75 4.34 3.97 3n2cL1 ARG 87 HB2 -0.02 0.18 0.14 -0.04 1.90 2.16 3n2cL1 ARG 87 HB3 -0.03 -0.05 0.05 -0.04 1.80 1.74 3n2cL1 ARG 87 HG2 -0.02 -0.06 0.05 -0.04 1.67 1.60 3n2cL1 ARG 87 HG3 -0.02 0.12 0.11 -0.04 1.67 1.84 3n2cL1 ARG 87 HD2 -0.02 0.03 -0.01 -0.04 3.22 3.18 3n2cL1 ARG 87 HD3 -0.02 -0.03 0.00 -0.04 3.22 3.13 3n2cL1 SER 88 H -0.03 0.28 -0.53 -0.55 8.46 7.64 3n2cL1 SER 88 HA -0.07 0.13 0.57 -0.75 4.49 4.36 3n2cL1 SER 88 HB2 -0.05 -0.08 -0.00 -0.04 3.95 3.78 3n2cL1 SER 88 HB3 -0.03 0.06 0.02 -0.04 3.93 3.93 3n2cL1 LEU 89 H -0.04 0.43 -0.35 -0.55 8.37 7.86 3n2cL1 LEU 89 HA -0.05 0.11 0.72 -0.75 4.35 4.38 3n2cL1 LEU 89 HB2 -0.03 0.08 0.08 -0.04 1.64 1.73 3n2cL1 LEU 89 HB3 -0.03 -0.04 0.08 -0.04 1.64 1.60 3n2cL1 LEU 89 HG -0.03 0.16 0.12 -0.04 1.64 1.86 3n2cL1 LEU 89 HD13 -0.03 -0.02 0.03 -0.04 0.93 0.87 3n2cL1 LEU 89 HD23 -0.04 -0.03 -0.12 -0.04 0.89 0.66 3n2cL1 PRO 90 HA -0.04 0.10 0.68 -0.51 4.44 4.67 3n2cL1 PRO 90 HB2 -0.06 0.07 0.02 -0.04 2.28 2.27 3n2cL1 PRO 90 HB3 -0.05 -0.00 0.06 -0.04 2.02 1.99 3n2cL1 PRO 90 HG2 -0.04 0.04 0.08 -0.04 2.03 2.06 3n2cL1 PRO 90 HG3 -0.03 0.01 0.06 -0.04 2.03 2.02 3n2cL1 PRO 90 HD2 -0.04 0.19 0.03 -0.04 3.68 3.81 3n2cL1 PRO 90 HD3 -0.04 0.15 0.07 -0.04 3.65 3.80 3n2cL1 ILE 91 H -0.09 0.27 -0.37 -0.55 8.25 7.50 3n2cL1 ILE 91 HA -0.16 0.04 0.31 -0.75 4.18 3.62 3n2cL1 ILE 91 HB -0.20 0.15 0.10 -0.04 1.89 1.90 3n2cL1 ILE 91 HG12 -0.20 -0.08 -0.03 -0.04 1.49 1.14 3n2cL1 ILE 91 HG13 -0.12 0.07 0.11 -0.04 1.21 1.23 3n2cL1 ILE 91 HG23 -0.71 -0.02 -0.09 -0.04 0.93 0.08 3n2cL1 ILE 91 HD13 -0.14 0.02 -0.08 -0.04 0.88 0.64 3n2cL1 LEU 92 H -0.08 0.54 -0.04 -0.55 8.37 8.25 3n2cL1 LEU 92 HA -0.06 -0.04 0.45 -0.75 4.35 3.95 3n2cL1 LEU 92 HB2 -0.05 0.10 0.22 -0.04 1.64 1.86 3n2cL1 LEU 92 HB3 -0.04 0.09 0.12 -0.04 1.64 1.76 3n2cL1 LEU 92 HG -0.06 0.01 0.07 -0.04 1.64 1.62 3n2cL1 LEU 92 HD13 -0.05 -0.00 -0.10 -0.04 0.93 0.73 3n2cL1 LEU 92 HD23 -0.04 -0.03 -0.04 -0.04 0.89 0.74 3n2cL1 ASP 93 H -0.04 0.35 -0.36 -0.55 8.40 7.80 3n2cL1 ASP 93 HA -0.01 0.04 0.38 -0.75 4.63 4.28 3n2cL1 ASP 93 HB2 -0.03 0.23 0.16 -0.04 2.71 3.03 3n2cL1 ASP 93 HB3 -0.03 0.09 0.05 -0.04 2.70 2.77 3n2cL1 ALA 94 H -0.04 0.35 -0.38 -0.55 8.40 7.79 3n2cL1 ALA 94 HA 0.00 0.05 0.42 -0.75 4.34 4.07 3n2cL1 ALA 94 HB3 -0.03 0.03 0.04 -0.04 1.41 1.41 3n2cL1 MET 95 H -0.00 0.37 -0.29 -0.55 8.47 8.00 3n2cL1 MET 95 HA 0.11 0.03 0.51 -0.75 4.52 4.42 3n2cL1 MET 95 HB2 0.01 0.18 0.09 -0.04 2.15 2.39 3n2cL1 MET 95 HB3 0.04 -0.06 -0.07 -0.04 2.03 1.90 3n2cL1 MET 95 HG2 -0.08 -0.08 -0.06 -0.04 2.63 2.37 3n2cL1 MET 95 HG3 -0.07 0.25 -0.04 -0.04 2.56 2.66 3n2cL1 MET 95 HE3 -0.04 -0.04 -0.13 -0.04 2.10 1.85 3n2cL1 LEU 96 H 0.05 0.36 -0.25 -0.55 8.37 7.99 3n2cL1 LEU 96 HA 0.11 0.31 0.42 -0.75 4.35 4.43 3n2cL1 LEU 96 HB2 0.03 0.01 -0.03 -0.04 1.64 1.61 3n2cL1 LEU 96 HB3 0.02 0.09 -0.01 -0.04 1.64 1.70 3n2cL1 LEU 96 HG 0.01 -0.06 -0.19 -0.04 1.64 1.36 3n2cL1 LEU 96 HD13 0.03 -0.01 -0.15 -0.04 0.93 0.76 3n2cL1 LEU 96 HD23 -0.00 0.00 -0.10 -0.04 0.89 0.74 3n2cL1 SER 97 H 0.05 0.33 -0.34 -0.55 8.46 7.96 3n2cL1 SER 97 HA 0.02 0.09 0.55 -0.75 4.49 4.39 3n2cL1 SER 97 HB2 0.01 -0.01 0.06 -0.04 3.95 3.96 3n2cL1 SER 97 HB3 0.01 0.07 0.04 -0.04 3.93 4.01 3n2cL1 ARG 98 H 0.16 0.22 -0.67 -0.55 8.46 7.62 3n2cL1 ARG 98 HA 0.12 0.14 0.68 -0.75 4.34 4.52 3n2cL1 ARG 98 HB2 0.37 0.12 0.08 -0.04 1.90 2.43 3n2cL1 ARG 98 HB3 0.43 -0.14 0.10 -0.04 1.80 2.15 3n2cL1 ARG 98 HG2 0.14 -0.14 -0.17 -0.04 1.67 1.45 3n2cL1 ARG 98 HG3 0.12 0.19 -0.14 -0.04 1.67 1.80 3n2cL1 ARG 98 HD2 0.27 -0.23 0.02 -0.04 3.22 3.23 3n2cL1 ARG 98 HD3 0.12 0.04 0.06 -0.04 3.22 3.39 3n2cL1 GLY 99 H 0.09 0.32 -0.64 -0.55 8.43 7.66 3n2cL1 GLY 99 HA2 -0.06 0.06 0.16 -0.51 4.01 3.66 3n2cL1 GLY 99 HA3 -0.06 0.02 0.24 -0.51 4.01 3.70 3n2cL1 PHE 100 H 0.34 0.40 -0.28 -0.55 8.34 8.24 3n2cL1 PHE 100 HA 0.19 0.08 0.62 -0.75 4.62 4.76 3n2cL1 PHE 100 HB2 0.09 0.09 -0.08 -0.04 3.15 3.21 3n2cL1 PHE 100 HB3 0.11 -0.01 -0.17 -0.04 3.06 2.95 3n2cL1 PHE 100 HD2 0.12 0.07 -0.28 -0.04 7.28 7.15 3n2cL1 PHE 100 HE2 -0.18 -0.03 -0.21 -0.04 7.38 6.92 3n2cL1 PHE 100 HZ -0.20 -0.04 -0.15 -0.04 7.32 6.89 3n2cL1 THR 101 H 0.13 0.49 0.19 -0.55 8.28 8.54 3n2cL1 THR 101 HA 0.06 0.18 0.81 -0.75 4.39 4.68 3n2cL1 THR 101 HB 0.01 -0.04 0.10 -0.04 4.32 4.35 3n2cL1 THR 101 HG23 -0.03 0.04 -0.22 -0.04 1.22 0.97 3n2cL1 SER 102 H 0.18 0.38 0.20 -0.55 8.46 8.68 3n2cL1 SER 102 HA 0.04 0.27 0.80 -0.75 4.49 4.85 3n2cL1 SER 102 HB2 0.19 -0.01 0.01 -0.04 3.95 4.10 3n2cL1 SER 102 HB3 0.35 0.00 -0.09 -0.04 3.93 4.15 3n2cL1 VAL 103 H 0.03 0.83 0.21 -0.55 8.24 8.76 3n2cL1 VAL 103 HA 0.15 0.17 0.87 -0.75 4.13 4.57 3n2cL1 VAL 103 HB 0.03 -0.08 -0.12 -0.04 2.12 1.91 3n2cL1 VAL 103 HG13 0.02 -0.02 -0.20 -0.04 0.97 0.73 3n2cL1 VAL 103 HG23 -0.01 -0.02 -0.25 -0.04 0.95 0.63 3n2cL1 ARG 104 H 0.11 0.58 0.18 -0.55 8.46 8.78 3n2cL1 ARG 104 HA 0.22 0.20 0.94 -0.75 4.34 4.95 3n2cL1 ARG 104 HB2 0.14 -0.03 -0.04 -0.04 1.90 1.93 3n2cL1 ARG 104 HB3 0.08 0.03 0.13 -0.04 1.80 1.99 3n2cL1 ARG 104 HG2 0.07 0.03 -0.22 -0.04 1.67 1.51 3n2cL1 ARG 104 HG3 0.13 0.07 -0.00 -0.04 1.67 1.83 3n2cL1 ARG 104 HD2 0.13 0.01 -0.14 -0.04 3.22 3.18 3n2cL1 ARG 104 HD3 0.06 -0.03 -0.13 -0.04 3.22 3.08 3n2cL1 ASP 105 H 0.07 0.34 -0.08 -0.55 8.40 8.18 3n2cL1 ASP 105 HA -0.04 -0.01 0.49 -0.75 4.63 4.32 3n2cL1 ASP 105 HB2 0.02 0.01 -0.08 -0.04 2.71 2.62 3n2cL1 ASP 105 HB3 0.03 -0.01 0.04 -0.04 2.70 2.73 3n2cL1 ALA 106 H -0.19 0.63 0.34 -0.55 8.40 8.64 3n2cL1 ALA 106 HA -0.08 0.19 0.40 -0.75 4.34 4.10 3n2cL1 ALA 106 HB3 -0.67 -0.01 0.03 -0.04 1.41 0.73 3n2cL1 GLY 107 H 0.12 -0.03 -0.27 -0.55 8.43 7.70 3n2cL1 GLY 107 HA2 0.06 0.06 0.15 -0.51 4.01 3.78 3n2cL1 GLY 107 HA3 0.10 0.09 0.55 -0.51 4.01 4.24 3n2cL1 GLY 108 H 0.03 0.58 0.26 -0.55 8.43 8.76 3n2cL1 GLY 108 HA2 0.02 0.38 0.51 -0.51 4.01 4.41 3n2cL1 GLY 108 HA3 0.02 0.01 0.81 -0.51 4.01 4.34 3n2cL1 ALA 109 H 0.05 -0.01 -0.23 -0.55 8.40 7.67 3n2cL1 ALA 109 HA 0.03 0.11 0.44 -0.75 4.34 4.16 3n2cL1 ALA 109 HB3 0.02 -0.03 -0.00 -0.04 1.41 1.35 3n2cL1 ASP 110 H 0.04 0.03 0.17 -0.55 8.40 8.09 3n2cL1 ASP 110 HA 0.09 0.24 0.69 -0.75 4.63 4.90 3n2cL1 ASP 110 HB2 0.15 -0.04 0.17 -0.04 2.71 2.94 3n2cL1 ASP 110 HB3 0.08 0.21 0.01 -0.04 2.70 2.95 3n2cL1 TRP 111 H 0.31 0.29 0.08 -0.55 7.97 8.10 3n2cL1 TRP 111 HA -0.01 0.16 0.49 -0.75 4.62 4.51 3n2cL1 TRP 111 HB2 0.00 0.09 0.13 -0.04 3.23 3.42 3n2cL1 TRP 111 HB3 0.00 0.08 0.19 -0.04 3.23 3.47 3n2cL1 TRP 111 HD1 0.00 0.23 0.13 -0.04 7.22 7.54 3n2cL1 TRP 111 HE1 0.00 0.02 0.02 -0.04 10.20 10.19 3n2cL1 TRP 111 HE3 -0.00 -0.08 -0.17 -0.04 7.59 7.30 3n2cL1 TRP 111 HZ2 -0.00 0.01 -0.01 -0.04 7.44 7.40 3n2cL1 TRP 111 HZ3 -0.00 -0.05 -0.03 -0.04 7.13 7.00 3n2cL1 TRP 111 HH2 -0.00 -0.02 -0.01 -0.04 7.19 7.11 3n2cL1 SER 112 H 0.19 0.05 -0.19 -0.55 8.46 7.97 3n2cL1 SER 112 HA -0.25 0.17 0.51 -0.75 4.49 4.17 3n2cL1 SER 112 HB2 0.03 0.00 -0.03 -0.04 3.95 3.91 3n2cL1 SER 112 HB3 0.05 0.06 0.06 -0.04 3.93 4.05 3n2cL1 LEU 113 H -0.03 0.11 -0.21 -0.55 8.37 7.69 3n2cL1 LEU 113 HA -0.09 0.11 0.57 -0.75 4.35 4.19 3n2cL1 LEU 113 HB2 -0.03 -0.03 0.06 -0.04 1.64 1.59 3n2cL1 LEU 113 HB3 -0.06 0.07 -0.11 -0.04 1.64 1.50 3n2cL1 LEU 113 HG -0.02 -0.04 -0.03 -0.04 1.64 1.51 3n2cL1 LEU 113 HD13 -0.02 -0.01 -0.06 -0.04 0.93 0.80 3n2cL1 LEU 113 HD23 -0.05 0.03 -0.04 -0.04 0.89 0.79 3n2cL1 MET 114 H -0.15 0.22 -0.31 -0.55 8.47 7.68 3n2cL1 MET 114 HA -0.18 0.00 0.59 -0.75 4.52 4.18 3n2cL1 MET 114 HB2 -0.13 -0.01 0.10 -0.04 2.15 2.08 3n2cL1 MET 114 HB3 -0.35 0.19 0.16 -0.04 2.03 1.99 3n2cL1 MET 114 HG2 -0.24 -0.06 -0.02 -0.04 2.63 2.27 3n2cL1 MET 114 HG3 -0.21 0.15 0.19 -0.04 2.56 2.65 3n2cL1 MET 114 HE3 -0.01 0.02 0.07 -0.04 2.10 2.13 3n2cL1 GLN 115 H -0.46 0.20 -0.37 -0.55 8.47 7.30 3n2cL1 GLN 115 HA -0.41 0.11 0.49 -0.75 4.36 3.80 3n2cL1 GLN 115 HB2 -0.53 0.07 0.23 -0.04 2.15 1.88 3n2cL1 GLN 115 HB3 -0.38 -0.05 -0.03 -0.04 2.02 1.53 3n2cL1 GLN 115 HG2 -1.88 0.16 0.06 -0.04 2.40 0.70 3n2cL1 GLN 115 HG3 -1.59 -0.06 0.02 -0.04 2.39 0.72 3n2cL1 GLN 115 HE21 -0.12 0.00 -0.00 -0.04 6.97 6.81 3n2cL1 GLN 115 HE22 -0.24 -0.03 -0.01 -0.04 7.69 7.37 3n2cL1 ALA 116 H -0.19 0.34 -0.16 -0.55 8.40 7.84 3n2cL1 ALA 116 HA -0.11 0.02 0.41 -0.75 4.34 3.91 3n2cL1 ALA 116 HB3 -0.08 0.03 0.02 -0.04 1.41 1.33 3n2cL1 VAL 117 H -0.13 0.33 -0.27 -0.55 8.24 7.62 3n2cL1 VAL 117 HA -0.07 0.34 0.59 -0.75 4.13 4.24 3n2cL1 VAL 117 HB -0.08 0.07 -0.15 -0.04 2.12 1.92 3n2cL1 VAL 117 HG13 -0.07 0.03 -0.19 -0.04 0.97 0.69 3n2cL1 VAL 117 HG23 -0.13 0.03 0.08 -0.04 0.95 0.89 3n2cL1 GLU 118 H -0.14 0.26 -0.32 -0.55 8.60 7.86 3n2cL1 GLU 118 HA -0.08 0.18 0.72 -0.75 4.29 4.35 3n2cL1 GLU 118 HB2 -0.15 0.11 0.14 -0.04 2.09 2.15 3n2cL1 GLU 118 HB3 -0.09 -0.04 0.16 -0.04 1.99 1.98 3n2cL1 GLU 118 HG2 -0.11 -0.01 -0.02 -0.04 2.34 2.16 3n2cL1 GLU 118 HG3 -0.16 0.06 0.08 -0.04 2.34 2.28 3n2cL1 THR 119 H -0.10 0.10 -0.32 -0.55 8.28 7.41 3n2cL1 THR 119 HA -0.05 0.20 0.82 -0.75 4.39 4.60 3n2cL1 THR 119 HB -0.05 -0.06 0.14 -0.04 4.32 4.31 3n2cL1 THR 119 HG23 -0.08 -0.01 -0.06 -0.04 1.22 1.03 3n2cL1 GLY 120 H -0.06 0.14 -0.22 -0.55 8.43 7.74 3n2cL1 GLY 120 HA2 -0.04 0.12 0.27 -0.51 4.01 3.85 3n2cL1 GLY 120 HA3 -0.03 0.04 0.27 -0.51 4.01 3.78 3n2cL1 LEU 121 H -0.06 0.29 -0.02 -0.55 8.37 8.04 3n2cL1 LEU 121 HA -0.03 0.10 0.64 -0.75 4.35 4.31 3n2cL1 LEU 121 HB2 -0.06 0.01 0.07 -0.04 1.64 1.62 3n2cL1 LEU 121 HB3 -0.05 -0.06 -0.03 -0.04 1.64 1.46 3n2cL1 LEU 121 HG -0.03 -0.01 0.09 -0.04 1.64 1.65 3n2cL1 LEU 121 HD13 -0.03 0.01 -0.03 -0.04 0.93 0.84 3n2cL1 LEU 121 HD23 -0.04 -0.02 -0.02 -0.04 0.89 0.77 3n2cL1 VAL 122 H -0.05 0.46 -0.07 -0.55 8.24 8.03 3n2cL1 VAL 122 HA -0.03 0.07 0.49 -0.75 4.13 3.91 3n2cL1 VAL 122 HB -0.05 -0.13 -0.24 -0.04 2.12 1.66 3n2cL1 VAL 122 HG13 -0.05 0.02 -0.28 -0.04 0.97 0.62 3n2cL1 VAL 122 HG23 -0.03 0.03 0.02 -0.04 0.95 0.93 3n2cL1 SER 123 H -0.03 0.10 0.07 -0.55 8.46 8.06 3n2cL1 SER 123 HA -0.03 0.19 0.69 -0.75 4.49 4.59 3n2cL1 SER 123 HB2 -0.02 0.01 0.03 -0.04 3.95 3.93 3n2cL1 SER 123 HB3 -0.02 -0.04 0.06 -0.04 3.93 3.88 3n2cL1 GLY 124 H -0.02 0.34 0.19 -0.55 8.43 8.40 3n2cL1 GLY 124 HA2 -0.01 0.14 0.18 -0.51 4.01 3.81 3n2cL1 GLY 124 HA3 -0.03 0.03 0.38 -0.51 4.01 3.88 3n2cL1 PRO 125 HA 0.01 0.17 0.54 -0.51 4.44 4.66 3n2cL1 PRO 125 HB2 0.03 -0.01 -0.51 -0.04 2.28 1.76 3n2cL1 PRO 125 HB3 0.10 0.10 -0.55 -0.04 2.02 1.63 3n2cL1 PRO 125 HG2 -0.00 -0.06 -0.16 -0.04 2.03 1.77 3n2cL1 PRO 125 HG3 0.05 -0.04 -0.20 -0.04 2.03 1.79 3n2cL1 PRO 125 HD2 -0.01 0.04 0.21 -0.04 3.68 3.88 3n2cL1 PRO 125 HD3 0.04 0.13 0.02 -0.04 3.65 3.80 3n2cL1 ARG 126 H -0.05 0.62 0.23 -0.55 8.46 8.71 3n2cL1 ARG 126 HA -0.15 0.06 0.60 -0.75 4.34 4.10 3n2cL1 ARG 126 HB2 -0.12 0.04 0.13 -0.04 1.90 1.91 3n2cL1 ARG 126 HB3 -0.14 0.00 0.23 -0.04 1.80 1.85 3n2cL1 ARG 126 HG2 -0.61 0.04 -0.28 -0.04 1.67 0.78 3n2cL1 ARG 126 HG3 -0.25 0.01 0.04 -0.04 1.67 1.44 3n2cL1 ARG 126 HD2 -0.25 0.03 -0.05 -0.04 3.22 2.92 3n2cL1 ARG 126 HD3 -0.10 0.01 0.01 -0.04 3.22 3.09 3n2cL1 ILE 127 H -0.24 0.16 0.16 -0.55 8.25 7.79 3n2cL1 ILE 127 HA -0.15 0.15 0.70 -0.75 4.18 4.12 3n2cL1 ILE 127 HB -0.11 -0.02 -0.07 -0.04 1.89 1.65 3n2cL1 ILE 127 HG12 -0.07 0.02 -0.32 -0.04 