============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 2 0.900 -42.558 15.275 -71.299 -99.200 -91.000 PHE 9 1.000 -50.201 12.387 -52.925 -99.200 -91.000 HIS 13 0.900 -47.303 8.973 -41.352 -99.200 -91.000 PHE 21 1.000 -48.666 27.715 -42.379 -99.200 -91.000 HIS 25 0.900 -50.728 29.905 -48.390 -99.200 -91.000 TRP 26 1.040 -48.151 26.756 -51.456 -99.200 -91.000 TRP6 26 1.020 -46.123 25.541 -51.436 -99.200 -91.000 PHE 43 1.000 -55.486 14.434 -52.893 -99.200 -91.000 TYR 56 0.840 -53.741 4.907 -37.184 -99.200 -91.000 PHE 65 1.000 -51.895 5.021 -51.000 -99.200 -91.000 TYR 79 0.840 -60.944 8.659 -43.973 -99.200 -91.000 HIS 89 0.900 -59.300 3.252 -58.166 -99.200 -91.000 PHE 91 1.000 -53.153 13.027 -56.894 -99.200 -91.000 TYR 100 0.840 -51.063 13.436 -60.963 -99.200 -91.000 PHE 104 1.000 -40.960 15.791 -55.748 -99.200 -91.000 HIS 107 0.900 -44.691 11.361 -44.398 -99.200 -91.000 PHE 125 1.000 -35.288 12.442 -62.941 -99.200 -91.000 PHE 129 1.000 -33.683 11.730 -53.343 -99.200 -91.000 HIS 130 0.900 -24.168 15.263 -56.201 -99.200 -91.000 TYR 131 0.840 -29.974 20.626 -58.895 -99.200 -91.000 TYR 142 0.840 -26.836 13.108 -42.350 -99.200 -91.000 TYR 144 0.840 -33.902 5.072 -43.627 -99.200 -91.000 HIS 148 0.900 -39.467 -2.903 -48.848 -99.200 -91.000 TYR 153 0.840 -39.611 -0.064 -51.599 -99.200 -91.000 TYR 162 0.840 -38.627 8.179 -62.335 -99.200 -91.000 HIS 188 0.900 -32.632 24.945 -54.366 -99.200 -91.000 PHE 192 1.000 -33.685 17.287 -60.002 -99.200 -91.000 HIS 194 0.900 -38.764 25.580 -64.876 -99.200 -91.000 HIS 195 0.900 -33.391 26.001 -65.262 -99.200 -91.000 PHE 196 1.000 -34.372 15.625 -66.541 -99.200 -91.000 PHE 202 1.000 -28.910 17.994 -64.004 -99.200 -91.000 TYR 210 0.840 -25.767 7.242 -43.281 -99.200 -91.000 TYR 218 0.840 -37.405 3.126 -26.322 -99.200 -91.000 HIS 231 0.900 -26.474 7.479 -21.866 -99.200 -91.000 TRP 239 1.040 -28.837 10.865 -39.945 -99.200 -91.000 TRP6 239 1.020 -29.761 9.291 -41.453 -99.200 -91.000 HIS 243 0.900 -17.851 4.499 -32.739 -99.200 -91.000 PHE 248 1.000 -31.720 0.459 -25.495 -99.200 -91.000 TYR 265 0.840 -22.009 4.437 -39.500 -99.200 -91.000 PHE 268 1.000 -37.141 7.106 -38.742 -99.200 -91.000 TYR 274 0.840 -40.107 5.153 -36.612 -99.200 -91.000 TYR 275 0.840 -41.343 6.107 -27.002 -99.200 -91.000 PHE 281 1.000 -31.252 2.241 -31.788 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2q51A12 GLU 9 HA 0.16 -0.04 0.12 -0.75 4.29 3.78 2q51A12 GLU 9 HB2 0.02 0.03 0.07 -0.04 2.09 2.17 2q51A12 GLU 9 HB3 0.03 -0.23 0.19 -0.04 1.99 1.95 2q51A12 GLU 9 HG2 -0.01 -0.01 0.04 -0.04 2.34 2.33 2q51A12 GLU 9 HG3 0.02 -0.01 0.05 -0.04 2.34 2.36 2q51A12 HIS 10 H 0.10 0.05 0.07 -0.55 8.41 8.09 2q51A12 HIS 10 HA -0.07 0.16 0.59 -0.75 4.63 4.56 2q51A12 HIS 10 HB2 -0.07 0.00 0.13 -0.04 3.26 3.29 2q51A12 HIS 10 HB3 -0.03 -0.05 0.22 -0.04 3.20 3.29 2q51A12 HIS 10 HD2 -0.06 -0.00 0.02 -0.04 6.97 6.88 2q51A12 HIS 10 HE1 -0.02 -0.06 -0.10 -0.04 7.75 7.52 2q51A12 ILE 11 H -0.04 0.37 0.18 -0.55 8.25 8.21 2q51A12 ILE 11 HA 0.13 0.07 0.84 -0.75 4.18 4.47 2q51A12 ILE 11 HB 0.13 0.05 0.09 -0.04 1.89 2.12 2q51A12 ILE 11 HG12 0.03 0.32 -0.22 -0.04 1.49 1.57 2q51A12 ILE 11 HG13 0.11 -0.03 -0.10 -0.04 1.21 1.15 2q51A12 ILE 11 HG23 0.18 -0.03 -0.28 -0.04 0.93 0.76 2q51A12 ILE 11 HD13 0.14 -0.00 -0.25 -0.04 0.88 0.73 2q51A12 GLN 12 H 0.12 0.13 0.14 -0.55 8.47 8.32 2q51A12 GLN 12 HA -0.00 0.12 0.63 -0.75 4.36 4.36 2q51A12 GLN 12 HB2 0.09 0.00 0.21 -0.04 2.15 2.42 2q51A12 GLN 12 HB3 0.03 0.01 0.05 -0.04 2.02 2.07 2q51A12 GLN 12 HG2 0.50 0.02 -0.08 -0.04 2.40 2.81 2q51A12 GLN 12 HG3 0.16 -0.01 0.02 -0.04 2.39 2.52 2q51A12 GLN 12 HE21 0.01 -0.05 -0.02 -0.04 6.97 6.87 2q51A12 GLN 12 HE22 0.04 0.04 -0.06 -0.04 7.69 7.68 2q51A12 LYS 13 H 0.02 0.07 0.17 -0.55 8.42 8.13 2q51A12 LYS 13 HA 0.03 0.16 0.59 -0.75 4.32 4.34 2q51A12 LYS 13 HB2 -0.10 -0.13 0.29 -0.04 1.87 1.88 2q51A12 LYS 13 HB3 -0.73 0.04 0.10 -0.04 1.79 1.17 2q51A12 LYS 13 HG2 -0.57 0.09 0.07 -0.04 1.46 1.01 2q51A12 LYS 13 HG3 -0.20 -0.05 0.06 -0.04 1.46 1.22 2q51A12 LYS 13 HD2 -0.10 -0.03 0.08 -0.04 1.69 1.60 2q51A12 LYS 13 HD3 -0.04 -0.19 0.19 -0.04 1.68 1.60 2q51A12 LYS 13 HE2 -0.08 -0.11 -0.14 -0.04 2.99 2.62 2q51A12 LYS 13 HE3 -0.19 0.15 0.05 -0.04 2.99 2.96 2q51A12 VAL 14 H 0.24 0.43 0.39 -0.55 8.24 8.76 2q51A12 VAL 14 HA 0.30 0.24 1.11 -0.75 4.13 5.01 2q51A12 VAL 14 HB 0.13 0.02 0.05 -0.04 2.12 2.28 2q51A12 VAL 14 HG13 0.10 -0.01 -0.16 -0.04 0.97 0.86 2q51A12 VAL 14 HG23 0.19 0.02 -0.31 -0.04 0.95 0.81 2q51A12 ALA 15 H 0.18 0.56 0.36 -0.55 8.40 8.96 2q51A12 ALA 15 HA 0.10 0.20 1.01 -0.75 4.34 4.89 2q51A12 ALA 15 HB3 -0.29 -0.00 -0.03 -0.04 1.41 1.05 2q51A12 ILE 16 H 0.07 0.36 -0.00 -0.55 8.25 8.13 2q51A12 ILE 16 HA 0.01 0.25 0.96 -0.75 4.18 4.65 2q51A12 ILE 16 HB 0.13 -0.05 0.09 -0.04 1.89 2.03 2q51A12 ILE 16 HG12 -0.15 0.06 0.03 -0.04 1.49 1.39 2q51A12 ILE 16 HG13 -0.13 -0.03 -0.51 -0.04 1.21 0.50 2q51A12 ILE 16 HG23 0.11 0.02 -0.09 -0.04 0.93 0.93 2q51A12 ILE 16 HD13 0.01 0.00 -0.10 -0.04 0.88 0.75 2q51A12 PHE 17 H -0.05 0.18 -0.07 -0.55 8.34 7.86 2q51A12 PHE 17 HA 0.01 0.36 0.88 -0.75 4.62 5.12 2q51A12 PHE 17 HB2 -0.07 -0.11 0.07 -0.04 3.15 3.00 2q51A12 PHE 17 HB3 -0.06 -0.10 -0.04 -0.04 3.06 2.82 2q51A12 PHE 17 HD2 -0.15 0.00 -0.19 -0.04 7.28 6.91 2q51A12 PHE 17 HE2 -1.08 0.08 -0.18 -0.04 7.38 6.17 2q51A12 PHE 17 HZ -1.14 0.09 -0.14 -0.04 7.32 6.08 2q51A12 GLY 18 H 0.08 0.37 0.39 -0.55 8.43 8.72 2q51A12 GLY 18 HA2 -0.02 0.14 0.86 -0.51 4.01 4.47 2q51A12 GLY 18 HA3 -0.01 0.15 0.18 -0.51 4.01 3.82 2q51A12 GLY 19 H -0.07 0.27 0.15 -0.55 8.43 8.23 2q51A12 GLY 19 HA2 -0.02 0.23 0.26 -0.51 4.01 3.97 2q51A12 GLY 19 HA3 -0.04 0.11 0.57 -0.51 4.01 4.15 2q51A12 THR 20 H -0.14 0.16 -0.10 -0.55 8.28 7.65 2q51A12 THR 20 HA -0.02 0.11 0.35 -0.75 4.39 4.08 2q51A12 THR 20 HB -0.20 0.04 0.04 -0.04 4.32 4.16 2q51A12 THR 20 HG23 -0.16 -0.02 -0.21 -0.04 1.22 0.78 2q51A12 HIS 21 H -0.00 0.14 -0.08 -0.55 8.41 7.93 2q51A12 HIS 21 HA 0.12 0.27 0.83 -0.75 4.63 5.10 2q51A12 HIS 21 HB2 0.17 0.01 0.16 -0.04 3.26 3.56 2q51A12 HIS 21 HB3 0.12 -0.10 0.04 -0.04 3.20 3.22 2q51A12 HIS 21 HD2 0.18 0.09 0.01 -0.04 6.97 7.21 2q51A12 HIS 21 HE1 0.04 0.07 -0.05 -0.04 7.75 7.77 2q51A12 GLY 22 H 0.15 0.63 -0.02 -0.55 8.43 8.64 2q51A12 GLY 22 HA2 0.05 0.15 0.17 -0.51 4.01 3.88 2q51A12 GLY 22 HA3 0.04 0.01 -0.19 -0.51 4.01 3.36 2q51A12 ASN 23 H 0.04 -0.00 -0.10 -0.55 8.53 7.92 2q51A12 ASN 23 HA 0.01 0.24 0.36 -0.75 4.76 4.61 2q51A12 ASN 23 HB2 0.00 -0.03 0.19 -0.04 2.88 3.00 2q51A12 ASN 23 HB3 -0.02 0.12 0.08 -0.04 2.79 2.93 2q51A12 ASN 23 HD21 -0.07 0.03 0.02 -0.04 7.03 6.98 2q51A12 ASN 23 HD22 0.04 0.09 -0.13 -0.04 7.74 7.69 2q51A12 GLU 24 H 0.08 0.35 -0.82 -0.55 8.60 7.66 2q51A12 GLU 24 HA 0.05 0.15 0.88 -0.75 4.29 4.62 2q51A12 GLU 24 HB2 0.11 0.07 0.18 -0.04 2.09 2.41 2q51A12 GLU 24 HB3 0.10 -0.01 -0.01 -0.04 1.99 2.03 2q51A12 GLU 24 HG2 0.14 0.06 -0.04 -0.04 2.34 2.46 2q51A12 GLU 24 HG3 0.12 -0.13 -0.34 -0.04 2.34 1.94 2q51A12 LEU 25 H 0.01 0.28 0.09 -0.55 8.37 8.22 2q51A12 LEU 25 HA 0.01 0.10 0.36 -0.75 4.35 4.07 2q51A12 LEU 25 HB2 -0.02 0.08 -0.01 -0.04 1.64 1.65 2q51A12 LEU 25 HB3 0.01 -0.04 0.03 -0.04 1.64 1.60 2q51A12 LEU 25 HG -0.00 -0.01 -0.05 -0.04 1.64 1.53 2q51A12 LEU 25 HD13 -0.03 0.03 -0.36 -0.04 0.93 0.53 2q51A12 LEU 25 HD23 0.00 0.01 -0.12 -0.04 0.89 0.74 2q51A12 THR 26 H 0.01 0.12 -0.11 -0.55 8.28 7.75 2q51A12 THR 26 HA 0.01 0.08 0.25 -0.75 4.39 3.97 2q51A12 THR 26 HB 0.02 -0.12 0.09 -0.04 4.32 4.27 2q51A12 THR 26 HG23 0.01 0.05 -0.09 -0.04 1.22 1.15 2q51A12 GLY 27 H -0.01 0.17 -0.04 -0.55 8.43 8.01 2q51A12 GLY 27 HA2 -0.10 0.14 0.31 -0.51 4.01 3.85 2q51A12 GLY 27 HA3 -0.04 0.04 0.34 -0.51 4.01 3.84 2q51A12 VAL 28 H -0.02 0.18 -0.83 -0.55 8.24 7.02 2q51A12 VAL 28 HA -0.05 -0.03 0.39 -0.75 4.13 3.69 2q51A12 VAL 28 HB 0.02 0.22 0.26 -0.04 2.12 2.58 2q51A12 VAL 28 HG13 -0.00 0.00 -0.11 -0.04 0.97 0.82 2q51A12 VAL 28 HG23 -0.01 -0.02 -0.04 -0.04 0.95 0.84 2q51A12 PHE 29 H 0.12 0.55 0.19 -0.55 8.34 8.64 2q51A12 PHE 29 HA -0.08 -0.01 0.33 -0.75 4.62 4.11 2q51A12 PHE 29 HB2 -0.07 -0.04 0.10 -0.04 3.15 3.09 2q51A12 PHE 29 HB3 -0.12 0.15 0.10 -0.04 3.06 3.16 2q51A12 PHE 29 HD2 -0.09 0.01 -0.07 -0.04 7.28 7.08 2q51A12 PHE 29 HE2 -0.07 0.00 -0.05 -0.04 7.38 7.22 2q51A12 PHE 29 HZ -0.07 -0.01 -0.04 -0.04 7.32 7.16 2q51A12 LEU 30 H -0.18 0.25 -0.70 -0.55 8.37 7.19 2q51A12 LEU 30 HA -0.92 0.04 0.46 -0.75 4.35 3.18 2q51A12 LEU 30 HB2 -0.45 0.14 0.07 -0.04 1.64 1.35 2q51A12 LEU 30 HB3 -1.30 0.00 -0.03 -0.04 1.64 0.27 2q51A12 LEU 30 HG -0.14 0.12 -0.23 -0.04 1.64 1.35 2q51A12 LEU 30 HD13 -0.16 0.01 -0.06 -0.04 0.93 0.68 2q51A12 LEU 30 HD23 -0.25 -0.00 -0.11 -0.04 0.89 0.49 2q51A12 VAL 31 H -0.24 0.71 0.20 -0.55 8.24 8.37 2q51A12 VAL 31 HA -0.05 0.09 0.59 -0.75 4.13 4.00 2q51A12 VAL 31 HB -0.05 -0.08 0.20 -0.04 2.12 2.14 2q51A12 VAL 31 HG13 0.05 0.02 -0.27 -0.04 0.97 0.73 2q51A12 VAL 31 HG23 0.02 0.04 -0.01 -0.04 0.95 0.97 2q51A12 LYS 32 H -0.11 0.81 0.11 -0.55 8.42 8.68 2q51A12 LYS 32 HA -0.05 -0.01 0.22 -0.75 4.32 3.74 2q51A12 LYS 32 HB2 -0.07 0.07 -0.11 -0.04 1.87 1.73 2q51A12 LYS 32 HB3 -0.04 -0.02 -0.04 -0.04 1.79 1.65 2q51A12 LYS 32 HG2 -0.05 -0.06 -0.02 -0.04 1.46 1.29 2q51A12 LYS 32 HG3 -0.02 -0.06 -0.14 -0.04 1.46 1.20 2q51A12 LYS 32 HD2 -0.02 0.02 -0.04 -0.04 1.69 1.61 2q51A12 LYS 32 HD3 -0.04 0.02 -0.02 -0.04 1.68 1.59 2q51A12 LYS 32 HE2 -0.04 -0.04 -0.06 -0.04 2.99 2.80 2q51A12 LYS 32 HE3 -0.02 -0.01 -0.06 -0.04 2.99 2.86 2q51A12 HIS 33 H -0.19 0.15 -1.08 -0.55 8.41 6.74 2q51A12 HIS 33 HA -0.13 0.01 0.46 -0.75 4.63 4.22 2q51A12 HIS 33 HB2 -0.56 0.39 0.18 -0.04 3.26 3.23 2q51A12 HIS 33 HB3 -0.64 0.17 0.15 -0.04 3.20 2.83 2q51A12 HIS 33 HD2 -0.27 0.02 0.02 -0.04 6.97 6.70 2q51A12 HIS 33 HE1 0.10 0.01 -0.02 -0.04 7.75 7.79 2q51A12 TRP 34 H -0.03 0.62 0.04 -0.55 7.97 8.06 2q51A12 TRP 34 HA 0.01 -0.15 0.46 -0.75 4.62 4.18 2q51A12 TRP 34 HB2 0.03 0.09 0.26 -0.04 3.23 3.57 2q51A12 TRP 34 HB3 0.03 -0.04 0.20 -0.04 3.23 3.39 2q51A12 TRP 34 HD1 0.25 -0.09 -0.20 -0.04 7.22 7.13 2q51A12 TRP 34 HE1 0.02 -0.01 -0.00 -0.04 10.20 10.17 2q51A12 TRP 34 HE3 0.02 0.01 -0.04 -0.04 7.59 7.54 2q51A12 TRP 34 HZ2 -0.03 -0.00 -0.03 -0.04 7.44 7.34 2q51A12 TRP 34 HZ3 -0.02 0.04 -0.08 -0.04 7.13 7.03 2q51A12 TRP 34 HH2 -0.02 0.06 -0.06 -0.04 7.19 7.13 2q51A12 LEU 35 H 0.05 0.37 -0.32 -0.55 8.37 7.93 2q51A12 LEU 35 HA 0.09 0.13 0.56 -0.75 4.35 4.37 2q51A12 LEU 35 HB2 0.01 0.16 -0.18 -0.04 1.64 1.60 2q51A12 LEU 35 HB3 0.04 -0.07 0.06 -0.04 1.64 1.62 2q51A12 LEU 35 HG 0.11 0.19 -0.81 -0.04 1.64 1.09 2q51A12 LEU 35 HD13 0.01 -0.09 -0.21 -0.04 0.93 0.60 2q51A12 LEU 35 HD23 0.13 -0.02 -0.01 -0.04 0.89 0.94 2q51A12 GLU 36 H -0.04 0.40 0.37 -0.55 8.60 8.77 2q51A12 GLU 36 HA -0.02 0.25 1.04 -0.75 4.29 4.81 2q51A12 GLU 36 HB2 -0.06 -0.02 0.12 -0.04 2.09 2.09 2q51A12 GLU 36 HB3 -0.07 0.06 0.07 -0.04 1.99 2.01 2q51A12 GLU 36 HG2 -0.35 0.23 0.33 -0.04 2.34 2.51 2q51A12 GLU 36 HG3 -0.24 -0.08 0.18 -0.04 2.34 2.16 2q51A12 ASN 37 H -0.21 0.25 0.22 -0.55 8.53 8.24 2q51A12 ASN 37 HA -0.01 0.20 0.62 -0.75 4.76 4.81 2q51A12 ASN 37 HB2 -0.08 -0.02 0.11 -0.04 2.88 2.85 2q51A12 ASN 37 HB3 0.03 -0.02 0.13 -0.04 2.79 2.88 2q51A12 ASN 37 HD21 0.02 -0.01 0.02 -0.04 7.03 7.02 2q51A12 ASN 37 HD22 0.01 -0.02 0.01 -0.04 7.74 7.70 2q51A12 GLY 38 H 0.02 -0.00 -0.90 -0.55 8.43 7.00 2q51A12 GLY 38 HA2 0.11 -0.14 0.30 -0.51 4.01 3.77 2q51A12 GLY 38 HA3 0.07 0.13 0.07 -0.51 4.01 3.76 2q51A12 ALA 39 H -0.18 -0.08 0.26 -0.55 8.40 7.85 2q51A12 ALA 39 HA -0.10 0.17 0.76 -0.75 4.34 4.42 2q51A12 ALA 39 HB3 -0.05 0.01 0.00 -0.04 1.41 1.33 2q51A12 GLU 40 H -0.35 