1.49 1.08 3n2cL1 ILE 127 HG13 -0.12 0.10 -0.05 -0.04 1.21 1.10 3n2cL1 ILE 127 HG23 -0.02 -0.05 -0.22 -0.04 0.93 0.60 3n2cL1 ILE 127 HD13 -0.06 -0.05 -0.27 -0.04 0.88 0.45 3n2cL1 PHE 128 H 0.04 0.49 0.26 -0.55 8.34 8.58 3n2cL1 PHE 128 HA 0.02 0.24 0.85 -0.75 4.62 4.98 3n2cL1 PHE 128 HB2 0.03 -0.09 0.29 -0.04 3.15 3.33 3n2cL1 PHE 128 HB3 0.03 0.04 0.06 -0.04 3.06 3.15 3n2cL1 PHE 128 HD2 0.04 0.01 -0.11 -0.04 7.28 7.18 3n2cL1 PHE 128 HE2 0.03 -0.03 -0.09 -0.04 7.38 7.26 3n2cL1 PHE 128 HZ 0.03 -0.03 -0.08 -0.04 7.32 7.19 3n2cL1 PRO 129 HA 0.06 -0.05 0.33 -0.51 4.44 4.27 3n2cL1 PRO 129 HB2 0.08 -0.03 -0.11 -0.04 2.28 2.18 3n2cL1 PRO 129 HB3 0.05 0.06 -0.20 -0.04 2.02 1.89 3n2cL1 PRO 129 HG2 0.13 0.08 0.02 -0.04 2.03 2.22 3n2cL1 PRO 129 HG3 0.10 0.05 -0.19 -0.04 2.03 1.95 3n2cL1 PRO 129 HD2 0.15 0.13 0.19 -0.04 3.68 4.11 3n2cL1 PRO 129 HD3 0.02 0.34 -0.12 -0.04 3.65 3.85 3n2cL1 SER 130 H 0.04 0.11 0.13 -0.55 8.46 8.19 3n2cL1 SER 130 HA -0.00 0.40 0.84 -0.75 4.49 4.98 3n2cL1 SER 130 HB2 0.03 -0.11 -0.27 -0.04 3.95 3.56 3n2cL1 SER 130 HB3 0.01 -0.06 -0.14 -0.04 3.93 3.70 3n2cL1 GLY 131 H 0.05 0.12 -0.04 -0.55 8.43 8.01 3n2cL1 GLY 131 HA2 0.05 -0.03 0.17 -0.51 4.01 3.70 3n2cL1 GLY 131 HA3 0.03 0.13 0.70 -0.51 4.01 4.36 3n2cL1 LYS 132 H 0.02 0.20 0.08 -0.55 8.42 8.16 3n2cL1 LYS 132 HA 0.02 0.16 0.76 -0.75 4.32 4.51 3n2cL1 LYS 132 HB2 -0.00 -0.08 -0.17 -0.04 1.87 1.58 3n2cL1 LYS 132 HB3 -0.00 -0.04 -0.38 -0.04 1.79 1.33 3n2cL1 LYS 132 HG2 0.02 -0.14 -0.25 -0.04 1.46 1.04 3n2cL1 LYS 132 HG3 -0.00 -0.04 -0.13 -0.04 1.46 1.25 3n2cL1 LYS 132 HD2 0.01 0.12 -0.23 -0.04 1.69 1.55 3n2cL1 LYS 132 HD3 0.02 0.01 -0.12 -0.04 1.68 1.55 3n2cL1 LYS 132 HE2 0.04 -0.15 -0.09 -0.04 2.99 2.74 3n2cL1 LYS 132 HE3 0.02 -0.00 0.02 -0.04 2.99 2.98 3n2cL1 ALA 133 H 0.01 0.51 0.38 -0.55 8.40 8.75 3n2cL1 ALA 133 HA 0.03 0.18 0.61 -0.75 4.34 4.41 3n2cL1 ALA 133 HB3 0.03 0.01 0.02 -0.04 1.41 1.43 3n2cL1 LEU 134 H 0.05 0.29 0.22 -0.55 8.37 8.38 3n2cL1 LEU 134 HA 0.05 0.19 0.90 -0.75 4.35 4.74 3n2cL1 LEU 134 HB2 0.03 -0.01 0.19 -0.04 1.64 1.80 3n2cL1 LEU 134 HB3 0.09 -0.04 0.02 -0.04 1.64 1.66 3n2cL1 LEU 134 HG 0.00 0.12 0.02 -0.04 1.64 1.74 3n2cL1 LEU 134 HD13 -0.04 -0.00 -0.05 -0.04 0.93 0.79 3n2cL1 LEU 134 HD23 0.01 0.01 -0.17 -0.04 0.89 0.70 3n2cL1 SER 135 H 0.05 0.69 0.38 -0.55 8.46 9.04 3n2cL1 SER 135 HA 0.03 0.10 0.99 -0.75 4.49 4.87 3n2cL1 SER 135 HB2 -0.09 0.04 -0.16 -0.04 3.95 3.70 3n2cL1 SER 135 HB3 -0.11 0.13 -0.11 -0.04 3.93 3.80 3n2cL1 GLN 136 H -0.49 0.11 0.16 -0.55 8.47 7.71 3n2cL1 GLN 136 HA -0.27 0.26 0.65 -0.75 4.36 4.25 3n2cL1 GLN 136 HB2 -0.30 -0.02 0.15 -0.04 2.15 1.94 3n2cL1 GLN 136 HB3 -1.04 -0.00 0.14 -0.04 2.02 1.08 3n2cL1 GLN 136 HG2 -0.40 0.04 0.07 -0.04 2.40 2.07 3n2cL1 GLN 136 HG3 -0.22 -0.03 -0.29 -0.04 2.39 1.80 3n2cL1 GLN 136 HE21 -0.07 0.05 -0.05 -0.04 6.97 6.85 3n2cL1 GLN 136 HE22 -0.10 0.06 -0.27 -0.04 7.69 7.34 3n2cL1 THR 137 H -0.12 0.11 0.06 -0.55 8.28 7.78 3n2cL1 THR 137 HA -0.09 0.05 0.49 -0.75 4.39 4.09 3n2cL1 THR 137 HB -0.06 -0.01 0.10 -0.04 4.32 4.31 3n2cL1 THR 137 HG23 -0.04 0.03 -0.12 -0.04 1.22 1.04 3n2cL1 GLY 138 H -0.08 0.13 0.15 -0.55 8.43 8.08 3n2cL1 GLY 138 HA2 -0.05 0.06 0.29 -0.51 4.01 3.81 3n2cL1 GLY 138 HA3 -0.05 0.12 0.49 -0.51 4.01 4.06 3n2cL1 GLY 139 H -0.12 0.30 -0.42 -0.55 8.43 7.65 3n2cL1 GLY 139 HA2 -0.06 0.17 0.27 -0.51 4.01 3.88 3n2cL1 GLY 139 HA3 -0.12 -0.07 0.27 -0.51 4.01 3.57 3n2cL1 HIS 140 H 0.02 0.20 0.13 -0.55 8.41 8.22 3n2cL1 HIS 140 HA -0.09 0.11 0.31 -0.75 4.63 4.20 3n2cL1 HIS 140 HB2 -0.09 0.19 0.12 -0.04 3.26 3.45 3n2cL1 HIS 140 HB3 -0.17 0.01 0.06 -0.04 3.20 3.07 3n2cL1 HIS 140 HD2 -1.13 0.08 -0.07 -0.04 6.97 5.81 3n2cL1 HIS 140 HE1 0.06 -0.36 0.08 -0.04 7.75 7.49 3n2cL1 GLY 141 H -0.20 -0.02 -0.30 -0.55 8.43 7.37 3n2cL1 GLY 141 HA2 -0.74 0.20 0.66 -0.51 4.01 3.62 3n2cL1 GLY 141 HA3 -0.35 0.01 0.13 -0.51 4.01 3.29 3n2cL1 ASP 142 H -0.30 0.18 -0.43 -0.55 8.40 7.29 3n2cL1 ASP 142 HA -0.28 0.07 0.62 -0.75 4.63 4.28 3n2cL1 ASP 142 HB2 -0.15 -0.03 0.07 -0.04 2.71 2.55 3n2cL1 ASP 142 HB3 -0.12 0.15 0.05 -0.04 2.70 2.74 3n2cL1 PHE 143 H -0.14 0.19 0.08 -0.55 8.34 7.92 3n2cL1 PHE 143 HA -0.02 0.20 0.73 -0.75 4.62 4.77 3n2cL1 PHE 143 HB2 -0.03 0.03 0.06 -0.04 3.15 3.17 3n2cL1 PHE 143 HB3 -0.02 -0.07 0.16 -0.04 3.06 3.09 3n2cL1 PHE 143 HD2 -0.04 0.03 -0.10 -0.04 7.28 7.13 3n2cL1 PHE 143 HE2 -0.11 -0.06 -0.13 -0.04 7.38 7.03 3n2cL1 PHE 143 HZ -0.18 -0.01 -0.07 -0.04 7.32 7.02 3n2cL1 ARG 144 H 0.01 -0.02 -0.30 -0.55 8.46 7.60 3n2cL1 ARG 144 HA 0.05 0.13 0.52 -0.75 4.34 4.29 3n2cL1 ARG 144 HB2 -0.01 -0.09 0.04 -0.04 1.90 1.81 3n2cL1 ARG 144 HB3 0.01 0.17 0.04 -0.04 1.80 1.97 3n2cL1 ARG 144 HG2 0.02 0.06 0.05 -0.04 1.67 1.75 3n2cL1 ARG 144 HG3 0.01 -0.14 0.01 -0.04 1.67 1.51 3n2cL1 ARG 144 HD2 -0.01 0.06 0.06 -0.04 3.22 3.30 3n2cL1 ARG 144 HD3 -0.01 0.05 0.06 -0.04 3.22 3.28 3n2cL1 PRO 145 HA 0.03 0.15 0.47 -0.51 4.44 4.58 3n2cL1 PRO 145 HB2 0.01 -0.09 0.10 -0.04 2.28 2.26 3n2cL1 PRO 145 HB3 0.02 0.09 0.13 -0.04 2.02 2.22 3n2cL1 PRO 145 HG2 0.01 -0.06 0.07 -0.04 2.03 2.01 3n2cL1 PRO 145 HG3 0.02 0.08 0.10 -0.04 2.03 2.18 3n2cL1 PRO 145 HD2 0.02 0.09 0.24 -0.04 3.68 3.99 3n2cL1 PRO 145 HD3 0.03 0.20 0.23 -0.04 3.65 4.06 3n2cL1 ARG 146 H 0.01 0.15 0.10 -0.55 8.46 8.17 3n2cL1 ARG 146 HA 0.01 0.15 0.39 -0.75 4.34 4.13 3n2cL1 ARG 146 HB2 0.01 0.00 0.08 -0.04 1.90 1.95 3n2cL1 ARG 146 HB3 0.01 -0.00 0.06 -0.04 1.80 1.82 3n2cL1 ARG 146 HG2 0.00 0.00 0.09 -0.04 1.67 1.72 3n2cL1 ARG 146 HG3 0.00 0.02 0.06 -0.04 1.67 1.71 3n2cL1 ARG 146 HD2 0.01 -0.01 0.01 -0.04 3.22 3.19 3n2cL1 ARG 146 HD3 0.00 -0.01 0.02 -0.04 3.22 3.19 3n2cL1 GLY 147 H 0.01 -0.02 -0.64 -0.55 8.43 7.23 3n2cL1 GLY 147 HA2 0.00 0.09 0.45 -0.51 4.01 4.05 3n2cL1 GLY 147 HA3 0.01 -0.04 0.27 -0.51 4.01 3.75 3n2cL1 ASP 148 H 0.00 0.19 0.08 -0.55 8.40 8.12 3n2cL1 ASP 148 HA 0.00 0.18 0.60 -0.75 4.63 4.65 3n2cL1 ASP 148 HB2 0.00 -0.05 -0.10 -0.04 2.71 2.52 3n2cL1 ASP 148 HB3 0.00 -0.02 -0.12 -0.04 2.70 2.52 3n2cL1 LEU 149 H -0.00 0.21 0.05 -0.55 8.37 8.07 3n2cL1 LEU 149 HA -0.00 0.21 1.00 -0.75 4.35 4.80 3n2cL1 LEU 149 HB2 -0.01 -0.01 0.12 -0.04 1.64 1.70 3n2cL1 LEU 149 HB3 -0.01 -0.00 -0.06 -0.04 1.64 1.52 3n2cL1 LEU 149 HG -0.01 0.00 -0.30 -0.04 1.64 1.29 3n2cL1 LEU 149 HD13 -0.02 -0.01 -0.08 -0.04 0.93 0.78 3n2cL1 LEU 149 HD23 -0.01 0.03 -0.11 -0.04 0.89 0.76 3n2cL1 LEU 150 H -0.00 0.22 0.07 -0.55 8.37 8.11 3n2cL1 LEU 150 HA -0.00 0.17 0.78 -0.75 4.35 4.54 3n2cL1 LEU 150 HB2 0.00 -0.00 0.04 -0.04 1.64 1.64 3n2cL1 LEU 150 HB3 0.00 0.04 0.00 -0.04 1.64 1.64 3n2cL1 LEU 150 HG 0.00 -0.02 -0.15 -0.04 1.64 1.42 3n2cL1 LEU 150 HD13 0.00 0.01 -0.03 -0.04 0.93 0.87 3n2cL1 LEU 150 HD23 0.00 0.02 0.07 -0.04 0.89 0.94 3n2cL1 GLU 151 H -0.01 0.12 0.08 -0.55 8.60 8.25 3n2cL1 GLU 151 HA -0.02 0.11 0.23 -0.75 4.29 3.85 3n2cL1 GLU 151 HB2 -0.01 -0.02 0.14 -0.04 2.09 2.16 3n2cL1 GLU 151 HB3 -0.02 0.04 -0.06 -0.04 1.99 1.91 3n2cL1 GLU 151 HG2 -0.02 0.03 -0.01 -0.04 2.34 2.30 3n2cL1 GLU 151 HG3 -0.01 -0.03 0.01 -0.04 2.34 2.27 3n2cL1 PRO 152 HA -0.02 0.10 0.78 -0.51 4.44 4.79 3n2cL1 PRO 152 HB2 -0.05 -0.04 0.12 -0.04 2.28 2.26 3n2cL1 PRO 152 HB3 -0.02 0.09 0.10 -0.04 2.02 2.14 3n2cL1 PRO 152 HG2 -0.05 -0.02 0.13 -0.04 2.03 2.06 3n2cL1 PRO 152 HG3 -0.03 0.10 0.12 -0.04 2.03 2.18 3n2cL1 PRO 152 HD2 -0.05 0.07 0.15 -0.04 3.68 3.82 3n2cL1 PRO 152 HD3 -0.03 0.18 0.19 -0.04 3.65 3.95 3n2cL1 CYS 153 H -0.03 0.34 0.12 -0.55 8.50 8.37 3n2cL1 CYS 153 HA -0.17 0.13 0.54 -0.75 4.58 4.33 3n2cL1 CYS 153 HB2 -0.03 0.04 0.12 -0.04 2.97 3.06 3n2cL1 CYS 153 HB3 -0.01 0.05 0.09 -0.04 2.97 3.06 3n2cL1 SER 154 H -0.08 0.09 -0.19 -0.55 8.46 7.73 3n2cL1 SER 154 HA -0.41 0.07 0.67 -0.75 4.49 4.06 3n2cL1 SER 154 HB2 0.09 0.03 0.11 -0.04 3.95 4.14 3n2cL1 SER 154 HB3 0.15 0.05 0.05 -0.04 3.93 4.14 3n2cL1 CYS 155 H -0.22 0.30 -0.65 -0.55 8.50 7.38 3n2cL1 CYS 155 HA -0.07 0.08 0.51 -0.75 4.58 4.35 3n2cL1 CYS 155 HB2 -0.15 0.08 0.12 -0.04 2.97 2.98 3n2cL1 CYS 155 HB3 -0.09 -0.03 0.07 -0.04 2.97 2.87 3n2cL1 CYS 156 H -0.39 0.10 -0.18 -0.55 8.50 7.48 3n2cL1 CYS 156 HA -0.04 0.28 0.78 -0.75 4.58 4.86 3n2cL1 CYS 156 HB2 -0.31 -0.01 0.06 -0.04 2.97 2.67 3n2cL1 CYS 156 HB3 0.05 0.03 -0.06 -0.04 2.97 2.95 3n2cL1 PHE 157 H -0.30 -0.11 -0.14 -0.55 8.34 7.24 3n2cL1 PHE 157 HA 0.01 0.12 0.21 -0.75 4.62 4.20 3n2cL1 PHE 157 HB2 0.01 -0.06 0.07 -0.04 3.15 3.12 3n2cL1 PHE 157 HB3 0.01 -0.00 0.08 -0.04 3.06 3.10 3n2cL1 PHE 157 HD2 0.00 -0.01 -0.15 -0.04 7.28 7.08 3n2cL1 PHE 157 HE2 0.00 -0.03 -0.06 -0.04 7.38 7.26 3n2cL1 PHE 157 HZ -0.00 -0.02 0.00 -0.04 7.32 7.26 3n2cL1 ARG 158 H 0.06 0.40 -0.20 -0.55 8.46 8.17 3n2cL1 ARG 158 HA 0.07 0.00 0.81 -0.75 4.34 4.47 3n2cL1 ARG 158 HB2 0.03 -0.00 0.09 -0.04 1.90 1.98 3n2cL1 ARG 158 HB3 0.04 0.18 0.08 -0.04 1.80 2.05 3n2cL1 ARG 158 HG2 0.04 0.16 0.08 -0.04 1.67 1.92 3n2cL1 ARG 158 HG3 0.03 -0.03 -0.05 -0.04 1.67 1.59 3n2cL1 ARG 158 HD2 0.07 -0.01 -0.07 -0.04 3.22 3.17 3n2cL1 ARG 158 HD3 0.07 -0.11 -0.05 -0.04 3.22 3.09 3n2cL1 THR 159 H 0.04 0.07 0.18 -0.55 8.28 8.03 3n2cL1 THR 159 HA 0.04 0.22 0.45 -0.75 4.39 4.35 3n2cL1 THR 159 HB 0.03 0.01 0.05 -0.04 4.32 4.37 3n2cL1 THR 159 HG23 0.05 0.01 0.03 -0.04 1.22 1.27 3n2cL1 GLY 160 H 0.02 0.04 -0.08 -0.55 8.43 7.87 3n2cL1 GLY 160 HA2 0.00 0.06 0.47 -0.51 4.01 4.03 3n2cL1 GLY 160 HA3 0.00 0.19 0.37 -0.51 4.01 4.07 3n2cL1 ALA 161 H 0.02 0.19 -0.61 -0.55 8.40 7.45 3n2cL1 ALA 161 HA 0.05 -0.07 0.59 -0.75 4.34 4.16 3n2cL1 ALA 161 HB3 0.03 0.05 0.08 -0.04 1.41 1.53 3n2cL1 ILE 162 H 0.10 -0.00 0.16 -0.55 8.25 7.96 3n2cL1 ILE 162 HA -0.02 0.17 0.31 -0.75 4.18 3.88 3n2cL1 ILE 162 HB 0.04 -0.07 0.01 -0.04 1.89 1.83 3n2cL1 ILE 162 HG12 -0.00 0.02 0.03 -0.04 1.49 1.50 3n2cL1 ILE 162 HG13 -0.14 -0.08 -0.04 -0.04 1.21 0.91 3n2cL1 ILE 162 HG23 -0.31 0.03 -0.17 -0.04 0.93 0.45 3n2cL1 ILE 162 HD13 -0.13 0.03 -0.24 -0.04 0.88 0.50 3n2cL1 ALA 163 H 0.02 0.01 0.08 -0.55 8.40 7.97 3n2cL1 ALA 163 HA -0.02 0.03 0.97 -0.75 4.34 4.57 3n2cL1 ALA 163 HB3 -0.13 0.01 -0.02 -0.04 1.41 1.23 3n2cL1 ARG 164 H -0.04 0.55 0.26 -0.55 8.46 8.67 3n2cL1 ARG 164 HA -0.07 0.08 0.40 -0.75 4.34 3.99 3n2cL1 ARG 164 HB2 -0.05 -0.08 -0.10 -0.04 1.90 1.63 3n2cL1 ARG 164 HB3 -0.04 0.25 -0.12 -0.04 1.80 1.84 3n2cL1 ARG 164 HG2 -0.01 0.13 -0.25 -0.04 1.67 1.50 3n2cL1 ARG 164 HG3 -0.01 -0.14 -0.14 -0.04 1.67 1.34 3n2cL1 ARG 164 HD2 -0.02 0.05 -0.15 -0.04 3.22 3.06 3n2cL1 ARG 164 HD3 -0.01 0.04 -0.14 -0.04 3.22 3.07 3n2cL1 VAL 165 H -0.07 0.18 0.05 -0.55 8.24 7.85 3n2cL1 VAL 165 HA -0.06 0.28 0.69 -0.75 4.13 4.29 3n2cL1 VAL 165 HB -0.07 0.03 0.15 -0.04 2.12 2.18 3n2cL1 VAL 165 HG13 -0.07 -0.01 -0.29 -0.04 0.97 0.56 3n2cL1 VAL 165 HG23 -0.11 -0.01 -0.16 -0.04 0.95 0.63 3n2cL1 VAL 166 H 0.02 0.62 0.28 -0.55 8.24 8.61 3n2cL1 VAL 166 HA 0.01 0.13 0.86 -0.75 4.13 4.36 3n2cL1 VAL 166 HB 0.04 -0.02 -0.21 -0.04 2.12 1.89 3n2cL1 VAL 166 HG13 -0.01 0.00 -0.20 -0.04 0.97 0.73 3n2cL1 VAL 166 HG23 0.08 0.01 -0.05 -0.04 0.95 0.94 3n2cL1 ASP 167 H 0.02 0.23 0.15 -0.55 8.40 8.25 3n2cL1 ASP 167 HA 0.11 0.16 0.93 -0.75 4.63 5.08 3n2cL1 ASP 167 HB2 0.00 0.06 0.04 -0.04 2.71 2.77 3n2cL1 ASP 167 HB3 0.01 -0.04 0.11 -0.04 2.70 2.74 3n2cL1 GLY 