0.10 0.18 -0.55 8.60 7.98 2q51A12 GLU 40 HA -0.27 0.12 0.42 -0.75 4.29 3.80 2q51A12 GLU 40 HB2 -0.87 0.07 -0.05 -0.04 2.09 1.20 2q51A12 GLU 40 HB3 -0.23 0.03 0.14 -0.04 1.99 1.89 2q51A12 GLU 40 HG2 -0.10 0.01 0.13 -0.04 2.34 2.34 2q51A12 GLU 40 HG3 -0.81 -0.12 0.14 -0.04 2.34 1.51 2q51A12 ILE 41 H -0.72 0.00 -0.47 -0.55 8.25 6.51 2q51A12 ILE 41 HA -0.46 0.14 0.54 -0.75 4.18 3.63 2q51A12 ILE 41 HB -0.11 0.14 0.01 -0.04 1.89 1.89 2q51A12 ILE 41 HG12 0.07 0.09 0.05 -0.04 1.49 1.66 2q51A12 ILE 41 HG13 -1.22 -0.12 0.01 -0.04 1.21 -0.16 2q51A12 ILE 41 HG23 -0.08 -0.01 -0.01 -0.04 0.93 0.78 2q51A12 ILE 41 HD13 -0.24 -0.01 -0.21 -0.04 0.88 0.38 2q51A12 GLN 42 H -0.20 0.40 -0.24 -0.55 8.47 7.88 2q51A12 GLN 42 HA -0.04 0.16 0.91 -0.75 4.36 4.64 2q51A12 GLN 42 HB2 -0.04 -0.06 -0.07 -0.04 2.15 1.93 2q51A12 GLN 42 HB3 -0.03 -0.02 0.12 -0.04 2.02 2.05 2q51A12 GLN 42 HG2 -0.06 -0.03 0.00 -0.04 2.40 2.28 2q51A12 GLN 42 HG3 -0.14 0.14 0.15 -0.04 2.39 2.50 2q51A12 GLN 42 HE21 -0.04 -0.08 0.09 -0.04 6.97 6.90 2q51A12 GLN 42 HE22 -0.05 0.10 0.14 -0.04 7.69 7.85 2q51A12 ARG 43 H 0.02 0.45 0.24 -0.55 8.46 8.62 2q51A12 ARG 43 HA 0.08 0.09 0.81 -0.75 4.34 4.57 2q51A12 ARG 43 HB2 0.20 0.01 -0.03 -0.04 1.90 2.04 2q51A12 ARG 43 HB3 0.51 -0.09 0.08 -0.04 1.80 2.26 2q51A12 ARG 43 HG2 -0.00 -0.11 -0.56 -0.04 1.67 0.95 2q51A12 ARG 43 HG3 0.05 0.86 0.13 -0.04 1.67 2.66 2q51A12 ARG 43 HD2 -0.04 -0.17 0.04 -0.04 3.22 3.01 2q51A12 ARG 43 HD3 -0.06 0.52 -0.02 -0.04 3.22 3.62 2q51A12 THR 44 H 0.27 0.10 0.09 -0.55 8.28 8.19 2q51A12 THR 44 HA 0.03 -0.05 0.41 -0.75 4.39 4.02 2q51A12 THR 44 HB 0.29 -0.01 0.15 -0.04 4.32 4.70 2q51A12 THR 44 HG23 0.08 0.01 -0.12 -0.04 1.22 1.14 2q51A12 GLY 45 H -0.06 0.01 0.21 -0.55 8.43 8.04 2q51A12 GLY 45 HA2 -0.10 -0.07 0.36 -0.51 4.01 3.69 2q51A12 GLY 45 HA3 -0.21 0.09 0.47 -0.51 4.01 3.85 2q51A12 LEU 46 H -0.05 0.02 0.02 -0.55 8.37 7.81 2q51A12 LEU 46 HA -0.03 0.03 0.37 -0.75 4.35 3.96 2q51A12 LEU 46 HB2 -0.08 0.37 -0.06 -0.04 1.64 1.83 2q51A12 LEU 46 HB3 0.01 -0.11 -0.10 -0.04 1.64 1.40 2q51A12 LEU 46 HG 0.05 -0.03 -0.30 -0.04 1.64 1.31 2q51A12 LEU 46 HD13 0.04 0.01 -0.04 -0.04 0.93 0.89 2q51A12 LEU 46 HD23 0.11 -0.01 -0.20 -0.04 0.89 0.74 2q51A12 GLU 47 H 0.02 0.26 0.16 -0.55 8.60 8.50 2q51A12 GLU 47 HA 0.03 0.09 0.84 -0.75 4.29 4.49 2q51A12 GLU 47 HB2 0.02 -0.07 0.09 -0.04 2.09 2.09 2q51A12 GLU 47 HB3 0.04 0.03 0.20 -0.04 1.99 2.22 2q51A12 GLU 47 HG2 0.08 0.06 -0.15 -0.04 2.34 2.29 2q51A12 GLU 47 HG3 0.04 -0.02 0.01 -0.04 2.34 2.34 2q51A12 VAL 48 H 0.05 0.20 0.21 -0.55 8.24 8.15 2q51A12 VAL 48 HA 0.13 0.33 1.05 -0.75 4.13 4.89 2q51A12 VAL 48 HB 0.01 0.09 0.17 -0.04 2.12 2.34 2q51A12 VAL 48 HG13 0.02 -0.06 -0.19 -0.04 0.97 0.71 2q51A12 VAL 48 HG23 0.02 -0.00 -0.07 -0.04 0.95 0.86 2q51A12 LYS 49 H 0.24 0.54 0.31 -0.55 8.42 8.95 2q51A12 LYS 49 HA 0.18 0.22 0.90 -0.75 4.32 4.86 2q51A12 LYS 49 HB2 0.27 -0.05 0.01 -0.04 1.87 2.07 2q51A12 LYS 49 HB3 0.40 -0.03 0.17 -0.04 1.79 2.28 2q51A12 LYS 49 HG2 0.42 0.04 -0.09 -0.04 1.46 1.79 2q51A12 LYS 49 HG3 0.26 0.05 -0.03 -0.04 1.46 1.70 2q51A12 LYS 49 HD2 0.19 -0.03 -0.01 -0.04 1.69 1.80 2q51A12 LYS 49 HD3 0.13 -0.03 -0.02 -0.04 1.68 1.73 2q51A12 LYS 49 HE2 0.25 -0.02 -0.01 -0.04 2.99 3.17 2q51A12 LYS 49 HE3 0.13 -0.01 -0.01 -0.04 2.99 3.07 2q51A12 PRO 50 HA 0.25 0.09 0.56 -0.51 4.44 4.82 2q51A12 PRO 50 HB2 0.21 0.02 0.03 -0.04 2.28 2.49 2q51A12 PRO 50 HB3 0.28 -0.07 0.18 -0.04 2.02 2.38 2q51A12 PRO 50 HG2 0.19 0.05 0.21 -0.04 2.03 2.44 2q51A12 PRO 50 HG3 0.27 -0.06 0.19 -0.04 2.03 2.39 2q51A12 PRO 50 HD2 0.14 0.25 0.39 -0.04 3.68 4.41 2q51A12 PRO 50 HD3 0.16 0.06 -0.00 -0.04 3.65 3.83 2q51A12 PHE 51 H 0.24 0.21 0.11 -0.55 8.34 8.35 2q51A12 PHE 51 HA 0.12 0.06 0.47 -0.75 4.62 4.51 2q51A12 PHE 51 HB2 0.36 0.28 -0.22 -0.04 3.15 3.53 2q51A12 PHE 51 HB3 0.08 -0.11 -0.04 -0.04 3.06 2.96 2q51A12 PHE 51 HD2 -0.29 -0.04 -0.11 -0.04 7.28 6.80 2q51A12 PHE 51 HE2 -0.10 -0.02 -0.03 -0.04 7.38 7.18 2q51A12 PHE 51 HZ 0.04 -0.04 -0.01 -0.04 7.32 7.26 2q51A12 ILE 52 H -0.32 0.19 0.06 -0.55 8.25 7.62 2q51A12 ILE 52 HA -0.11 0.04 0.68 -0.75 4.18 4.03 2q51A12 ILE 52 HB -0.21 0.02 0.11 -0.04 1.89 1.77 2q51A12 ILE 52 HG12 -0.07 0.06 -0.20 -0.04 1.49 1.25 2q51A12 ILE 52 HG13 -0.07 0.02 -0.06 -0.04 1.21 1.06 2q51A12 ILE 52 HG23 -0.12 -0.01 -0.23 -0.04 0.93 0.53 2q51A12 ILE 52 HD13 -0.06 -0.04 0.00 -0.04 0.88 0.74 2q51A12 THR 53 H -0.12 0.34 0.28 -0.55 8.28 8.24 2q51A12 THR 53 HA -0.34 0.18 0.30 -0.75 4.39 3.77 2q51A12 THR 53 HB -0.10 -0.16 -0.28 -0.04 4.32 3.74 2q51A12 THR 53 HG23 -0.13 0.00 -0.29 -0.04 1.22 0.76 2q51A12 ASN 54 H -0.06 0.18 -0.21 -0.55 8.53 7.89 2q51A12 ASN 54 HA 0.05 0.31 1.14 -0.75 4.76 5.50 2q51A12 ASN 54 HB2 0.07 -0.01 0.06 -0.04 2.88 2.97 2q51A12 ASN 54 HB3 0.06 0.44 0.23 -0.04 2.79 3.48 2q51A12 ASN 54 HD21 0.27 -0.17 0.08 -0.04 7.03 7.17 2q51A12 ASN 54 HD22 0.18 0.09 0.13 -0.04 7.74 8.09 2q51A12 PRO 55 HA -0.01 0.05 0.35 -0.51 4.44 4.32 2q51A12 PRO 55 HB2 0.09 0.02 0.02 -0.04 2.28 2.38 2q51A12 PRO 55 HB3 0.00 0.08 0.05 -0.04 2.02 2.11 2q51A12 PRO 55 HG2 0.11 0.06 0.06 -0.04 2.03 2.22 2q51A12 PRO 55 HG3 -0.05 0.18 0.01 -0.04 2.03 2.13 2q51A12 PRO 55 HD2 0.27 -0.06 0.14 -0.04 3.68 3.98 2q51A12 PRO 55 HD3 0.04 0.45 0.11 -0.04 3.65 4.21 2q51A12 ARG 56 H 0.15 0.14 -0.03 -0.55 8.46 8.17 2q51A12 ARG 56 HA -0.12 0.12 0.28 -0.75 4.34 3.87 2q51A12 ARG 56 HB2 -1.07 -0.01 0.09 -0.04 1.90 0.88 2q51A12 ARG 56 HB3 -0.36 -0.04 -0.06 -0.04 1.80 1.29 2q51A12 ARG 56 HG2 -0.56 -0.03 -0.02 -0.04 1.67 1.02 2q51A12 ARG 56 HG3 -0.26 0.06 0.01 -0.04 1.67 1.44 2q51A12 ARG 56 HD2 -0.21 0.04 -0.00 -0.04 3.22 3.01 2q51A12 ARG 56 HD3 -0.36 -0.03 -0.00 -0.04 3.22 2.79 2q51A12 ALA 57 H 0.05 0.04 -0.32 -0.55 8.40 7.62 2q51A12 ALA 57 HA -0.01 0.21 0.27 -0.75 4.34 4.04 2q51A12 ALA 57 HB3 0.08 -0.03 -0.22 -0.04 1.41 1.20 2q51A12 VAL 58 H 0.02 0.49 -0.13 -0.55 8.24 8.06 2q51A12 VAL 58 HA 0.01 -0.01 0.35 -0.75 4.13 3.72 2q51A12 VAL 58 HB -0.01 0.02 0.17 -0.04 2.12 2.26 2q51A12 VAL 58 HG13 -0.01 0.01 -0.14 -0.04 0.97 0.79 2q51A12 VAL 58 HG23 -0.01 0.07 0.04 -0.04 0.95 1.01 2q51A12 LYS 59 H -0.01 0.27 0.00 -0.55 8.42 8.13 2q51A12 LYS 59 HA -0.01 -0.00 0.30 -0.75 4.32 3.85 2q51A12 LYS 59 HB2 -0.02 -0.02 0.11 -0.04 1.87 1.89 2q51A12 LYS 59 HB3 -0.03 0.10 0.04 -0.04 1.79 1.86 2q51A12 LYS 59 HG2 -0.02 -0.03 -0.05 -0.04 1.46 1.31 2q51A12 LYS 59 HG3 -0.02 0.05 -0.30 -0.04 1.46 1.14 2q51A12 LYS 59 HD2 -0.01 0.01 0.02 -0.04 1.69 1.67 2q51A12 LYS 59 HD3 -0.01 -0.02 0.01 -0.04 1.68 1.62 2q51A12 LYS 59 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.90 2q51A12 LYS 59 HE3 -0.01 0.00 -0.04 -0.04 2.99 2.90 2q51A12 LYS 60 H -0.03 0.20 -0.63 -0.55 8.42 7.41 2q51A12 LYS 60 HA -0.03 0.00 0.45 -0.75 4.32 4.00 2q51A12 LYS 60 HB2 -0.05 -0.09 0.05 -0.04 1.87 1.74 2q51A12 LYS 60 HB3 -0.04 0.16 0.04 -0.04 1.79 1.91 2q51A12 LYS 60 HG2 -0.05 0.06 -0.23 -0.04 1.46 1.21 2q51A12 LYS 60 HG3 -0.04 -0.05 0.07 -0.04 1.46 1.39 2q51A12 LYS 60 HD2 -0.06 -0.01 -0.03 -0.04 1.69 1.55 2q51A12 LYS 60 HD3 -0.06 0.00 -0.07 -0.04 1.68 1.51 2q51A12 LYS 60 HE2 -0.05 -0.03 0.01 -0.04 2.99 2.87 2q51A12 LYS 60 HE3 -0.05 -0.00 0.01 -0.04 2.99 2.91 2q51A12 CYS 61 H -0.02 1.34 -0.15 -0.55 8.50 9.13 2q51A12 CYS 61 HA -0.01 -0.07 0.33 -0.75 4.58 4.08 2q51A12 CYS 61 HB2 -0.02 0.03 -0.04 -0.04 2.97 2.91 2q51A12 CYS 61 HB3 -0.02 0.07 0.27 -0.04 2.97 3.25 2q51A12 THR 62 H -0.01 -0.02 -0.29 -0.55 8.28 7.42 2q51A12 THR 62 HA -0.06 -0.04 0.39 -0.75 4.39 3.92 2q51A12 THR 62 HB -0.05 0.48 -0.95 -0.04 4.32 3.76 2q51A12 THR 62 HG23 -0.05 0.03 -0.07 -0.04 1.22 1.08 2q51A12 ARG 63 H -0.04 0.13 0.06 -0.55 8.46 8.06 2q51A12 ARG 63 HA 0.04 -0.22 0.41 -0.75 4.34 3.82 2q51A12 ARG 63 HB2 -0.10 0.02 0.11 -0.04 1.90 1.89 2q51A12 ARG 63 HB3 -0.27 0.04 0.04 -0.04 1.80 1.57 2q51A12 ARG 63 HG2 -0.03 0.08 -0.04 -0.04 1.67 1.64 2q51A12 ARG 63 HG3 0.16 -0.01 -0.17 -0.04 1.67 1.60 2q51A12 ARG 63 HD2 -0.29 -0.11 0.05 -0.04 3.22 2.83 2q51A12 ARG 63 HD3 -0.15 0.01 0.03 -0.04 3.22 3.07 2q51A12 TYR 64 H -0.44 0.15 0.03 -0.55 8.29 7.47 2q51A12 TYR 64 HA 0.08 0.10 0.61 -0.75 4.56 4.60 2q51A12 TYR 64 HB2 0.10 -0.14 0.19 -0.04 3.06 3.18 2q51A12 TYR 64 HB3 0.12 -0.01 -0.14 -0.04 2.98 2.91 2q51A12 TYR 64 HD2 0.04 -0.10 -0.47 -0.04 7.15 6.58 2q51A12 TYR 64 HE2 0.00 0.12 -0.34 -0.04 6.85 6.60 2q51A12 ILE 65 H 0.37 -0.05 0.19 -0.55 8.25 8.20 2q51A12 ILE 65 HA 0.05 0.33 0.91 -0.75 4.18 4.73 2q51A12 ILE 65 HB 0.13 -0.17 0.14 -0.04 1.89 1.95 2q51A12 ILE 65 HG12 0.01 -0.13 -0.24 -0.04 1.49 1.09 2q51A12 ILE 65 HG13 -0.33 -0.03 -0.09 -0.04 1.21 0.71 2q51A12 ILE 65 HG23 -0.04 0.03 -0.14 -0.04 0.93 0.74 2q51A12 ILE 65 HD13 -0.08 0.12 -0.28 -0.04 0.88 0.61 2q51A12 ASP 66 H 0.27 -0.16 0.22 -0.55 8.40 8.18 2q51A12 ASP 66 HA 0.19 0.34 0.98 -0.75 4.63 5.39 2q51A12 ASP 66 HB2 0.11 -0.20 0.07 -0.04 2.71 2.65 2q51A12 ASP 66 HB3 0.05 0.08 0.03 -0.04 2.70 2.82 2q51A12 CYS 67 H -0.13 0.01 0.23 -0.55 8.50 8.06 2q51A12 CYS 67 HA -1.13 0.16 0.46 -0.75 4.58 3.31 2q51A12 CYS 67 HB2 -0.23 0.04 0.01 -0.04 2.97 2.75 2q51A12 CYS 67 HB3 -0.18 0.21 -0.19 -0.04 2.97 2.77 2q51A12 ASP 68 H -0.40 0.23 0.06 -0.55 8.40 7.75 2q51A12 ASP 68 HA 0.11 0.04 0.42 -0.75 4.63 4.44 2q51A12 ASP 68 HB2 0.09 0.06 0.06 -0.04 2.71 2.87 2q51A12 ASP 68 HB3 0.01 0.08 0.12 -0.04 2.70 2.87 2q51A12 LEU 69 H 0.17 0.24 0.31 -0.55 8.37 8.54 2q51A12 LEU 69 HA 0.13 0.08 0.31 -0.75 4.35 4.11 2q51A12 LEU 69 HB2 0.16 -0.03 0.23 -0.04 1.64 1.96 2q51A12 LEU 69 HB3 0.15 0.05 0.07 -0.04 1.64 1.87 2q51A12 LEU 69 HG 0.48 -0.00 -0.01 -0.04 1.64 2.06 2q51A12 LEU 69 HD13 0.11 -0.04 0.06 -0.04 0.93 1.02 2q51A12 LEU 69 HD23 0.12 -0.00 -0.04 -0.04 0.89 0.93 2q51A12 ASN 70 H 0.18 -0.04 -0.62 -0.55 8.53 7.49 2q51A12 ASN 70 HA 0.13 0.15 0.48 -0.75 4.76 4.76 2q51A12 ASN 70 HB2 -0.09 -0.04 -0.05 -0.04 2.88 2.66 2q51A12 ASN 70 HB3 0.23 0.01 -0.07 -0.04 2.79 2.92 2q51A12 ASN 70 HD21 0.01 0.02 -0.03 -0.04 7.03 6.99 2q51A12 ASN 70 HD22 0.15 -0.00 -0.06 -0.04 7.74 7.79 2q51A12 ARG 71 H 0.13 0.46 -0.37 -0.55 8.46 8.13 2q51A12 ARG 71 HA 0.11 0.16 0.78 -0.75 4.34 4.64 2q51A12 ARG 71 HB2 0.03 0.05 0.01 -0.04 1.90 1.95 2q51A12 ARG 71 HB3 0.03 0.01 0.11 -0.04 1.80 1.91 2q51A12 ARG 71 HG2 0.07 0.08 -0.22 -0.04 1.67 1.56 2q51A12 ARG 71 HG3 0.10 -0.18 -0.38 -0.04 1.67 1.16 2q51A12 ARG 71 HD2 0.00 -0.08 -0.03 -0.04 3.22 3.07 2q51A12 ARG 71 HD3 0.00 0.05 -0.04 -0.04 3.22 3.20 2q51A12 ILE 72 H 0.20 0.25 -0.11 -0.55 8.25 8.04 2q51A12 ILE 72 HA 0.02 0.17 0.91 -0.75 4.18 4.52 2q51A12 ILE 72 HB -0.09 -0.02 0.10 -0.04 1.89 1.84 2q51A12 ILE 72 HG12 0.07 -0.03 -0.07 -0.04 1.49 1.42 2q51A12 ILE 72 HG13 -0.16 0.12 -0.18 -0.04 1.21 0.95 2q51A12 ILE 72 HG23 -0.02 -0.01 -0.30 -0.04 0.93 0.56 2q51A12 ILE 72 HD13 -0.08 -0.02 -0.23 -0.04 0.88 0.51 2q51A12 PHE 73 H 0.32 0.61 -0.06 -0.55 8.34 8.67 2q51A12 PHE 73 HA 0.02 0.14 0.87 -0.75 4.62 4.90 2q51A12 PHE 73 HB2 0.07 0.46 -0.03 -0.04 3.15 3.61 2q51A12 PHE 73 HB3 0.06 -0.04 0.14 -0.04 3.06 3.18 2q51A12 PHE 73 HD2 0.05 0.01 -0.03 -0.04 7.28 7.27 2q51A12 PHE 73 HE2 0.03 -0.01 -0.01 -0.04 7.38 7.35 2q51A12 PHE 73 HZ -0.01 -0.01 0.01 -0.04 7.32 7.27 2q51A12 ASP 74 H -0.02 0.33 -0.26 -0.55 8.40 7.91 2q51A12 ASP 74 HA 0.07 0.27 0.56 -0.75 4.63 4.77 2q51A12 ASP 74 HB2 0.03 -0.06 0.02 -0.04 2.71 2.66 2q51A12 ASP 74 HB3 0.07 0.25 -0.38 -0.04 2.70 2.60 2q51A12 LEU 75 H 0.02 0.26 0.09 -0.55 8.37 8.19 2q51A12 LEU 75 HA -0.00 0.08 0.34 -0.75 4.35 4.02 2q51A12 LEU 75 HB2 0.01 0.09 0.09 -0.04 1.64 1.79 2q51A12 LEU 75 HB3 0.00 -0.02 0.06 -0.04 1.64 1.65 2q51A12 LEU 75 HG -0.00 -0.02 0.02 -0.04 1.64 1.60 2q51A12 LEU 75 HD13 0.01 0.02 -0.02 -0.04 0.93 0.90 2q51A12 LEU 75 HD23 -0.00 0.01 -0.25 -0.04 0.89 0.60 2q51A12 GLU 76 H -0.01 0.06 -0.28 -0.55 8.60 7.82 2q51A12 GLU 76 HA -0.02 0.08 0.36 -0.75 4.29 3.97 2q51A12 GLU 76 HB2 -0.02 0.01 0.04 -0.04 2.09 2.07 2q51A12 GLU 76 HB3 -0.02 -0.05 -0.01 -0.04 1.99 1.87 2q51A12 GLU 76 HG2 -0.03 0.05 -0.45 -0.04 2.34 1.88 2q51A12 GLU 76 HG3 -0.02 -0.00 -0.02 -0.04 2.34 2.26 2q51A12 ASN 77 H -0.04 0.11 -0.29 -0.55 8.53 7.76 2q51A12 ASN 77 HA -0.05 0.23 1.13 -0.75 4.76 5.31 2q51A12 ASN 77 HB2 -0.06 -0.07 0.13 -0.04 2.88 2.83 2q51A12 ASN 77 HB3 -0.11 0.09 -0.01 -0.04 2.79 2.71 2q51A12 ASN 77 HD21 -0.03 -0.01 -0.07 -0.04 7.03 6.87 2q51A12 ASN 77 HD22 -0.03 -0.00 -0.04 -0.04 7.74 7.63 2q51A12 LEU 78 H -0.08 0.74 0.23 -0.55 8.37 8.72 2q51A12 LEU 78 HA -0.18 0.03 0.37 -0.75 4.35 3.81 2q51A12 LEU 78 HB2 -0.05 -0.05 -0.09 -0.04 1.64 1.41 2q51A12 LEU 78 HB3 -0.09 0.02 -0.08 -0.04 1.64 1.45 2q51A12 LEU 78 HG -0.13 -0.08 0.07 -0.04 1.64 1.45 2q51A12 LEU 78 HD13 0.02 -0.01 -0.16 -0.04 0.93 0.75 2q51A12 LEU 78 HD23 -0.39 0.00 -0.07 -0.04 0.89 0.40 2q51A12 GLY 79 H -0.04 0.20 -0.35 -0.55 8.43 7.70 2q51A12 GLY 79 HA2 -0.01 0.03 0.26 -0.51 4.01 3.78 2q51A12 GLY 79 HA3 -0.01 0.00 0.20 -0.51 4.01 3.69 2q51A12 LYS 80 H -0.04 0.41 -0.35 -0.55 8.42 7.88 2q51A12 LYS 80 HA -0.02 -0.06 0.47 -0.75 4.32 3.96 2q51A12 LYS 80 HB2 -0.04 0.04 0.11 -0.04 1.87 1.94 2q51A12 LYS 80 HB3 -0.02 -0.06 0.04 -0.04 1.79 1.71 2q51A12 LYS 80 HG2 -0.03 -0.03 0.07 -0.04 1.46 1.44 2q51A12 LYS 80 HG3 -0.04 0.13 0.18 -0.04 1.46 1.69 2q51A12 LYS 80 HD2 -0.03 -0.05 0.04 -0.04 1.69 1.61 2q51A12 LYS 80 HD3 -0.02 -0.05 0.04 -0.04 1.68 1.60 2q51A12 LYS 80 HE2 -0.03 0.18 0.06 -0.04 2.99 3.16 2q51A12 LYS 80 HE3 -0.04 -0.07 0.03 -0.04 2.99 2.87 2q51A12 LYS 81 H -0.01 0.02 0.15 -0.55 8.42 8.03 2q51A12 LYS 81 HA 0.00 0.13 0.18 -0.75 4.32 3.88 2q51A12 LYS 81 HB2 0.00 0.02 0.11 -0.04 1.87 1.96 2q51A12 LYS 81 HB3 -0.00 -0.06 0.12 -0.04 1.79 1.81 2q51A12 LYS 81 HG2 0.01 0.04 0.03 -0.04 1.46 1.50 2q51A12 LYS 81 HG3 0.00 -0.04 0.02 -0.04 1.46 1.40 2q51A12 LYS 81 HD2 0.00 0.15 -0.39 -0.04 1.69 1.41 2q51A12 LYS 81 HD3 0.00 -0.07 -0.09 -0.04 1.68 1.48 2q51A12 LYS 81 HE2 0.00 -0.06 -0.04 -0.04 2.99 2.86 2q51A12 LYS 81 HE3 -0.00 -0.01 0.01 -0.04 2.99 2.95 2q51A12 SER 83 HA 0.01 -0.06 0.23 -0.75 4.49 3.91 2q51A12 SER 83 HB2 0.00 0.01 -0.16 -0.04 3.95 3.76 2q51A12 SER 83 HB3 0.00 0.17 0.13 -0.04 3.93 4.20 2q51A12 GLU 84 H 0.01 0.10 0.13 -0.55 8.60 8.30 2q51A12 GLU 84 HA 0.02 0.13 0.49 -0.75 4.29 4.17 2q51A12 GLU 84 HB2 0.02 0.02 0.07 -0.04 2.09 2.17 2q51A12 GLU 84 HB3 0.02 0.01 0.14 -0.04 1.99 2.11 2q51A12 GLU 84 HG2 0.01 -0.04 0.13 -0.04 2.34 2.39 2q51A12 GLU 84 HG3 0.02 0.05 -0.06 -0.04 2.34 2.30 2q51A12 ASP 85 H 0.01 0.02 -0.13 -0.55 8.40 7.76 2q51A12 ASP 85 HA 0.02 0.11 0.43 -0.75 4.63 4.44 2q51A12 ASP 85 HB2 0.01 0.03 -0.04 -0.04 2.71 2.67 2q51A12 ASP 85 HB3 0.01 0.00 0.10 -0.04 2.70 2.77 2q51A12 LEU 86 H 0.01 0.32 -0.66 -0.55 8.37 7.49 2q51A12 LEU 86 HA -0.00 0.07 0.47 -0.75 4.35 4.13 2q51A12 LEU 86 HB2 -0.01 0.13 -0.05 -0.04 1.64 1.67 2q51A12 LEU 86 HB3 -0.02 -0.09 -0.07 -0.04 1.64 1.41 2q51A12 LEU 86 HG -0.01 -0.05 0.02 -0.04 1.64 1.56 2q51A12 LEU 86 HD13 -0.03 0.06 -0.36 -0.04 0.93 0.56 2q51A12 LEU 86 HD23 -0.02 -0.03 -0.06 -0.04 0.89 0.74 2q51A12 PRO 87 HA 0.06 0.06 0.47 -0.51 4.44 4.52 2q51A12 PRO 87 HB2 0.01 -0.15 0.02 -0.04 2.28 2.12 2q51A12 PRO 87 HB3 0.02 0.11 0.10 -0.04 2.02 2.21 2q51A12 PRO 87 HG2 -0.02 -0.10 0.13 -0.04 2.03 2.00 2q51A12 PRO 87 HG3 -0.02 0.09 0.07 -0.04 2.03 2.14 2q51A12 PRO 87 HD2 -0.01 0.13 0.19 -0.04 3.68 3.95 2q51A12 PRO 87 HD3 -0.00 0.19 0.18 -0.04 3.65 3.98 2q51A12 TYR 88 H 0.17 0.21 0.21 -0.55 8.29 8.33 2q51A12 TYR 88 HA 0.01 0.17 0.34 -0.75 4.56 4.33 2q51A12 TYR 88 HB2 0.02 0.13 0.15 -0.04 3.06 3.32 2q51A12 TYR 88 HB3 0.03 -0.19 0.13 -0.04 2.98 2.91 2q51A12 TYR 88 HD2 0.04 -0.03 0.00 -0.04 7.15 7.12 2q51A12 TYR 88 HE2 0.03 0.01 0.00 -0.04 6.85 6.85 2q51A12 GLU 89 H 0.18 -0.03 -0.14 -0.55 8.60 8.05 2q51A12 GLU 89 HA -0.11 0.03 0.43 -0.75 4.29 3.89 2q51A12 GLU 89 HB2 0.02 -0.01 0.04 -0.04 2.09 2.10 2q51A12 GLU 89 HB3 0.02 0.06 -0.05 -0.04 1.99 1.97 2q51A12 GLU 89 HG2 0.10 0.59 0.28 -0.04 2.34 3.27 2q51A12 GLU 89 HG3 0.20 0.02 0.18 -0.04 2.34 2.71 2q51A12 VAL 90 H -0.06 0.43 -0.08 -0.55 8.24 7.99 2q51A12 VAL 90 HA -0.15 0.04 0.43 -0.75 4.13 3.70 2q51A12 VAL 90 HB -0.06 0.03 0.04 -0.04 2.12 2.09 2q51A12 VAL 90 HG13 -0.10 0.03 -0.12 -0.04 0.97 0.74 2q51A12 VAL 90 HG23 -0.06 -0.03 0.04 -0.04 0.95 0.86 2q51A12 ARG 91 H -0.10 0.25 -0.24 -0.55 8.46 7.82 2q51A12 ARG 91 HA -0.09 0.08 0.35 -0.75 4.34 3.92 2q51A12 ARG 91 HB2 -0.06 0.12 0.00 -0.04 1.90 1.93 2q51A12 ARG 91 HB3 -0.14 0.11 0.05 -0.04 1.80 1.78 2q51A12 ARG 91 HG2 -0.10 -0.05 -0.28 -0.04 1.67 1.20 2q51A12 ARG 91 HG3 -0.04 -0.00 -0.01 -0.04 1.67 1.58 2q51A12 ARG 91 HD2 -0.02 -0.08 -0.02 -0.04 3.22 3.06 2q51A12 ARG 91 HD3 0.00 -0.04 -0.03 -0.04 3.22 3.11 2q51A12 ARG 92 H -0.28 0.45 -0.33 -0.55 8.46 7.75 2q51A12 ARG 92 HA -0.12 0.00 0.48 -0.75 4.34 3.95 2q51A12 ARG 92 HB2 -0.64 -0.04 0.07 -0.04 1.90 1.25 2q51A12 ARG 92 HB3 -0.24 0.08 0.18 -0.04 1.80 1.79 2q51A12 ARG 92 HG2 -0.05 -0.10 0.09 -0.04 1.67 1.57 2q51A12 ARG 92 HG3 0.02 0.03 0.01 -0.04 1.67 1.69 2q51A12 ARG 92 HD2 -0.01 -0.01 0.12 -0.04 3.22 3.28 2q51A12 ARG 92 HD3 -0.08 -0.09 0.07 -0.04 3.22 3.07 2q51A12 ALA 93 H -0.18 0.56 -0.05 -0.55 8.40 8.18 2q51A12 ALA 93 HA -0.18 -0.05 0.48 -0.75 4.34 3.84 2q51A12 ALA 93 HB3 -0.67 0.02 0.13 -0.04 1.41 0.84 2q51A12 GLN 94 H -0.21 0.76 0.03 -0.55 8.47 8.49 2q51A12 GLN 94 HA -0.35 0.03 0.41 -0.75 4.36 3.69 2q51A12 GLN 94 HB2 -0.13 0.01 0.14 -0.04 2.15 2.13 2q51A12 GLN 94 HB3 -0.22 -0.01 0.04 -0.04 2.02 1.79 2q51A12 GLN 94 HG2 -0.19 -0.05 0.03 -0.04 2.40 2.15 2q51A12 GLN 94 HG3 -0.13 -0.06 -0.23 -0.04 2.39 1.93 2q51A12 GLN 94 HE21 -0.04 0.03 0.01 -0.04 6.97 6.93 2q51A12 GLN 94 HE22 -0.12 -0.00 0.09 -0.04 7.69 7.62 2q51A12 GLU 95 H -0.09 0.62 -0.09 -0.55 8.60 8.50 2q51A12 GLU 95 HA 0.07 0.00 0.40 -0.75 4.29 4.01 2q51A12 GLU 95 HB2 0.01 0.09 0.18 -0.04 2.09 2.33 2q51A12 GLU 95 HB3 0.03 0.04 0.25 -0.04 1.99 2.26 2q51A12 GLU 95 HG2 0.09 -0.04 -0.05 -0.04 2.34 2.30 2q51A12 GLU 95 HG3 0.07 -0.02 0.03 -0.04 2.34 2.37 2q51A12 ILE 96 H 0.07 0.77 0.06 -0.55 8.25 8.60 2q51A12 ILE 96 HA 0.12 -0.05 0.34 -0.75 4.18 3.85 2q51A12 ILE 96 HB 0.35 0.04 0.20 -0.04 1.89 2.44 2q51A12 ILE 96 HG12 0.20 -0.06 0.06 -0.04 1.49 1.64 2q51A12 ILE 96 HG13 0.16 0.11 0.22 -0.04 1.21 1.66 2q51A12 ILE 96 HG23 0.01 -0.03 -0.14 -0.04 0.93 0.72 2q51A12 ILE 96 HD13 0.13 -0.03 -0.01 -0.04 0.88 0.93 2q51A12 ASN 97 H 0.09 1.09 -0.07 -0.55 8.53 9.09 2q51A12 ASN 97 HA 0.30 -0.07 0.40 -0.75 4.76 4.64 2q51A12 ASN 97 HB2 -0.01 -0.14 0.10 -0.04 2.88 2.80 2q51A12 ASN 97 HB3 -0.19 0.30 0.28 -0.04 2.79 3.14 2q51A12 ASN 97 HD21 -0.13 -0.08 -0.08 -0.04 7.03 6.70 2q51A12 ASN 97 HD22 -0.42 0.05 0.05 -0.04 7.74 7.37 2q51A12 HIS 98 H 0.01 0.68 -0.18 -0.55 8.41 8.37 2q51A12 HIS 98 HA 0.06 -0.03 0.58 -0.75 4.63 4.49 2q51A12 HIS 98 HB2 0.03 0.09 0.25 -0.04 3.26 3.58 2q51A12 HIS 98 HB3 0.02 -0.08 -0.03 -0.04 3.20 3.06 2q51A12 HIS 98 HD2 0.03 -0.04 -0.06 -0.04 6.97 6.85 2q51A12 HIS 98 HE1 -0.00 -0.04 -0.05 -0.04 7.75 7.61 2q51A12 LEU 99 H 0.13 1.28 0.27 -0.55 8.37 9.50 2q51A12 LEU 99 HA -0.04 -0.05 0.36 -0.75 4.35 3.87 2q51A12 LEU 99 HB2 0.07 0.01 -0.04 -0.04 1.64 1.64 2q51A12 LEU 99 HB3 -0.20 -0.01 -0.05 -0.04 1.64 1.33 2q51A12 LEU 99 HG -0.07 -0.01 0.02 -0.04 1.64 1.54 2q51A12 LEU 99 HD13 0.07 -0.06 -0.07 -0.04 0.93 0.83 2q51A12 LEU 99 HD23 0.05 -0.02 -0.06 -0.04 0.89 0.82 2q51A12 PHE 100 H 0.28 0.70 -0.11 -0.55 8.34 8.66 2q51A12 PHE 100 HA 0.26 0.12 0.78 -0.75 4.62 5.03 2q51A12 PHE 100 HB2 0.07 0.03 -0.05 -0.04 3.15 3.17 2q51A12 PHE 100 HB3 -0.06 -0.09 0.03 -0.04 3.06 2.90 2q51A12 PHE 100 HD2 -1.12 0.00 -0.05 -0.04 7.28 6.08 2q51A12 PHE 100 HE2 -1.27 0.00 -0.06 -0.04 7.38 6.01 2q51A12 PHE 100 HZ -0.30 0.07 -0.08 -0.04 7.32 6.97 2q51A12 GLY 101 H 0.21 -0.03 -0.73 -0.55 8.43 7.34 2q51A12 GLY 101 HA2 0.20 -0.10 0.16 -0.51 4.01 3.76 2q51A12 GLY 101 HA3 0.19 0.29 0.64 -0.51 4.01 4.61 2q51A12 PRO 102 HA 0.15 0.12 0.43 -0.51 4.44 4.64 2q51A12 PRO 102 HB2 0.07 0.05 -0.08 -0.04 2.28 2.29 2q51A12 PRO 102 HB3 0.11 -0.01 0.05 -0.04 2.02 2.12 2q51A12 PRO 102 HG2 0.04 -0.04 0.04 -0.04 2.03 2.03 2q51A12 PRO 102 HG3 0.06 0.03 -0.01 -0.04 2.03 2.08 2q51A12 PRO 102 HD2 0.06 -0.05 0.35 -0.04 3.68 4.00 2q51A12 PRO 102 HD3 0.06 0.19 0.08 -0.04 3.65 3.94 2q51A12 LYS 103 H 0.12 0.07 0.13 -0.55 8.42 8.19 2q51A12 LYS 103 HA 0.10 0.27 0.49 -0.75 4.32 4.43 2q51A12 LYS 103 HB2 0.15 -0.01 0.12 -0.04 1.87 2.09 2q51A12 LYS 103 HB3 0.10 -0.10 0.07 -0.04 1.79 1.82 2q51A12 LYS 103 HG2 0.08 -0.06 -0.19 -0.04 1.46 1.24 2q51A12 LYS 103 HG3 0.09 0.16 0.08 -0.04 1.46 1.74 2q51A12 LYS 103 HD2 0.17 -0.05 -0.12 -0.04 1.69 1.65 2q51A12 LYS 103 HD3 0.11 -0.16 -0.11 -0.04 1.68 1.48 2q51A12 LYS 103 HE2 0.10 -0.10 -0.02 -0.04 2.99 2.93 2q51A12 LYS 103 HE3 0.11 0.46 -0.26 -0.04 2.99 3.26 2q51A12 ASP 104 H 0.05 0.26 0.17 -0.55 8.40 8.33 2q51A12 ASP 104 HA 0.02 0.02 0.31 -0.75 4.63 4.23 2q51A12 ASP 104 HB2 0.04 0.31 0.07 -0.04 2.71 3.09 2q51A12 ASP 104 HB3 0.03 -0.07 0.26 -0.04 2.70 2.88 2q51A12 SER 105 H 0.04 0.33 -0.01 -0.55 8.46 8.27 2q51A12 SER 105 HA 0.01 -0.00 0.55 -0.75 4.49 4.29 2q51A12 SER 105 HB2 0.03 0.12 -0.20 -0.04 3.95 3.86 2q51A12 SER 105 HB3 0.03 0.07 0.07 -0.04 3.93 4.06 2q51A12 GLU 106 H 0.00 0.12 0.10 -0.55 8.60 8.28 2q51A12 GLU 106 HA 0.00 0.08 0.32 -0.75 4.29 3.94 2q51A12 GLU 106 HB2 -0.00 -0.04 0.02 -0.04 2.09 2.03 2q51A12 GLU 106 HB3 -0.00 0.04 0.07 -0.04 1.99 2.06 2q51A12 GLU 106 HG2 -0.00 -0.02 0.06 -0.04 2.34 2.34 2q51A12 GLU 106 HG3 -0.00 0.03 0.08 -0.04 2.34 2.41 2q51A12 ASP 107 H 0.01 -0.16 -0.94 -0.55 8.40 6.77 2q51A12 ASP 107 HA -0.01 -0.07 0.41 -0.75 4.63 4.20 2q51A12 ASP 107 HB2 0.01 -0.16 0.07 -0.04 2.71 2.59 2q51A12 ASP 107 HB3 0.03 0.04 0.18 -0.04 2.70 2.91 2q51A12 SER 108 H 0.06 0.30 0.05 -0.55 8.46 8.32 2q51A12 SER 108 HA 0.17 0.28 0.34 -0.75 4.49 4.53 2q51A12 SER 108 HB2 0.19 -0.07 -0.18 -0.04 3.95 3.85 2q51A12 SER 108 HB3 0.16 -0.25 -0.32 -0.04 3.93 3.49 2q51A12 TYR 109 H 0.60 0.23 0.18 -0.55 8.29 8.75 2q51A12 TYR 109 HA 0.11 -0.06 0.39 -0.75 4.56 4.24 2q51A12 TYR 109 HB2 0.17 -0.05 -0.09 -0.04 3.06 3.05 2q51A12 TYR 109 HB3 0.14 0.01 -0.15 -0.04 2.98 2.95 2q51A12 TYR 109 HD2 0.19 0.11 -0.05 -0.04 7.15 7.36 2q51A12 TYR 109 HE2 -0.04 0.07 0.05 -0.04 6.85 6.89 2q51A12 ASP 110 H 0.18 0.33 0.29 -0.55 8.40 8.66 2q51A12 ASP 110 HA 0.11 0.13 0.69 -0.75 4.63 4.80 2q51A12 ASP 110 HB2 0.20 0.06 0.13 -0.04 2.71 3.06 2q51A12 ASP 110 HB3 0.25 -0.02 -0.03 -0.04 2.70 2.87 2q51A12 ILE 111 H 0.26 0.35 0.15 -0.55 8.25 8.45 2q51A12 ILE 111 HA 0.14 0.26 0.72 -0.75 4.18 4.54 2q51A12 ILE 111 HB 0.44 -0.06 0.07 -0.04 1.89 2.30 2q51A12 ILE 111 HG12 0.43 0.06 -0.06 -0.04 1.49 1.88 2q51A12 ILE 111 HG13 0.35 -0.18 -0.59 -0.04 1.21 0.75 2q51A12 ILE 111 HG23 -0.20 0.12 -0.07 -0.04 0.93 0.75 2q51A12 ILE 111 HD13 0.37 0.01 -0.09 -0.04 0.88 1.12 2q51A12 ILE 112 H -0.01 0.32 0.16 -0.55 8.25 8.16 2q51A12 ILE 112 HA -0.01 0.19 0.89 -0.75 4.18 4.49 2q51A12 ILE 112 HB -0.23 -0.04 0.10 -0.04 1.89 1.68 2q51A12 ILE 112 HG12 -0.49 0.01 -0.14 -0.04 1.49 0.83 2q51A12 ILE 112 HG13 -0.05 0.02 -0.43 -0.04 1.21 0.71 2q51A12 ILE 112 HG23 -1.02 -0.04 -0.28 -0.04 0.93 -0.45 2q51A12 ILE 112 HD13 -0.16 0.00 -0.22 -0.04 0.88 0.46 2q51A12 PHE 113 H 0.24 0.68 0.27 -0.55 8.34 8.97 2q51A12 PHE 113 HA -0.02 0.48 1.11 -0.75 4.62 5.43 2q51A12 PHE 113 HB2 0.02 -0.06 0.23 -0.04 3.15 3.29 2q51A12 PHE 113 HB3 0.02 -0.00 0.00 -0.04 3.06 3.04 2q51A12 PHE 113 HD2 