168 H 0.08 0.08 0.12 -0.55 8.43 8.17 3n2cL1 GLY 168 HA2 0.04 0.03 0.44 -0.51 4.01 4.00 3n2cL1 GLY 168 HA3 0.03 0.16 0.55 -0.51 4.01 4.24 3n2cL1 VAL 169 H 0.02 0.19 0.16 -0.55 8.24 8.06 3n2cL1 VAL 169 HA 0.00 0.12 0.34 -0.75 4.13 3.83 3n2cL1 VAL 169 HB 0.01 0.03 0.07 -0.04 2.12 2.18 3n2cL1 VAL 169 HG13 -0.01 0.06 -0.06 -0.04 0.97 0.93 3n2cL1 VAL 169 HG23 0.02 -0.02 -0.05 -0.04 0.95 0.85 3n2cL1 GLU 170 H 0.01 0.05 -0.06 -0.55 8.60 8.05 3n2cL1 GLU 170 HA -0.00 0.20 0.62 -0.75 4.29 4.35 3n2cL1 GLU 170 HB2 0.00 -0.02 0.04 -0.04 2.09 2.07 3n2cL1 GLU 170 HB3 0.00 0.09 0.04 -0.04 1.99 2.08 3n2cL1 GLU 170 HG2 0.00 -0.12 0.01 -0.04 2.34 2.19 3n2cL1 GLU 170 HG3 0.00 0.05 0.01 -0.04 2.34 2.37 3n2cL1 GLY 171 H 0.01 -0.00 -0.34 -0.55 8.43 7.55 3n2cL1 GLY 171 HA2 0.00 0.09 0.46 -0.51 4.01 4.05 3n2cL1 GLY 171 HA3 0.01 0.24 0.31 -0.51 4.01 4.06 3n2cL1 VAL 172 H 0.01 0.51 -0.19 -0.55 8.24 8.02 3n2cL1 VAL 172 HA 0.00 0.07 0.41 -0.75 4.13 3.86 3n2cL1 VAL 172 HB -0.09 0.03 -0.04 -0.04 2.12 1.98 3n2cL1 VAL 172 HG13 0.08 -0.00 -0.26 -0.04 0.97 0.75 3n2cL1 VAL 172 HG23 -0.06 0.03 -0.07 -0.04 0.95 0.82 3n2cL1 ARG 173 H -0.01 0.24 -0.37 -0.55 8.46 7.77 3n2cL1 ARG 173 HA -0.03 0.10 0.36 -0.75 4.34 4.02 3n2cL1 ARG 173 HB2 -0.02 0.10 0.13 -0.04 1.90 2.07 3n2cL1 ARG 173 HB3 -0.01 0.05 0.11 -0.04 1.80 1.90 3n2cL1 ARG 173 HG2 -0.01 0.01 -0.22 -0.04 1.67 1.41 3n2cL1 ARG 173 HG3 -0.02 0.04 -0.00 -0.04 1.67 1.65 3n2cL1 ARG 173 HD2 -0.01 -0.03 -0.02 -0.04 3.22 3.12 3n2cL1 ARG 173 HD3 -0.01 0.03 -0.03 -0.04 3.22 3.17 3n2cL1 LEU 174 H -0.01 0.32 -0.28 -0.55 8.37 7.85 3n2cL1 LEU 174 HA -0.01 0.07 0.45 -0.75 4.35 4.11 3n2cL1 LEU 174 HB2 -0.00 0.03 0.11 -0.04 1.64 1.73 3n2cL1 LEU 174 HB3 -0.00 0.14 0.11 -0.04 1.64 1.85 3n2cL1 LEU 174 HG -0.00 -0.03 -0.14 -0.04 1.64 1.43 3n2cL1 LEU 174 HD13 -0.00 -0.00 0.00 -0.04 0.93 0.89 3n2cL1 LEU 174 HD23 -0.00 -0.01 -0.03 -0.04 0.89 0.82 3n2cL1 ALA 175 H -0.01 0.27 -0.31 -0.55 8.40 7.81 3n2cL1 ALA 175 HA -0.01 0.01 0.34 -0.75 4.34 3.92 3n2cL1 ALA 175 HB3 -0.01 0.03 0.05 -0.04 1.41 1.45 3n2cL1 VAL 176 H -0.02 0.50 -0.20 -0.55 8.24 7.97 3n2cL1 VAL 176 HA -0.02 0.06 0.42 -0.75 4.13 3.83 3n2cL1 VAL 176 HB -0.03 0.10 0.07 -0.04 2.12 2.22 3n2cL1 VAL 176 HG13 -0.03 0.02 -0.19 -0.04 0.97 0.73 3n2cL1 VAL 176 HG23 -0.05 0.06 0.05 -0.04 0.95 0.97 3n2cL1 ARG 177 H -0.02 0.36 -0.21 -0.55 8.46 8.03 3n2cL1 ARG 177 HA -0.02 0.09 0.39 -0.75 4.34 4.05 3n2cL1 ARG 177 HB2 -0.02 0.06 0.14 -0.04 1.90 2.05 3n2cL1 ARG 177 HB3 -0.02 -0.04 -0.01 -0.04 1.80 1.69 3n2cL1 ARG 177 HG2 -0.02 0.02 0.01 -0.04 1.67 1.64 3n2cL1 ARG 177 HG3 -0.02 0.06 0.04 -0.04 1.67 1.71 3n2cL1 ARG 177 HD2 -0.01 -0.01 -0.14 -0.04 3.22 3.02 3n2cL1 ARG 177 HD3 -0.01 -0.05 -0.03 -0.04 3.22 3.09 3n2cL1 GLU 178 H -0.01 0.55 -0.19 -0.55 8.60 8.40 3n2cL1 GLU 178 HA -0.02 0.01 0.45 -0.75 4.29 3.98 3n2cL1 GLU 178 HB2 -0.01 0.13 0.18 -0.04 2.09 2.35 3n2cL1 GLU 178 HB3 -0.00 -0.05 -0.04 -0.04 1.99 1.86 3n2cL1 GLU 178 HG2 0.00 -0.04 0.01 -0.04 2.34 2.26 3n2cL1 GLU 178 HG3 -0.01 0.07 0.00 -0.04 2.34 2.36 3n2cL1 GLU 179 H -0.01 0.53 -0.14 -0.55 8.60 8.43 3n2cL1 GLU 179 HA -0.00 -0.04 0.34 -0.75 4.29 3.84 3n2cL1 GLU 179 HB2 -0.01 0.12 0.15 -0.04 2.09 2.31 3n2cL1 GLU 179 HB3 -0.00 0.05 0.10 -0.04 1.99 2.10 3n2cL1 GLU 179 HG2 -0.01 0.18 0.08 -0.04 2.34 2.56 3n2cL1 GLU 179 HG3 -0.00 0.07 0.07 -0.04 2.34 2.43 3n2cL1 ILE 180 H -0.02 0.41 -0.27 -0.55 8.25 7.82 3n2cL1 ILE 180 HA -0.02 0.14 0.53 -0.75 4.18 4.08 3n2cL1 ILE 180 HB -0.03 0.03 0.11 -0.04 1.89 1.96 3n2cL1 ILE 180 HG12 -0.02 0.12 -0.08 -0.04 1.49 1.46 3n2cL1 ILE 180 HG13 -0.03 -0.08 -0.15 -0.04 1.21 0.91 3n2cL1 ILE 180 HG23 -0.02 0.01 -0.12 -0.04 0.93 0.76 3n2cL1 ILE 180 HD13 -0.03 -0.02 -0.16 -0.04 0.88 0.63 3n2cL1 GLN 181 H -0.05 0.42 -0.11 -0.55 8.47 8.19 3n2cL1 GLN 181 HA -0.10 0.12 0.58 -0.75 4.36 4.20 3n2cL1 GLN 181 HB2 -0.08 -0.06 0.10 -0.04 2.15 2.08 3n2cL1 GLN 181 HB3 -0.05 0.10 0.14 -0.04 2.02 2.16 3n2cL1 GLN 181 HG2 -0.04 -0.06 0.02 -0.04 2.40 2.27 3n2cL1 GLN 181 HG3 -0.06 0.13 -0.12 -0.04 2.39 2.31 3n2cL1 GLN 181 HE21 -0.09 -0.07 -0.07 -0.04 6.97 6.70 3n2cL1 GLN 181 HE22 -0.09 0.05 -0.33 -0.04 7.69 7.28 3n2cL1 LYS 182 H -0.06 0.35 -0.25 -0.55 8.42 7.91 3n2cL1 LYS 182 HA -0.12 -0.00 0.54 -0.75 4.32 3.99 3n2cL1 LYS 182 HB2 -0.01 0.09 0.16 -0.04 1.87 2.06 3n2cL1 LYS 182 HB3 0.01 -0.14 -0.03 -0.04 1.79 1.59 3n2cL1 LYS 182 HG2 -0.00 -0.07 0.04 -0.04 1.46 1.38 3n2cL1 LYS 182 HG3 -0.02 0.09 0.02 -0.04 1.46 1.51 3n2cL1 LYS 182 HD2 0.01 -0.01 -0.19 -0.04 1.69 1.47 3n2cL1 LYS 182 HD3 0.03 -0.04 -0.05 -0.04 1.68 1.58 3n2cL1 LYS 182 HE2 0.05 -0.02 -0.04 -0.04 2.99 2.94 3n2cL1 LYS 182 HE3 0.04 -0.02 -0.07 -0.04 2.99 2.90 3n2cL1 GLY 183 H -0.06 0.27 -0.26 -0.55 8.43 7.83 3n2cL1 GLY 183 HA2 -0.15 0.16 0.10 -0.51 4.01 3.61 3n2cL1 GLY 183 HA3 -0.16 0.00 0.77 -0.51 4.01 4.11 3n2cL1 ALA 184 H 0.03 0.34 0.19 -0.55 8.40 8.40 3n2cL1 ALA 184 HA 0.10 -0.06 0.40 -0.75 4.34 4.03 3n2cL1 ALA 184 HB3 0.02 0.02 -0.16 -0.04 1.41 1.24 3n2cL1 THR 185 H 0.08 0.29 0.25 -0.55 8.28 8.36 3n2cL1 THR 185 HA 0.05 0.21 0.85 -0.75 4.39 4.74 3n2cL1 THR 185 HB 0.12 0.03 0.11 -0.04 4.32 4.54 3n2cL1 THR 185 HG23 0.21 0.01 0.03 -0.04 1.22 1.43 3n2cL1 GLN 186 H -0.04 0.34 0.16 -0.55 8.47 8.38 3n2cL1 GLN 186 HA -0.29 0.12 0.40 -0.75 4.36 3.84 3n2cL1 GLN 186 HB2 -0.99 -0.02 0.11 -0.04 2.15 1.21 3n2cL1 GLN 186 HB3 -0.56 0.09 -0.14 -0.04 2.02 1.38 3n2cL1 GLN 186 HG2 -0.16 -0.04 -0.31 -0.04 2.40 1.86 3n2cL1 GLN 186 HG3 -0.21 -0.04 -0.15 -0.04 2.39 1.95 3n2cL1 GLN 186 HE21 0.06 0.27 -0.33 -0.04 6.97 6.92 3n2cL1 GLN 186 HE22 -0.00 -0.06 -0.26 -0.04 7.69 7.32 3n2cL1 ILE 187 H -0.24 0.43 0.23 -0.55 8.25 8.13 3n2cL1 ILE 187 HA -0.05 0.36 0.88 -0.75 4.18 4.61 3n2cL1 ILE 187 HB -0.07 0.01 0.10 -0.04 1.89 1.90 3n2cL1 ILE 187 HG12 -0.08 -0.01 -0.32 -0.04 1.49 1.04 3n2cL1 ILE 187 HG13 -0.05 -0.04 -0.11 -0.04 1.21 0.97 3n2cL1 ILE 187 HG23 -0.03 -0.00 0.02 -0.04 0.93 0.88 3n2cL1 ILE 187 HD13 -0.03 0.06 -0.13 -0.04 0.88 0.73 3n2cL1 ILE 189 HA 0.10 -0.11 0.43 -0.75 4.18 3.84 3n2cL1 ILE 189 HB 0.07 -0.09 0.01 -0.04 1.89 1.83 3n2cL1 ILE 189 HG12 0.03 0.20 0.01 -0.04 1.49 1.68 3n2cL1 ILE 189 HG13 0.09 -0.18 -0.01 -0.04 1.21 1.07 3n2cL1 ILE 189 HG23 -0.09 -0.00 -0.07 -0.04 0.93 0.72 3n2cL1 ILE 189 HD13 -0.01 -0.01 -0.11 -0.04 0.88 0.71 3n2cL1 MET 190 H 0.28 0.44 0.22 -0.55 8.47 8.86 3n2cL1 MET 190 HA 0.23 0.12 0.97 -0.75 4.52 5.09 3n2cL1 MET 190 HB2 0.09 -0.14 0.34 -0.04 2.15 2.40 3n2cL1 MET 190 HB3 0.12 -0.01 0.17 -0.04 2.03 2.27 3n2cL1 MET 190 HG2 0.06 0.16 -0.28 -0.04 2.63 2.53 3n2cL1 MET 190 HG3 -0.04 -0.25 -0.14 -0.04 2.56 2.09 3n2cL1 MET 190 HE3 -0.20 0.01 -0.29 -0.04 2.10 1.58 3n2cL1 ALA 191 H 0.20 0.31 0.09 -0.55 8.40 8.46 3n2cL1 ALA 191 HA 0.21 0.11 0.40 -0.75 4.34 4.31 3n2cL1 ALA 191 HB3 0.09 0.04 0.03 -0.04 1.41 1.52 3n2cL1 SER 192 H 0.23 0.21 -0.08 -0.55 8.46 8.27 3n2cL1 SER 192 HA 0.06 0.05 0.87 -0.75 4.49 4.71 3n2cL1 SER 192 HB2 0.03 0.10 0.16 -0.04 3.95 4.20 3n2cL1 SER 192 HB3 0.00 -0.05 -0.05 -0.04 3.93 3.79 3n2cL1 GLY 193 H 0.05 0.51 0.15 -0.55 8.43 8.60 3n2cL1 GLY 193 HA2 0.01 -0.08 0.50 -0.51 4.01 3.93 3n2cL1 GLY 193 HA3 0.04 0.37 0.25 -0.51 4.01 4.16 3n2cL1 GLY 194 H -0.16 0.12 -0.02 -0.55 8.43 7.83 3n2cL1 GLY 194 HA2 0.24 0.18 0.77 -0.51 4.01 4.70 3n2cL1 GLY 194 HA3 -1.12 -0.08 0.27 -0.51 4.01 2.57 3n2cL1 VAL 195 H 0.21 0.01 0.12 -0.55 8.24 8.03 3n2cL1 VAL 195 HA 0.11 0.25 0.73 -0.75 4.13 4.47 3n2cL1 VAL 195 HB 0.26 -0.07 0.07 -0.04 2.12 2.33 3n2cL1 VAL 195 HG13 0.13 0.07 -0.17 -0.04 0.97 0.96 3n2cL1 VAL 195 HG23 0.08 -0.03 -0.26 -0.04 0.95 0.71 3n2cL1 ALA 196 H 0.39 -0.03 0.11 -0.55 8.40 8.32 3n2cL1 ALA 196 HA 0.12 0.07 0.28 -0.75 4.34 4.06 3n2cL1 ALA 196 HB3 0.12 0.00 0.08 -0.04 1.41 1.57 3n2cL1 SER 197 H 0.38 -0.06 -0.27 -0.55 8.46 7.97 3n2cL1 SER 197 HA 0.36 0.11 0.47 -0.75 4.49 4.68 3n2cL1 SER 197 HB2 0.11 0.08 -0.05 -0.04 3.95 4.05 3n2cL1 SER 197 HB3 0.10 0.20 -0.04 -0.04 3.93 4.15 3n2cL1 PRO 198 HA 0.07 0.09 0.25 -0.51 4.44 4.34 3n2cL1 PRO 198 HB2 0.05 -0.01 -0.07 -0.04 2.28 2.22 3n2cL1 PRO 198 HB3 0.07 -0.04 0.05 -0.04 2.02 2.05 3n2cL1 PRO 198 HG2 0.07 0.14 -0.07 -0.04 2.03 2.13 3n2cL1 PRO 198 HG3 0.11 0.07 -0.11 -0.04 2.03 2.05 3n2cL1 PRO 198 HD2 0.16 0.28 0.21 -0.04 3.68 4.29 3n2cL1 PRO 198 HD3 0.27 0.10 0.22 -0.04 3.65 4.20 3n2cL1 THR 199 H 0.06 0.10 -0.23 -0.55 8.28 7.67 3n2cL1 THR 199 HA 0.03 0.10 0.36 -0.75 4.39 4.12 3n2cL1 THR 199 HB 0.01 -0.03 -0.03 -0.04 4.32 4.23 3n2cL1 THR 199 HG23 0.02 -0.02 -0.10 -0.04 1.22 1.08 3n2cL1 ASP 200 H 0.05 0.04 -0.16 -0.55 8.40 7.78 3n2cL1 ASP 200 HA 0.01 0.14 0.43 -0.75 4.63 4.46 3n2cL1 ASP 200 HB2 0.02 0.09 -0.06 -0.04 2.71 2.72 3n2cL1 ASP 200 HB3 0.01 0.10 -0.00 -0.04 2.70 2.77 3n2cL1 PRO 201 HA 0.01 0.14 0.60 -0.51 4.44 4.67 3n2cL1 PRO 201 HB2 0.00 -0.16 0.00 -0.04 2.28 2.09 3n2cL1 PRO 201 HB3 -0.00 0.01 0.12 -0.04 2.02 2.11 3n2cL1 PRO 201 HG2 0.00 0.00 0.09 -0.04 2.03 2.08 3n2cL1 PRO 201 HG3 0.01 0.10 0.08 -0.04 2.03 2.18 3n2cL1 PRO 201 HD2 0.01 0.03 0.22 -0.04 3.68 3.90 3n2cL1 PRO 201 HD3 0.01 0.46 0.29 -0.04 3.65 4.36 3n2cL1 ILE 202 H -0.01 0.15 0.10 -0.55 8.25 7.95 3n2cL1 ILE 202 HA 0.07 0.19 0.10 -0.75 4.18 3.79 3n2cL1 ILE 202 HB -0.07 0.11 -0.02 -0.04 1.89 1.87 3n2cL1 ILE 202 HG12 0.00 -0.05 -0.21 -0.04 1.49 1.19 3n2cL1 ILE 202 HG13 -0.25 0.02 -0.04 -0.04 1.21 0.90 3n2cL1 ILE 202 HG23 -0.06 -0.01 0.06 -0.04 0.93 0.88 3n2cL1 ILE 202 HD13 -0.21 -0.02 -0.11 -0.04 0.88 0.50 3n2cL1 ALA 203 H -0.00 0.04 -0.19 -0.55 8.40 7.70 3n2cL1 ALA 203 HA 0.01 -0.01 0.23 -0.75 4.34 3.81 3n2cL1 ALA 203 HB3 -0.01 0.01 0.04 -0.04 1.41 1.41 3n2cL1 ASN 204 H 0.01 0.13 -0.24 -0.55 8.53 7.89 3n2cL1 ASN 204 HA 0.01 0.02 0.52 -0.75 4.76 4.56 3n2cL1 ASN 204 HB2 0.01 0.11 0.01 -0.04 2.88 2.97 3n2cL1 ASN 204 HB3 0.01 -0.05 0.04 -0.04 2.79 2.75 3n2cL1 ASN 204 HD21 0.01 -0.01 -0.07 -0.04 7.03 6.92 3n2cL1 ASN 204 HD22 0.01 0.08 -0.33 -0.04 7.74 7.45 3n2cL1 THR 205 H 0.02 0.06 0.21 -0.55 8.28 8.02 3n2cL1 THR 205 HA 0.04 0.08 0.76 -0.75 4.39 4.51 3n2cL1 THR 205 HB 0.04 0.22 0.15 -0.04 4.32 4.69 3n2cL1 THR 205 HG23 0.03 -0.03 0.06 -0.04 1.22 1.23 3n2cL1 GLN 206 H 0.06 0.68 0.16 -0.55 8.47 8.81 3n2cL1 GLN 206 HA -0.02 0.10 0.81 -0.75 4.36 4.49 3n2cL1 GLN 206 HB2 0.03 0.25 -0.10 -0.04 2.15 2.29 3n2cL1 GLN 206 HB3 -0.15 -0.20 0.05 -0.04 2.02 1.67 3n2cL1 GLN 206 HG2 -0.04 0.02 -0.21 -0.04 2.40 2.13 3n2cL1 GLN 206 HG3 0.01 0.02 -0.58 -0.04 2.39 1.81 3n2cL1 GLN 206 HE21 0.04 -0.11 -0.12 -0.04 6.97 6.73 3n2cL1 GLN 206 HE22 0.01 0.10 -0.19 -0.04 7.69 7.57 3n2cL1 TYR 207 H -0.13 0.01 0.08 -0.55 8.29 7.69 3n2cL1 TYR 207 HA 0.01 -0.12 0.39 -0.75 4.56 4.08 3n2cL1 TYR 207 HB2 0.02 0.32 0.07 -0.04 3.06 3.43 3n2cL1 TYR 207 HB3 0.01 0.02 0.05 -0.04 2.98 3.01 3n2cL1 TYR 207 HD2 0.01 -0.01 -0.10 -0.04 7.15 7.00 3n2cL1 TYR 207 HE2 0.00 0.12 -0.08 -0.04 6.85 6.85 3n2cL1 SER 208 H 0.20 -0.01 0.15 -0.55 8.46 8.25 3n2cL1 SER 208 HA 0.06 0.28 0.76 -0.75 4.49 4.84 3n2cL1 SER 208 HB2 0.04 0.02 0.17 -0.04 3.95 4.14 3n2cL1 SER 208 HB3 0.05 0.10 0.11 -0.04 3.93 4.15 3n2cL1 GLU 209 H 0.03 0.21 0.15 -0.55 8.60 8.44 3n2cL1 GLU 209 HA 0.02 0.18 0.46 -0.75 4.29 4.19 3n2cL1 GLU 209 HB2 0.01 -0.05 0.11 -0.04 2.09 2.13 3n2cL1 GLU 209 HB3 