0.01 -0.06 -0.23 -0.04 7.28 6.96 2q51A12 PHE 113 HE2 0.07 0.01 -0.11 -0.04 7.38 7.31 2q51A12 PHE 113 HZ 0.14 0.02 -0.05 -0.04 7.32 7.39 2q51A12 ASP 114 H 0.06 0.30 0.23 -0.55 8.40 8.44 2q51A12 ASP 114 HA 0.09 0.26 0.99 -0.75 4.63 5.22 2q51A12 ASP 114 HB2 0.08 -0.09 0.10 -0.04 2.71 2.76 2q51A12 ASP 114 HB3 0.17 -0.05 0.12 -0.04 2.70 2.90 2q51A12 LEU 115 H 0.03 0.55 0.40 -0.55 8.37 8.81 2q51A12 LEU 115 HA 0.09 0.24 0.86 -0.75 4.35 4.78 2q51A12 LEU 115 HB2 -0.00 -0.19 0.26 -0.04 1.64 1.67 2q51A12 LEU 115 HB3 0.03 -0.02 0.16 -0.04 1.64 1.77 2q51A12 LEU 115 HG 0.07 0.07 0.01 -0.04 1.64 1.76 2q51A12 LEU 115 HD13 0.03 0.01 0.02 -0.04 0.93 0.95 2q51A12 LEU 115 HD23 0.09 0.04 -0.04 -0.04 0.89 0.94 2q51A12 HIS 116 H 0.16 0.84 0.50 -0.55 8.41 9.36 2q51A12 HIS 116 HA 0.10 0.02 0.79 -0.75 4.63 4.78 2q51A12 HIS 116 HB2 0.11 0.18 -0.02 -0.04 3.26 3.50 2q51A12 HIS 116 HB3 0.16 -0.03 0.09 -0.04 3.20 3.38 2q51A12 HIS 116 HD2 0.06 0.17 -0.23 -0.04 6.97 6.92 2q51A12 HIS 116 HE1 -0.68 -0.09 -0.06 -0.04 7.75 6.88 2q51A12 ASN 117 H 0.29 0.16 0.23 -0.55 8.53 8.67 2q51A12 ASN 117 HA 0.12 0.44 0.95 -0.75 4.76 5.52 2q51A12 ASN 117 HB2 0.11 -0.15 0.04 -0.04 2.88 2.85 2q51A12 ASN 117 HB3 0.08 0.07 -0.04 -0.04 2.79 2.86 2q51A12 ASN 117 HD21 0.04 -0.07 -0.02 -0.04 7.03 6.94 2q51A12 ASN 117 HD22 0.07 0.37 0.27 -0.04 7.74 8.41 2q51A12 THR 118 H 0.09 0.55 0.10 -0.55 8.28 8.47 2q51A12 THR 118 HA 0.12 -0.02 0.72 -0.75 4.39 4.46 2q51A12 THR 118 HB 0.23 0.06 -0.22 -0.04 4.32 4.36 2q51A12 THR 118 HG23 0.08 0.09 -0.25 -0.04 1.22 1.11 2q51A12 THR 119 H 0.06 0.05 0.16 -0.55 8.28 8.00 2q51A12 THR 119 HA 0.03 0.07 0.40 -0.75 4.39 4.13 2q51A12 THR 119 HB 0.02 0.07 0.12 -0.04 4.32 4.49 2q51A12 THR 119 HG23 0.02 0.01 0.30 -0.04 1.22 1.52 2q51A12 SER 120 H 0.06 -0.23 -0.94 -0.55 8.46 6.80 2q51A12 SER 120 HA 0.01 0.26 0.49 -0.75 4.49 4.49 2q51A12 SER 120 HB2 0.05 -0.02 -0.17 -0.04 3.95 3.78 2q51A12 SER 120 HB3 -0.02 -0.01 -0.20 -0.04 3.93 3.65 2q51A12 ASN 121 H -0.04 0.11 0.06 -0.55 8.53 8.12 2q51A12 ASN 121 HA 0.00 0.23 0.29 -0.75 4.76 4.53 2q51A12 ASN 121 HB2 -0.03 -0.13 0.20 -0.04 2.88 2.88 2q51A12 ASN 121 HB3 -0.05 0.01 0.22 -0.04 2.79 2.94 2q51A12 ASN 121 HD21 0.02 -0.04 0.02 -0.04 7.03 6.99 2q51A12 ASN 121 HD22 0.02 0.13 -0.14 -0.04 7.74 7.70 2q51A12 GLY 123 HA2 0.06 0.17 0.32 -0.51 4.01 4.05 2q51A12 GLY 123 HA3 0.09 -0.04 0.41 -0.51 4.01 3.96 2q51A12 CYS 124 H 0.05 0.13 0.11 -0.55 8.50 8.24 2q51A12 CYS 124 HA 0.04 0.01 0.54 -0.75 4.58 4.42 2q51A12 CYS 124 HB2 -0.00 0.09 0.18 -0.04 2.97 3.19 2q51A12 CYS 124 HB3 -0.02 0.02 -0.04 -0.04 2.97 2.88 2q51A12 THR 125 H 0.03 0.34 0.35 -0.55 8.28 8.45 2q51A12 THR 125 HA -0.01 0.72 1.03 -0.75 4.39 5.37 2q51A12 THR 125 HB 0.09 0.04 0.07 -0.04 4.32 4.48 2q51A12 THR 125 HG23 0.18 -0.05 -0.22 -0.04 1.22 1.09 2q51A12 LEU 126 H -0.06 0.37 0.49 -0.55 8.37 8.62 2q51A12 LEU 126 HA -0.21 0.25 1.07 -0.75 4.35 4.70 2q51A12 LEU 126 HB2 -0.43 -0.04 0.12 -0.04 1.64 1.25 2q51A12 LEU 126 HB3 -1.37 -0.01 -0.02 -0.04 1.64 0.20 2q51A12 LEU 126 HG -0.35 -0.01 -0.31 -0.04 1.64 0.93 2q51A12 LEU 126 HD13 -0.68 0.03 -0.11 -0.04 0.93 0.13 2q51A12 LEU 126 HD23 -0.71 0.02 -0.03 -0.04 0.89 0.13 2q51A12 ILE 127 H -0.03 1.14 0.40 -0.55 8.25 9.21 2q51A12 ILE 127 HA 0.17 0.27 1.05 -0.75 4.18 4.91 2q51A12 ILE 127 HB 0.08 -0.10 0.21 -0.04 1.89 2.04 2q51A12 ILE 127 HG12 0.14 -0.10 -0.16 -0.04 1.49 1.34 2q51A12 ILE 127 HG13 0.26 0.04 -0.13 -0.04 1.21 1.34 2q51A12 ILE 127 HG23 0.11 -0.02 -0.13 -0.04 0.93 0.84 2q51A12 ILE 127 HD13 0.12 -0.02 -0.49 -0.04 0.88 0.45 2q51A12 LEU 128 H 0.16 0.67 0.24 -0.55 8.37 8.90 2q51A12 LEU 128 HA 0.10 0.13 0.64 -0.75 4.35 4.46 2q51A12 LEU 128 HB2 0.38 0.04 -0.03 -0.04 1.64 1.99 2q51A12 LEU 128 HB3 0.09 0.09 0.14 -0.04 1.64 1.92 2q51A12 LEU 128 HG -0.08 -0.07 -0.18 -0.04 1.64 1.27 2q51A12 LEU 128 HD13 -0.28 0.01 -0.03 -0.04 0.93 0.58 2q51A12 LEU 128 HD23 -0.06 0.01 -0.08 -0.04 0.89 0.72 2q51A12 GLU 129 H -0.12 0.28 0.12 -0.55 8.60 8.33 2q51A12 GLU 129 HA -0.20 0.12 0.87 -0.75 4.29 4.33 2q51A12 GLU 129 HB2 -1.54 -0.02 0.15 -0.04 2.09 0.64 2q51A12 GLU 129 HB3 -0.19 -0.08 -0.03 -0.04 1.99 1.65 2q51A12 GLU 129 HG2 -0.16 0.01 -0.04 -0.04 2.34 2.11 2q51A12 GLU 129 HG3 -0.35 0.10 -0.04 -0.04 2.34 2.01 2q51A12 ASP 130 H -0.15 0.11 -0.29 -0.55 8.40 7.52 2q51A12 ASP 130 HA -0.12 0.18 0.97 -0.75 4.63 4.90 2q51A12 ASP 130 HB2 -0.12 0.01 -0.07 -0.04 2.71 2.49 2q51A12 ASP 130 HB3 -0.08 -0.05 -0.09 -0.04 2.70 2.43 2q51A12 SER 131 H 0.01 0.13 0.03 -0.55 8.46 8.09 2q51A12 SER 131 HA -0.03 0.12 0.43 -0.75 4.49 4.26 2q51A12 SER 131 HB2 0.03 -0.10 0.19 -0.04 3.95 4.03 2q51A12 SER 131 HB3 0.00 0.02 -0.00 -0.04 3.93 3.92 2q51A12 ARG 132 H 0.01 0.10 0.06 -0.55 8.46 8.08 2q51A12 ARG 132 HA -0.01 0.09 0.54 -0.75 4.34 4.21 2q51A12 ARG 132 HB2 0.01 0.00 0.21 -0.04 1.90 2.09 2q51A12 ARG 132 HB3 0.01 0.03 0.09 -0.04 1.80 1.89 2q51A12 ARG 132 HG2 0.00 0.04 0.02 -0.04 1.67 1.69 2q51A12 ARG 132 HG3 0.01 -0.07 0.10 -0.04 1.67 1.67 2q51A12 ARG 132 HD2 0.02 0.01 0.05 -0.04 3.22 3.26 2q51A12 ARG 132 HD3 0.01 0.01 0.03 -0.04 3.22 3.23 2q51A12 ASN 133 H -0.03 0.36 0.27 -0.55 8.53 8.59 2q51A12 ASN 133 HA 0.01 0.12 0.57 -0.75 4.76 4.71 2q51A12 ASN 133 HB2 -0.04 -0.01 -0.54 -0.04 2.88 2.25 2q51A12 ASN 133 HB3 -0.08 0.12 -0.15 -0.04 2.79 2.64 2q51A12 ASN 133 HD21 0.10 0.11 0.05 -0.04 7.03 7.24 2q51A12 ASN 133 HD22 -0.01 0.04 -0.01 -0.04 7.74 7.72 2q51A12 ASN 134 H 0.01 0.10 0.07 -0.55 8.53 8.16 2q51A12 ASN 134 HA -0.05 0.23 0.85 -0.75 4.76 5.03 2q51A12 ASN 134 HB2 0.03 0.01 -0.13 -0.04 2.88 2.75 2q51A12 ASN 134 HB3 0.04 -0.11 0.19 -0.04 2.79 2.87 2q51A12 ASN 134 HD21 -0.00 -0.18 0.14 -0.04 7.03 6.95 2q51A12 ASN 134 HD22 -0.00 0.14 0.08 -0.04 7.74 7.92 2q51A12 PHE 135 H 0.07 0.20 0.14 -0.55 8.34 8.20 2q51A12 PHE 135 HA -0.27 0.06 0.24 -0.75 4.62 3.89 2q51A12 PHE 135 HB2 -0.41 0.00 0.13 -0.04 3.15 2.83 2q51A12 PHE 135 HB3 -0.72 0.04 0.00 -0.04 3.06 2.33 2q51A12 PHE 135 HD2 -0.57 -0.05 -0.06 -0.04 7.28 6.57 2q51A12 PHE 135 HE2 -0.94 -0.02 -0.06 -0.04 7.38 6.32 2q51A12 PHE 135 HZ -0.62 0.03 -0.04 -0.04 7.32 6.65 2q51A12 LEU 136 H -0.25 -0.10 -0.60 -0.55 8.37 6.88 2q51A12 LEU 136 HA -0.68 0.22 0.71 -0.75 4.35 3.85 2q51A12 LEU 136 HB2 -0.44 -0.08 0.01 -0.04 1.64 1.09 2q51A12 LEU 136 HB3 -1.17 0.04 -0.01 -0.04 1.64 0.46 2q51A12 LEU 136 HG -0.13 -0.12 -0.20 -0.04 1.64 1.15 2q51A12 LEU 136 HD13 -0.06 -0.01 -0.00 -0.04 0.93 0.82 2q51A12 LEU 136 HD23 -0.20 0.04 -0.13 -0.04 0.89 0.55 2q51A12 ILE 137 H -0.32 0.25 0.04 -0.55 8.25 7.67 2q51A12 ILE 137 HA -0.27 0.02 0.25 -0.75 4.18 3.42 2q51A12 ILE 137 HB -0.14 0.01 -0.03 -0.04 1.89 1.69 2q51A12 ILE 137 HG12 -0.14 -0.00 -0.08 -0.04 1.49 1.23 2q51A12 ILE 137 HG13 -0.21 -0.16 -0.02 -0.04 1.21 0.77 2q51A12 ILE 137 HG23 -0.07 -0.02 -0.31 -0.04 0.93 0.50 2q51A12 ILE 137 HD13 -0.08 -0.02 -0.15 -0.04 0.88 0.59 2q51A12 GLN 138 H -0.28 0.23 -0.37 -0.55 8.47 7.50 2q51A12 GLN 138 HA -0.17 0.04 0.16 -0.75 4.36 3.62 2q51A12 GLN 138 HB2 -0.38 0.04 -0.12 -0.04 2.15 1.65 2q51A12 GLN 138 HB3 -0.41 0.02 -0.03 -0.04 2.02 1.55 2q51A12 GLN 138 HG2 -0.14 -0.04 -0.19 -0.04 2.40 1.99 2q51A12 GLN 138 HG3 -0.13 -0.03 -0.17 -0.04 2.39 2.01 2q51A12 GLN 138 HE21 0.09 0.07 0.01 -0.04 6.97 7.10 2q51A12 GLN 138 HE22 -0.01 0.05 -0.07 -0.04 7.69 7.62 2q51A12 PHE 140 HA -0.16 -0.11 0.32 -0.75 4.62 3.91 2q51A12 PHE 140 HB2 -0.11 0.04 0.02 -0.04 3.15 3.06 2q51A12 PHE 140 HB3 -0.10 -0.06 -0.09 -0.04 3.06 2.77 2q51A12 PHE 140 HD2 -0.18 -0.02 0.01 -0.04 7.28 7.05 2q51A12 PHE 140 HE2 -0.17 -0.03 -0.12 -0.04 7.38 7.02 2q51A12 PHE 140 HZ -0.14 0.02 -0.09 -0.04 7.32 7.07 2q51A12 HIS 141 H 0.11 0.76 -0.34 -0.55 8.41 8.40 2q51A12 HIS 141 HA -0.02 -0.03 0.38 -0.75 4.63 4.21 2q51A12 HIS 141 HB2 -0.03 -0.01 -0.04 -0.04 3.26 3.14 2q51A12 HIS 141 HB3 -0.01 0.07 0.03 -0.04 3.20 3.24 2q51A12 HIS 141 HD2 -0.02 -0.10 0.04 -0.04 6.97 6.85 2q51A12 HIS 141 HE1 0.02 -0.03 0.01 -0.04 7.75 7.70 2q51A12 TYR 142 H 0.17 0.50 -0.01 -0.55 8.29 8.40 2q51A12 TYR 142 HA 0.13 0.00 0.44 -0.75 4.56 4.38 2q51A12 TYR 142 HB2 0.07 0.12 0.12 -0.04 3.06 3.32 2q51A12 TYR 142 HB3 -0.03 -0.04 0.09 -0.04 2.98 2.96 2q51A12 TYR 142 HD2 0.24 0.03 -0.07 -0.04 7.15 7.31 2q51A12 TYR 142 HE2 0.32 -0.06 -0.08 -0.04 6.85 6.99 2q51A12 ILE 143 H 0.10 0.17 -0.01 -0.55 8.25 7.95 2q51A12 ILE 143 HA -0.05 -0.05 0.29 -0.75 4.18 3.62 2q51A12 ILE 143 HB -0.06 0.02 -0.02 -0.04 1.89 1.79 2q51A12 ILE 143 HG12 0.03 0.08 0.11 -0.04 1.49 1.66 2q51A12 ILE 143 HG13 -0.11 -0.06 0.08 -0.04 1.21 1.08 2q51A12 ILE 143 HG23 0.08 0.03 0.07 -0.04 0.93 1.06 2q51A12 ILE 143 HD13 -0.09 -0.02 0.03 -0.04 0.88 0.76 2q51A12 LYS 144 H -0.04 0.41 -0.63 -0.55 8.42 7.60 2q51A12 LYS 144 HA -0.11 0.07 0.52 -0.75 4.32 4.05 2q51A12 LYS 144 HB2 -0.09 0.14 0.04 -0.04 1.87 1.92 2q51A12 LYS 144 HB3 -0.11 -0.05 0.10 -0.04 1.79 1.69 2q51A12 LYS 144 HG2 -0.16 -0.04 -0.08 -0.04 1.46 1.14 2q51A12 LYS 144 HG3 -0.16 0.04 0.02 -0.04 1.46 1.32 2q51A12 LYS 144 HD2 -0.24 0.20 0.10 -0.04 1.69 1.70 2q51A12 LYS 144 HD3 -0.16 -0.06 -0.01 -0.04 1.68 1.41 2q51A12 LYS 144 HE2 -0.23 -0.12 -0.00 -0.04 2.99 2.59 2q51A12 LYS 144 HE3 -0.20 0.05 -0.14 -0.04 2.99 2.66 2q51A12 THR 145 H -0.07 0.54 0.13 -0.55 8.28 8.33 2q51A12 THR 145 HA -0.12 -0.05 0.36 -0.75 4.39 3.82 2q51A12 THR 145 HB -0.03 -0.07 -0.02 -0.04 4.32 4.17 2q51A12 THR 145 HG23 -0.14 -0.01 0.13 -0.04 1.22 1.16 2q51A12 SER 146 H -0.19 0.30 -0.16 -0.55 8.46 7.87 2q51A12 SER 146 HA -0.16 -0.06 0.39 -0.75 4.49 3.90 2q51A12 SER 146 HB2 -0.38 -0.10 0.10 -0.04 3.95 3.53 2q51A12 SER 146 HB3 -0.44 -0.10 0.06 -0.04 3.93 3.41 2q51A12 LEU 147 H -0.17 0.17 0.00 -0.55 8.37 7.83 2q51A12 LEU 147 HA -0.06 -0.06 0.46 -0.75 4.35 3.93 2q51A12 LEU 147 HB2 -0.05 0.16 -0.05 -0.04 1.64 1.66 2q51A12 LEU 147 HB3 -0.02 -0.13 0.10 -0.04 1.64 1.55 2q51A12 LEU 147 HG -0.05 -0.06 0.10 -0.04 1.64 1.59 2q51A12 LEU 147 HD13 0.03 0.09 0.07 -0.04 0.93 1.08 2q51A12 LEU 147 HD23 0.09 -0.04 0.06 -0.04 0.89 0.96 2q51A12 ALA 148 H -0.10 0.42 -0.24 -0.55 8.40 7.93 2q51A12 ALA 148 HA -0.08 0.10 0.23 -0.75 4.34 3.84 2q51A12 ALA 148 HB3 -0.11 0.05 0.02 -0.04 1.41 1.33 2q51A12 PRO 149 HA -0.06 -0.02 0.30 -0.51 4.44 4.15 2q51A12 PRO 149 HB2 -0.02 -0.03 -0.06 -0.04 2.28 2.12 2q51A12 PRO 149 HB3 -0.03 -0.06 0.11 -0.04 2.02 2.00 2q51A12 PRO 149 HG2 -0.03 0.06 0.05 -0.04 2.03 2.08 2q51A12 PRO 149 HG3 -0.02 -0.08 0.07 -0.04 2.03 1.96 2q51A12 PRO 149 HD2 -0.04 0.35 0.03 -0.04 3.68 3.99 2q51A12 PRO 149 HD3 -0.03 -0.07 0.35 -0.04 3.65 3.86 2q51A12 LEU 150 H -0.04 0.49 0.22 -0.55 8.37 8.49 2q51A12 LEU 150 HA -0.02 -0.06 0.47 -0.75 4.35 3.98 2q51A12 LEU 150 HB2 -0.02 -0.05 0.14 -0.04 1.64 1.67 2q51A12 LEU 150 HB3 -0.03 0.03 -0.05 -0.04 1.64 1.55 2q51A12 LEU 150 HG -0.01 0.25 0.01 -0.04 1.64 1.84 2q51A12 LEU 150 HD13 0.00 -0.03 0.14 -0.04 0.93 1.00 2q51A12 LEU 150 HD23 0.00 -0.03 0.05 -0.04 0.89 0.87 2q51A12 PRO 151 HA -0.19 0.03 0.38 -0.51 4.44 4.14 2q51A12 PRO 151 HB2 0.10 -0.02 0.00 -0.04 2.28 2.32 2q51A12 PRO 151 HB3 -0.01 -0.03 0.12 -0.04 2.02 2.06 2q51A12 PRO 151 HG2 0.07 -0.02 0.12 -0.04 2.03 2.16 2q51A12 PRO 151 HG3 0.01 0.05 0.16 -0.04 2.03 2.22 2q51A12 PRO 151 HD2 0.01 0.03 0.23 -0.04 3.68 3.91 2q51A12 PRO 151 HD3 -0.01 0.06 0.31 -0.04 3.65 3.98 2q51A12 CYS 152 H -0.42 0.06 -0.16 -0.55 8.50 7.43 2q51A12 CYS 152 HA -0.07 0.12 0.46 -0.75 4.58 4.34 2q51A12 CYS 152 HB2 -0.11 0.28 -0.35 -0.04 2.97 2.75 2q51A12 CYS 152 HB3 -0.16 -0.09 0.05 -0.04 2.97 2.72 2q51A12 TYR 153 H 0.00 0.53 0.24 -0.55 8.29 8.51 2q51A12 TYR 153 HA -0.36 0.07 0.61 -0.75 4.56 4.13 2q51A12 TYR 153 HB2 -0.85 0.07 0.01 -0.04 3.06 2.25 2q51A12 TYR 153 HB3 -1.51 -0.04 -0.09 -0.04 2.98 1.30 2q51A12 TYR 