0.01 0.11 0.02 -0.04 1.99 2.09 3n2cL1 GLU 209 HG2 0.02 0.06 -0.01 -0.04 2.34 2.37 3n2cL1 GLU 209 HG3 0.02 -0.03 0.05 -0.04 2.34 2.34 3n2cL1 ASP 210 H 0.02 0.01 -0.13 -0.55 8.40 7.76 3n2cL1 ASP 210 HA -0.00 0.21 0.53 -0.75 4.63 4.62 3n2cL1 ASP 210 HB2 0.02 -0.12 0.06 -0.04 2.71 2.63 3n2cL1 ASP 210 HB3 0.01 0.05 0.00 -0.04 2.70 2.72 3n2cL1 GLU 211 H 0.03 -0.02 -0.28 -0.55 8.60 7.77 3n2cL1 GLU 211 HA -0.03 0.05 0.40 -0.75 4.29 3.95 3n2cL1 GLU 211 HB2 0.10 -0.03 0.17 -0.04 2.09 2.29 3n2cL1 GLU 211 HB3 -0.11 0.13 -0.08 -0.04 1.99 1.90 3n2cL1 GLU 211 HG2 0.08 0.11 -0.27 -0.04 2.34 2.21 3n2cL1 GLU 211 HG3 0.06 -0.07 -0.06 -0.04 2.34 2.22 3n2cL1 ILE 212 H -0.04 0.48 -0.12 -0.55 8.25 8.02 3n2cL1 ILE 212 HA -0.17 0.04 0.28 -0.75 4.18 3.57 3n2cL1 ILE 212 HB -0.02 0.05 0.04 -0.04 1.89 1.92 3n2cL1 ILE 212 HG12 -0.06 -0.00 -0.06 -0.04 1.49 1.32 3n2cL1 ILE 212 HG13 -0.03 -0.09 -0.02 -0.04 1.21 1.04 3n2cL1 ILE 212 HG23 -0.03 0.02 -0.14 -0.04 0.93 0.74 3n2cL1 ILE 212 HD13 0.06 0.03 -0.15 -0.04 0.88 0.78 3n2cL1 ARG 213 H -0.03 0.30 -0.28 -0.55 8.46 7.89 3n2cL1 ARG 213 HA -0.03 0.22 0.39 -0.75 4.34 4.16 3n2cL1 ARG 213 HB2 -0.02 0.01 0.16 -0.04 1.90 2.02 3n2cL1 ARG 213 HB3 -0.01 -0.02 0.01 -0.04 1.80 1.74 3n2cL1 ARG 213 HG2 -0.02 0.25 0.15 -0.04 1.67 2.01 3n2cL1 ARG 213 HG3 -0.02 -0.03 0.13 -0.04 1.67 1.71 3n2cL1 ARG 213 HD2 -0.01 -0.09 0.00 -0.04 3.22 3.08 3n2cL1 ARG 213 HD3 -0.01 -0.03 0.03 -0.04 3.22 3.17 3n2cL1 ALA 214 H -0.04 0.29 -0.26 -0.55 8.40 7.85 3n2cL1 ALA 214 HA -0.02 0.06 0.50 -0.75 4.34 4.13 3n2cL1 ALA 214 HB3 -0.03 0.01 0.09 -0.04 1.41 1.45 3n2cL1 ILE 215 H -0.08 0.38 -0.17 -0.55 8.25 7.82 3n2cL1 ILE 215 HA -0.06 0.02 0.37 -0.75 4.18 3.76 3n2cL1 ILE 215 HB -0.12 0.16 0.11 -0.04 1.89 2.01 3n2cL1 ILE 215 HG12 -0.13 -0.00 -0.07 -0.04 1.49 1.24 3n2cL1 ILE 215 HG13 -0.14 0.01 -0.02 -0.04 1.21 1.01 3n2cL1 ILE 215 HG23 -0.08 0.00 -0.16 -0.04 0.93 0.65 3n2cL1 ILE 215 HD13 -0.42 -0.05 -0.18 -0.04 0.88 0.20 3n2cL1 VAL 216 H -0.04 0.59 -0.12 -0.55 8.24 8.12 3n2cL1 VAL 216 HA -0.01 -0.00 0.37 -0.75 4.13 3.73 3n2cL1 VAL 216 HB -0.02 0.06 0.13 -0.04 2.12 2.25 3n2cL1 VAL 216 HG13 0.00 0.03 -0.07 -0.04 0.97 0.89 3n2cL1 VAL 216 HG23 -0.01 0.00 -0.27 -0.04 0.95 0.63 3n2cL1 ASP 217 H -0.02 0.50 -0.20 -0.55 8.40 8.13 3n2cL1 ASP 217 HA -0.00 0.04 0.37 -0.75 4.63 4.29 3n2cL1 ASP 217 HB2 -0.01 0.05 0.21 -0.04 2.71 2.91 3n2cL1 ASP 217 HB3 -0.01 -0.07 -0.00 -0.04 2.70 2.58 3n2cL1 GLU 218 H -0.02 0.51 -0.22 -0.55 8.60 8.32 3n2cL1 GLU 218 HA -0.01 0.01 0.44 -0.75 4.29 3.98 3n2cL1 GLU 218 HB2 -0.03 0.09 0.15 -0.04 2.09 2.27 3n2cL1 GLU 218 HB3 -0.02 -0.04 -0.07 -0.04 1.99 1.81 3n2cL1 GLU 218 HG2 -0.02 0.07 0.04 -0.04 2.34 2.38 3n2cL1 GLU 218 HG3 -0.02 -0.02 0.07 -0.04 2.34 2.32 3n2cL1 ALA 219 H -0.02 0.51 -0.21 -0.55 8.40 8.13 3n2cL1 ALA 219 HA -0.03 0.04 0.31 -0.75 4.34 3.92 3n2cL1 ALA 219 HB3 -0.02 0.04 -0.12 -0.04 1.41 1.27 3n2cL1 GLU 220 H 0.01 0.52 -0.09 -0.55 8.60 8.49 3n2cL1 GLU 220 HA 0.03 0.09 0.46 -0.75 4.29 4.12 3n2cL1 GLU 220 HB2 0.01 0.05 0.12 -0.04 2.09 2.23 3n2cL1 GLU 220 HB3 0.02 -0.07 0.10 -0.04 1.99 2.00 3n2cL1 GLU 220 HG2 0.04 0.05 0.12 -0.04 2.34 2.52 3n2cL1 GLU 220 HG3 0.03 0.10 0.15 -0.04 2.34 2.58 3n2cL1 ALA 221 H 0.00 0.34 -0.46 -0.55 8.40 7.73 3n2cL1 ALA 221 HA 0.00 0.01 0.57 -0.75 4.34 4.17 3n2cL1 ALA 221 HB3 -0.00 0.02 0.11 -0.04 1.41 1.50 3n2cL1 ALA 222 H -0.00 0.50 -0.45 -0.55 8.40 7.90 3n2cL1 ALA 222 HA 0.00 0.10 0.77 -0.75 4.34 4.46 3n2cL1 ALA 222 HB3 -0.01 0.00 0.04 -0.04 1.41 1.41 3n2cL1 ASN 223 H 0.01 0.32 -0.37 -0.55 8.53 7.95 3n2cL1 ASN 223 HA 0.03 0.05 0.40 -0.75 4.76 4.49 3n2cL1 ASN 223 HB2 0.02 0.10 0.03 -0.04 2.88 2.99 3n2cL1 ASN 223 HB3 0.03 -0.04 0.22 -0.04 2.79 2.95 3n2cL1 ASN 223 HD21 0.01 -0.07 -0.04 -0.04 7.03 6.89 3n2cL1 ASN 223 HD22 0.02 0.02 -0.12 -0.04 7.74 7.61 3n2cL1 THR 224 H 0.03 0.27 -0.13 -0.55 8.28 7.90 3n2cL1 THR 224 HA 0.12 0.11 0.37 -0.75 4.39 4.24 3n2cL1 THR 224 HB -0.00 0.19 0.13 -0.04 4.32 4.60 3n2cL1 THR 224 HG23 -0.04 -0.02 -0.26 -0.04 1.22 0.87 3n2cL1 TYR 225 H -0.28 0.24 0.19 -0.55 8.29 7.89 3n2cL1 TYR 225 HA 0.00 0.20 0.88 -0.75 4.56 4.88 3n2cL1 TYR 225 HB2 0.01 -0.12 0.14 -0.04 3.06 3.05 3n2cL1 TYR 225 HB3 0.00 0.11 -0.23 -0.04 2.98 2.82 3n2cL1 TYR 225 HD2 -0.02 -0.02 -0.22 -0.04 7.15 6.86 3n2cL1 TYR 225 HE2 -0.07 0.00 -0.12 -0.04 6.85 6.63 3n2cL1 VAL 226 H 0.21 0.14 0.25 -0.55 8.24 8.29 3n2cL1 VAL 226 HA -0.03 0.31 1.08 -0.75 4.13 4.74 3n2cL1 VAL 226 HB 0.05 -0.07 0.14 -0.04 2.12 2.20 3n2cL1 VAL 226 HG13 0.02 0.00 -0.22 -0.04 0.97 0.74 3n2cL1 VAL 226 HG23 -0.01 -0.02 -0.23 -0.04 0.95 0.65 3n2cL1 MET 227 H 0.03 0.60 0.28 -0.55 8.47 8.83 3n2cL1 MET 227 HA 0.14 0.22 0.97 -0.75 4.52 5.11 3n2cL1 MET 227 HB2 0.13 -0.06 -0.07 -0.04 2.15 2.10 3n2cL1 MET 227 HB3 0.18 -0.01 0.02 -0.04 2.03 2.18 3n2cL1 MET 227 HG2 0.00 0.05 0.05 -0.04 2.63 2.69 3n2cL1 MET 227 HG3 0.06 0.01 -0.19 -0.04 2.56 2.40 3n2cL1 MET 227 HE3 0.05 -0.02 -0.13 -0.04 2.10 1.96 3n2cL1 ALA 228 H 0.10 0.42 0.25 -0.55 8.40 8.62 3n2cL1 ALA 228 HA 0.12 0.37 1.07 -0.75 4.34 5.14 3n2cL1 ALA 228 HB3 0.07 -0.01 -0.11 -0.04 1.41 1.32 3n2cL1 HIS 229 H 0.25 0.70 0.34 -0.55 8.41 9.16 3n2cL1 HIS 229 HA 0.19 0.05 0.64 -0.75 4.63 4.75 3n2cL1 HIS 229 HB2 0.23 0.07 0.11 -0.04 3.26 3.63 3n2cL1 HIS 229 HB3 0.13 -0.05 0.37 -0.04 3.20 3.60 3n2cL1 HIS 229 HD2 -0.07 -0.07 -0.16 -0.04 6.97 6.63 3n2cL1 HIS 229 HE1 -0.74 -0.09 -0.09 -0.04 7.75 6.79 3n2cL1 ALA 230 H -0.21 0.53 0.20 -0.55 8.40 8.38 3n2cL1 ALA 230 HA -0.25 0.03 0.65 -0.75 4.34 4.02 3n2cL1 ALA 230 HB3 -0.02 0.04 -0.24 -0.04 1.41 1.14 3n2cL1 TYR 231 H -0.07 0.12 0.05 -0.55 8.29 7.84 3n2cL1 TYR 231 HA -0.08 -0.02 1.06 -0.75 4.56 4.76 3n2cL1 TYR 231 HB2 -0.12 0.18 0.13 -0.04 3.06 3.21 3n2cL1 TYR 231 HB3 -0.08 -0.02 -0.02 -0.04 2.98 2.81 3n2cL1 TYR 231 HD2 -0.09 0.06 0.14 -0.04 7.15 7.21 3n2cL1 TYR 231 HE2 0.02 -0.09 -0.01 -0.04 6.85 6.73 3n2cL1 THR 232 H 0.09 0.19 0.14 -0.55 8.28 8.16 3n2cL1 THR 232 HA 0.02 0.20 0.57 -0.75 4.39 4.43 3n2cL1 THR 232 HB 0.01 -0.08 0.16 -0.04 4.32 4.37 3n2cL1 THR 232 HG23 0.01 0.05 0.03 -0.04 1.22 1.27 3n2cL1 GLY 233 H 0.01 0.32 0.29 -0.55 8.43 8.50 3n2cL1 GLY 233 HA2 0.03 0.14 0.37 -0.51 4.01 4.03 3n2cL1 GLY 233 HA3 0.01 -0.03 0.42 -0.51 4.01 3.90 3n2cL1 ARG 234 H 0.01 0.10 -0.11 -0.55 8.46 7.91 3n2cL1 ARG 234 HA 0.02 0.10 0.53 -0.75 4.34 4.22 3n2cL1 ARG 234 HB2 0.01 0.02 0.11 -0.04 1.90 2.00 3n2cL1 ARG 234 HB3 0.01 -0.02 0.10 -0.04 1.80 1.86 3n2cL1 ARG 234 HG2 0.02 0.04 -0.22 -0.04 1.67 1.46 3n2cL1 ARG 234 HG3 0.01 0.01 0.02 -0.04 1.67 1.67 3n2cL1 ARG 234 HD2 0.01 0.02 0.01 -0.04 3.22 3.22 3n2cL1 ARG 234 HD3 0.01 -0.00 0.03 -0.04 3.22 3.21 3n2cL1 ALA 235 H 0.02 0.09 -0.24 -0.55 8.40 7.73 3n2cL1 ALA 235 HA 0.03 0.08 0.43 -0.75 4.34 4.12 3n2cL1 ALA 235 HB3 0.02 0.05 0.06 -0.04 1.41 1.50 3n2cL1 ILE 236 H 0.03 0.24 -0.40 -0.55 8.25 7.57 3n2cL1 ILE 236 HA 0.03 0.10 0.42 -0.75 4.18 3.98 3n2cL1 ILE 236 HB 0.05 -0.01 0.09 -0.04 1.89 1.97 3n2cL1 ILE 236 HG12 0.06 0.09 -0.19 -0.04 1.49 1.40 3n2cL1 ILE 236 HG13 0.03 -0.12 -0.32 -0.04 1.21 0.77 3n2cL1 ILE 236 HG23 0.07 0.02 -0.21 -0.04 0.93 0.77 3n2cL1 ILE 236 HD13 0.08 -0.03 -0.46 -0.04 0.88 0.44 3n2cL1 ALA 237 H 0.03 0.44 -0.11 -0.55 8.40 8.22 3n2cL1 ALA 237 HA 0.04 0.08 0.30 -0.75 4.34 4.00 3n2cL1 ALA 237 HB3 0.03 0.01 0.11 -0.04 1.41 1.52 3n2cL1 ARG 238 H 0.02 0.37 -0.12 -0.55 8.46 8.17 3n2cL1 ARG 238 HA 0.01 0.06 0.45 -0.75 4.34 4.10 3n2cL1 ARG 238 HB2 0.02 -0.02 -0.05 -0.04 1.90 1.81 3n2cL1 ARG 238 HB3 0.02 -0.04 0.07 -0.04 1.80 1.81 3n2cL1 ARG 238 HG2 0.02 0.09 0.07 -0.04 1.67 1.82 3n2cL1 ARG 238 HG3 0.02 0.05 0.02 -0.04 1.67 1.72 3n2cL1 ARG 238 HD2 0.03 -0.08 0.06 -0.04 3.22 3.19 3n2cL1 ARG 238 HD3 0.04 0.10 -0.00 -0.04 3.22 3.31 3n2cL1 ALA 239 H 0.02 0.30 -0.39 -0.55 8.40 7.78 3n2cL1 ALA 239 HA 0.01 -0.00 0.35 -0.75 4.34 3.94 3n2cL1 ALA 239 HB3 0.03 0.06 0.05 -0.04 1.41 1.50 3n2cL1 VAL 240 H -0.00 0.44 -0.17 -0.55 8.24 7.96 3n2cL1 VAL 240 HA -0.05 0.16 0.47 -0.75 4.13 3.95 3n2cL1 VAL 240 HB 0.00 -0.02 0.04 -0.04 2.12 2.11 3n2cL1 VAL 240 HG13 -0.03 0.02 -0.13 -0.04 0.97 0.78 3n2cL1 VAL 240 HG23 0.03 0.06 -0.07 -0.04 0.95 0.93 3n2cL1 ARG 241 H -0.06 0.44 -0.12 -0.55 8.46 8.16 3n2cL1 ARG 241 HA -0.25 0.12 0.54 -0.75 4.34 3.99 3n2cL1 ARG 241 HB2 -0.02 0.17 0.16 -0.04 1.90 2.17 3n2cL1 ARG 241 HB3 -0.02 -0.05 -0.03 -0.04 1.80 1.65 3n2cL1 ARG 241 HG2 0.01 0.02 0.08 -0.04 1.67 1.73 3n2cL1 ARG 241 HG3 0.05 0.01 0.02 -0.04 1.67 1.70 3n2cL1 ARG 241 HD2 0.02 -0.04 -0.02 -0.04 3.22 3.14 3n2cL1 ARG 241 HD3 0.04 -0.02 -0.00 -0.04 3.22 3.20 3n2cL1 CYS 242 H -0.05 0.28 -0.40 -0.55 8.50 7.78 3n2cL1 CYS 242 HA -0.03 0.06 0.73 -0.75 4.58 4.58 3n2cL1 CYS 242 HB2 -0.02 0.10 0.07 -0.04 2.97 3.08 3n2cL1 CYS 242 HB3 -0.02 -0.11 -0.09 -0.04 2.97 2.70 3n2cL1 GLY 243 H -0.07 0.18 -0.23 -0.55 8.43 7.76 3n2cL1 GLY 243 HA2 -0.08 0.17 0.18 -0.51 4.01 3.77 3n2cL1 GLY 243 HA3 -0.03 0.10 0.60 -0.51 4.01 4.16 3n2cL1 VAL 244 H -0.02 0.32 0.14 -0.55 8.24 8.13 3n2cL1 VAL 244 HA 0.05 0.02 0.65 -0.75 4.13 4.09 3n2cL1 VAL 244 HB 0.06 0.10 -0.08 -0.04 2.12 2.16 3n2cL1 VAL 244 HG13 0.01 0.01 -0.08 -0.04 0.97 0.87 3n2cL1 VAL 244 HG23 0.03 -0.01 -0.40 -0.04 0.95 0.54 3n2cL1 ARG 245 H 0.13 0.23 0.30 -0.55 8.46 8.57 3n2cL1 ARG 245 HA 0.07 0.21 0.66 -0.75 4.34 4.53 3n2cL1 ARG 245 HB2 0.09 -0.00 0.12 -0.04 1.90 2.06 3n2cL1 ARG 245 HB3 0.06 -0.04 0.13 -0.04 1.80 1.91 3n2cL1 ARG 245 HG2 -0.09 -0.05 -0.12 -0.04 1.67 1.36 3n2cL1 ARG 245 HG3 0.10 0.09 0.07 -0.04 1.67 1.89 3n2cL1 ARG 245 HD2 -0.02 0.01 -0.00 -0.04 3.22 3.17 3n2cL1 ARG 245 HD3 -0.45 -0.03 -0.03 -0.04 3.22 2.68 3n2cL1 THR 246 H 0.14 0.34 0.20 -0.55 8.28 8.40 3n2cL1 THR 246 HA 0.13 0.27 0.93 -0.75 4.39 4.97 3n2cL1 THR 246 HB 0.05 -0.01 -0.22 -0.04 4.32 4.10 3n2cL1 THR 246 HG23 -0.14 0.01 -0.18 -0.04 1.22 0.87 3n2cL1 ILE 247 H 0.05 0.79 0.09 -0.55 8.25 8.63 3n2cL1 ILE 247 HA 0.04 0.10 0.87 -0.75 4.18 4.44 3n2cL1 ILE 247 HB 0.01 0.12 0.10 -0.04 1.89 2.08 3n2cL1 ILE 247 HG12 0.04 0.06 -0.26 -0.04 1.49 1.29 3n2cL1 ILE 247 HG13 0.04 -0.04 -0.11 -0.04 1.21 1.06 3n2cL1 ILE 247 HG23 0.02 -0.04 -0.29 -0.04 0.93 0.58 3n2cL1 ILE 247 HD13 0.03 -0.03 -0.11 -0.04 0.88 0.73 3n2cL1 GLU 248 H 0.05 0.69 0.26 -0.55 8.60 9.06 3n2cL1 GLU 248 HA -0.15 0.16 0.70 -0.75 4.29 4.25 3n2cL1 GLU 248 HB2 0.12 -0.13 -0.04 -0.04 2.09 2.00 3n2cL1 GLU 248 HB3 -0.44 -0.04 0.02 -0.04 1.99 1.48 3n2cL1 GLU 248 HG2 0.13 0.01 -0.21 -0.04 2.34 2.22 3n2cL1 GLU 248 HG3 0.29 0.01 -0.20 -0.04 2.34 2.40 3n2cL1 HIS 249 H -0.46 0.44 0.20 -0.55 8.41 8.04 3n2cL1 HIS 249 HA 0.01 -0.14 0.38 -0.75 4.63 4.12 3n2cL1 HIS 249 HB2 -0.27 0.24 0.37 -0.04 3.26 3.56 3n2cL1 HIS 249 HB3 0.19 -0.10 0.14 -0.04 3.20 3.38 3n2cL1 HIS 249 HD2 -0.17 -0.01 -0.26 -0.04 6.97 6.47 3n2cL1 HIS 249 HE1 0.12 0.03 -0.06 -0.04 7.75 7.79 3n2cL1 GLY 250 H 0.15 0.35 0.39 -0.55 8.43 8.77 3n2cL1 GLY 250 HA2 0.13 0.03 0.14 -0.51 4.01 3.80 3n2cL1 GLY 250 HA3 0.20 0.16 0.50 -0.51 4.01 4.36 3n2cL1 ASN 251 H 0.31 0.03 0.16 -0.55 8.53 8.48 3n2cL1 ASN 251 HA 0.05 0.14 0.24 -0.75 4.76 4.43 3n2cL1 ASN 251 HB2 -0.09 -0.09 0.09 -0.04 2.88 2.76 3n2cL1 ASN 251 HB3 -0.18 0.21 0.06 -0.04 2.79 2.84 3n2cL1 ASN 251 HD21 -1.00 -0.07 -0.14 -0.04 7.03 5.78 3n2cL1 ASN 251 HD22 -0.64 0.20 -0.18 -0.04 7.74 7.08 3n2cL1 LEU 252 H 0.06 0.38 -0.20 -0.55 8.37 8.06 3n2cL1 LEU 252 HA -0.05 0.25 0.93 -0.75 4.35 4.72 3n2cL1 LEU 252 HB2 -0.01 -0.09 0.05 -0.04 1.64 1.55 3n2cL1 LEU 252 HB3 -0.04 -0.03 0.09 -0.04 1.64 1.62 3n2cL1 LEU 252 HG -0.11 -0.06 -0.20 -0.04 1.64 1.23 3n2cL1 LEU 252 HD13 -0.07 -0.01 -0.07 -0.04 0.93 0.74 3n2cL1 LEU 252 HD23 -0.11 0.07 -0.19 -0.04 0.89 0.62 3n2cL1 VAL 253 H -0.06 0.32 -0.18 -0.55 8.24 7.76 3n2cL1 VAL 253 HA -0.02 -0.00 0.89 -0.75 4.13 4.25 3n2cL1 VAL 253 HB -0.17 0.07 -0.11 -0.04 2.12 1.86 3n2cL1 VAL 253 HG13 0.07 -0.01 -0.10 -0.04 0.97 0.89 3n2cL1 VAL 253 HG23 -0.39 0.07 -0.01 -0.04 0.95 0.59 3n2cL1 ASP 254 H -0.03 0.03 0.21 -0.55 8.40 8.06 3n2cL1 ASP 254 HA -0.05 0.27 0.67 -0.75 4.63 4.76 3n2cL1 ASP 254 HB2 -0.02 -0.10 0.17 -0.04 2.71 2.72 3n2cL1 ASP 254 HB3 -0.03 0.12 0.15 -0.04 2.70 2.90 3n2cL1 GLU 255 H -0.04 0.20 0.14 -0.55 8.60 8.36 3n2cL1 GLU 255 HA -0.05 0.19 0.41 -0.75 4.29 4.09 3n2cL1 GLU 255 HB2 -0.03 0.08 0.04 -0.04 2.09 2.14 3n2cL1 GLU 255 HB3 -0.05 0.09 0.08 -0.04 1.99 2.08 3n2cL1 GLU 255 HG2 -0.02 -0.11 0.10 -0.04 2.34 2.27 3n2cL1 GLU 255 HG3 -0.03 0.09 0.02 -0.04 2.34 2.39 3n2cL1 ALA 256 H -0.01 0.04 -0.10 -0.55 8.40 7.78 3n2cL1 ALA 256 HA 0.01 0.17 0.49 -0.75 4.34 4.25 3n2cL1 ALA 256 HB3 0.00 0.02 0.06 -0.04 1.41 1.46 3n2cL1 ALA 257 H 0.01 0.03 -0.17 -0.55 8.40 7.73 3n2cL1 ALA 257 HA 0.05 0.11 0.48 -0.75 4.34 4.23 3n2cL1 ALA 257 HB3 0.04 0.02 0.07 -0.04 1.41 1.50 3n2cL1 ALA 258 H 0.02 0.15 -0.33 -0.55 8.40 7.69 3n2cL1 ALA 258 HA 0.14 0.13 0.49 -0.75 4.34 4.34 3n2cL1 ALA 258 HB3 0.00 0.03 0.02 -0.04 1.41 1.43 3n2cL1 LYS 259 H 0.03 0.42 -0.14 -0.55 8.42 8.17 3n2cL1 LYS 259 HA 0.06 0.13 0.48 -0.75 4.32 4.23 3n2cL1 LYS 259 HB2 0.01 0.09 0.19 -0.04 1.87 2.12 3n2cL1 LYS 259 HB3 0.03 0.04 0.16 -0.04 1.79 1.97 3n2cL1 LYS 259 HG2 0.05 0.02 0.05 -0.04 1.46 1.55 3n2cL1 LYS 259 HG3 0.01 -0.00 0.04 -0.04 1.46 1.48 3n2cL1 LYS 259 HD2 0.01 0.01 -0.07 -0.04 1.69 1.59 3n2cL1 LYS 259 HD3 0.01 0.01 -0.01 -0.04 1.68 1.64 3n2cL1 LYS 259 HE2 0.01 -0.03 0.04 -0.04 2.99 2.97 3n2cL1 LYS 259 HE3 0.00 -0.03 -0.00 -0.04 2.99 2.92 3n2cL1 LEU 260 H 0.05 0.41 -0.13 -0.55 8.37 8.15 3n2cL1 LEU 260 HA 0.01 0.03 0.42 -0.75 4.35 4.06 3n2cL1 LEU 260 HB2 0.06 0.02 0.13 -0.04 1.64 1.81 3n2cL1 LEU 260 HB3 0.10 0.07 0.08 -0.04 1.64 1.84 3n2cL1 LEU 260 HG 0.35 0.04 -0.06 -0.04 1.64 1.93 3n2cL1 LEU 260 HD13 0.11 -0.01 0.01 -0.04 0.93 1.00 3n2cL1 LEU 260 HD23 0.09 -0.02 -0.01 -0.04 0.89 0.91 3n2cL1 MET 261 H 0.10 0.30 -0.38 -0.55 8.47 7.94 3n2cL1 MET 261 HA 0.11 0.03 0.49 -0.75 4.52 4.40 3n2cL1 MET 261 HB2 0.11 0.06 0.14 -0.04 2.15 2.42 3n2cL1 MET 261 HB3 0.05 0.21 -0.03 -0.04 2.03 2.22 3n2cL1 MET 261 HG2 0.07 -0.02 -0.02 -0.04 2.63 2.61 3n2cL1 MET 261 HG3 0.09 0.06 0.00 -0.04 2.56 2.68 3n2cL1 MET 261 HE3 0.26 -0.01 -0.18 -0.04 2.10 2.13 3n2cL1 HIS 262 H 0.13 0.34 -0.26 -0.55 8.41 8.08 3n2cL1 HIS 262 HA -0.06 0.06 0.40 -0.75 4.63 4.27 3n2cL1 HIS 262 HB2 -0.01 0.02 -0.02 -0.04 3.26 3.21 3n2cL1 HIS 262 HB3 -0.02 0.05 0.20 -0.04 3.20 3.39 3n2cL1 HIS 262 HD2 -0.03 -0.09 -0.04 -0.04 6.97 6.76 3n2cL1 HIS 262 HE1 -0.04 -0.06 0.02 -0.04 7.75 7.63 3n2cL1 GLU 263 H -0.05 0.35 -0.16 -0.55 8.60 8.19 3n2cL1 GLU 263 HA -0.32 0.05 0.46 -0.75 4.29 3.73 3n2cL1 GLU 263 HB2 -0.23 0.06 0.17 -0.04 2.09 2.05 3n2cL1 GLU 263 HB3 -0.29 -0.03 -0.00 -0.04 1.99 1.62 3n2cL1 GLU 263 HG2 -0.10 -0.02 0.04 -0.04 2.34 2.21 3n2cL1 GLU 263 HG3 -0.02 0.10 0.05 -0.04 2.34 2.42 3n2cL1 HIS 264 H -0.09 0.43 -0.10 -0.55 8.41 8.10 3n2cL1 HIS 264 HA -0.06 0.03 0.39 -0.75 4.63 4.25 3n2cL1 HIS 264 HB2 -0.03 0.02 0.11 -0.04 3.26 3.33 3n2cL1 HIS 264 HB3 -0.02 0.04 0.07 -0.04 3.20 3.24 3n2cL1 HIS 264 HD2 -0.02 0.00 -0.00 -0.04 6.97 6.91 3n2cL1 HIS 264 HE1 0.00 -0.13 -0.04 -0.04 7.75 7.54 3n2cL1 GLY 265 H -0.11 0.20 -0.71 -0.55 8.43 7.26 3n2cL1 GLY 265 HA2 -0.21 0.02 0.25 -0.51 4.01 3.57 3n2cL1 GLY 265 HA3 -0.12 0.02 0.53 -0.51 4.01 3.93 3n2cL1 ALA 266 H -0.05 0.58 0.06 -0.55 8.40 8.44 3n2cL1 ALA 266 HA -0.00 0.24 0.65 -0.75 4.34 4.48 3n2cL1 ALA 266 HB3 0.03 -0.05 0.06 -0.04 1.41 1.41 3n2cL1 PHE 267 H 0.20 0.44 0.34 -0.55 8.34 8.78 3n2cL1 PHE 267 HA -0.05 0.08 0.50 -0.75 4.62 4.40 3n2cL1 PHE 267 HB2 -0.08 -0.05 0.04 -0.04 3.15 3.03 3n2cL1 PHE 267 HB3 -0.07 -0.05 -0.01 -0.04 3.06 2.89 3n2cL1 PHE 267 HD2 -0.08 0.02 -0.03 -0.04 7.28 7.15 3n2cL1 PHE 267 HE2 -0.07 -0.01 -0.03 -0.04 7.38 7.23 3n2cL1 PHE 267 HZ -0.06 -0.04 -0.07 -0.04 7.32 7.11 3n2cL1 VAL 268 H 0.05 0.55 0.27 -0.55 8.24 8.56 3n2cL1 VAL 268 HA -0.08 0.23 0.80 -0.75 4.13 4.32 3n2cL1 VAL 268 HB -0.45 0.05 0.05 -0.04 2.12 1.73 3n2cL1 VAL 268 HG13 -0.61 -0.03 -0.17 -0.04 0.97 0.12 3n2cL1 VAL 268 HG23 -0.37 -0.00 -0.21 -0.04 0.95 0.32 3n2cL1 VAL 269 H -0.09 0.71 0.12 -0.55 8.24 8.43 3n2cL1 VAL 269 HA -0.08 0.21 0.77 -0.75 4.13 4.27 3n2cL1 VAL 269 HB -0.08 -0.08 0.02 -0.04 2.12 1.95 3n2cL1 VAL 269 HG13 -0.06 -0.02 -0.46 -0.04 0.97 0.39 3n2cL1 VAL 269 HG23 -0.01 -0.00 -0.26 -0.04 0.95 0.64 3n2cL1 PRO 270 HA -0.04 0.07 0.66 -0.51 4.44 4.62 3n2cL1 PRO 270 HB2 -0.02 -0.09 -0.02 -0.04 2.28 2.11 3n2cL1 PRO 270 HB3 0.06 0.04 0.03 -0.04 2.02 2.10 3n2cL1 PRO 270 HG2 -0.03 0.01 0.01 -0.04 2.03 1.99 3n2cL1 PRO 270 HG3 -0.11 0.12 -0.06 -0.04 2.03 1.94 3n2cL1 PRO 270 HD2 -0.09 0.28 0.20 -0.04 3.68 4.02 3n2cL1 PRO 270 HD3 -0.14 0.20 -0.25 -0.04 3.65 3.41 3n2cL1 THR 271 H 0.09 0.10 0.04 -0.55 8.28 7.97 3n2cL1 THR 271 HA -0.17 0.47 0.79 -0.75 4.39 4.73 3n2cL1 THR 271 HB -0.14 0.05 -0.14 -0.04 4.32 4.04 3n2cL1 THR 271 HG23 -0.51 0.00 -0.36 -0.04 1.22 0.31 3n2cL1 LEU 272 H -0.00 0.27 -0.06 -0.55 8.37 8.04 3n2cL1 LEU 272 HA 0.42 0.03 0.12 -0.75 4.35 4.17 3n2cL1 LEU 272 HB2 0.03 0.04 0.01 -0.04 1.64 1.69 3n2cL1 LEU 272 HB3 0.09 -0.01 0.03 -0.04 1.64 1.71 3n2cL1 LEU 272 HG 0.03 -0.02 -0.03 -0.04 1.64 1.59 3n2cL1 LEU 272 HD13 0.03 0.02 -0.11 -0.04 0.93 0.83 3n2cL1 LEU 272 HD23 0.07 -0.01 -0.07 -0.04 0.89 0.84 3n2cL1 VAL 273 H -0.04 0.22 -0.17 -0.55 8.24 7.70 3n2cL1 VAL 273 HA 0.02 0.05 0.39 -0.75 4.13 3.83 3n2cL1 VAL 273 HB -0.01 -0.08 0.06 -0.04 2.12 2.06 3n2cL1 VAL 273 HG13 -0.02 0.05 -0.03 -0.04 0.97 0.93 3n2cL1 VAL 273 HG23 0.08 0.02 -0.01 -0.04 0.95 1.00 3n2cL1 THR 274 H -0.12 0.42 -0.14 -0.55 8.28 7.89 3n2cL1 THR 274 HA -0.06 0.06 0.46 -0.75 4.39 4.10 3n2cL1 THR 274 HB -0.13 0.25 -0.05 -0.04 4.32 4.35 3n2cL1 THR 274 HG23 -0.56 0.07 -0.07 -0.04 1.22 0.62 3n2cL1 TYR 275 H -0.03 0.29 -0.29 -0.55 8.29 7.71 3n2cL1 TYR 275 HA 0.02 0.11 0.44 -0.75 4.56 4.38 3n2cL1 TYR 275 HB2 0.00 0.11 0.08 -0.04 3.06 3.21 3n2cL1 TYR 275 HB3 -0.00 0.03 0.00 -0.04 2.98 2.96 3n2cL1 TYR 275 HD2 0.03 0.02 -0.04 -0.04 7.15 7.12 3n2cL1 TYR 275 HE2 0.15 -0.09 -0.18 -0.04 6.85 6.69 3n2cL1 ASP 276 H 0.08 0.31 -0.06 -0.55 8.40 8.18 3n2cL1 ASP 276 HA -0.00 0.10 0.51 -0.75 4.63 4.48 3n2cL1 ASP 276 HB2 -0.03 0.08 0.09 -0.04 2.71 2.81 3n2cL1 ASP 276 HB3 -0.04 0.01 0.03 -0.04 2.70 2.65 3n2cL1 ALA 277 H -0.04 0.37 -0.25 -0.55 8.40 7.93 3n2cL1 ALA 277 HA -0.09 0.05 0.52 -0.75 4.34 4.06 3n2cL1 ALA 277 HB3 -0.03 0.04 0.08 -0.04 1.41 1.46 3n2cL1 LEU 278 H 0.01 0.28 -0.50 -0.55 8.37 7.61 3n2cL1 LEU 278 HA 0.03 0.07 0.48 -0.75 4.35 4.18 3n2cL1 LEU 278 HB2 0.05 0.10 0.09 -0.04 1.64 1.85 3n2cL1 LEU 278 HB3 0.04 -0.08 0.04 -0.04 1.64 1.60 3n2cL1 LEU 278 HG 0.02 0.19 0.01 -0.04 1.64 1.82 3n2cL1 LEU 278 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.83 3n2cL1 LEU 278 HD23 0.08 -0.01 -0.06 -0.04 0.89 0.86 3n2cL1 ALA 279 H -0.03 0.20 -0.43 -0.55 8.40 7.59 3n2cL1 ALA 279 HA -0.03 0.07 0.55 -0.75 4.34 4.16 3n2cL1 ALA 279 HB3 -0.04 0.05 0.11 -0.04 1.41 1.49 3n2cL1 LYS 280 H -0.21 0.17 -0.25 -0.55 8.42 7.57 3n2cL1 LYS 280 HA -0.23 0.20 0.88 -0.75 4.32 4.41 3n2cL1 LYS 280 HB2 -0.87 0.01 0.13 -0.04 1.87 1.10 3n2cL1 LYS 280 HB3 -0.76 -0.01 -0.01 -0.04 1.79 0.96 3n2cL1 LYS 280 HG2 -0.22 -0.01 -0.01 -0.04 1.46 1.18 3n2cL1 LYS 280 HG3 -0.19 0.04 -0.08 -0.04 1.46 1.19 3n2cL1 LYS 280 HD2 -0.11 -0.03 -0.03 -0.04 1.69 1.47 3n2cL1 LYS 280 HD3 -0.16 0.07 -0.01 -0.04 1.68 1.54 3n2cL1 LYS 280 HE2 -0.12 -0.04 -0.07 -0.04 2.99 2.72 3n2cL1 LYS 280 HE3 -0.26 -0.00 0.03 -0.04 2.99 2.71 3n2cL1 HIS 281 H -0.30 0.44 0.01 -0.55 8.41 8.02 3n2cL1 HIS 281 HA -0.26 0.12 0.62 -0.75 4.63 4.36 3n2cL1 HIS 281 HB2 -0.06 0.11 0.21 -0.04 3.26 3.49 3n2cL1 HIS 281 HB3 -0.83 -0.06 0.14 -0.04 3.20 2.41 3n2cL1 HIS 281 HD2 -0.16 0.02 0.15 -0.04 6.97 6.94 3n2cL1 HIS 281 HE1 -0.00 0.02 -0.04 -0.04 7.75 7.68 3n2cL1 GLY 282 H -0.07 0.27 -0.57 -0.55 8.43 7.52 3n2cL1 GLY 282 HA2 0.04 0.07 0.48 -0.51 4.01 4.09 3n2cL1 GLY 282 HA3 -0.00 0.24 0.33 -0.51 4.01 4.07 3n2cL1 ALA 283 H -0.02 0.21 0.02 -0.55 8.40 8.06 3n2cL1 ALA 283 HA 0.01 0.29 0.44 -0.75 4.34 4.32 3n2cL1 ALA 283 HB3 -0.01 0.01 0.04 -0.04 1.41 1.41 3n2cL1 GLU 284 H -0.07 -0.00 -0.77 -0.55 8.60 7.21 3n2cL1 GLU 284 HA -0.07 0.12 0.44 -0.75 4.29 4.02 3n2cL1 GLU 284 HB2 -0.15 0.07 0.04 -0.04 2.09 2.01 3n2cL1 GLU 284 HB3 -0.34 -0.04 -0.02 -0.04 1.99 1.55 3n2cL1 GLU 284 HG2 -0.51 0.02 -0.23 -0.04 2.34 1.58 3n2cL1 GLU 284 HG3 -0.15 0.00 -0.01 -0.04 2.34 2.14 3n2cL1 PHE 285 H -0.01 0.37 -0.17 -0.55 8.34 7.98 3n2cL1 PHE 285 HA 0.03 0.18 0.56 -0.75 4.62 4.64 3n2cL1 PHE 285 HB2 0.05 0.15 0.16 -0.04 3.15 3.47 3n2cL1 PHE 285 HB3 0.03 -0.13 0.24 -0.04 3.06 3.15 3n2cL1 PHE 285 HD2 0.06 0.08 0.01 -0.04 7.28 7.39 3n2cL1 PHE 285 HE2 0.02 0.01 -0.03 -0.04 7.38 7.34 3n2cL1 PHE 285 HZ -0.06 0.02 -0.04 -0.04 7.32 7.20 3n2cL1 GLY 286 H 0.08 0.24 -0.77 -0.55 8.43 7.43 3n2cL1 GLY 286 HA2 0.05 0.09 0.17 -0.51 4.01 3.81 3n2cL1 GLY 286 HA3 0.06 0.06 0.50 -0.51 4.01 4.12 3n2cL1 MET 287 H 0.07 0.20 -0.17 -0.55 8.47 8.03 3n2cL1 MET 287 HA 0.02 0.01 0.40 -0.75 4.52 4.18 3n2cL1 MET 287 HB2 0.05 -0.05 -0.08 -0.04 2.15 2.03 3n2cL1 MET 287 HB3 0.05 0.20 -0.10 -0.04 2.03 2.13 3n2cL1 MET 287 HG2 0.03 0.05 -0.32 -0.04 2.63 2.35 3n2cL1 MET 287 HG3 0.02 0.01 0.04 -0.04 2.56 2.59 3n2cL1 MET 287 HE3 0.05 -0.02 -0.20 -0.04 2.10 1.89 3n2cL1 PRO 288 HA 0.01 0.17 0.35 -0.51 4.44 4.46 3n2cL1 PRO 288 HB2 0.02 -0.16 0.00 -0.04 2.28 2.11 3n2cL1 PRO 288 HB3 0.01 0.07 0.14 -0.04 2.02 2.20 3n2cL1 PRO 288 HG2 0.03 0.03 0.10 -0.04 2.03 2.14 3n2cL1 PRO 288 HG3 0.01 0.10 0.13 -0.04 2.03 2.22 3n2cL1 PRO 288 HD2 0.00 0.10 0.21 -0.04 3.68 3.95 3n2cL1 PRO 288 HD3 -0.01 0.13 0.24 -0.04 3.65 3.96 3n2cL1 PRO 289 HA 0.01 0.10 0.40 -0.51 4.44 4.44 3n2cL1 PRO 289 HB2 0.01 0.04 -0.01 -0.04 2.28 2.27 3n2cL1 PRO 289 HB3 0.00 0.07 0.11 -0.04 2.02 2.16 3n2cL1 PRO 289 HG2 0.01 0.06 0.10 -0.04 2.03 2.16 3n2cL1 PRO 289 HG3 0.01 0.11 0.12 -0.04 2.03 2.23 3n2cL1 PRO 289 HD2 0.01 -0.01 0.17 -0.04 3.68 3.82 3n2cL1 PRO 289 HD3 0.01 0.18 0.25 -0.04 3.65 4.05 3n2cL1 GLU 290 H 0.02 0.16 -0.08 -0.55 8.60 8.16 3n2cL1 GLU 290 HA 0.01 0.07 0.44 -0.75 4.29 4.06 3n2cL1 GLU 290 HB2 0.02 0.10 -0.03 -0.04 2.09 2.15 3n2cL1 GLU 290 HB3 0.02 0.00 0.08 -0.04 1.99 2.05 3n2cL1 GLU 290 HG2 0.03 -0.14 -0.04 -0.04 2.34 2.16 3n2cL1 GLU 290 HG3 0.03 0.20 -0.01 -0.04 2.34 2.52 3n2cL1 SER 291 H 0.03 0.06 -0.46 -0.55 8.46 7.54 3n2cL1 SER 291 HA 0.06 0.24 0.28 -0.75 4.49 4.31 3n2cL1 SER 291 HB2 0.04 0.15 0.02 -0.04 3.95 4.11 3n2cL1 SER 291 HB3 0.06 -0.10 -0.16 -0.04 3.93 3.70 3n2cL1 