153 HD2 -0.74 0.04 -0.05 -0.04 7.15 6.36 2q51A12 TYR 153 HE2 -0.22 0.01 -0.04 -0.04 6.85 6.55 2q51A12 VAL 154 H -0.11 0.23 0.22 -0.55 8.24 8.03 2q51A12 VAL 154 HA -0.00 -0.07 1.06 -0.75 4.13 4.36 2q51A12 VAL 154 HB 0.03 0.06 0.21 -0.04 2.12 2.38 2q51A12 VAL 154 HG13 0.24 -0.01 -0.12 -0.04 0.97 1.04 2q51A12 VAL 154 HG23 -0.02 0.03 -0.09 -0.04 0.95 0.83 2q51A12 TYR 155 H 0.24 0.55 0.30 -0.55 8.29 8.82 2q51A12 TYR 155 HA 0.30 0.11 0.88 -0.75 4.56 5.10 2q51A12 TYR 155 HB2 0.32 -0.02 -0.06 -0.04 3.06 3.25 2q51A12 TYR 155 HB3 0.14 -0.02 0.04 -0.04 2.98 3.10 2q51A12 TYR 155 HD2 0.31 -0.02 -0.13 -0.04 7.15 7.26 2q51A12 TYR 155 HE2 0.16 -0.05 -0.23 -0.04 6.85 6.69 2q51A12 LEU 156 H -0.29 0.53 0.26 -0.55 8.37 8.32 2q51A12 LEU 156 HA -0.11 0.42 1.02 -0.75 4.35 4.93 2q51A12 LEU 156 HB2 -0.06 0.01 -0.07 -0.04 1.64 1.47 2q51A12 LEU 156 HB3 -0.12 -0.03 0.03 -0.04 1.64 1.48 2q51A12 LEU 156 HG -0.08 -0.05 -0.60 -0.04 1.64 0.86 2q51A12 LEU 156 HD13 -0.06 0.08 -0.29 -0.04 0.93 0.61 2q51A12 LEU 156 HD23 -0.05 -0.03 -0.17 -0.04 0.89 0.60 2q51A12 ILE 157 H -0.10 0.36 0.10 -0.55 8.25 8.06 2q51A12 ILE 157 HA -0.15 0.03 0.57 -0.75 4.18 3.87 2q51A12 ILE 157 HB 0.12 0.01 0.10 -0.04 1.89 2.08 2q51A12 ILE 157 HG12 0.25 -0.01 -0.09 -0.04 1.49 1.60 2q51A12 ILE 157 HG13 0.10 0.05 -0.12 -0.04 1.21 1.21 2q51A12 ILE 157 HG23 -0.12 -0.02 -0.22 -0.04 0.93 0.54 2q51A12 ILE 157 HD13 0.20 -0.02 -0.10 -0.04 0.88 0.93 2q51A12 GLU 158 H -0.05 0.10 0.12 -0.55 8.60 8.23 2q51A12 GLU 158 HA 0.03 0.24 0.81 -0.75 4.29 4.61 2q51A12 GLU 158 HB2 -0.01 0.04 -0.04 -0.04 2.09 2.04 2q51A12 GLU 158 HB3 0.03 -0.00 0.13 -0.04 1.99 2.11 2q51A12 GLU 158 HG2 0.05 -0.01 -0.33 -0.04 2.34 2.02 2q51A12 GLU 158 HG3 0.02 0.01 -0.12 -0.04 2.34 2.21 2q51A12 HIS 159 H 0.20 0.24 0.10 -0.55 8.41 8.40 2q51A12 HIS 159 HA -0.04 0.42 1.47 -0.75 4.63 5.73 2q51A12 HIS 159 HB2 -0.27 0.15 0.05 -0.04 3.26 3.15 2q51A12 HIS 159 HB3 -0.23 -0.44 -0.03 -0.04 3.20 2.46 2q51A12 HIS 159 HD2 -0.09 0.27 -0.06 -0.04 6.97 7.04 2q51A12 HIS 159 HE1 -0.26 -0.06 -0.15 -0.04 7.75 7.23 2q51A12 PRO 160 HA 0.04 0.09 0.40 -0.51 4.44 4.47 2q51A12 PRO 160 HB2 -0.00 -0.09 0.17 -0.04 2.28 2.32 2q51A12 PRO 160 HB3 0.02 0.06 0.10 -0.04 2.02 2.16 2q51A12 PRO 160 HG2 0.01 0.01 0.13 -0.04 2.03 2.14 2q51A12 PRO 160 HG3 0.03 0.08 0.08 -0.04 2.03 2.18 2q51A12 PRO 160 HD2 0.11 0.24 0.28 -0.04 3.68 4.27 2q51A12 PRO 160 HD3 0.07 0.14 -0.07 -0.04 3.65 3.75 2q51A12 SER 161 H -0.03 0.09 -0.01 -0.55 8.46 7.95 2q51A12 SER 161 HA -0.00 0.10 0.39 -0.75 4.49 4.22 2q51A12 SER 161 HB2 -0.04 0.05 0.06 -0.04 3.95 3.97 2q51A12 SER 161 HB3 -0.05 -0.00 0.10 -0.04 3.93 3.94 2q51A12 LEU 162 H -0.01 -0.13 -0.60 -0.55 8.37 7.07 2q51A12 LEU 162 HA 0.19 -0.01 0.25 -0.75 4.35 4.03 2q51A12 LEU 162 HB2 0.11 0.08 0.37 -0.04 1.64 2.16 2q51A12 LEU 162 HB3 0.24 -0.06 0.20 -0.04 1.64 1.98 2q51A12 LEU 162 HG 0.06 -0.22 -1.38 -0.04 1.64 0.07 2q51A12 LEU 162 HD13 0.06 -0.04 0.03 -0.04 0.93 0.95 2q51A12 LEU 162 HD23 0.13 0.18 0.11 -0.04 0.89 1.26 2q51A12 LYS 163 H -0.28 -0.02 -0.18 -0.55 8.42 7.39 2q51A12 LYS 163 HA 0.03 0.29 0.84 -0.75 4.32 4.74 2q51A12 LYS 163 HB2 -0.17 -0.08 0.04 -0.04 1.87 1.61 2q51A12 LYS 163 HB3 -0.08 -0.03 0.04 -0.04 1.79 1.69 2q51A12 LYS 163 HG2 -0.04 -0.04 -0.09 -0.04 1.46 1.25 2q51A12 LYS 163 HG3 -0.00 0.01 -0.08 -0.04 1.46 1.35 2q51A12 LYS 163 HD2 0.02 0.02 -1.33 -0.04 1.69 0.35 2q51A12 LYS 163 HD3 -0.02 -0.03 -0.49 -0.04 1.68 1.10 2q51A12 LYS 163 HE2 0.01 -0.06 -0.05 -0.04 2.99 2.84 2q51A12 LYS 163 HE3 0.02 -0.06 -0.07 -0.04 2.99 2.84 2q51A12 TYR 164 H 0.29 0.37 -0.02 -0.55 8.29 8.38 2q51A12 TYR 164 HA 0.25 0.01 0.43 -0.75 4.56 4.49 2q51A12 TYR 164 HB2 0.10 0.11 0.09 -0.04 3.06 3.31 2q51A12 TYR 164 HB3 0.11 -0.13 -0.01 -0.04 2.98 2.91 2q51A12 TYR 164 HD2 0.06 0.05 -0.01 -0.04 7.15 7.20 2q51A12 TYR 164 HE2 -0.12 0.01 -0.02 -0.04 6.85 6.68 2q51A12 ALA 165 H 0.17 0.13 0.07 -0.55 8.40 8.22 2q51A12 ALA 165 HA 0.17 0.39 0.54 -0.75 4.34 4.69 2q51A12 ALA 165 HB3 0.09 -0.04 -0.23 -0.04 1.41 1.19 2q51A12 THR 166 H 0.21 0.02 -0.41 -0.55 8.28 7.54 2q51A12 THR 166 HA 0.11 0.27 0.37 -0.75 4.39 4.39 2q51A12 THR 166 HB 0.06 -0.19 0.08 -0.04 4.32 4.23 2q51A12 THR 166 HG23 0.16 0.01 -0.03 -0.04 1.22 1.32 2q51A12 THR 167 H -0.03 0.05 0.11 -0.55 8.28 7.86 2q51A12 THR 167 HA -1.01 0.23 0.51 -0.75 4.39 3.36 2q51A12 THR 167 HB 0.02 -0.08 0.10 -0.04 4.32 4.32 2q51A12 THR 167 HG23 -0.18 0.03 -0.09 -0.04 1.22 0.94 2q51A12 ARG 168 H -0.03 0.00 0.04 -0.55 8.46 7.91 2q51A12 ARG 168 HA -0.17 0.12 0.27 -0.75 4.34 3.81 2q51A12 ARG 168 HB2 -0.09 0.10 0.19 -0.04 1.90 2.05 2q51A12 ARG 168 HB3 -0.12 -0.05 -0.01 -0.04 1.80 1.58 2q51A12 ARG 168 HG2 -0.02 0.07 -0.27 -0.04 1.67 1.41 2q51A12 ARG 168 HG3 0.03 -0.01 -0.06 -0.04 1.67 1.59 2q51A12 ARG 168 HD2 -0.01 -0.30 -0.02 -0.04 3.22 2.85 2q51A12 ARG 168 HD3 0.01 0.13 -0.23 -0.04 3.22 3.08 2q51A12 SER 169 H -0.02 0.07 -1.18 -0.55 8.46 6.79 2q51A12 SER 169 HA 0.00 0.20 0.46 -0.75 4.49 4.39 2q51A12 SER 169 HB2 0.11 0.07 0.03 -0.04 3.95 4.12 2q51A12 SER 169 HB3 0.09 -0.22 -0.16 -0.04 3.93 3.60 2q51A12 ILE 170 H 0.03 0.32 -0.22 -0.55 8.25 7.82 2q51A12 ILE 170 HA 0.12 -0.00 0.44 -0.75 4.18 3.99 2q51A12 ILE 170 HB 0.12 0.01 -0.17 -0.04 1.89 1.81 2q51A12 ILE 170 HG12 0.36 -0.06 0.02 -0.04 1.49 1.77 2q51A12 ILE 170 HG13 0.07 0.23 0.12 -0.04 1.21 1.59 2q51A12 ILE 170 HG23 0.19 0.00 -0.07 -0.04 0.93 1.01 2q51A12 ILE 170 HD13 0.27 -0.02 -0.12 -0.04 0.88 0.96 2q51A12 ALA 171 H 0.01 0.10 -0.70 -0.55 8.40 7.26 2q51A12 ALA 171 HA 0.05 0.33 0.47 -0.75 4.34 4.43 2q51A12 ALA 171 HB3 0.02 0.04 -0.34 -0.04 1.41 1.09 2q51A12 LYS 172 H -0.06 0.36 0.15 -0.55 8.42 8.32 2q51A12 LYS 172 HA -0.26 -0.02 0.44 -0.75 4.32 3.72 2q51A12 LYS 172 HB2 -0.26 0.16 0.21 -0.04 1.87 1.93 2q51A12 LYS 172 HB3 -1.01 -0.08 0.03 -0.04 1.79 0.69 2q51A12 LYS 172 HG2 -0.19 -0.09 0.04 -0.04 1.46 1.18 2q51A12 LYS 172 HG3 -0.10 0.07 0.01 -0.04 1.46 1.40 2q51A12 LYS 172 HD2 -0.02 0.10 0.03 -0.04 1.69 1.76 2q51A12 LYS 172 HD3 -0.08 -0.06 0.02 -0.04 1.68 1.52 2q51A12 LYS 172 HE2 -0.04 -0.09 -0.03 -0.04 2.99 2.79 2q51A12 LYS 172 HE3 -0.01 0.10 -0.05 -0.04 2.99 2.98 2q51A12 TYR 173 H -0.04 0.34 -0.21 -0.55 8.29 7.83 2q51A12 TYR 173 HA -0.03 0.10 0.72 -0.75 4.56 4.60 2q51A12 TYR 173 HB2 0.07 0.04 0.11 -0.04 3.06 3.24 2q51A12 TYR 173 HB3 0.06 -0.04 -0.02 -0.04 2.98 2.94 2q51A12 TYR 173 HD2 0.03 -0.01 -0.06 -0.04 7.15 7.07 2q51A12 TYR 173 HE2 -0.02 -0.07 -0.03 -0.04 6.85 6.69 2q51A12 PRO 174 HA -0.07 0.09 0.64 -0.51 4.44 4.59 2q51A12 PRO 174 HB2 -0.07 -0.12 0.01 -0.04 2.28 2.06 2q51A12 PRO 174 HB3 -0.05 -0.19 -0.35 -0.04 2.02 1.39 2q51A12 PRO 174 HG2 -0.08 -0.06 -0.02 -0.04 2.03 1.83 2q51A12 PRO 174 HG3 -0.04 0.26 0.05 -0.04 2.03 2.26 2q51A12 PRO 174 HD2 -0.05 -0.03 0.08 -0.04 3.68 3.64 2q51A12 PRO 174 HD3 -0.08 0.31 -0.49 -0.04 3.65 3.35 2q51A12 VAL 175 H -0.17 0.61 0.40 -0.55 8.24 8.53 2q51A12 VAL 175 HA -0.01 0.20 0.92 -0.75 4.13 4.48 2q51A12 VAL 175 HB -1.16 0.01 0.12 -0.04 2.12 1.05 2q51A12 VAL 175 HG13 -0.16 -0.02 -0.16 -0.04 0.97 0.59 2q51A12 VAL 175 HG23 -0.40 0.03 -0.21 -0.04 0.95 0.33 2q51A12 GLY 176 H 0.04 0.47 0.20 -0.55 8.43 8.58 2q51A12 GLY 176 HA2 0.10 0.14 1.05 -0.51 4.01 4.79 2q51A12 GLY 176 HA3 0.08 -0.04 0.39 -0.51 4.01 3.93 2q51A12 ILE 177 H 0.14 0.52 0.18 -0.55 8.25 8.54 2q51A12 ILE 177 HA 0.02 0.32 1.08 -0.75 4.18 4.85 2q51A12 ILE 177 HB 0.11 -0.08 0.10 -0.04 1.89 1.97 2q51A12 ILE 177 HG12 0.01 0.12 -0.08 -0.04 1.49 1.50 2q51A12 ILE 177 HG13 0.01 -0.05 -0.33 -0.04 1.21 0.80 2q51A12 ILE 177 HG23 0.05 0.02 -0.17 -0.04 0.93 0.79 2q51A12 ILE 177 HD13 0.21 0.01 -0.14 -0.04 0.88 0.92 2q51A12 GLU 178 H 0.07 0.60 0.13 -0.55 8.60 8.85 2q51A12 GLU 178 HA 0.18 0.04 0.78 -0.75 4.29 4.53 2q51A12 GLU 178 HB2 0.14 -0.07 -0.21 -0.04 2.09 1.91 2q51A12 GLU 178 HB3 0.10 0.06 -0.05 -0.04 1.99 2.06 2q51A12 GLU 178 HG2 0.15 0.06 -0.46 -0.04 2.34 2.05 2q51A12 GLU 178 HG3 0.22 -0.11 -0.33 -0.04 2.34 2.07 2q51A12 VAL 179 H 0.11 0.37 0.10 -0.55 8.24 8.26 2q51A12 VAL 179 HA 0.07 0.51 1.01 -0.75 4.13 4.97 2q51A12 VAL 179 HB 0.05 -0.10 -0.05 -0.04 2.12 1.98 2q51A12 VAL 179 HG13 0.04 0.01 -0.28 -0.04 0.97 0.70 2q51A12 VAL 179 HG23 0.04 -0.01 -0.27 -0.04 0.95 0.68 2q51A12 GLY 180 H 0.06 0.57 0.22 -0.55 8.43 8.73 2q51A12 GLY 180 HA2 0.05 -0.13 0.72 -0.51 4.01 4.14 2q51A12 GLY 180 HA3 0.05 0.40 0.47 -0.51 4.01 4.42 2q51A12 PRO 181 HA 0.03 0.30 0.44 -0.51 4.44 4.70 2q51A12 PRO 181 HB2 0.01 -0.01 -0.13 -0.04 2.28 2.11 2q51A12 PRO 181 HB3 0.01 0.02 -0.51 -0.04 2.02 1.51 2q51A12 PRO 181 HG2 0.01 -0.07 0.10 -0.04 2.03 2.03 2q51A12 PRO 181 HG3 0.01 0.00 0.01 -0.04 2.03 2.01 2q51A12 PRO 181 HD2 0.02 0.04 0.40 -0.04 3.68 4.10 2q51A12 PRO 181 HD3 0.02 0.12 -0.08 -0.04 3.65 3.66 2q51A12 GLN 182 H 0.03 0.27 0.03 -0.55 8.47 8.24 2q51A12 GLN 182 HA 0.00 0.15 0.57 -0.75 4.36 4.33 2q51A12 GLN 182 HB2 0.01 0.10 -0.11 -0.04 2.15 2.11 2q51A12 GLN 182 HB3 0.02 -0.10 -0.02 -0.04 2.02 1.89 2q51A12 GLN 182 HG2 -0.00 0.30 -0.17 -0.04 2.40 2.49 2q51A12 GLN 182 HG3 -0.01 -0.07 0.03 -0.04 2.39 2.29 2q51A12 GLN 182 HE21 0.00 -0.25 0.09 -0.04 6.97 6.77 2q51A12 GLN 182 HE22 0.01 0.05 0.02 -0.04 7.69 7.72 2q51A12 PRO 183 HA 0.00 0.00 0.66 -0.51 4.44 4.60 2q51A12 PRO 183 HB2 -0.02 0.15 0.07 -0.04 2.28 2.44 2q51A12 PRO 183 HB3 -0.01 0.04 0.13 -0.04 2.02 2.13 2q51A12 PRO 183 HG2 -0.02 -0.02 0.02 -0.04 2.03 1.97 2q51A12 PRO 183 HG3 -0.02 0.06 0.05 -0.04 2.03 2.09 2q51A12 PRO 183 HD2 -0.01 0.04 0.18 -0.04 3.68 3.85 2q51A12 PRO 183 HD3 -0.01 0.18 0.09 -0.04 3.65 3.87 2q51A12 GLN 184 H -0.01 0.03 0.23 -0.55 8.47 8.18 2q51A12 GLN 184 HA 0.01 0.21 0.64 -0.75 4.36 4.46 2q51A12 GLN 184 HB2 -0.02 0.01 0.14 -0.04 2.15 2.24 2q51A12 GLN 184 HB3 -0.01 -0.01 0.18 -0.04 2.02 2.14 2q51A12 GLN 184 HG2 0.02 0.02 0.02 -0.04 2.40 2.41 2q51A12 GLN 184 HG3 0.01 -0.07 0.16 -0.04 2.39 2.44 2q51A12 GLN 184 HE21 -0.03 0.02 -0.01 -0.04 6.97 6.90 2q51A12 GLN 184 HE22 0.01 -0.01 0.03 -0.04 7.69 7.68 2q51A12 GLY 185 H -0.01 0.39 0.30 -0.55 8.43 8.57 2q51A12 GLY 185 HA2 -0.02 0.02 0.34 -0.51 4.01 3.84 2q51A12 GLY 185 HA3 -0.02 0.10 0.46 -0.51 4.01 4.03 2q51A12 VAL 186 H -0.02 0.28 -0.34 -0.55 8.24 7.61 2q51A12 VAL 186 HA -0.04 0.20 0.85 -0.75 4.13 4.39 2q51A12 VAL 186 HB -0.02 0.09 -0.03 -0.04 2.12 2.12 2q51A12 VAL 186 HG13 -0.04 -0.02 -0.03 -0.04 0.97 0.84 2q51A12 VAL 186 HG23 -0.02 0.05 -0.18 -0.04 0.95 0.75 2q51A12 LEU 187 H -0.07 0.20 0.03 -0.55 8.37 7.99 2q51A12 LEU 187 HA -0.07 0.09 0.70 -0.75 4.35 4.31 2q51A12 LEU 187 HB2 -0.11 0.02 -0.17 -0.04 1.64 1.33 2q51A12 LEU 187 HB3 -0.20 0.02 0.15 -0.04 1.64 1.56 2q51A12 LEU 187 HG -0.10 -0.08 -0.15 -0.04 1.64 1.27 2q51A12 LEU 187 HD13 -0.54 0.01 -0.05 -0.04 0.93 0.31 2q51A12 LEU 187 HD23 -0.20 0.00 -0.22 -0.04 0.89 0.43 2q51A12 ARG 188 H -0.05 0.16 0.02 -0.55 8.46 8.04 2q51A12 ARG 188 HA -0.06 0.11 0.60 -0.75 4.34 4.23 2q51A12 ARG 188 HB2 -0.02 0.01 0.10 -0.04 1.90 1.94 2q51A12 ARG 188 HB3 -0.03 -0.04 -0.03 -0.04 1.80 1.67 2q51A12 ARG 188 HG2 -0.03 0.03 0.02 -0.04 1.67 1.65 2q51A12 ARG 188 HG3 -0.03 -0.06 0.01 -0.04 1.67 1.55 2q51A12 ARG 188 HD2 -0.01 0.02 0.06 -0.04 3.22 3.25 2q51A12 ARG 188 HD3 -0.01 0.08 0.12 -0.04 3.22 3.37 2q51A12 ALA 189 H -0.06 0.16 0.17 -0.55 8.40 8.12 2q51A12 ALA 189 HA -0.07 0.11 0.25 -0.75 4.34 3.88 2q51A12 ALA 189 HB3 -0.04 0.00 0.10 -0.04 1.41 1.44 2q51A12 ASP 190 H -0.02 0.08 -0.00 -0.55 8.40 7.91 2q51A12 ASP 190 HA 0.00 0.08 0.33 -0.75 4.63 4.30 2q51A12 ASP 190 HB2 0.00 0.12 -0.04 -0.04 2.71 2.75 2q51A12 ASP 190 HB3 -0.00 0.05 0.09 -0.04 2.70 2.79 2q51A12 ILE 191 H -0.01 0.02 -0.37 -0.55 8.25 7.34 2q51A12 ILE 191 HA 0.01 0.09 0.30 -0.75 4.18 3.83 2q51A12 ILE 191 HB -0.01 0.06 0.12 -0.04 1.89 2.02 2q51A12 ILE 191 HG12 -0.00 -0.12 -0.01 -0.04 1.49 1.32 2q51A12 ILE 191 HG13 0.00 -0.06 -0.04 -0.04 1.21 1.07 2q51A12 ILE 191 HG23 0.02 0.01 -0.19 -0.04 0.93 0.73 2q51A12 ILE 191 HD13 0.02 0.07 -0.21 -0.04 0.88 0.72 2q51A12 LEU 192 H -0.01 0.26 -0.01 -0.55 8.37 8.06 2q51A12 LEU 192 HA 0.01 -0.10 0.22 -0.75 4.35 3.74 2q51A12 LEU 192 HB2 -0.02 -0.10 0.05 -0.04 1.64 1.53 2q51A12 LEU 192 HB3 -0.00 0.17 0.08 -0.04 1.64 1.85 2q51A12 LEU 192 HG 0.03 -0.01 0.03 -0.04 1.64 1.65 2q51A12 LEU 192 HD13 0.15 -0.04 -0.09 -0.04 0.93 0.91 2q51A12 LEU 192 HD23 0.05 0.01 -0.27 -0.04 0.89 0.65 2q51A12 ASP 193 H 0.01 0.24 -0.71 -0.55 8.40 7.40 2q51A12 ASP 193 HA 0.04 0.08 0.91 -0.75 4.63 4.90 2q51A12 ASP 193 HB2 0.02 -0.05 0.01 -0.04 2.71 2.65 2q51A12 ASP 193 HB3 0.02 -0.03 -0.02 -0.04 2.70 2.63 2q51A12 GLN 194 H 0.02 1.12 0.49 -0.55 8.47 9.56 2q51A12 GLN 194 HA 0.02 -0.03 0.31 -0.75 4.36 3.90 2q51A12 GLN 194 HB2 0.02 -0.10 0.06 -0.04 2.15 2.08 2q51A12 GLN 194 HB3 0.02 -0.02 0.10 -0.04 2.02 2.07 2q51A12 GLN 194 HG2 0.02 -0.00 0.02 -0.04 2.40 2.40 2q51A12 GLN 194 HG3 0.02 0.04 0.09 -0.04 2.39 2.50 2q51A12 GLN 194 HE21 0.03 0.00 0.05 -0.04 6.97 7.01 2q51A12 GLN 194 HE22 0.02 0.05 0.06 -0.04 7.69 7.77 2q51A12 ARG 196 HA 0.07 -0.08 0.31 -0.75 4.34 3.89 2q51A12 ARG 196 HB2 0.13 -0.13 0.03 -0.04 1.90 1.89 2q51A12 ARG 196 HB3 0.09 -0.01 0.15 -0.04 1.80 1.98 2q51A12 ARG 196 HG2 0.05 0.10 0.33 -0.04 1.67 2.11 2q51A12 ARG 196 HG3 0.05 -0.03 -0.02 -0.04 1.67 1.63 2q51A12 ARG 196 HD2 0.07 -0.06 -0.00 -0.04 3.22 3.18 2q51A12 ARG 196 HD3 0.11 -0.05 -0.02 -0.04 3.22 3.21 2q51A12 LYS 197 H 0.04 0.52 -0.14 -0.55 8.42 8.28 2q51A12 LYS 197 HA 0.01 -0.09 0.23 -0.75 4.32 3.71 2q51A12 LYS 197 HB2 0.05 0.13 0.04 -0.04 1.87 2.05 2q51A12 LYS 197 HB3 0.10 -0.05 0.11 -0.04 1.79 1.91 2q51A12 LYS 197 HG2 0.04 -0.12 0.04 -0.04 1.46 1.37 2q51A12 LYS 197 HG3 0.04 0.35 0.08 -0.04 1.46 1.88 2q51A12 LYS 197 HD2 0.04 0.05 0.04 -0.04 1.69 1.77 2q51A12 LYS 197 HD3 0.05 -0.06 0.03 -0.04 1.68 1.66 2q51A12 LYS 197 HE2 0.02 0.05 -0.09 -0.04 2.99 2.93 2q51A12 LYS 197 HE3 0.02 -0.04 -0.01 -0.04 2.99 2.93 2q51A12 ILE 199 HA 0.06 -0.06 0.13 -0.75 4.18 3.55 2q51A12 ILE 199 HB 0.12 -0.01 0.09 -0.04 1.89 2.05 2q51A12 ILE 199 HG12 0.09 -0.03 -0.00 -0.04 1.49 1.50 2q51A12 ILE 199 HG13 0.09 0.06 0.07 -0.04 1.21 1.39 2q51A12 ILE 199 HG23 0.07 -0.02 -0.20 -0.04 0.93 0.74 2q51A12 ILE 199 HD13 0.15 -0.03 -0.01 -0.04 0.88 0.95 2q51A12 LYS 200 H 0.01 0.53 -0.14 -0.55 8.42 8.26 2q51A12 LYS 200 HA -0.07 -0.01 0.26 -0.75 4.32 3.75 2q51A12 LYS 200 HB2 -0.09 0.05 -0.01 -0.04 1.87 1.77 2q51A12 LYS 200 HB3 -0.34 0.02 0.03 -0.04 1.79 1.46 2q51A12 LYS 200 HG2 -0.28 -0.06 -0.18 -0.04 1.46 0.90 2q51A12 LYS 200 HG3 -0.13 -0.00 -0.02 -0.04 1.46 1.27 2q51A12 LYS 200 HD2 -0.13 -0.04 -0.04 -0.04 1.69 1.44 2q51A12 LYS 200 HD3 -0.13 0.01 -0.04 -0.04 1.68 1.48 2q51A12 LYS 200 HE2 -0.42 -0.04 -0.05 -0.04 2.99 2.44 2q51A12 LYS 200 HE3 -0.15 -0.02 -0.02 -0.04 2.99 2.76 2q51A12 HIS 201 H -0.16 0.39 -0.16 -0.55 8.41 7.93 2q51A12 HIS 201 HA 0.17 -0.09 0.46 -0.75 4.63 4.42 2q51A12 HIS 201 HB2 0.05 0.19 0.27 -0.04 3.26 3.73 2q51A12 HIS 201 HB3 0.13 -0.06 0.14 -0.04 3.20 3.36 2q51A12 HIS 201 HD2 -0.01 0.36 0.13 -0.04 6.97 7.41 2q51A12 HIS 201 HE1 -0.00 -0.04 -0.02 -0.04 7.75 7.64 2q51A12 ALA 202 H 0.17 0.27 0.47 -0.55 8.40 8.76 2q51A12 ALA 202 HA 0.29 -0.03 0.42 -0.75 4.34 4.27 2q51A12 ALA 202 HB3 0.20 0.16 0.01 -0.04 1.41 1.74 2q51A12 LEU 203 H 0.04 0.82 0.33 -0.55 8.37 9.01 2q51A12 LEU 203 HA -0.00 0.17 0.78 -0.75 4.35 4.54 2q51A12 LEU 203 HB2 -0.06 0.05 -0.01 -0.04 1.64 1.58 2q51A12 LEU 203 HB3 -0.05 0.03 0.03 -0.04 1.64 1.60 2q51A12 LEU 203 HG -0.14 -0.02 -0.16 -0.04 1.64 1.28 2q51A12 LEU 203 HD13 -0.13 0.04 -0.04 -0.04 0.93 0.76 2q51A12 LEU 203 HD23 -0.16 0.01 -0.08 -0.04 0.89 0.62 2q51A12 ASP 204 H 0.15 -0.28 0.09 -0.55 8.40 7.81 2q51A12 ASP 204 HA 0.00 0.18 0.68 -0.75 4.63 4.73 2q51A12 ASP 204 HB2 0.14 -0.03 0.07 -0.04 2.71 2.84 2q51A12 ASP 204 HB3 -0.08 -0.02 0.02 -0.04 2.70 2.59 2q51A12 PHE 205 H 0.33 -0.20 -0.07 -0.55 8.34 7.85 2q51A12 PHE 205 HA 0.08 0.07 0.26 -0.75 4.62 4.27 2q51A12 PHE 205 HB2 0.17 0.00 -0.12 -0.04 3.15 3.16 2q51A12 PHE 205 HB3 0.14 0.16 0.08 -0.04 3.06 3.40 2q51A12 PHE 205 HD2 -0.17 -0.01 -0.17 -0.04 7.28 6.89 2q51A12 PHE 205 HE2 -0.94 0.04 -0.08 -0.04 7.38 6.35 2q51A12 PHE 205 HZ -0.86 -0.06 -0.10 -0.04 7.32 6.25 2q51A12 ILE 206 H 0.35 0.33 -0.20 -0.55 8.25 8.18 2q51A12 ILE 206 HA 0.30 0.12 0.41 -0.75 4.18 4.26 2q51A12 ILE 206 HB 0.21 0.02 -0.09 -0.04 1.89 1.99 2q51A12 ILE 206 HG12 0.51 -0.02 -0.03 -0.04 1.49 1.91 2q51A12 ILE 206 HG13 0.42 0.15 0.07 -0.04 1.21 1.81 2q51A12 ILE 206 HG23 0.22 0.02 -0.02 -0.04 0.93 1.12 2q51A12 ILE 206 HD13 0.41 -0.01 -0.06 -0.04 0.88 1.19 2q51A12 HIS 207 H 0.26 -0.07 -0.88 -0.55 8.41 7.17 2q51A12 HIS 207 HA 0.06 0.24 0.24 -0.75 4.63 4.41 2q51A12 HIS 207 HB2 0.05 0.09 -0.08 -0.04 3.26 3.28 2q51A12 HIS 207 HB3 0.06 0.12 0.16 -0.04 3.20 3.50 2q51A12 HIS 207 HD2 0.01 -0.20 -0.10 -0.04 6.97 6.64 2q51A12 HIS 207 HE1 0.17 -0.10 -0.06 -0.04 7.75 7.72 2q51A12 HIS 208 H 0.34 0.70 0.09 -0.55 8.41 8.99 2q51A12 HIS 208 HA 0.23 0.06 0.59 -0.75 4.63 4.75 2q51A12 HIS 208 HB2 0.10 0.10 0.07 -0.04 3.26 3.49 2q51A12 HIS 208 HB3 0.08 -0.00 -0.11 -0.04 3.20 3.12 2q51A12 HIS 208 HD2 0.20 0.02 -0.02 -0.04 6.97 7.12 2q51A12 HIS 208 HE1 0.02 -0.03 0.01 -0.04 7.75 7.70 2q51A12 PHE 209 H 0.22 0.36 -0.70 -0.55 8.34 7.66 2q51A12 PHE 209 HA 0.03 -0.07 0.35 -0.75 4.62 4.17 2q51A12 PHE 209 HB2 -0.28 0.12 0.09 -0.04 3.15 3.03 2q51A12 PHE 209 HB3 -0.02 0.15 0.10 -0.04 3.06 3.25 2q51A12 PHE 209 HD2 0.10 0.04 0.02 -0.04 7.28 7.40 2q51A12 PHE 209 HE2 -0.07 0.01 -0.06 -0.04 7.38 7.22 2q51A12 PHE 209 HZ 0.01 -0.05 -0.22 -0.04 7.32 7.01 2q51A12 ASN 210 H 0.03 -0.20 -1.54 -0.55 8.53 6.28 2q51A12 ASN 210 HA -0.23 0.05 0.75 -0.75 4.76 4.57 2q51A12 ASN 210 HB2 -0.14 0.36 0.19 -0.04 2.88 3.26 2q51A12 ASN 210 HB3 -0.17 -0.18 0.14 -0.04 2.79 2.54 2q51A12 ASN 210 HD21 -0.08 0.06 0.02 -0.04 7.03 6.99 2q51A12 ASN 210 HD22 -0.14 0.14 0.07 -0.04 7.74 7.78 2q51A12 GLU 211 H 0.03 -0.06 0.09 -0.55 8.60 8.11 2q51A12 GLU 211 HA -0.06 0.07 0.67 -0.75 4.29 4.21 2q51A12 GLU 211 HB2 0.21 0.06 0.09 -0.04 2.09 2.41 2q51A12 GLU 211 HB3 -0.13 -0.06 0.21 -0.04 1.99 1.97 2q51A12 GLU 211 HG2 -0.23 0.05 0.23 -0.04 2.34 2.35 2q51A12 GLU 211 HG3 -0.03 -0.03 0.13 -0.04 2.34 2.38 2q51A12 GLY 212 H -0.14 0.06 -0.86 -0.55 8.43 6.94 2q51A12 GLY 212 HA2 -0.15 -0.07 0.30 -0.51 4.01 3.59 2q51A12 GLY 212 HA3 -0.12 -0.02 0.27 -0.51 4.01 3.64 2q51A12 LYS 213 H -0.11 0.09 0.09 -0.55 8.42 7.94 2q51A12 LYS 213 HA -0.17 0.15 0.64 -0.75 4.32 4.19 2q51A12 LYS 213 HB2 -0.13 0.11 -0.25 -0.04 1.87 1.56 2q51A12 LYS 213 HB3 -0.11 -0.01 -0.11 -0.04 1.79 1.52 2q51A12 LYS 213 HG2 -0.56 0.04 -0.03 -0.04 1.46 0.88 2q51A12 LYS 213 HG3 -0.73 -0.77 0.23 -0.04 1.46 0.15 2q51A12 LYS 213 HD2 -0.18 0.05 0.13 -0.04 1.69 1.65 2q51A12 LYS 213 HD3 -0.09 0.00 0.03 -0.04 1.68 1.58 2q51A12 LYS 213 HE2 -0.22 -0.00 0.09 -0.04 2.99 2.82 2q51A12 LYS 213 HE3 -0.09 -0.04 0.04 -0.04 2.99 2.86 2q51A12 GLU 214 H -0.54 0.30 0.15 -0.55 8.60 7.96 2q51A12 GLU 214 HA -0.10 0.08 0.56 -0.75 4.29 4.08 2q51A12 GLU 214 HB2 -0.09 0.09 -0.01 -0.04 2.09 2.04 2q51A12 GLU 214 HB3 -0.15 -0.04 -0.05 -0.04 1.99 1.70 2q51A12 GLU 214 HG2 -0.05 -0.05 -0.09 -0.04 2.34 2.11 2q51A12 GLU 214 HG3 -0.07 0.01 -0.34 -0.04 2.34 1.90 2q51A12 PHE 215 H 0.10 0.44 0.18 -0.55 8.34 8.51 2q51A12 PHE 215 HA -0.00 0.22 1.03 -0.75 4.62 5.12 2q51A12 PHE 215 HB2 -0.01 -0.02 0.13 -0.04 3.15 3.22 2q51A12 PHE 215 HB3 -0.04 0.09 -0.00 -0.04 3.06 3.07 2q51A12 PHE 215 HD2 0.04 0.03 -0.08 -0.04 7.28 7.23 2q51A12 PHE 215 HE2 -0.02 -0.01 -0.10 -0.04 7.38 7.21 2q51A12 PHE 215 HZ -0.38 -0.01 -0.11 -0.04 7.32 6.78 2q51A12 PRO 216 HA 0.04 0.00 0.48 -0.51 4.44 4.45 2q51A12 PRO 216 HB2 0.02 0.08 0.08 -0.04 2.28 2.42 2q51A12 PRO 216 HB3 0.02 -0.06 0.10 -0.04 2.02 2.04 2q51A12 PRO 216 HG2 0.04 0.13 0.05 -0.04 2.03 2.21 2q51A12 PRO 216 HG3 0.02 -0.01 0.06 -0.04 2.03 2.06 2q51A12 PRO 216 HD2 0.08 0.16 0.25 -0.04 3.68 4.13 2q51A12 PRO 216 HD3 -0.00 0.08 -0.00 -0.04 3.65 3.69 2q51A12 PRO 217 HA 0.01 0.13 0.38 -0.51 4.44 4.44 2q51A12 PRO 217 HB2 0.01 -0.01 0.05 -0.04 2.28 2.29 2q51A12 PRO 217 HB3 0.01 0.06 0.15 -0.04 2.02 2.20 2q51A12 PRO 217 HG2 0.01 0.01 0.12 -0.04 2.03 2.14 2q51A12 PRO 217 HG3 0.01 -0.06 0.21 -0.04 2.03 2.15 2q51A12 PRO 217 HD2 0.02 0.09 0.22 -0.04 3.68 3.97 2q51A12 PRO 217 HD3 0.02 0.08 0.24 -0.04 3.65 3.96 2q51A12 CYS 218 H -0.01 0.24 0.26 -0.55 8.50 8.44 2q51A12 CYS 218 HA 0.02 0.10 0.57 -0.75 4.58 4.51 2q51A12 CYS 218 HB2 -0.33 0.03 0.02 -0.04 2.97 2.65 2q51A12 CYS 218 HB3 -0.21 0.20 -0.20 -0.04 2.97 2.72 2q51A12 ALA 219 H 0.24 0.29 0.19 -0.55 8.40 8.57 2q51A12 ALA 219 HA 0.03 0.25 1.06 -0.75 4.34 4.93 2q51A12 ALA 219 HB3 0.01 -0.02 -0.08 -0.04 1.41 1.28 2q51A12 ILE 220 H -0.02 1.14 0.40 -0.55 8.25 9.22 2q51A12 ILE 220 HA -0.10 0.14 0.78 -0.75 4.18 4.24 2q51A12 ILE 220 HB -0.07 0.11 0.10 -0.04 1.89 2.00 2q51A12 ILE 220 HG12 -0.00 -0.02 -0.11 -0.04 1.49 1.32 2q51A12 ILE 220 HG13 -0.04 -0.12 -0.05 -0.04 1.21 0.96 2q51A12 ILE 220 HG23 -0.05 0.01 -0.06 -0.04 0.93 0.78 2q51A12 ILE 220 HD13 0.02 0.01 -0.07 -0.04 0.88 0.79 2q51A12 GLU 221 H -0.13 0.16 0.20 -0.55 8.60 8.28 2q51A12 GLU 221 HA -0.15 0.14 0.83 -0.75 4.29 4.36 2q51A12 GLU 221 HB2 -0.13 0.01 0.13 -0.04 2.09 2.05 2q51A12 GLU 221 HB3 -0.21 0.01 0.03 -0.04 1.99 1.77 2q51A12 GLU 221 HG2 -0.14 -0.06 -0.12 -0.04 2.34 1.98 2q51A12 GLU 221 HG3 -0.10 -0.01 -0.11 -0.04 2.34 2.08 2q51A12 VAL 222 H -0.31 0.46 0.50 -0.55 8.24 8.34 2q51A12 VAL 222 HA -0.11 0.19 0.69 -0.75 4.13 4.15 2q51A12 VAL 222 HB -0.02 -0.02 0.14 -0.04 2.12 2.18 2q51A12 VAL 222 HG13 -0.05 -0.00 -0.30 -0.04 0.97 0.58 2q51A12 VAL 222 HG23 -0.10 0.02 -0.13 -0.04 0.95 0.70 2q51A12 TYR 223 H 0.20 0.34 0.31 -0.55 8.29 8.59 2q51A12 TYR 223 HA 0.11 0.25 0.78 -0.75 4.56 4.95 2q51A12 TYR 223 HB2 0.92 -0.02 -0.01 -0.04 3.06 3.90 2q51A12 TYR 223 HB3 0.43 -0.01 -0.12 -0.04 2.98 3.24 2q51A12 TYR 223 HD2 0.05 0.03 -0.22 -0.04 7.15 6.96 2q51A12 TYR 223 HE2 -0.23 0.01 -0.11 -0.04 6.85 6.48 2q51A12 LYS 224 H 0.19 0.23 0.22 -0.55 8.42 8.50 2q51A12 LYS 224 HA -0.04 0.17 0.86 -0.75 4.32 4.55 2q51A12 LYS 224 HB2 -0.05 0.09 -0.16 -0.04 1.87 1.71 2q51A12 LYS 224 HB3 0.02 0.02 0.01 -0.04 1.79 1.80 2q51A12 LYS 224 HG2 0.04 0.03 -0.29 -0.04 1.46 1.20 2q51A12 LYS 224 HG3 -0.02 -0.04 0.06 -0.04 1.46 1.42 2q51A12 LYS 224 HD2 0.01 -0.03 -0.08 -0.04 1.69 1.55 2q51A12 LYS 224 HD3 -0.02 0.01 -0.12 -0.04 1.68 1.51 2q51A12 LYS 224 HE2 0.00 0.03 -0.08 -0.04 2.99 2.89 2q51A12 LYS 224 HE3 0.02 0.00 -0.10 -0.04 2.99 2.87 2q51A12 ILE 225 H 0.12 0.12 0.15 -0.55 8.25 8.09 2q51A12 ILE 225 HA 0.15 0.58 0.70 -0.75 4.18 4.86 2q51A12 ILE 225 HB 0.24 -0.02 0.06 -0.04 1.89 2.13 2q51A12 ILE 225 HG12 0.07 -0.01 -0.19 -0.04 1.49 1.32 2q51A12 ILE 225 HG13 0.07 0.03 -0.15 -0.04 1.21 1.11 2q51A12 ILE 225 HG23 0.13 -0.00 0.16 -0.04 0.93 1.18 2q51A12 ILE 225 HD13 0.08 -0.02 -0.05 -0.04 0.88 0.86 2q51A12 ILE 226 H 0.10 0.45 0.35 -0.55 8.25 8.60 2q51A12 ILE 226 HA 0.06 0.07 0.54 -0.75 4.18 4.09 2q51A12 ILE 226 HB 0.06 -0.02 0.09 -0.04 1.89 1.98 2q51A12 ILE 226 HG12 0.07 0.01 -0.20 -0.04 1.49 1.32 2q51A12 ILE 226 HG13 0.05 0.01 -0.35 -0.04 1.21 0.89 2q51A12 ILE 226 HG23 0.11 0.03 0.04 -0.04 0.93 1.06 2q51A12 ILE 226 HD13 0.11 -0.01 -0.22 -0.04 0.88 0.72 2q51A12 GLU 227 H 0.04 0.14 -0.18 -0.55 8.60 8.04 2q51A12 GLU 227 HA -0.00 0.01 0.33 -0.75 4.29 3.87 2q51A12 GLU 227 HB2 0.01 0.20 0.19 -0.04 2.09 2.44 2q51A12 GLU 227 HB3 -0.00 -0.07 -0.16 -0.04 1.99 1.72 2q51A12 GLU 227 HG2 -0.07 0.10 -0.52 -0.04 2.34 1.81 2q51A12 GLU 227 HG3 -0.03 -0.05 0.04 -0.04 2.34 2.26 2q51A12 LYS 228 H -0.04 0.14 0.14 -0.55 8.42 8.10 2q51A12 LYS 228 HA -0.15 0.06 0.74 -0.75 4.32 4.21 2q51A12 LYS 228 HB2 -0.03 -0.05 0.14 -0.04 1.87 1.89 2q51A12 LYS 228 HB3 -0.07 0.05 0.08 -0.04 1.79 1.80 2q51A12 LYS 228 HG2 -0.10 0.04 0.11 -0.04 1.46 1.46 2q51A12 LYS 228 HG3 -0.02 -0.06 0.07 -0.04 1.46 1.41 2q51A12 LYS 228 HD2 -0.01 -0.07 -0.00 -0.04 1.69 1.56 2q51A12 LYS 228 HD3 -0.05 0.09 -0.03 -0.04 1.68 1.65 2q51A12 LYS 228 HE2 -0.02 0.06 -0.10 -0.04 2.99 2.89 2q51A12 LYS 228 HE3 0.00 -0.11 -0.04 -0.04 2.99 2.81 2q51A12 VAL 229 H -0.51 0.36 0.24 -0.55 8.24 7.79 2q51A12 VAL 229 HA -0.18 0.20 0.98 -0.75 4.13 4.37 2q51A12 VAL 229 HB -1.81 -0.06 -0.01 -0.04 2.12 0.20 2q51A12 VAL 229 HG13 0.24 0.01 -0.21 -0.04 0.97 0.96 2q51A12 VAL 229 HG23 -0.18 0.02 -0.31 -0.04 0.95 0.44 2q51A12 ASP 230 H -0.09 0.24 0.13 -0.55 8.40 8.13 2q51A12 ASP 230 HA -0.36 -0.22 0.82 -0.75 4.63 4.12 2q51A12 ASP 230 HB2 -0.13 0.34 -0.09 -0.04 2.71 2.80 2q51A12 ASP 230 HB3 -0.08 0.09 0.01 -0.04 2.70 2.67 2q51A12 TYR 231 H -0.71 0.02 0.07 -0.55 8.29 7.12 2q51A12 TYR 231 HA -1.18 0.11 0.35 -0.75 4.56 3.09 2q51A12 TYR 231 HB2 -0.25 -0.06 0.02 -0.04 3.06 2.73 2q51A12 TYR 231 HB3 -0.43 0.25 0.27 -0.04 2.98 3.03 2q51A12 TYR 231 HD2 -0.42 0.05 -0.02 -0.04 7.15 6.72 2q51A12 TYR 231 HE2 -0.71 -0.03 0.04 -0.04 6.85 6.10 2q51A12 PRO 232 HA 0.06 0.12 0.52 -0.51 4.44 4.63 2q51A12 PRO 232 HB2 0.02 -0.17 0.03 -0.04 2.28 2.11 2q51A12 PRO 232 HB3 0.09 0.08 0.06 -0.04 2.02 2.20 2q51A12 PRO 232 HG2 0.21 0.02 -0.02 -0.04 2.03 2.20 2q51A12 PRO 232 HG3 0.34 0.15 -0.02 -0.04 2.03 2.45 2q51A12 PRO 232 HD2 -0.25 0.00 0.29 -0.04 3.68 3.68 2q51A12 PRO 232 HD3 -1.19 0.21 0.16 -0.04 3.65 2.78 2q51A12 ARG 233 H 0.03 0.14 0.13 -0.55 8.46 8.21 2q51A12 ARG 233 HA 0.01 0.41 0.74 -0.75 4.34 4.74 2q51A12 ARG 233 HB2 0.01 -0.01 -0.01 -0.04 1.90 1.86 2q51A12 ARG 233 HB3 0.01 -0.11 -0.09 -0.04 1.80 1.57 2q51A12 ARG 233 HG2 0.01 -0.00 -0.61 -0.04 1.67 1.03 2q51A12 ARG 233 HG3 0.01 0.01 -0.14 -0.04 1.67 1.51 2q51A12 ARG 233 HD2 0.01 0.08 -0.06 -0.04 3.22 3.21 2q51A12 ARG 233 HD3 0.02 -0.08 -0.53 -0.04 3.22 2.59 2q51A12 ASP 234 H 0.01 -0.06 0.08 -0.55 8.40 7.88 2q51A12 ASP 234 HA 0.01 0.29 0.87 -0.75 4.63 5.05 2q51A12 ASP 234 HB2 0.01 -0.07 0.19 -0.04 2.71 2.79 2q51A12 ASP 234 HB3 0.00 0.16 -0.08 -0.04 2.70 2.74 2q51A12 GLU 235 H 0.01 0.16 0.13 -0.55 8.60 8.35 2q51A12 GLU 235 HA 0.01 0.15 0.39 -0.75 4.29 4.09 2q51A12 GLU 235 HB2 0.00 0.07 0.05 -0.04 2.09 2.18 2q51A12 GLU 235 HB3 0.00 0.05 0.14 -0.04 1.99 2.14 2q51A12 GLU 235 HG2 0.00 -0.49 0.21 -0.04 2.34 2.02 2q51A12 GLU 235 HG3 0.00 0.09 0.07 -0.04 2.34 2.46 2q51A12 ASN 236 H 0.00 0.07 0.02 -0.55 8.53 8.08 2q51A12 ASN 236 HA 0.00 0.08 0.32 -0.75 4.76 4.41 2q51A12 ASN 236 HB2 0.00 -0.00 -0.16 -0.04 2.88 2.67 2q51A12 ASN 236 HB3 0.00 0.05 0.07 -0.04 2.79 2.87 2q51A12 ASN 236 HD21 0.00 0.04 0.02 -0.04 7.03 7.05 2q51A12 ASN 236 HD22 0.00 -0.01 -0.03 -0.04 7.74 7.65 2q51A12 GLY 237 H 0.01 -0.24 -1.28 -0.55 8.43 6.37 2q51A12 GLY 237 HA2 0.01 0.19 0.25 -0.51 4.01 3.94 2q51A12 GLY 237 HA3 0.01 0.17 0.62 -0.51 4.01 4.30 2q51A12 GLU 238 H 0.00 -0.11 -0.03 -0.55 8.60 7.92 2q51A12 GLU 238 HA 0.01 0.28 0.83 -0.75 4.29 4.66 2q51A12 GLU 238 HB2 0.00 -0.10 -0.06 -0.04 2.09 1.89 2q51A12 GLU 238 HB3 -0.00 0.10 -0.15 -0.04 1.99 1.89 2q51A12 GLU 238 HG2 -0.00 0.04 -0.01 -0.04 2.34 2.32 2q51A12 GLU 238 HG3 0.01 -0.07 0.10 -0.04 2.34 2.34 2q51A12 ILE 239 H 0.00 0.10 0.11 -0.55 8.25 7.91 2q51A12 ILE 239 HA -0.02 0.30 0.47 -0.75 4.18 4.18 2q51A12 ILE 239 HB -0.04 -0.06 0.12 -0.04 1.89 1.87 2q51A12 ILE 239 HG12 0.09 0.06 0.00 -0.04 1.49 1.60 2q51A12 ILE 239 HG13 0.05 -0.01 0.03 -0.04 1.21 1.24 2q51A12 ILE 239 HG23 -0.26 0.01 -0.18 -0.04 0.93 0.45 2q51A12 ILE 239 HD13 0.02 0.00 -0.01 -0.04 0.88 0.85 2q51A12 ALA 240 H -0.04 0.68 0.26 -0.55 8.40 8.76 2q51A12 ALA 240 HA -0.03 0.10 0.75 -0.75 4.34 4.41 2q51A12 ALA 240 HB3 0.00 -0.02 -0.16 -0.04 1.41 1.20 2q51A12 ALA 241 H -0.11 0.23 0.14 -0.55 8.40 8.11 2q51A12 ALA 241 HA -0.05 0.06 0.83 -0.75 4.34 4.43 2q51A12 ALA 241 HB3 0.05 -0.01 -0.33 -0.04 1.41 1.08 2q51A12 ILE 242 H -0.07 0.63 0.30 -0.55 8.25 8.56 2q51A12 ILE 242 HA -0.43 0.08 0.64 -0.75 4.18 3.72 2q51A12 ILE 242 HB -0.14 -0.04 0.10 -0.04 1.89 1.77 2q51A12 ILE 242 HG12 -0.03 -0.12 -0.29 -0.04 1.49 1.02 2q51A12 ILE 242 HG13 -0.02 0.38 -0.45 -0.04 1.21 1.08 2q51A12 ILE 242 HG23 -0.09 0.03 0.00 -0.04 0.93 0.84 2q51A12 ILE 242 HD13 -0.05 -0.03 -0.08 -0.04 0.88 0.67 2q51A12 ILE 243 H -0.02 0.08 0.14 -0.55 8.25 7.90 2q51A12 ILE 243 HA 0.32 0.11 0.52 -0.75 4.18 4.37 2q51A12 ILE 243 HB 0.08 -0.08 0.10 -0.04 1.89 1.94 2q51A12 ILE 243 HG12 0.47 -0.12 0.14 -0.04 1.49 1.93 2q51A12 ILE 243 HG13 0.15 -0.07 0.10 -0.04 1.21 1.34 2q51A12 ILE 243 HG23 0.03 0.00 -0.13 -0.04 0.93 0.79 2q51A12 ILE 243 HD13 0.18 0.06 0.06 -0.04 0.88 1.14 2q51A12 HIS 244 H 0.26 0.23 0.05 -0.55 8.41 8.40 2q51A12 HIS 244 HA 0.04 0.06 0.04 -0.75 4.63 4.02 2q51A12 HIS 244 HB2 0.04 0.26 -0.40 -0.04 3.26 3.12 2q51A12 HIS 244 HB3 -0.02 -0.02 -0.29 -0.04 3.20 2.83 2q51A12 HIS 244 HD2 0.02 0.15 -0.07 -0.04 6.97 7.02 2q51A12 HIS 244 HE1 -0.01 0.02 0.00 -0.04 7.75 7.71 2q51A12 PRO 245 HA -0.06 0.19 0.57 -0.51 4.44 4.64 2q51A12 PRO 245 HB2 -0.08 0.03 -0.01 -0.04 2.28 2.18 2q51A12 PRO 245 HB3 -0.12 0.03 0.07 -0.04 2.02 1.95 2q51A12 PRO 245 HG2 -0.48 0.01 0.06 -0.04 2.03 1.58 2q51A12 PRO 245 HG3 -0.27 0.03 0.03 -0.04 2.03 1.78 2q51A12 PRO 245 HD2 -1.46 0.09 0.09 -0.04 3.68 2.36 2q51A12 PRO 245 HD3 -0.34 0.15 -0.01 -0.04 3.65 3.41 2q51A12 ASN 246 H 0.81 0.10 -0.24 -0.55 8.53 8.65 2q51A12 ASN 246 HA 0.06 0.17 0.61 -0.75 4.76 4.84 2q51A12 ASN 246 HB2 0.07 0.00 0.01 -0.04 2.88 2.92 2q51A12 ASN 246 HB3 0.01 0.04 0.08 -0.04 2.79 2.88 2q51A12 ASN 246 HD21 0.04 -0.03 -0.00 -0.04 7.03 6.99 2q51A12 ASN 246 HD22 0.02 0.03 0.04 -0.04 7.74 7.79 2q51A12 LEU 247 H 0.11 0.13 -0.75 -0.55 8.37 7.31 2q51A12 LEU 247 HA -0.09 0.21 0.71 -0.75 4.35 4.42 2q51A12 LEU 247 HB2 -0.12 0.21 -0.07 -0.04 1.64 1.62 2q51A12 LEU 247 HB3 -0.02 -0.12 0.04 -0.04 1.64 1.50 2q51A12 LEU 247 HG -0.26 -0.10 0.12 -0.04 1.64 1.37 2q51A12 LEU 247 HD13 -0.32 -0.01 -0.09 -0.04 0.93 0.47 2q51A12 LEU 247 HD23 -0.45 0.01 0.02 -0.04 0.89 0.44 2q51A12 GLN 248 H -0.03 0.35 -0.46 -0.55 8.47 7.79 2q51A12 GLN 248 HA -0.05 0.03 0.54 -0.75 4.36 4.13 2q51A12 GLN 248 HB2 -0.01 0.18 -0.21 -0.04 2.15 2.07 2q51A12 GLN 248 HB3 -0.02 0.10 0.03 -0.04 2.02 2.09 2q51A12 GLN 248 HG2 -0.01 -0.03 -0.08 -0.04 2.40 2.24 2q51A12 GLN 248 HG3 -0.01 -0.03 -0.14 -0.04 2.39 2.16 2q51A12 GLN 248 HE21 0.04 -0.10 -0.01 -0.04 6.97 6.86 2q51A12 GLN 248 HE22 0.01 0.15 -0.11 -0.04 7.69 7.70 2q51A12 ASP 249 H -0.05 0.16 0.02 -0.55 8.40 7.98 2q51A12 ASP 249 HA -0.03 -0.05 0.42 -0.75 4.63 4.21 2q51A12 ASP 249 HB2 -0.02 0.38 0.35 -0.04 2.71 3.38 2q51A12 ASP 249 HB3 -0.01 -0.00 0.11 -0.04 2.70 2.75 2q51A12 GLN 250 H -0.06 0.22 -0.93 -0.55 8.47 7.15 2q51A12 GLN 250 HA -0.03 0.16 0.57 -0.75 4.36 4.31 2q51A12 GLN 250 HB2 -0.06 0.03 0.05 -0.04 2.15 2.14 2q51A12 GLN 250 HB3 -0.04 -0.00 0.15 -0.04 2.02 2.09 2q51A12 GLN 250 HG2 -0.02 0.09 0.01 -0.04 2.40 2.44 2q51A12 GLN 250 HG3 -0.01 0.00 0.04 -0.04 2.39 2.38 2q51A12 GLN 250 HE21 0.01 -0.00 -0.06 -0.04 6.97 6.88 2q51A12 GLN 250 HE22 -0.01 -0.03 -0.16 -0.04 7.69 7.45 2q51A12 ASP 251 H -0.11 0.37 -0.19 -0.55 8.40 7.92 2q51A12 ASP 251 HA -0.34 0.15 0.40 -0.75 4.63 4.09 2q51A12 ASP 251 HB2 -0.26 0.24 0.01 -0.04 2.71 2.66 2q51A12 ASP 251 HB3 -1.01 -0.10 0.08 -0.04 2.70 1.64 2q51A12 TRP 252 H -0.74 0.51 0.19 -0.55 7.97 7.38 2q51A12 TRP 252 HA -0.30 -0.05 0.14 -0.75 4.62 3.65 2q51A12 TRP 252 HB2 -0.54 0.17 0.07 -0.04 3.23 2.89 2q51A12 TRP 252 HB3 -0.67 -0.07 -0.03 -0.04 3.23 2.42 2q51A12 TRP 252 HD1 -0.70 0.20 -0.37 -0.04 7.22 6.32 2q51A12 TRP 252 HE1 -0.43 0.12 -0.27 -0.04 10.20 9.58 2q51A12 TRP 252 HE3 -1.35 0.02 -0.14 -0.04 7.59 6.07 2q51A12 TRP 252 HZ2 -0.25 0.05 -0.21 -0.04 7.44 6.98 2q51A12 TRP 252 HZ3 0.24 -0.05 -0.14 -0.04 7.13 7.14 2q51A12 TRP 252 HH2 0.07 -0.04 -0.21 -0.04 7.19 6.97 2q51A12 LYS 253 H -0.00 0.48 -0.82 -0.55 8.42 7.53 2q51A12 LYS 253 HA 0.11 -0.01 0.39 -0.75 4.32 4.06 2q51A12 LYS 253 HB2 -0.04 0.07 0.01 -0.04 1.87 1.87 2q51A12 LYS 253 HB3 0.02 -0.06 0.04 -0.04 1.79 1.74 2q51A12 LYS 253 HG2 -0.00 0.15 -0.18 -0.04 1.46 1.38 2q51A12 LYS 253 HG3 0.02 -0.10 0.01 -0.04 1.46 1.36 2q51A12 LYS 253 HD2 0.08 -0.07 0.01 -0.04 1.69 1.67 2q51A12 LYS 253 HD3 0.11 -0.09 -0.07 -0.04 1.68 1.59 2q51A12 LYS 253 HE2 0.12 -0.06 0.00 -0.04 2.99 3.01 2q51A12 LYS 253 HE3 0.06 0.19 0.04 -0.04 2.99 3.24 2q51A12 PRO 254 HA -0.48 0.22 0.67 -0.51 4.44 4.35 2q51A12 PRO 254 HB2 -0.51 -0.04 0.07 -0.04 2.28 1.76 2q51A12 PRO 254 HB3 -0.28 -0.01 0.13 -0.04 2.02 1.81 2q51A12 PRO 254 HG2 -0.08 -0.01 0.15 -0.04 2.03 2.04 2q51A12 PRO 254 HG3 0.11 -0.02 0.11 -0.04 2.03 2.19 2q51A12 PRO 254 HD2 0.05 0.04 0.19 -0.04 3.68 3.93 2q51A12 PRO 254 HD3 0.21 0.13 0.24 -0.04 3.65 4.19 2q51A12 LEU 255 H -0.31 0.21 0.34 -0.55 8.37 8.06 2q51A12 LEU 255 HA -0.26 -0.01 0.48 -0.75 4.35 3.81 2q51A12 LEU 255 HB2 -0.21 0.05 0.10 -0.04 1.64 1.54 2q51A12 LEU 255 HB3 -0.17 -0.09 0.07 -0.04 1.64 1.41 2q51A12 LEU 255 HG -0.14 0.04 -0.23 -0.04 1.64 1.27 2q51A12 LEU 255 HD13 -0.18 -0.01 -0.03 -0.04 0.93 0.67 2q51A12 LEU 255 HD23 -0.17 -0.02 -0.09 -0.04 0.89 0.56 2q51A12 HIS 256 H -0.15 0.06 0.25 -0.55 8.41 8.02 2q51A12 HIS 256 HA -0.09 0.23 0.94 -0.75 4.63 4.95 2q51A12 HIS 256 HB2 -0.07 -0.11 0.12 -0.04 3.26 3.17 2q51A12 HIS 256 HB3 -0.06 -0.03 0.15 -0.04 3.20 3.22 2q51A12 HIS 256 HD2 -0.05 -0.05 0.06 -0.04 6.97 6.88 2q51A12 HIS 256 HE1 -0.06 -0.05 -0.02 -0.04 7.75 7.58 2q51A12 PRO 257 HA -0.02 0.29 0.22 -0.51 4.44 4.43 2q51A12 PRO 257 HB2 -0.01 -0.10 0.03 -0.04 2.28 2.16 2q51A12 PRO 257 HB3 -0.01 -0.01 -0.14 -0.04 2.02 1.82 2q51A12 PRO 257 HG2 0.00 -0.04 0.00 -0.04 2.03 1.95 2q51A12 PRO 257 HG3 0.01 0.33 -0.03 -0.04 2.03 2.30 2q51A12 PRO 257 HD2 0.10 0.05 0.19 -0.04 3.68 3.98 2q51A12 PRO 257 HD3 0.07 0.21 0.09 -0.04 3.65 3.98 2q51A12 GLY 258 H -0.01 0.06 -0.14 -0.55 8.43 7.79 2q51A12 GLY 258 HA2 -0.05 0.18 0.88 -0.51 4.01 4.51 2q51A12 GLY 258 HA3 -0.04 -0.03 0.25 -0.51 4.01 3.68 2q51A12 ASP 259 H -0.02 0.02 -0.27 -0.55 8.40 7.58 2q51A12 ASP 259 HA -0.08 0.01 0.34 -0.75 4.63 4.15 2q51A12 ASP 259 HB2 -0.10 0.18 0.15 -0.04 2.71 2.91 2q51A12 ASP 259 HB3 -0.09 0.11 0.05 -0.04 2.70 2.73 2q51A12 PRO 260 HA -0.25 0.17 0.18 -0.51 4.44 4.02 2q51A12 PRO 260 HB2 -1.50 -0.00 -0.03 -0.04 2.28 0.71 2q51A12 PRO 260 HB3 -0.83 0.01 0.07 -0.04 2.02 1.23 2q51A12 PRO 260 HG2 -0.30 -0.01 -0.07 -0.04 2.03 1.61 2q51A12 PRO 260 HG3 -0.49 -0.02 0.03 -0.04 2.03 1.51 2q51A12 PRO 260 HD2 -0.14 0.04 0.16 -0.04 3.68 3.69 2q51A12 PRO 260 HD3 -0.20 0.12 0.16 -0.04 3.65 3.69 2q51A12 PHE 262 HA 0.09 -0.01 0.38 -0.75 4.62 4.33 2q51A12 PHE 262 HB2 0.06 -0.09 -0.06 -0.04 3.15 3.03 2q51A12 PHE 262 HB3 0.08 -0.05 -0.10 -0.04 3.06 2.95 2q51A12 PHE 262 HD2 0.09 -0.08 0.00 -0.04 7.28 7.25 2q51A12 PHE 262 HE2 0.16 0.01 -0.14 -0.04 7.38 7.37 2q51A12 PHE 262 HZ 0.16 0.07 -0.32 -0.04 7.32 7.19 2q51A12 LEU 263 H 0.18 0.66 0.08 -0.55 8.37 8.75 2q51A12 LEU 263 HA 0.15 0.31 0.81 -0.75 4.35 4.87 2q51A12 LEU 263 HB2 0.03 -0.03 -0.18 -0.04 1.64 1.42 2q51A12 LEU 263 HB3 -0.00 -0.07 -0.09 -0.04 1.64 1.44 2q51A12 LEU 263 HG 0.00 0.01 -0.26 -0.04 1.64 1.35 2q51A12 LEU 263 HD13 0.09 0.07 -0.16 -0.04 0.93 0.88 2q51A12 LEU 263 HD23 -0.12 -0.02 -0.09 -0.04 0.89 0.62 2q51A12 THR 264 H 0.07 0.41 0.17 -0.55 8.28 8.39 