VAL 292 H 0.02 0.35 -0.35 -0.55 8.24 7.72 3n2cL1 VAL 292 HA 0.03 0.03 0.46 -0.75 4.13 3.89 3n2cL1 VAL 292 HB 0.00 0.13 0.04 -0.04 2.12 2.25 3n2cL1 VAL 292 HG13 -0.01 0.00 0.01 -0.04 0.97 0.94 3n2cL1 VAL 292 HG23 0.01 0.04 -0.11 -0.04 0.95 0.85 3n2cL1 ALA 293 H 0.01 0.37 -0.24 -0.55 8.40 7.99 3n2cL1 ALA 293 HA -0.01 0.01 0.46 -0.75 4.34 4.04 3n2cL1 ALA 293 HB3 0.00 0.06 0.15 -0.04 1.41 1.58 3n2cL1 LYS 294 H 0.02 0.41 -0.34 -0.55 8.42 7.95 3n2cL1 LYS 294 HA -0.02 0.07 0.79 -0.75 4.32 4.41 3n2cL1 LYS 294 HB2 0.03 0.20 0.11 -0.04 1.87 2.16 3n2cL1 LYS 294 HB3 0.00 -0.07 0.03 -0.04 1.79 1.71 3n2cL1 LYS 294 HG2 -0.02 -0.19 0.08 -0.04 1.46 1.30 3n2cL1 LYS 294 HG3 -0.00 0.00 -0.06 -0.04 1.46 1.36 3n2cL1 LYS 294 HD2 0.03 0.27 0.09 -0.04 1.69 2.04 3n2cL1 LYS 294 HD3 0.01 -0.30 0.11 -0.04 1.68 1.47 3n2cL1 LYS 294 HE2 0.02 -0.11 -0.13 -0.04 2.99 2.73 3n2cL1 LYS 294 HE3 0.04 0.05 -0.13 -0.04 2.99 2.90 3n2cL1 VAL 295 H 0.02 0.37 -0.27 -0.55 8.24 7.80 3n2cL1 VAL 295 HA 0.04 0.03 0.58 -0.75 4.13 4.02 3n2cL1 VAL 295 HB 0.08 0.18 0.09 -0.04 2.12 2.42 3n2cL1 VAL 295 HG13 0.04 0.06 -0.11 -0.04 0.97 0.92 3n2cL1 VAL 295 HG23 0.23 -0.04 0.01 -0.04 0.95 1.11 3n2cL1 ALA 296 H -0.02 0.31 -0.23 -0.55 8.40 7.91 3n2cL1 ALA 296 HA -0.03 0.10 0.38 -0.75 4.34 4.04 3n2cL1 ALA 296 HB3 -0.03 0.04 0.06 -0.04 1.41 1.45 3n2cL1 SER 297 H -0.08 0.19 -0.38 -0.55 8.46 7.65 3n2cL1 SER 297 HA -0.08 0.18 0.63 -0.75 4.49 4.46 3n2cL1 SER 297 HB2 -0.09 -0.02 0.01 -0.04 3.95 3.80 3n2cL1 SER 297 HB3 -0.06 0.05 0.00 -0.04 3.93 3.87 3n2cL1 VAL 298 H -0.19 0.24 -0.13 -0.55 8.24 7.61 3n2cL1 VAL 298 HA -0.30 0.08 0.46 -0.75 4.13 3.62 3n2cL1 VAL 298 HB -0.69 -0.01 -0.07 -0.04 2.12 1.30 3n2cL1 VAL 298 HG13 -0.95 -0.01 -0.02 -0.04 0.97 -0.06 3n2cL1 VAL 298 HG23 -0.22 0.10 0.07 -0.04 0.95 0.86 3n2cL1 GLN 299 H -0.19 0.27 -0.36 -0.55 8.47 7.65 3n2cL1 GLN 299 HA -0.27 0.06 0.50 -0.75 4.36 3.90 3n2cL1 GLN 299 HB2 -0.04 -0.04 0.03 -0.04 2.15 2.07 3n2cL1 GLN 299 HB3 -0.06 0.01 -0.00 -0.04 2.02 1.93 3n2cL1 GLN 299 HG2 -0.06 0.11 -0.04 -0.04 2.40 2.36 3n2cL1 GLN 299 HG3 -0.06 0.04 -0.23 -0.04 2.39 2.10 3n2cL1 GLN 299 HE21 -0.02 -0.03 -0.01 -0.04 6.97 6.88 3n2cL1 GLN 299 HE22 -0.03 0.08 0.04 -0.04 7.69 7.74 3n2cL1 GLN 300 H -0.12 0.22 -0.50 -0.55 8.47 7.52 3n2cL1 GLN 300 HA -0.06 0.08 0.40 -0.75 4.36 4.03 3n2cL1 GLN 300 HB2 -0.08 0.05 0.14 -0.04 2.15 2.22 3n2cL1 GLN 300 HB3 -0.06 -0.02 0.04 -0.04 2.02 1.95 3n2cL1 GLN 300 HG2 -0.08 0.05 0.17 -0.04 2.40 2.50 3n2cL1 GLN 300 HG3 -0.07 -0.03 0.13 -0.04 2.39 2.38 3n2cL1 GLN 300 HE21 -0.04 -0.06 0.03 -0.04 6.97 6.86 3n2cL1 GLN 300 HE22 -0.05 0.41 0.13 -0.04 7.69 8.14 3n2cL1 LYS 301 H -0.10 0.24 -0.11 -0.55 8.42 7.90 3n2cL1 LYS 301 HA -0.06 0.09 0.62 -0.75 4.32 4.22 3n2cL1 LYS 301 HB2 -0.08 0.04 0.12 -0.04 1.87 1.91 3n2cL1 LYS 301 HB3 -0.07 0.10 0.26 -0.04 1.79 2.04 3n2cL1 LYS 301 HG2 -0.06 0.02 0.06 -0.04 1.46 1.43 3n2cL1 LYS 301 HG3 -0.06 -0.01 0.03 -0.04 1.46 1.39 3n2cL1 LYS 301 HD2 -0.06 -0.05 -0.08 -0.04 1.69 1.46 3n2cL1 LYS 301 HD3 -0.07 0.02 0.02 -0.04 1.68 1.60 3n2cL1 LYS 301 HE2 -0.05 -0.01 -0.01 -0.04 2.99 2.88 3n2cL1 LYS 301 HE3 -0.05 0.01 -0.02 -0.04 2.99 2.90 3n2cL1 GLY 302 H -0.08 0.31 -0.96 -0.55 8.43 7.15 3n2cL1 GLY 302 HA2 -0.06 0.07 0.27 -0.51 4.01 3.78 3n2cL1 GLY 302 HA3 -0.06 0.09 0.28 -0.51 4.01 3.80 3n2cL1 ARG 303 H -0.02 0.23 0.03 -0.55 8.46 8.15 3n2cL1 ARG 303 HA 0.02 0.10 0.60 -0.75 4.34 4.30 3n2cL1 ARG 303 HB2 -0.01 0.02 0.09 -0.04 1.90 1.96 3n2cL1 ARG 303 HB3 0.01 0.05 0.01 -0.04 1.80 1.82 3n2cL1 ARG 303 HG2 0.02 0.05 0.03 -0.04 1.67 1.73 3n2cL1 ARG 303 HG3 0.01 -0.06 0.03 -0.04 1.67 1.61 3n2cL1 ARG 303 HD2 0.00 0.02 0.03 -0.04 3.22 3.23 3n2cL1 ARG 303 HD3 0.01 0.04 -0.00 -0.04 3.22 3.23 3n2cL1 GLU 304 H -0.03 0.09 -0.32 -0.55 8.60 7.79 3n2cL1 GLU 304 HA -0.03 0.05 0.35 -0.75 4.29 3.91 3n2cL1 GLU 304 HB2 -0.04 0.02 0.10 -0.04 2.09 2.14 3n2cL1 GLU 304 HB3 -0.05 0.10 0.10 -0.04 1.99 2.09 3n2cL1 GLU 304 HG2 -0.06 0.01 -0.10 -0.04 2.34 2.15 3n2cL1 GLU 304 HG3 -0.04 -0.02 0.06 -0.04 2.34 2.30 3n2cL1 SER 305 H -0.04 0.60 -0.17 -0.55 8.46 8.30 3n2cL1 SER 305 HA -0.20 -0.02 0.48 -0.75 4.49 4.00 3n2cL1 SER 305 HB2 -0.17 0.00 0.03 -0.04 3.95 3.77 3n2cL1 SER 305 HB3 -0.07 0.11 0.15 -0.04 3.93 4.08 3n2cL1 LEU 306 H 0.03 0.31 -0.30 -0.55 8.37 7.85 3n2cL1 LEU 306 HA 0.28 0.05 0.29 -0.75 4.35 4.21 3n2cL1 LEU 306 HB2 0.05 0.19 0.17 -0.04 1.64 2.01 3n2cL1 LEU 306 HB3 0.07 -0.00 -0.02 -0.04 1.64 1.64 3n2cL1 LEU 306 HG 0.12 0.02 0.04 -0.04 1.64 1.78 3n2cL1 LEU 306 HD13 0.12 0.02 0.02 -0.04 0.93 1.05 3n2cL1 LEU 306 HD23 0.04 -0.01 0.02 -0.04 0.89 0.89 3n2cL1 GLU 307 H -0.01 0.30 -0.34 -0.55 8.60 8.00 3n2cL1 GLU 307 HA 0.01 0.11 0.60 -0.75 4.29 4.26 3n2cL1 GLU 307 HB2 -0.04 0.20 0.15 -0.04 2.09 2.35 3n2cL1 GLU 307 HB3 -0.02 -0.04 0.01 -0.04 1.99 1.89 3n2cL1 GLU 307 HG2 -0.00 0.04 0.03 -0.04 2.34 2.37 3n2cL1 GLU 307 HG3 -0.01 0.06 0.04 -0.04 2.34 2.39 3n2cL1 ILE 308 H -0.12 0.36 -0.11 -0.55 8.25 7.83 3n2cL1 ILE 308 HA -0.08 0.01 0.36 -0.75 4.18 3.72 3n2cL1 ILE 308 HB -0.33 0.10 -0.01 -0.04 1.89 1.61 3n2cL1 ILE 308 HG12 -0.10 -0.07 0.03 -0.04 1.49 1.32 3n2cL1 ILE 308 HG13 -0.14 0.21 0.24 -0.04 1.21 1.47 3n2cL1 ILE 308 HG23 -0.11 -0.04 -0.07 -0.04 0.93 0.67 3n2cL1 ILE 308 HD13 -0.15 -0.05 -0.05 -0.04 0.88 0.59 3n2cL1 TYR 309 H -0.14 0.46 -0.15 -0.55 8.29 7.91 3n2cL1 TYR 309 HA -0.01 0.02 0.54 -0.75 4.56 4.36 3n2cL1 TYR 309 HB2 0.00 0.05 0.02 -0.04 3.06 3.09 3n2cL1 TYR 309 HB3 0.01 0.16 -0.08 -0.04 2.98 3.02 3n2cL1 TYR 309 HD2 0.01 -0.04 -0.14 -0.04 7.15 6.93 3n2cL1 TYR 309 HE2 0.01 -0.03 -0.12 -0.04 6.85 6.67 3n2cL1 ALA 310 H 0.08 0.31 -0.30 -0.55 8.40 7.95 3n2cL1 ALA 310 HA 0.04 0.10 0.56 -0.75 4.34 4.29 3n2cL1 ALA 310 HB3 0.03 0.02 0.14 -0.04 1.41 1.56 3n2cL1 ASN 311 H -0.00 0.41 -0.14 -0.55 8.53 8.24 3n2cL1 ASN 311 HA -0.03 0.05 0.51 -0.75 4.76 4.54 3n2cL1 ASN 311 HB2 -0.04 0.04 0.22 -0.04 2.88 3.05 3n2cL1 ASN 311 HB3 -0.04 -0.06 -0.02 -0.04 2.79 2.64 3n2cL1 ASN 311 HD21 -0.03 -0.04 -0.08 -0.04 7.03 6.84 3n2cL1 ASN 311 HD22 -0.04 -0.08 -0.04 -0.04 7.74 7.54 3n2cL1 ALA 312 H -0.02 0.47 -0.08 -0.55 8.40 8.22 3n2cL1 ALA 312 HA -0.11 0.07 0.48 -0.75 4.34 4.03 3n2cL1 ALA 312 HB3 -0.01 -0.02 -0.02 -0.04 1.41 1.32 3n2cL1 GLY 313 H -0.05 0.13 -0.71 -0.55 8.43 7.26 3n2cL1 GLY 313 HA2 -0.05 0.05 0.19 -0.51 4.01 3.68 3n2cL1 GLY 313 HA3 -0.23 0.04 0.35 -0.51 4.01 3.66 3n2cL1 VAL 314 H 0.05 0.40 0.01 -0.55 8.24 8.15 3n2cL1 VAL 314 HA 0.03 0.10 0.48 -0.75 4.13 3.99 3n2cL1 VAL 314 HB 0.12 -0.11 0.01 -0.04 2.12 2.09 3n2cL1 VAL 314 HG13 -0.01 0.01 -0.11 -0.04 0.97 0.82 3n2cL1 VAL 314 HG23 0.15 -0.03 -0.06 -0.04 0.95 0.97 3n2cL1 LYS 315 H -0.10 0.18 0.10 -0.55 8.42 8.04 3n2cL1 LYS 315 HA 0.02 0.03 0.41 -0.75 4.32 4.03 3n2cL1 LYS 315 HB2 -0.20 0.06 0.10 -0.04 1.87 1.78 3n2cL1 LYS 315 HB3 0.24 -0.03 -0.10 -0.04 1.79 1.86 3n2cL1 LYS 315 HG2 0.15 -0.04 -0.01 -0.04 1.46 1.51 3n2cL1 LYS 315 HG3 0.05 -0.02 0.01 -0.04 1.46 1.46 3n2cL1 LYS 315 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 3n2cL1 LYS 315 HD3 -0.09 0.08 0.03 -0.04 1.68 1.66 3n2cL1 LYS 315 HE2 -0.23 0.02 -0.02 -0.04 2.99 2.72 3n2cL1 LYS 315 HE3 0.09 -0.06 -0.01 -0.04 2.99 2.97 3n2cL1 MET 316 H 0.04 0.14 0.17 -0.55 8.47 8.27 3n2cL1 MET 316 HA -0.05 0.36 1.04 -0.75 4.52 5.11 3n2cL1 MET 316 HB2 0.02 -0.06 0.12 -0.04 2.15 2.19 3n2cL1 MET 316 HB3 -0.02 0.00 0.00 -0.04 2.03 1.98 3n2cL1 MET 316 HG2 -0.18 -0.01 -0.07 -0.04 2.63 2.32 3n2cL1 MET 316 HG3 -0.07 0.16 -0.33 -0.04 2.56 2.29 3n2cL1 MET 316 HE3 0.08 0.01 -0.11 -0.04 2.10 2.03 3n2cL1 GLY 317 H -0.00 0.65 0.39 -0.55 8.43 8.91 3n2cL1 GLY 317 HA2 0.06 0.16 0.90 -0.51 4.01 4.61 3n2cL1 GLY 317 HA3 0.02 0.01 0.32 -0.51 4.01 3.85 3n2cL1 PHE 318 H 0.17 0.47 0.23 -0.55 8.34 8.65 3n2cL1 PHE 318 HA -0.10 0.08 0.58 -0.75 4.62 4.41 3n2cL1 PHE 318 HB2 -0.14 -0.06 -0.29 -0.04 3.15 2.62 3n2cL1 PHE 318 HB3 -0.00 0.17 0.21 -0.04 3.06 3.40 3n2cL1 PHE 318 HD2 -0.28 -0.05 -0.12 -0.04 7.28 6.80 3n2cL1 PHE 318 HE2 -0.43 -0.10 -0.13 -0.04 7.38 6.68 3n2cL1 PHE 318 HZ 0.05 0.18 0.04 -0.04 7.32 7.55 3n2cL1 GLY 319 H -0.62 0.29 0.24 -0.55 8.43 7.79 3n2cL1 GLY 319 HA2 -0.12 -0.10 0.82 -0.51 4.01 4.10 3n2cL1 GLY 319 HA3 -0.20 0.17 0.17 -0.51 4.01 3.63 3n2cL1 SER 320 H -0.11 0.16 0.14 -0.55 8.46 8.10 3n2cL1 SER 320 HA -0.21 0.11 0.93 -0.75 4.49 4.56 3n2cL1 SER 320 HB2 -0.03 -0.00 -0.04 -0.04 3.95 3.85 3n2cL1 SER 320 HB3 -0.04 0.11 -0.00 -0.04 3.93 3.95 3n2cL1 ASP 321 H -0.03 0.36 0.27 -0.55 8.40 8.45 3n2cL1 ASP 321 HA -0.00 0.05 0.23 -0.75 4.63 4.16 3n2cL1 ASP 321 HB2 0.04 -0.03 -0.25 -0.04 2.71 2.43 3n2cL1 ASP 321 HB3 -0.05 0.09 -0.01 -0.04 2.70 2.69 3n2cL1 LEU 322 H -0.07 0.00 -0.23 -0.55 8.37 7.52 3n2cL1 LEU 322 HA -0.08 0.07 0.30 -0.75 4.35 3.88 3n2cL1 LEU 322 HB2 -0.30 -0.03 -0.17 -0.04 1.64 1.09 3n2cL1 LEU 322 HB3 -0.16 0.04 -0.58 -0.04 1.64 0.90 3n2cL1 LEU 322 HG -0.03 -0.07 -0.39 -0.04 1.64 1.11 3n2cL1 LEU 322 HD13 0.08 0.03 -0.27 -0.04 0.93 0.73 3n2cL1 LEU 322 HD23 0.08 0.03 -0.24 -0.04 0.89 0.72 3n2cL1 LEU 323 H -0.06 0.14 0.10 -0.55 8.37 8.00 3n2cL1 LEU 323 HA -0.06 0.21 0.72 -0.75 4.35 4.47 3n2cL1 LEU 323 HB2 0.01 -0.07 0.04 -0.04 1.64 1.58 3n2cL1 LEU 323 HB3 -0.01 0.07 -0.08 -0.04 1.64 1.59 3n2cL1 LEU 323 HG 0.04 0.08 -0.01 -0.04 1.64 1.70 3n2cL1 LEU 323 HD13 0.03 0.02 0.04 -0.04 0.93 0.97 3n2cL1 LEU 323 HD23 0.10 0.00 -0.13 -0.04 0.89 0.82 3n2cL1 GLY 324 H 0.04 0.35 -0.25 -0.55 8.43 8.02 3n2cL1 GLY 324 HA2 0.01 0.31 -0.29 -0.51 4.01 3.53 3n2cL1 GLY 324 HA3 -0.05 -0.11 0.33 -0.51 4.01 3.67 3n2cL1 GLU 325 H -0.22 0.15 0.18 -0.55 8.60 8.16 3n2cL1 GLU 325 HA -0.05 0.16 0.51 -0.75 4.29 4.16 3n2cL1 GLU 325 HB2 -0.23 0.01 0.17 -0.04 2.09 1.99 3n2cL1 GLU 325 HB3 -0.20 0.07 0.14 -0.04 1.99 1.97 3n2cL1 GLU 325 HG2 -1.04 -0.01 -0.05 -0.04 2.34 1.19 3n2cL1 GLU 325 HG3 -0.66 0.03 0.02 -0.04 2.34 1.68 3n2cL1 MET 326 H -0.10 0.26 -0.48 -0.55 8.47 7.60 3n2cL1 MET 326 HA 0.19 0.07 0.54 -0.75 4.52 4.57 3n2cL1 MET 326 HB2 0.06 0.35 -0.01 -0.04 2.15 2.50 3n2cL1 MET 326 HB3 0.22 -0.08 0.03 -0.04 2.03 2.16 3n2cL1 MET 326 HG2 0.54 -0.03 0.04 -0.04 2.63 3.14 3n2cL1 MET 326 HG3 0.38 -0.05 0.01 -0.04 2.56 2.87 3n2cL1 MET 326 HE3 0.25 -0.00 0.05 -0.04 2.10 2.35 3n2cL1 HIS 327 H 0.01 0.33 -0.71 -0.55 8.41 7.50 3n2cL1 HIS 327 HA 0.02 -0.02 0.27 -0.75 4.63 4.15 3n2cL1 HIS 327 HB2 -0.06 0.05 -0.05 -0.04 3.26 3.17 3n2cL1 HIS 327 HB3 -0.04 -0.00 -0.12 -0.04 3.20 3.00 3n2cL1 HIS 327 HD2 -0.02 -0.14 -0.07 -0.04 6.97 6.69 3n2cL1 HIS 327 HE1 0.00 0.26 0.09 -0.04 7.75 8.06 3n2cL1 ALA 328 H -0.13 0.33 -0.40 -0.55 8.40 7.65 3n2cL1 ALA 328 HA -0.11 0.10 0.40 -0.75 4.34 3.98 3n2cL1 ALA 328 HB3 -0.52 0.02 0.05 -0.04 1.41 0.91 3n2cL1 PHE 329 H -0.13 0.36 -0.37 -0.55 8.34 7.65 3n2cL1 PHE 329 HA 0.08 0.10 0.37 -0.75 4.62 4.41 3n2cL1 PHE 329 HB2 0.05 0.09 0.06 -0.04 3.15 3.31 3n2cL1 PHE 329 HB3 0.07 -0.07 0.15 -0.04 3.06 3.17 3n2cL1 PHE 329 HD2 0.06 0.11 0.03 -0.04 7.28 7.44 3n2cL1 PHE 329 HE2 0.07 0.00 -0.00 -0.04 7.38 7.41 3n2cL1 PHE 329 HZ -0.09 0.01 -0.01 -0.04 7.32 7.19 3n2cL1 GLN 330 H 0.12 0.51 -0.60 -0.55 8.47 7.95 3n2cL1 GLN 330 HA 0.15 -0.01 0.26 -0.75 4.36 4.01 3n2cL1 GLN 330 HB2 0.10 0.26 0.05 -0.04 2.15 2.52 3n2cL1 GLN 330 HB3 0.16 0.06 0.04 -0.04 2.02 2.24 3n2cL1 GLN 330 HG2 0.05 -0.05 -0.12 -0.04 2.40 2.24 3n2cL1 GLN 330 HG3 -0.02 -0.13 -0.02 -0.04 2.39 2.18 3n2cL1 GLN 330 HE21 -0.87 0.06 -0.08 -0.04 6.97 6.03 3n2cL1 GLN 330 HE22 -0.77 -0.12 -0.09 -0.04 7.69 6.67 3n2cL1 SER 331 H 0.24 0.23 -0.00 -0.55 8.46 8.38 3n2cL1 SER 331 HA 0.51 0.13 0.52 -0.75 4.49 4.89 3n2cL1 SER 331 HB2 0.17 -0.11 0.04 -0.04 3.95 4.02 3n2cL1 SER 331 HB3 0.14 0.10 0.02 -0.04 3.93 4.15 3n2cL1 GLY 332 H 0.25 0.22 -0.49 -0.55 8.43 7.86 3n2cL1 GLY 332 HA2 0.19 0.05 0.38 -0.51 4.01 4.12 3n2cL1 GLY 332 HA3 0.19 0.11 0.28 -0.51 4.01 4.08 3n2cL1 GLU 333 H 0.23 0.36 -0.35 -0.55 8.60 8.29 3n2cL1 GLU 333 HA 0.03 0.00 0.53 -0.75 4.29 4.10 3n2cL1 GLU 333 HB2 -0.15 -0.03 0.12 -0.04 2.09 2.00 3n2cL1 GLU 333 HB3 -0.20 0.14 0.05 -0.04 1.99 1.94 3n2cL1 GLU 333 HG2 -0.93 0.13 0.02 -0.04 2.34 1.52 3n2cL1 GLU 333 HG3 -0.32 -0.01 -0.16 -0.04 2.34 1.81 3n2cL1 PHE 334 H 0.45 0.35 -0.17 -0.55 8.34 8.42 3n2cL1 PHE 334 HA 0.20 0.08 0.41 -0.75 4.62 4.56 3n2cL1 PHE 334 HB2 0.07 0.32 0.14 -0.04 3.15 3.63 3n2cL1 PHE 334 HB3 0.03 -0.05 -0.10 -0.04 3.06 2.89 3n2cL1 PHE 334 HD2 -0.06 0.00 -0.03 -0.04 7.28 7.15 3n2cL1 PHE 334 HE2 -0.72 0.03 -0.01 -0.04 7.38 6.63 3n2cL1 PHE 334 HZ -1.27 0.04 -0.00 -0.04 7.32 6.05 3n2cL1 ARG 335 H 0.24 0.26 -0.34 -0.55 8.46 8.06 3n2cL1 ARG 335 HA 0.12 -0.00 0.34 -0.75 4.34 4.05 3n2cL1 ARG 335 HB2 0.14 0.01 0.09 -0.04 1.90 2.09 3n2cL1 ARG 335 HB3 0.10 0.11 0.01 -0.04 1.80 1.98 3n2cL1 ARG 335 HG2 0.07 0.00 -0.00 -0.04 1.67 1.70 3n2cL1 ARG 335 HG3 0.08 -0.12 -0.08 -0.04 1.67 1.51 3n2cL1 ARG 335 HD2 0.06 -0.03 -0.05 -0.04 3.22 3.15 3n2cL1 ARG 335 HD3 0.09 0.05 -0.04 -0.04 3.22 3.27 3n2cL1 ILE 336 H 0.10 0.32 -0.18 -0.55 8.25 7.94 3n2cL1 ILE 336 HA 0.05 0.07 0.47 -0.75 4.18 4.01 3n2cL1 ILE 336 HB 0.04 0.06 0.09 -0.04 1.89 2.03 3n2cL1 ILE 336 HG12 0.04 -0.01 -0.01 -0.04 1.49 1.47 3n2cL1 ILE 336 HG13 0.07 0.13 0.11 -0.04 1.21 1.48 3n2cL1 ILE 336 HG23 0.03 -0.01 -0.02 -0.04 0.93 0.89 3n2cL1 ILE 336 HD13 0.04 -0.03 -0.09 -0.04 0.88 0.75 3n2cL1 ARG 337 H 0.07 0.53 -0.12 -0.55 8.46 8.39 3n2cL1 ARG 337 HA 0.04 0.05 0.49 -0.75 4.34 4.17 3n2cL1 ARG 337 HB2 0.08 0.09 0.16 -0.04 1.90 2.18 3n2cL1 ARG 337 HB3 0.06 -0.03 -0.01 -0.04 1.80 1.78 3n2cL1 ARG 337 HG2 0.00 -0.03 0.02 -0.04 1.67 1.62 3n2cL1 ARG 337 HG3 -0.03 0.06 0.01 -0.04 1.67 1.66 3n2cL1 ARG 337 HD2 0.02 0.03 -0.02 -0.04 3.22 3.20 3n2cL1 ARG 337 HD3 0.01 0.04 -0.05 -0.04 3.22 3.17 3n2cL1 ALA 338 H 0.11 0.51 -0.17 -0.55 8.40 8.30 3n2cL1 ALA 338 HA 0.07 0.17 0.21 -0.75 4.34 4.04 3n2cL1 ALA 338 HB3 0.09 0.01 -0.03 -0.04 1.41 1.45 3n2cL1 GLU 339 H 0.06 0.32 -0.35 -0.55 8.60 8.08 3n2cL1 GLU 339 HA 0.04 0.02 0.39 -0.75 4.29 3.99 3n2cL1 GLU 339 HB2 0.04 0.17 0.14 -0.04 2.09 2.40 3n2cL1 GLU 339 HB3 0.03 -0.03 0.01 -0.04 1.99 1.96 3n2cL1 GLU 339 HG2 0.03 -0.04 0.05 -0.04 2.34 2.34 3n2cL1 GLU 339 HG3 0.05 0.06 0.08 -0.04 2.34 2.49 3n2cL1 VAL 340 H 0.04 0.17 -0.43 -0.55 8.24 7.46 3n2cL1 VAL 340 HA 0.02 0.16 0.85 -0.75 4.13 4.41 3n2cL1 VAL 340 HB 0.03 0.04 0.12 -0.04 2.12 2.27 3n2cL1 VAL 340 HG13 0.02 0.02 -0.09 -0.04 0.97 0.88 3n2cL1 VAL 340 HG23 0.02 -0.01 -0.06 -0.04 0.95 0.86 3n2cL1 LEU 341 H 0.04 0.58 0.19 -0.55 8.37 8.64 3n2cL1 LEU 341 HA 0.03 0.19 0.68 -0.75 4.35 4.50 3n2cL1 LEU 341 HB2 0.05 0.02 0.03 -0.04 1.64 1.70 3n2cL1 LEU 341 HB3 0.04 -0.04 0.14 -0.04 1.64 1.74 3n2cL1 LEU 341 HG 0.05 0.03 0.09 -0.04 1.64 1.77 3n2cL1 LEU 341 HD13 0.05 -0.02 -0.04 -0.04 0.93 0.89 3n2cL1 LEU 341 HD23 0.05 -0.01 -0.17 -0.04 0.89 0.72 3n2cL1 GLY 342 H 0.04 0.35 -0.08 -0.55 8.43 8.20 3n2cL1 GLY 342 HA2 0.04 0.14 0.42 -0.51 4.01 4.10 3n2cL1 GLY 342 HA3 0.04 0.10 0.74 -0.51 4.01 4.39 3n2cL1 ASN 343 H 0.05 0.26 0.12 -0.55 8.53 8.41 3n2cL1 ASN 343 HA 0.09 0.08 0.90 -0.75 4.76 5.09 3n2cL1 ASN 343 HB2 0.06 0.08 0.12 -0.04 2.88 3.10 3n2cL1 ASN 343 HB3 0.08 -0.07 0.01 -0.04 2.79 2.77 3n2cL1 ASN 343 HD21 0.02 0.22 -0.22 -0.04 7.03 7.01 3n2cL1 ASN 343 HD22 0.03 -0.08 -0.15 -0.04 7.74 7.50 3n2cL1 LEU 344 H 0.05 0.11 -0.19 -0.55 8.37 7.79 3n2cL1 LEU 344 HA 0.05 0.20 0.81 -0.75 4.35 4.66 3n2cL1 LEU 344 HB2 0.03 -0.01 0.12 -0.04 1.64 1.73 3n2cL1 LEU 344 HB3 0.04 0.05 0.01 -0.04 1.64 1.70 3n2cL1 LEU 344 HG 0.02 0.05 0.07 -0.04 1.64 1.74 3n2cL1 LEU 344 HD13 0.02 0.01 0.02 -0.04 0.93 0.93 3n2cL1 LEU 344 HD23 0.03 -0.02 0.07 -0.04 0.89 0.92 3n2cL1 GLU 345 H 0.05 0.16 -0.04 -0.55 8.60 8.23 3n2cL1 GLU 345 HA 0.06 0.11 0.54 -0.75 4.29 4.25 3n2cL1 GLU 345 HB2 0.04 0.07 0.14 -0.04 2.09 2.30 3n2cL1 GLU 345 HB3 0.05 0.09 0.01 -0.04 1.99 2.10 3n2cL1 GLU 345 HG2 0.04 0.08 0.04 -0.04 2.34 2.46 3n2cL1 GLU 345 HG3 0.05 -0.04 -0.01 -0.04 2.34 2.31 3n2cL1 ALA 346 H 0.09 0.36 -0.12 -0.55 8.40 8.18 3n2cL1 ALA 346 HA 0.09 0.09 0.35 -0.75 4.34 4.11 3n2cL1 ALA 346 HB3 0.15 0.01 -0.05 -0.04 1.41 1.48 3n2cL1 LEU 347 H 0.14 0.16 -0.65 -0.55 8.37 7.47 3n2cL1 LEU 347 HA 0.40 0.09 0.56 -0.75 4.35 4.64 3n2cL1 LEU 347 HB2 0.11 0.15 -0.03 -0.04 1.64 1.83 3n2cL1 LEU 347 HB3 0.14 -0.01 -0.06 -0.04 1.64 1.67 3n2cL1 LEU 347 HG 0.10 0.02 -0.05 -0.04 1.64 1.68 3n2cL1 LEU 347 HD13 0.04 -0.01 -0.08 -0.04 0.93 0.84 3n2cL1 LEU 347 HD23 0.03 -0.01 -0.04 -0.04 0.89 0.83 3n2cL1 ARG 348 H 0.10 0.30 -0.36 -0.55 8.46 7.95 3n2cL1 ARG 348 HA 0.08 -0.06 0.55 -0.75 4.34 4.17 3n2cL1 ARG 348 HB2 0.07 0.20 0.24 -0.04 1.90 2.37 3n2cL1 ARG 348 HB3 0.07 -0.08 0.08 -0.04 1.80 1.82 3n2cL1 ARG 348 HG2 0.05 -0.15 0.06 -0.04 1.67 1.60 3n2cL1 ARG 348 HG3 0.06 0.27 0.10 -0.04 1.67 2.06 3n2cL1 ARG 348 HD2 0.05 0.01 0.02 -0.04 3.22 3.25 3n2cL1 ARG 348 HD3 0.05 -0.06 0.01 -0.04 3.22 3.17 3n2cL1 SER 349 H 0.09 0.33 -0.38 -0.55 8.46 7.95 3n2cL1 SER 349 HA 0.08 0.23 0.49 -0.75 4.49 4.53 3n2cL1 SER 349 HB2 0.07 0.12 -0.01 -0.04 3.95 4.09 3n2cL1 SER 349 HB3 0.10 -0.10 -0.28 -0.04 3.93 3.61 3n2cL1 ALA 350 H 0.08 0.31 -0.42 -0.55 8.40 7.83 3n2cL1 ALA 350 HA 0.11 0.27 0.99 -0.75 4.34 4.95 3n2cL1 ALA 350 HB3 -0.17 -0.05 0.13 -0.04 1.41 1.28 3n2cL1 THR 351 H 0.10 0.24 -0.31 -0.55 8.28 7.76 3n2cL1 THR 351 HA 0.09 0.23 0.92 -0.75 4.39 4.88 3n2cL1 THR 351 HB 0.06 0.26 0.22 -0.04 4.32 4.82 3n2cL1 THR 351 HG23 0.11 -0.01 -0.12 -0.04 1.22 1.16 3n2cL1 THR 352 H 0.06 0.15 0.29 -0.55 8.28 8.23 3n2cL1 THR 352 HA 0.03 0.12 0.40 -0.75 4.39 4.19 3n2cL1 THR 352 HB 0.04 0.03 0.02 -0.04 4.32 4.37 3n2cL1 THR 352 HG23 0.03 0.02 0.08 -0.04 1.22 1.31 3n2cL1 VAL 353 H 0.06 0.44 0.09 -0.55 8.24 8.29 3n2cL1 VAL 353 HA 0.09 0.11 0.51 -0.75 4.13 4.08 3n2cL1 VAL 353 HB 0.07 0.09 0.03 -0.04 2.12 2.27 3n2cL1 VAL 353 HG13 0.15 0.01 -0.25 -0.04 0.97 0.84 3n2cL1 VAL 353 HG23 0.08 -0.00 -0.03 -0.04 0.95 0.95 3n2cL1 ALA 354 H 0.05 0.12 -0.31 -0.55 8.40 7.71 3n2cL1 ALA 354 HA -0.04 0.05 0.38 -0.75 4.34 3.98 3n2cL1 ALA 354 HB3 0.07 0.09 -0.03 -0.04 1.41 1.51 3n2cL1 ALA 355 H 0.01 0.42 -0.35 -0.55 8.40 7.92 3n2cL1 ALA 355 HA -0.04 0.05 0.27 -0.75 4.34 3.87 3n2cL1 ALA 355 HB3 0.01 0.05 -0.20 -0.04 1.41 1.23 3n2cL1 GLU 356 H -0.05 0.31 -0.39 -0.55 8.60 7.92 3n2cL1 GLU 356 HA -0.07 -0.01 0.51 -0.75 4.29 3.96 3n2cL1 GLU 356 HB2 0.03 0.06 0.13 -0.04 2.09 2.27 3n2cL1 GLU 356 HB3 -0.04 0.14 0.05 -0.04 1.99 2.11 3n2cL1 GLU 356 HG2 0.10 0.05 -0.03 -0.04 2.34 2.42 3n2cL1 GLU 356 HG3 0.06 -0.06 0.05 -0.04 2.34 2.35 3n2cL1 ILE 357 H -0.30 0.27 -0.30 -0.55 8.25 7.36 3n2cL1 ILE 357 HA -0.86 0.08 0.41 -0.75 4.18 3.06 3n2cL1 ILE 357 HB -0.24 0.11 0.13 -0.04 1.89 1.85 3n2cL1 ILE 357 HG12 -0.99 -0.02 -0.07 -0.04 1.49 0.38 3n2cL1 ILE 357 HG13 -0.67 0.16 -0.01 -0.04 1.21 0.65 3n2cL1 ILE 357 HG23 -0.22 -0.01 -0.19 -0.04 0.93 0.46 3n2cL1 ILE 357 HD13 -0.10 -0.04 -0.13 -0.04 0.88 0.57 3n2cL1 VAL 358 H -0.20 0.42 -0.16 -0.55 8.24 7.74 3n2cL1 VAL 358 HA -0.17 0.11 0.34 -0.75 4.13 3.66 3n2cL1 VAL 358 HB -0.97 0.02 0.03 -0.04 2.12 1.17 3n2cL1 VAL 358 HG13 -0.16 0.01 -0.11 -0.04 0.97 0.67 3n2cL1 VAL 358 HG23 -0.20 -0.01 -0.13 -0.04 0.95 0.57 3n2cL1 ASN 359 H -0.20 0.16 -1.09 -0.55 8.53 6.86 3n2cL1 ASN 359 HA -0.09 0.00 0.28 -0.75 4.76 4.20 3n2cL1 ASN 359 HB2 -0.02 0.15 -0.05 -0.04 2.88 2.92 3n2cL1 ASN 359 HB3 -0.02 -0.06 0.23 -0.04 2.79 2.90 3n2cL1 ASN 359 HD21 -0.10 -0.05 -0.04 -0.04 7.03 6.79 3n2cL1 ASN 359 HD22 0.10 0.02 -0.12 -0.04 7.74 7.69 3n2cL1 MET 360 H -0.09 0.61 -0.17 -0.55 8.47 8.27 3n2cL1 MET 360 HA -0.01 0.22 0.65 -0.75 4.52 4.63 3n2cL1 MET 360 HB2 -0.03 -0.05 -0.01 -0.04 2.15 2.02 3n2cL1 MET 360 HB3 0.03 -0.14 0.10 -0.04 2.03 1.98 3n2cL1 MET 360 HG2 -0.09 0.22 -0.46 -0.04 2.63 2.27 3n2cL1 MET 360 HG3 0.08 -0.06 -0.10 -0.04 2.56 2.45 3n2cL1 MET 360 HE3 0.12 -0.03 -0.02 -0.04 2.10 2.13 3n2cL1 GLN 361 H -0.02 0.18 -0.21 -0.55 8.47 7.87 3n2cL1 GLN 361 HA 0.00 0.06 0.55 -0.75 4.36 4.21 3n2cL1 GLN 361 HB2 0.01 -0.01 -0.00 -0.04 2.15 2.10 3n2cL1 GLN 361 HB3 -0.01 -0.01 -0.15 -0.04 2.02 1.81 3n2cL1 GLN 361 HG2 0.01 0.01 -0.13 -0.04 2.40 2.24 3n2cL1 GLN 361 HG3 0.01 0.01 -0.03 -0.04 2.39 2.34 3n2cL1 GLN 361 HE21 -0.01 0.14 -0.08 -0.04 6.97 6.98 3n2cL1 GLN 361 HE22 0.00 -0.03 -0.04 -0.04 7.69 7.58 3n2cL1 GLY 362 H 0.01 0.17 0.13 -0.55 8.43 8.20 3n2cL1 GLY 362 HA2 0.01 -0.04 0.25 -0.51 4.01 3.73 3n2cL1 GLY 362 HA3 0.01 0.11 0.47 -0.51 4.01 4.09 3n2cL1 GLN 363 H 0.01 0.10 -0.30 -0.55 8.47 7.74 3n2cL1 GLN 363 HA 0.02 0.09 0.82 -0.75 4.36 4.54 3n2cL1 GLN 363 HB2 0.02 0.08 -0.33 -0.04 2.15 1.87 3n2cL1 GLN 363 HB3 0.03 0.07 -0.05 -0.04 2.02 2.03 3n2cL1 GLN 363 HG2 0.04 0.03 -0.01 -0.04 2.40 2.42 3n2cL1 GLN 363 HG3 0.03 -0.14 0.11 -0.04 2.39 2.35 3n2cL1 GLN 363 HE21 0.02 -0.03 -0.07 -0.04 6.97 6.84 3n2cL1 GLN 363 HE22 0.02 0.00 -0.34 -0.04 7.69 7.34 3n2cL1 LEU 364 H 0.02 0.62 0.35 -0.55 8.37 8.82 3n2cL1 LEU 364 HA 0.03 0.20 0.81 -0.75 4.35 4.64 3n2cL1 LEU 364 HB2 0.05 0.07 0.08 -0.04 1.64 1.80 3n2cL1 LEU 364 HB3 0.06 -0.03 0.13 -0.04 1.64 1.76 3n2cL1 LEU 364 HG 0.08 -0.01 -0.21 -0.04 1.64 1.46 3n2cL1 LEU 364 HD13 0.18 0.01 -0.05 -0.04 0.93 1.02 3n2cL1 LEU 364 HD23 0.06 0.04 0.10 -0.04 0.89 1.04 3n2cL1 GLY 365 H 0.03 0.24 0.14 -0.55 8.43 8.29 3n2cL1 GLY 365 HA2 0.03 0.10 0.29 -0.51 4.01 3.93 3n2cL1 GLY 365 HA3 0.04 0.18 0.13 -0.51 4.01 3.85 3n2cL1 VAL 366 H 0.01 0.24 -0.49 -0.55 8.24 7.46 3n2cL1 VAL 366 HA 0.00 0.05 0.62 -0.75 4.13 4.04 3n2cL1 VAL 366 HB 0.01 0.06 -0.23 -0.04 2.12 1.92 3n2cL1 VAL 366 HG13 0.01 0.03 -0.21 -0.04 0.97 0.76 3n2cL1 VAL 366 HG23 0.00 -0.01 -0.07 -0.04 0.95 0.83 3n2cL1 ILE 367 H -0.01 0.16 0.04 -0.55 8.25 7.88 3n2cL1 ILE 367 HA -0.01 0.19 0.73 -0.75 4.18 4.33 3n2cL1 ILE 367 HB -0.02 -0.02 0.05 -0.04 1.89 1.86 3n2cL1 ILE 367 HG12 -0.03 0.07 -0.26 -0.04 1.49 1.22 3n2cL1 ILE 367 HG13 -0.03 -0.08 -0.16 -0.04 1.21 0.91 3n2cL1 ILE 367 HG23 -0.01 0.00 -0.21 -0.04 0.93 0.67 3n2cL1 ILE 367 HD13 -0.04 -0.03 -0.25 -0.04 0.88 0.52 3n2cL1 ALA 368 H 0.00 0.37 0.06 -0.55 8.40 8.28 3n2cL1 ALA 368 HA 0.00 0.08 0.56 -0.75 4.34 4.23 3n2cL1 ALA 368 HB3 0.01 0.02 -0.15 -0.04 1.41 1.24 3n2cL1 VAL 369 H 0.01 0.10 0.10 -0.55 8.24 7.90 3n2cL1 VAL 369 HA 0.01 0.31 0.60 -0.75 4.13 4.30 3n2cL1 VAL 369 HB 0.01 -0.04 0.16 -0.04 2.12 2.21 3n2cL1 VAL 369 HG13 0.01 0.04 0.06 -0.04 0.97 1.04 3n2cL1 VAL 369 HG23 0.01 0.01 0.06 -0.04 0.95 0.99 3n2cL1 GLY 370 H 0.01 0.45 0.26 -0.55 8.43 8.60 3n2cL1 GLY 370 HA2 0.01 -0.04 0.38 -0.51 4.01 3.85 3n2cL1 GLY 370 HA3 0.01 0.14 0.70 -0.51 4.01 4.35 3n2cL1 ALA 371 H 0.01 0.10 -0.59 -0.55 8.40 7.38 3n2cL1 ALA 371 HA 0.01 0.14 0.57 -0.75 4.34 4.30 3n2cL1 ALA 371 HB3 0.01 -0.01 -0.10 -0.04 1.41 1.26 3n2cL1 ILE 372 H 0.02 0.51 0.39 -0.55 8.25 8.61 3n2cL1 ILE 372 HA 0.01 0.04 0.63 -0.75 4.18 4.11 3n2cL1 ILE 372 HB 0.03 0.09 0.23 -0.04 1.89 2.20 3n2cL1 ILE 372 HG12 0.02 -0.01 0.08 -0.04 1.49 1.54 3n2cL1 ILE 372 HG13 0.03 0.02 0.17 -0.04 1.21 1.39 3n2cL1 ILE 372 HG23 0.02 -0.00 -0.04 -0.04 0.93 0.87 3n2cL1 ILE 372 HD13 0.04 -0.01 0.03 -0.04 0.88 0.91 3n2cL1 ALA 373 H 0.00 0.63 0.38 -0.55 8.40 8.86 3n2cL1 ALA 373 HA -0.01 0.05 0.38 -0.75 4.34 4.01 3n2cL1 ALA 373 HB3 -0.01 -0.01 -0.19 -0.04 1.41 1.16 3n2cL1 ASP 374 H -0.01 0.48 0.26 -0.55 8.40 8.58 3n2cL1 ASP 374 HA -0.02 0.30 0.99 -0.75 4.63 5.15 3n2cL1 ASP 374 HB2 0.01 0.06 0.22 -0.04 2.71 2.96 3n2cL1 ASP 374 HB3 -0.01 -0.06 0.18 -0.04 2.70 2.77 3n2cL1 LEU 375 H -0.04 0.61 0.20 -0.55 8.37 8.59 3n2cL1 LEU 375 HA -0.10 0.23 1.11 -0.75 4.35 4.84 3n2cL1 LEU 375 HB2 -0.04 -0.02 -0.07 -0.04 1.64 1.46 3n2cL1 LEU 375 HB3 -0.06 0.00 -0.07 -0.04 1.64 1.47 3n2cL1 LEU 375 HG -0.04 -0.11 -0.51 -0.04 1.64 0.94 3n2cL1 LEU 375 HD13 -0.03 0.00 -0.21 -0.04 0.93 0.65 3n2cL1 LEU 375 HD23 -0.04 0.01 -0.21 -0.04 0.89 0.61 3n2cL1 VAL 376 H -0.16 0.59 0.16 -0.55 8.24 8.27 3n2cL1 VAL 376 HA -0.11 0.24 0.95 -0.75 4.13 4.45 3n2cL1 VAL 376 HB -0.48 0.01 -0.04 -0.04 2.12 1.56 3n2cL1 VAL 376 HG13 -0.27 -0.00 -0.20 -0.04 0.97 0.45 3n2cL1 VAL 376 HG23 -0.31 0.01 -0.02 -0.04 0.95 0.59 3n2cL1 VAL 377 H -0.01 0.70 0.28 -0.55 8.24 8.66 3n2cL1 VAL 377 HA -0.03 0.14 0.82 -0.75 4.13 4.31 3n2cL1 VAL 377 HB 0.16 -0.05 0.22 -0.04 2.12 2.41 3n2cL1 VAL 377 HG13 0.10 -0.00 -0.21 -0.04 0.97 0.81 3n2cL1 VAL 377 HG23 -0.03 -0.01 -0.10 -0.04 0.95 0.77 3n2cL1 LEU 378 H -0.03 0.65 0.24 -0.55 8.37 8.68 3n2cL1 LEU 378 HA -0.03 0.22 1.02 -0.75 4.35 4.81 3n2cL1 LEU 378 HB2 -0.07 0.00 -0.16 -0.04 1.64 1.36 3n2cL1 LEU 378 HB3 -0.04 -0.05 0.05 -0.04 1.64 1.56 3n2cL1 LEU 378 HG -0.03 0.13 -0.11 -0.04 1.64 1.59 3n2cL1 LEU 378 HD13 -0.04 0.01 -0.15 -0.04 0.93 0.72 3n2cL1 LEU 378 HD23 -0.04 -0.04 -0.27 -0.04 0.89 0.51 3n2cL1 ASP 379 H -0.02 0.70 0.24 -0.55 8.40 8.77 3n2cL1 ASP 379 HA -0.01 0.07 0.87 -0.75 4.63 4.80 3n2cL1 ASP 379 HB2 -0.01 0.01 0.04 -0.04 2.71 2.71 3n2cL1 ASP 379 HB3 -0.01 -0.01 0.23 -0.04 2.70 2.87 3n2cL1 GLY 380 H -0.02 0.22 0.24 -0.55 8.43 8.32 3n2cL1 GLY 380 HA2 -0.01 0.01 0.32 -0.51 4.01 3.83 3n2cL1 GLY 380 HA3 -0.01 0.17 0.79 -0.51 4.01 4.45 3n2cL1 ASN 381 H -0.01 0.17 0.11 -0.55 8.53 8.25 3n2cL1 ASN 381 HA -0.02 0.31 1.00 -0.75 4.76 5.30 3n2cL1 ASN 381 HB2 -0.01 0.07 -0.07 -0.04 2.88 2.82 3n2cL1 ASN 381 HB3 -0.01 -0.05 0.16 -0.04 2.79 2.84 3n2cL1 ASN 381 HD21 -0.00 0.08 -0.10 -0.04 7.03 6.96 3n2cL1 ASN 381 HD22 -0.00 0.03 -0.08 -0.04 7.74 7.64 3n2cL1 PRO 382 HA -0.02 0.34 0.50 -0.51 4.44 4.75 3n2cL1 PRO 382 HB2 -0.02 0.07 -0.06 -0.04 2.28 2.22 3n2cL1 PRO 382 HB3 -0.06 0.01 -0.00 -0.04 2.02 1.93 3n2cL1 PRO 382 HG2 -0.01 0.04 0.00 -0.04 2.03 2.02 3n2cL1 PRO 382 HG3 -0.02 0.12 -0.03 -0.04 2.03 2.06 3n2cL1 PRO 382 HD2 -0.02 0.11 0.23 -0.04 3.68 3.96 3n2cL1 PRO 382 HD3 -0.03 0.24 -0.08 -0.04 3.65 3.74 3n2cL1 LEU 383 H -0.00 0.10 -0.20 -0.55 8.37 7.72 3n2cL1 LEU 383 HA 0.02 0.14 0.43 -0.75 4.35 4.18 3n2cL1 LEU 383 HB2 -0.00 -0.08 0.00 -0.04 1.64 1.52 3n2cL1 LEU 383 HB3 0.00 0.03 -0.08 -0.04 1.64 1.56 3n2cL1 LEU 383 HG 0.01 0.06 -0.00 -0.04 1.64 1.66 3n2cL1 LEU 383 HD13 0.02 0.02 -0.10 -0.04 0.93 0.82 3n2cL1 LEU 383 HD23 -0.00 0.00 -0.19 -0.04 0.89 0.66 3n2cL1 GLU 384 H 0.00 0.15 -0.58 -0.55 8.60 7.63 3n2cL1 GLU 384 HA 0.01 0.20 0.87 -0.75 4.29 4.62 3n2cL1 GLU 384 HB2 0.00 0.01 0.16 -0.04 2.09 2.22 3n2cL1 GLU 384 HB3 0.00 -0.01 -0.00 -0.04 1.99 1.94 3n2cL1 GLU 384 HG2 0.00 -0.05 -0.16 -0.04 2.34 2.10 3n2cL1 GLU 384 HG3 0.00 -0.01 -0.01 -0.04 2.34 2.28 3n2cL1 ASP 385 H 0.00 0.50 0.22 -0.55 8.40 8.58 3n2cL1 ASP 385 HA 0.01 0.18 0.94 -0.75 4.63 5.01 3n2cL1 ASP 385 HB2 0.01 0.07 -0.01 -0.04 2.71 2.74 3n2cL1 ASP 385 HB3 0.00 0.02 0.09 -0.04 2.70 2.77 3n2cL1 ILE 386 H 0.02 0.21 0.12 -0.55 8.25 8.05 3n2cL1 ILE 386 HA -0.00 0.22 0.54 -0.75 4.18 4.19 3n2cL1 ILE 386 HB 0.05 0.10 0.04 -0.04 1.89 2.04 3n2cL1 ILE 386 HG12 0.12 0.07 -0.21 -0.04 1.49 1.43 3n2cL1 ILE 386 HG13 0.08 -0.14 -0.17 -0.04 1.21 0.93 3n2cL1 ILE 386 HG23 0.05 0.02 0.03 -0.04 0.93 0.99 3n2cL1 ILE 386 HD13 0.12 0.00 -0.05 -0.04 0.88 0.91 3n2cL1 GLY 387 H 0.02 0.15 -0.11 -0.55 8.43 7.94 3n2cL1 GLY 387 HA2 0.03 -0.00 0.28 -0.51 4.01 3.81 3n2cL1 GLY 387 HA3 0.02 0.12 0.25 -0.51 4.01 3.89 3n2cL1 VAL 388 H -0.02 0.25 -0.75 -0.55 8.24 7.17 3n2cL1 VAL 388 HA -0.01 0.17 0.64 -0.75 4.13 4.18 3n2cL1 VAL 388 HB -0.02 0.15 -0.04 -0.04 2.12 2.16 3n2cL1 VAL 388 HG13 -0.01 -0.05 -0.10 -0.04 0.97 0.78 3n2cL1 VAL 388 HG23 -0.03 0.04 -0.40 -0.04 0.95 0.52 3n2cL1 VAL 389 H -0.08 0.28 -0.07 -0.55 8.24 7.83 3n2cL1 VAL 389 HA -0.09 0.22 0.73 -0.75 4.13 4.24 3n2cL1 VAL 389 HB -0.39 0.05 0.12 -0.04 2.12 1.86 3n2cL1 VAL 389 HG13 -1.05 0.01 -0.10 -0.04 0.97 -0.21 3n2cL1 VAL 389 HG23 -0.14 0.01 -0.13 -0.04 0.95 0.64 3n2cL1 ALA 390 H -0.05 0.37 0.17 -0.55 8.40 8.35 3n2cL1 ALA 390 HA 0.10 0.22 0.10 -0.75 4.34 4.01 3n2cL1 ALA 390 HB3 0.10 -0.03 -0.06 -0.04 1.41 1.38 3n2cL1 ASP 391 H 0.02 0.16 -0.66 -0.55 8.40 7.37 3n2cL1 ASP 391 HA 0.07 0.14 0.50 -0.75 4.63 4.60 3n2cL1 ASP 391 HB2 0.03 0.07 0.05 -0.04 2.71 2.82 3n2cL1 ASP 391 HB3 0.02 -0.04 0.10 -0.04 2.70 2.75 3n2cL1 GLU 392 H 0.09 0.25 -0.33 -0.55 8.60 8.07 3n2cL1 GLU 392 HA 0.10 -0.03 0.30 -0.75 4.29 3.90 3n2cL1 GLU 392 HB2 0.04 -0.07 -0.03 -0.04 2.09 1.99 3n2cL1 GLU 392 HB3 0.02 0.09 0.06 -0.04 1.99 2.12 3n2cL1 GLU 392 HG2 0.03 0.06 0.07 -0.04 2.34 2.46 3n2cL1 GLU 392 HG3 0.05 0.02 0.15 -0.04 2.34 2.51 3n2cL1 GLY 393 H 0.05 0.15 -0.23 -0.55 8.43 7.85 3n2cL1 GLY 393 HA2 0.02 -0.02 0.20 -0.51 4.01 3.70 3n2cL1 GLY 393 HA3 0.04 0.25 0.41 -0.51 4.01 4.19 3n2cL1 ALA 394 H 0.01 0.05 -0.33 -0.55 8.40 7.58 3n2cL1 ALA 394 HA 0.00 0.14 0.52 -0.75 4.34 4.25 3n2cL1 ALA 394 HB3 0.01 0.02 0.06 -0.04 1.41 1.46 3n2cL1 ARG 395 H -0.01 0.07 -0.22 -0.55 8.46 7.75 3n2cL1 ARG 395 HA -0.02 0.24 0.85 -0.75 4.34 4.66 3n2cL1 ARG 395 HB2 -0.01 0.06 0.15 -0.04 1.90 2.06 3n2cL1 ARG 395 HB3 -0.02 0.01 0.31 -0.04 1.80 2.06 3n2cL1 ARG 395 HG2 -0.01 0.02 0.07 -0.04 1.67 1.71 3n2cL1 ARG 395 HG3 -0.01 -0.01 -0.27 -0.04 1.67 1.34 3n2cL1 ARG 395 HD2 -0.01 -0.11 0.05 -0.04 3.22 3.11 3n2cL1 ARG 395 HD3 -0.01 0.08 0.09 -0.04 3.22 3.34 3n2cL1 VAL 396 H -0.02 0.35 -0.40 -0.55 8.24 7.61 3n2cL1 VAL 396 HA -0.04 0.17 0.93 -0.75 4.13 4.45 3n2cL1 VAL 396 HB -0.02 -0.08 -0.09 -0.04 2.12 1.89 3n2cL1 VAL 396 HG13 -0.01 0.07 -0.05 -0.04 0.97 0.94 3n2cL1 VAL 396 HG23 -0.05 -0.01 -0.16 -0.04 0.95 0.69 3n2cL1 GLU 397 H -0.04 0.35 0.19 -0.55 8.60 8.55 3n2cL1 GLU 397 HA -0.19 0.10 0.98 -0.75 4.29 4.42 3n2cL1 GLU 397 HB2 -0.48 0.01 -0.04 -0.04 2.09 1.54 3n2cL1 GLU 397 HB3 -0.13 0.07 -0.06 -0.04 1.99 1.83 3n2cL1 GLU 397 HG2 0.07 -0.00 0.06 -0.04 2.34 2.42 3n2cL1 GLU 397 HG3 0.17 -0.01 -0.11 -0.04 2.34 2.36 3n2cL1 TYR 398 H 0.05 0.20 0.22 -0.55 8.29 8.22 3n2cL1 TYR 398 HA -0.03 0.49 1.03 -0.75 4.56 5.30 3n2cL1 TYR 398 HB2 -0.04 -0.11 0.11 -0.04 3.06 2.98 3n2cL1 TYR 398 HB3 -0.03 0.02 -0.03 -0.04 2.98 2.89 3n2cL1 TYR 398 HD2 -0.02 0.01 -0.03 -0.04 7.15 7.06 3n2cL1 TYR 398 HE2 -0.01 0.01 -0.05 -0.04 6.85 6.76 3n2cL1 VAL 399 H 0.04 0.24 0.22 -0.55 8.24 8.19 3n2cL1 VAL 399 HA -0.03 0.25 1.02 -0.75 4.13 4.62 3n2cL1 VAL 399 HB -0.01 -0.08 0.12 -0.04 2.12 2.11 3n2cL1 VAL 399 HG13 -0.03 0.05 -0.17 -0.04 0.97 0.78 3n2cL1 VAL 399 HG23 -0.04 0.03 -0.16 -0.04 0.95 0.74 3n2cL1 LEU 400 H -0.02 0.68 0.24 -0.55 8.37 8.72 3n2cL1 LEU 400 HA 0.00 0.14 1.03 -0.75 4.35 4.76 3n2cL1 LEU 400 HB2 -0.02 -0.14 -0.02 -0.04 1.64 1.42 3n2cL1 LEU 400 HB3 -0.01 0.23 -0.33 -0.04 1.64 1.48 3n2cL1 LEU 400 HG 0.02 -0.08 -0.27 -0.04 1.64 1.27 3n2cL1 LEU 400 HD13 -0.02 -0.02 -0.22 -0.04 0.93 0.64 3n2cL1 LEU 400 HD23 -0.03 0.02 -0.15 -0.04 0.89 0.69 3n2cL1 GLN 401 H -0.01 0.68 0.16 -0.55 8.47 8.76 3n2cL1 GLN 401 HA -0.01 0.04 0.99 -0.75 4.36 4.62 3n2cL1 GLN 401 HB2 -0.01 -0.05 -0.06 -0.04 2.15 1.98 3n2cL1 GLN 401 HB3 -0.01 0.07 0.06 -0.04 2.02 2.10 3n2cL1 GLN 401 HG2 -0.01 -0.01 0.02 -0.04 2.40 2.37 3n2cL1 GLN 401 HG3 -0.00 -0.07 0.09 -0.04 2.39 2.37 3n2cL1 GLN 401 HE21 -0.04 0.06 0.03 -0.04 6.97 6.98 3n2cL1 GLN 401 HE22 -0.03 -0.04 0.10 -0.04 7.69 7.67 3n2cL1 ARG 402 H -0.01 0.10 0.09 -0.55 8.46 8.10 3n2cL1 ARG 402 HA -0.00 0.04 0.37 -0.75 4.34 4.00 3n2cL1 ARG 402 HB2 -0.01 0.08 -0.01 -0.04 1.90 1.92 3n2cL1 ARG 402 HB3 -0.01 -0.03 0.29 -0.04 1.80 2.00 3n2cL1 ARG 402 HG2 0.00 -0.00 0.10 -0.04 1.67 1.72 3n2cL1 ARG 402 HG3 -0.01 -0.01 0.02 -0.04 1.67 1.63 3n2cL1 ARG 402 HD2 0.00 -0.03 0.07 -0.04 3.22 3.22 3n2cL1 ARG 402 HD3 -0.01 0.01 0.04 -0.04 3.22 3.22 3n2cL1 GLY 403 H -0.01 0.41 -0.15 -0.55 8.43 8.14 3n2cL1 GLY 403 HA2 -0.01 -0.14 0.19 -0.51 4.01 3.55 3n2cL1 GLY 403 HA3 -0.01 0.37 0.62 -0.51 4.01 4.48 3n2cL1 THR 404 H -0.01 0.50 -0.18 -0.55 8.28 8.04 3n2cL1 THR 404 HA -0.01 -0.04 0.33 -0.75 4.39 3.92 3n2cL1 THR 404 HB -0.01 -0.02 0.10 -0.04 4.32 4.35 3n2cL1 THR 404 HG23 -0.01 0.03 0.06 -0.04 1.22 1.26 3n2cL1 LEU 405 H 0.00 0.08 0.16 -0.55 8.37 8.06 3n2cL1 LEU 405 HA 0.02 0.01 0.58 -0.75 4.35 4.20 3n2cL1 LEU 405 HB2 0.02 -0.01 0.05 -0.04 1.64 1.65 3n2cL1 LEU 405 HB3 0.02 -0.01 0.11 -0.04 1.64 1.72 3n2cL1 LEU 405 HG 0.08 0.03 -0.34 -0.04 1.64 1.37 3n2cL1 LEU 405 HD13 0.19 0.05 -0.00 -0.04 0.93 1.12 3n2cL1 LEU 405 HD23 0.13 -0.00 -0.07 -0.04 0.89 0.90 3n2cL1 VAL 406 H 0.03 0.51 0.44 -0.55 8.24 8.67 3n2cL1 VAL 406 HA 0.01 0.21 1.01 -0.75 4.13 4.61 3n2cL1 VAL 406 HB 0.00 0.02 0.04 -0.04 2.12 2.13 3n2cL1 VAL 406 HG13 -0.01 -0.01 0.01 -0.04 0.97 0.92 3n2cL1 VAL 406 HG23 -0.00 0.01 -0.05 -0.04 0.95 0.87 3n2cL1 LYS 407 H 0.03 0.12 0.30 -0.55 8.42 8.31 3n2cL1 LYS 407 HA -0.02 0.23 1.01 -0.75 4.32 4.78 3n2cL1 LYS 407 HB2 -0.02 -0.20 0.08 -0.04 1.87 1.70 3n2cL1 LYS 407 HB3 -0.04 0.07 -0.11 -0.04 1.79 1.67 3n2cL1 LYS 407 HG2 -0.00 -0.06 -0.37 -0.04 1.46 0.98 3n2cL1 LYS 407 HG3 -0.00 0.13 -0.21 -0.04 1.46 1.34 3n2cL1 LYS 407 HD2 -0.02 -0.00 -0.10 -0.04 1.69 1.53 3n2cL1 LYS 407 HD3 -0.01 0.08 -0.09 -0.04 1.68 1.62 3n2cL1 LYS 407 HE2 -0.00 -0.00 -0.17 -0.04 2.99 2.77 3n2cL1 LYS 407 HE3 0.01 -0.08 -0.51 -0.04 2.99 2.37 3n2cL1 ARG 408 H -0.06 0.20 0.09 -0.55 8.46 8.13 3n2cL1 ARG 408 HA -0.33 0.23 0.88 -0.75 4.34 4.36 3n2cL1 ARG 408 HB2 -0.03 -0.00 -0.10 -0.04 1.90 1.72 3n2cL1 ARG 408 HB3 -0.05 -0.03 0.16 -0.04 1.80 1.84 3n2cL1 ARG 408 HG2 -0.11 0.02 -0.14 -0.04 1.67 1.39 3n2cL1 ARG 408 HG3 -0.14 0.01 0.01 -0.04 1.67 1.50 3n2cL1 ARG 408 HD2 -0.02 -0.02 -0.00 -0.04 3.22 3.14 3n2cL1 ARG 408 HD3 -0.00 -0.03 -0.02 -0.04 3.22 3.12 3n2cL1 GLN 409 H -0.30 0.57 0.15 -0.55 8.47 8.34 3n2cL1 GLN 409 HA -0.10 0.17 0.77 -0.75 4.36 4.45 3n2cL1 GLN 409 HB2 -0.10 0.10 0.02 -0.04 2.15 2.12 3n2cL1 GLN 409 HB3 -0.07 0.07 0.13 -0.04 2.02 2.10 3n2cL1 GLN 409 HG2 -0.05 -0.01 -0.01 -0.04 2.40 2.29 3n2cL1 GLN 409 HG3 -0.07 -0.07 -0.48 -0.04 2.39 1.73 3n2cL1 GLN 409 HE21 -0.03 0.01 -0.12 -0.04 6.97 6.80 3n2cL1 GLN 409 HE22 -0.07 -0.06 -0.30 -0.04 7.69 7.22