2q51A12 THR 264 HA 0.01 0.21 0.94 -0.75 4.39 4.80 2q51A12 THR 264 HB 0.02 0.12 0.13 -0.04 4.32 4.56 2q51A12 THR 264 HG23 0.07 0.06 -0.07 -0.04 1.22 1.24 2q51A12 LEU 265 H -0.01 0.34 0.21 -0.55 8.37 8.36 2q51A12 LEU 265 HA -0.02 0.09 0.27 -0.75 4.35 3.94 2q51A12 LEU 265 HB2 -0.01 0.01 0.10 -0.04 1.64 1.70 2q51A12 LEU 265 HB3 -0.02 0.01 0.13 -0.04 1.64 1.72 2q51A12 LEU 265 HG -0.04 -0.01 0.05 -0.04 1.64 1.59 2q51A12 LEU 265 HD13 -0.03 0.02 0.01 -0.04 0.93 0.88 2q51A12 LEU 265 HD23 -0.03 0.00 0.01 -0.04 0.89 0.83 2q51A12 ASP 266 H 0.01 0.01 -0.72 -0.55 8.40 7.15 2q51A12 ASP 266 HA 0.00 0.20 0.73 -0.75 4.63 4.81 2q51A12 ASP 266 HB2 0.01 -0.04 0.03 -0.04 2.71 2.67 2q51A12 ASP 266 HB3 0.01 0.02 0.15 -0.04 2.70 2.83 2q51A12 GLY 267 H 0.01 0.46 -0.31 -0.55 8.43 8.04 2q51A12 GLY 267 HA2 0.01 0.02 0.26 -0.51 4.01 3.79 2q51A12 GLY 267 HA3 0.01 0.06 0.36 -0.51 4.01 3.93 2q51A12 LYS 268 H 0.03 -0.00 -0.18 -0.55 8.42 7.71 2q51A12 LYS 268 HA 0.04 0.20 0.89 -0.75 4.32 4.69 2q51A12 LYS 268 HB2 0.03 0.04 0.06 -0.04 1.87 1.95 2q51A12 LYS 268 HB3 0.03 -0.00 -0.03 -0.04 1.79 1.74 2q51A12 LYS 268 HG2 0.04 -0.07 -0.07 -0.04 1.46 1.32 2q51A12 LYS 268 HG3 0.05 -0.05 -0.28 -0.04 1.46 1.14 2q51A12 LYS 268 HD2 0.03 0.24 -0.23 -0.04 1.69 1.70 2q51A12 LYS 268 HD3 0.02 -0.03 -0.05 -0.04 1.68 1.58 2q51A12 LYS 268 HE2 0.03 0.03 -0.07 -0.04 2.99 2.93 2q51A12 LYS 268 HE3 0.03 -0.06 -0.07 -0.04 2.99 2.85 2q51A12 THR 269 H 0.04 0.11 0.19 -0.55 8.28 8.07 2q51A12 THR 269 HA 0.12 0.31 1.07 -0.75 4.39 5.12 2q51A12 THR 269 HB -0.00 -0.06 0.14 -0.04 4.32 4.36 2q51A12 THR 269 HG23 -0.14 0.03 -0.16 -0.04 1.22 0.90 2q51A12 ILE 270 H 0.06 0.68 0.28 -0.55 8.25 8.72 2q51A12 ILE 270 HA -0.00 0.11 0.80 -0.75 4.18 4.33 2q51A12 ILE 270 HB 0.07 0.10 0.12 -0.04 1.89 2.14 2q51A12 ILE 270 HG12 0.07 -0.00 -0.21 -0.04 1.49 1.31 2q51A12 ILE 270 HG13 0.11 0.01 -0.29 -0.04 1.21 1.00 2q51A12 ILE 270 HG23 0.02 0.00 -0.11 -0.04 0.93 0.80 2q51A12 ILE 270 HD13 0.21 -0.03 -0.15 -0.04 0.88 0.86 2q51A12 PRO 271 HA -0.15 0.22 0.69 -0.51 4.44 4.70 2q51A12 PRO 271 HB2 -0.07 0.04 0.07 -0.04 2.28 2.27 2q51A12 PRO 271 HB3 -0.08 0.12 -0.09 -0.04 2.02 1.93 2q51A12 PRO 271 HG2 -0.05 -0.02 0.06 -0.04 2.03 1.99 2q51A12 PRO 271 HG3 -0.04 -0.03 0.05 -0.04 2.03 1.97 2q51A12 PRO 271 HD2 -0.04 0.04 0.20 -0.04 3.68 3.84 2q51A12 PRO 271 HD3 -0.04 0.26 0.11 -0.04 3.65 3.95 2q51A12 LEU 272 H -0.12 0.42 0.03 -0.55 8.37 8.14 2q51A12 LEU 272 HA -0.11 -0.03 0.27 -0.75 4.35 3.73 2q51A12 LEU 272 HB2 -0.11 -0.05 -0.01 -0.04 1.64 1.43 2q51A12 LEU 272 HB3 -0.07 0.19 -0.04 -0.04 1.64 1.68 2q51A12 LEU 272 HG -0.03 0.18 -0.30 -0.04 1.64 1.44 2q51A12 LEU 272 HD13 -0.02 -0.03 -0.00 -0.04 0.93 0.84 2q51A12 LEU 272 HD23 -0.07 -0.08 -0.36 -0.04 0.89 0.34 2q51A12 GLY 273 H -0.05 0.51 -0.17 -0.55 8.43 8.17 2q51A12 GLY 273 HA2 -0.03 -0.11 0.30 -0.51 4.01 3.67 2q51A12 GLY 273 HA3 -0.03 -0.04 0.25 -0.51 4.01 3.68 2q51A12 GLY 274 H -0.01 -0.02 0.09 -0.55 8.43 7.94 2q51A12 GLY 274 HA2 -0.00 -0.10 0.40 -0.51 4.01 3.80 2q51A12 GLY 274 HA3 -0.00 0.18 0.33 -0.51 4.01 4.00 2q51A12 ASP 275 H 0.00 0.09 0.07 -0.55 8.40 8.01 2q51A12 ASP 275 HA 0.00 0.10 0.50 -0.75 4.63 4.48 2q51A12 ASP 275 HB2 0.00 0.02 0.16 -0.04 2.71 2.85 2q51A12 ASP 275 HB3 -0.00 -0.03 0.10 -0.04 2.70 2.73 2q51A12 CYS 276 H 0.01 0.73 -0.05 -0.55 8.50 8.64 2q51A12 CYS 276 HA 0.02 -0.04 0.52 -0.75 4.58 4.33 2q51A12 CYS 276 HB2 0.01 0.04 -0.02 -0.04 2.97 2.96 2q51A12 CYS 276 HB3 0.03 0.04 0.01 -0.04 2.97 3.00 2q51A12 THR 277 H 0.03 0.01 0.09 -0.55 8.28 7.87 2q51A12 THR 277 HA -0.02 0.14 0.44 -0.75 4.39 4.20 2q51A12 THR 277 HB 0.03 -0.08 0.10 -0.04 4.32 4.34 2q51A12 THR 277 HG23 -0.25 0.01 -0.16 -0.04 1.22 0.78 2q51A12 VAL 278 H -0.24 0.55 0.29 -0.55 8.24 8.29 2q51A12 VAL 278 HA -0.03 0.12 0.67 -0.75 4.13 4.13 2q51A12 VAL 278 HB 0.07 -0.18 0.07 -0.04 2.12 2.03 2q51A12 VAL 278 HG13 0.04 0.03 -0.26 -0.04 0.97 0.74 2q51A12 VAL 278 HG23 -0.02 0.01 -0.10 -0.04 0.95 0.79 2q51A12 TYR 279 H 0.24 0.36 0.28 -0.55 8.29 8.62 2q51A12 TYR 279 HA -0.03 0.19 0.84 -0.75 4.56 4.81 2q51A12 TYR 279 HB2 0.22 -0.10 0.11 -0.04 3.06 3.25 2q51A12 TYR 279 HB3 0.07 0.24 -0.00 -0.04 2.98 3.24 2q51A12 TYR 279 HD2 0.15 0.39 0.18 -0.04 7.15 7.83 2q51A12 TYR 279 HE2 0.12 0.00 0.02 -0.04 6.85 6.95 2q51A12 PRO 280 HA 0.07 0.29 0.97 -0.51 4.44 5.25 2q51A12 PRO 280 HB2 -0.24 -0.03 -0.13 -0.04 2.28 1.84 2q51A12 PRO 280 HB3 0.03 0.01 -0.06 -0.04 2.02 1.96 2q51A12 PRO 280 HG2 -0.23 0.04 0.05 -0.04 2.03 1.85 2q51A12 PRO 280 HG3 -0.29 0.06 0.00 -0.04 2.03 1.77 2q51A12 PRO 280 HD2 -0.13 0.52 0.21 -0.04 3.68 4.24 2q51A12 PRO 280 HD3 -0.12 0.05 -0.00 -0.04 3.65 3.54 2q51A12 VAL 281 H -0.13 1.23 0.47 -0.55 8.24 9.25 2q51A12 VAL 281 HA -0.93 0.02 0.74 -0.75 4.13 3.20 2q51A12 VAL 281 HB -0.65 0.01 -0.06 -0.04 2.12 1.37 2q51A12 VAL 281 HG13 -1.59 0.00 -0.10 -0.04 0.97 -0.76 2q51A12 VAL 281 HG23 -1.39 0.04 -0.27 -0.04 0.95 -0.71 2q51A12 PHE 282 H -0.60 0.19 0.04 -0.55 8.34 7.42 2q51A12 PHE 282 HA -0.36 0.01 0.18 -0.75 4.62 3.70 2q51A12 PHE 282 HB2 -0.37 0.18 -0.15 -0.04 3.15 2.78 2q51A12 PHE 282 HB3 -0.63 -0.02 0.16 -0.04 3.06 2.53 2q51A12 PHE 282 HD2 -0.35 -0.01 -0.12 -0.04 7.28 6.76 2q51A12 PHE 282 HE2 -0.10 0.01 -0.12 -0.04 7.38 7.13 2q51A12 PHE 282 HZ 0.03 0.01 -0.12 -0.04 7.32 7.19 2q51A12 VAL 283 H -0.17 0.05 -0.20 -0.55 8.24 7.37 2q51A12 VAL 283 HA -0.01 0.24 0.40 -0.75 4.13 4.01 2q51A12 VAL 283 HB -0.11 -0.21 0.03 -0.04 2.12 1.79 2q51A12 VAL 283 HG13 -0.09 0.03 -0.14 -0.04 0.97 0.73 2q51A12 VAL 283 HG23 -0.24 0.01 -0.28 -0.04 0.95 0.40 2q51A12 ASN 284 H 0.04 0.51 0.31 -0.55 8.53 8.84 2q51A12 ASN 284 HA 0.15 0.06 0.36 -0.75 4.76 4.58 2q51A12 ASN 284 HB2 0.07 0.02 -0.20 -0.04 2.88 2.72 2q51A12 ASN 284 HB3 0.07 0.05 0.30 -0.04 2.79 3.17 2q51A12 ASN 284 HD21 0.39 -0.04 0.00 -0.04 7.03 7.34 2q51A12 ASN 284 HD22 0.35 0.05 -0.02 -0.04 7.74 8.08 2q51A12 GLU 285 H 0.00 0.32 -0.04 -0.55 8.60 8.34 2q51A12 GLU 285 HA 0.05 0.08 0.56 -0.75 4.29 4.22 2q51A12 GLU 285 HB2 -0.17 0.03 -0.11 -0.04 2.09 1.80 2q51A12 GLU 285 HB3 -0.46 0.13 0.03 -0.04 1.99 1.65 2q51A12 GLU 285 HG2 -0.24 0.13 -0.04 -0.04 2.34 2.15 2q51A12 GLU 285 HG3 0.26 -0.26 -0.19 -0.04 2.34 2.11 2q51A12 ALA 286 H 0.08 0.11 0.15 -0.55 8.40 8.19 2q51A12 ALA 286 HA 0.01 0.15 0.37 -0.75 4.34 4.12 2q51A12 ALA 286 HB3 -0.02 0.02 0.14 -0.04 1.41 1.51 2q51A12 ALA 287 H 0.11 0.06 -0.04 -0.55 8.40 7.98 2q51A12 ALA 287 HA -0.00 0.09 0.43 -0.75 4.34 4.10 2q51A12 ALA 287 HB3 -0.05 0.01 0.05 -0.04 1.41 1.37 2q51A12 TYR 288 H 0.40 0.15 -0.57 -0.55 8.29 7.72 2q51A12 TYR 288 HA -0.06 0.11 0.68 -0.75 4.56 4.53 2q51A12 TYR 288 HB2 -0.08 0.06 0.06 -0.04 3.06 3.07 2q51A12 TYR 288 HB3 -0.14 0.23 0.14 -0.04 2.98 3.17 2q51A12 TYR 288 HD2 -0.23 -0.09 -0.11 -0.04 7.15 6.68 2q51A12 TYR 288 HE2 -0.47 -0.02 -0.09 -0.04 6.85 6.23 2q51A12 TYR 289 H 0.45 0.32 -0.18 -0.55 8.29 8.33 2q51A12 TYR 289 HA 0.15 0.08 0.25 -0.75 4.56 4.28 2q51A12 TYR 289 HB2 0.06 0.02 0.16 -0.04 3.06 3.25 2q51A12 TYR 289 HB3 0.08 0.00 -0.04 -0.04 2.98 2.98 2q51A12 TYR 289 HD2 0.08 0.06 0.02 -0.04 7.15 7.27 2q51A12 TYR 289 HE2 -0.02 -0.01 -0.14 -0.04 6.85 6.64 2q51A12 GLU 290 H 0.14 0.14 -0.09 -0.55 8.60 8.25 2q51A12 GLU 290 HA 0.07 0.11 0.48 -0.75 4.29 4.19 2q51A12 GLU 290 HB2 0.05 -0.02 0.09 -0.04 2.09 2.17 2q51A12 GLU 290 HB3 0.03 0.02 0.01 -0.04 1.99 2.01 2q51A12 GLU 290 HG2 0.02 0.02 -0.01 -0.04 2.34 2.32 2q51A12 GLU 290 HG3 0.03 0.02 0.09 -0.04 2.34 2.44 2q51A12 LYS 291 H 0.02 0.05 -0.62 -0.55 8.42 7.31 2q51A12 LYS 291 HA -0.07 0.03 0.36 -0.75 4.32 3.89 2q51A12 LYS 291 HB2 -0.20 0.07 0.14 -0.04 1.87 1.83 2q51A12 LYS 291 HB3 -0.17 -0.12 0.26 -0.04 1.79 1.73 2q51A12 LYS 291 HG2 -0.22 0.02 0.15 -0.04 1.46 1.37 2q51A12 LYS 291 HG3 -0.20 -0.01 0.04 -0.04 1.46 1.25 2q51A12 LYS 291 HD2 -0.67 -0.03 -0.09 -0.04 1.69 0.86 2q51A12 LYS 291 HD3 -1.71 -0.05 -0.08 -0.04 1.68 -0.21 2q51A12 LYS 291 HE2 -0.26 0.00 -0.05 -0.04 2.99 2.65 2q51A12 LYS 291 HE3 -0.54 -0.05 -0.07 -0.04 2.99 2.28 2q51A12 LYS 292 H -0.01 0.48 -1.09 -0.55 8.42 7.25 2q51A12 LYS 292 HA -0.04 0.07 0.21 -0.75 4.32 3.80 2q51A12 LYS 292 HB2 -0.03 -0.03 -0.06 -0.04 1.87 1.70 2q51A12 LYS 292 HB3 -0.05 -0.04 0.20 -0.04 1.79 1.86 2q51A12 LYS 292 HG2 -0.01 0.07 0.09 -0.04 1.46 1.56 2q51A12 LYS 292 HG3 -0.02 -0.05 0.04 -0.04 1.46 1.40 2q51A12 LYS 292 HD2 -0.04 -0.04 0.03 -0.04 1.69 1.61 2q51A12 LYS 292 HD3 -0.04 -0.00 -0.00 -0.04 1.68 1.59 2q51A12 LYS 292 HE2 0.00 0.02 -0.01 -0.04 2.99 2.96 2q51A12 LYS 292 HE3 -0.01 -0.03 -0.00 -0.04 2.99 2.91 2q51A12 GLU 293 H -0.05 0.49 -0.60 -0.55 8.60 7.89 2q51A12 GLU 293 HA -0.15 0.07 0.78 -0.75 4.29 4.23 2q51A12 GLU 293 HB2 -0.00 0.04 -0.02 -0.04 2.09 2.07 2q51A12 GLU 293 HB3 0.15 -0.04 0.13 -0.04 1.99 2.17 2q51A12 GLU 293 HG2 0.08 -0.12 -0.22 -0.04 2.34 2.04 2q51A12 GLU 293 HG3 -0.10 0.34 0.04 -0.04 2.34 2.58 2q51A12 ALA 294 H -0.32 0.51 0.34 -0.55 8.40 8.38 2q51A12 ALA 294 HA -0.72 0.01 0.64 -0.75 4.34 3.52 2q51A12 ALA 294 HB3 -0.71 -0.03 0.06 -0.04 1.41 0.69 2q51A12 PHE 295 H -0.20 0.21 -0.08 -0.55 8.34 7.71 2q51A12 PHE 295 HA -0.13 0.13 0.17 -0.75 4.62 4.04 2q51A12 PHE 295 HB2 -0.12 0.02 -0.12 -0.04 3.15 2.89 2q51A12 PHE 295 HB3 -0.09 0.15 0.15 -0.04 3.06 3.22 2q51A12 PHE 295 HD2 -0.07 -0.05 -0.57 -0.04 7.28 6.56 2q51A12 PHE 295 HE2 0.10 0.00 -0.23 -0.04 7.38 7.22 2q51A12 PHE 295 HZ -0.07 0.06 -0.16 -0.04 7.32 7.11 2q51A12 ALA 296 H 0.12 1.29 0.36 -0.55 8.40 9.63 2q51A12 ALA 296 HA -0.06 0.12 0.99 -0.75 4.34 4.63 2q51A12 ALA 296 HB3 0.11 -0.03 -0.05 -0.04 1.41 1.40 2q51A12 LYS 297 H -0.05 0.34 0.20 -0.55 8.42 8.35 2q51A12 LYS 297 HA 0.17 0.09 0.61 -0.75 4.32 4.44 2q51A12 LYS 297 HB2 -0.04 0.11 0.08 -0.04 1.87 1.97 2q51A12 LYS 297 HB3 0.05 -0.12 0.06 -0.04 1.79 1.74 2q51A12 LYS 297 HG2 0.11 -0.03 -0.09 -0.04 1.46 1.40 2q51A12 LYS 297 HG3 0.19 -0.03 -0.11 -0.04 1.46 1.47 2q51A12 LYS 297 HD2 0.04 -0.01 -0.13 -0.04 1.69 1.56 2q51A12 LYS 297 HD3 0.07 0.07 -0.11 -0.04 1.68 1.67 2q51A12 LYS 297 HE2 0.37 -0.02 -0.14 -0.04 2.99 3.15 2q51A12 LYS 297 HE3 -0.07 0.01 -0.17 -0.04 2.99 2.73 2q51A12 THR 298 H 0.20 0.59 0.30 -0.55 8.28 8.81 2q51A12 THR 298 HA 0.21 0.36 1.06 -0.75 4.39 5.25 2q51A12 THR 298 HB 0.41 -0.24 -0.02 -0.04 4.32 4.43 2q51A12 THR 298 HG23 0.21 0.01 -0.49 -0.04 1.22 0.91 2q51A12 THR 299 H 0.18 0.30 0.31 -0.55 8.28 8.52 2q51A12 THR 299 HA 0.39 0.14 0.92 -0.75 4.39 5.09 2q51A12 THR 299 HB 0.10 0.07 0.04 -0.04 4.32 4.50 2q51A12 THR 299 HG23 0.15 0.00 -0.00 -0.04 1.22 1.33 2q51A12 LYS 300 H -0.43 0.09 0.12 -0.55 8.42 7.65 2q51A12 LYS 300 HA -0.82 0.21 0.47 -0.75 4.32 3.42 2q51A12 LYS 300 HB2 -0.66 0.03 0.13 -0.04 1.87 1.32 2q51A12 LYS 300 HB3 -0.26 -0.04 0.08 -0.04 1.79 1.53 2q51A12 LYS 300 HG2 -0.23 -0.06 -0.09 -0.04 1.46 1.04 2q51A12 LYS 300 HG3 -0.56 0.02 0.09 -0.04 1.46 0.97 2q51A12 LYS 300 HD2 -0.03 0.00 -0.02 -0.04 1.69 1.61 2q51A12 LYS 300 HD3 -0.08 0.04 0.00 -0.04 1.68 1.61 2q51A12 LYS 300 HE2 0.05 0.01 -0.01 -0.04 2.99 3.00 2q51A12 LYS 300 HE3 -0.04 -0.02 -0.02 -0.04 2.99 2.86 2q51A12 LEU 301 H -0.48 0.34 0.40 -0.55 8.37 8.09 2q51A12 LEU 301 HA -0.13 0.04 0.62 -0.75 4.35 4.13 2q51A12 LEU 301 HB2 -0.15 -0.06 -0.04 -0.04 1.64 1.35 2q51A12 LEU 301 HB3 -0.09 -0.02 -0.04 -0.04 1.64 1.44 2q51A12 LEU 301 HG -0.10 0.29 -0.75 -0.04 1.64 1.04 2q51A12 LEU 301 HD13 -0.04 -0.05 -0.11 -0.04 0.93 0.69 2q51A12 LEU 301 HD23 -0.04 -0.03 0.06 -0.04 0.89 0.84 2q51A12 THR 302 H -0.08 0.15 0.11 -0.55 8.28 7.91 2q51A12 THR 302 HA -0.10 0.27 1.12 -0.75 4.39 4.92 2q51A12 THR 302 HB -0.04 -0.02 0.14 -0.04 4.32 4.35 2q51A12 THR 302 HG23 -0.06 -0.00 -0.23 -0.04 1.22 0.89 2q51A12 LEU 303 H -0.07 0.40 0.30 -0.55 8.37 8.45 2q51A12 LEU 303 HA -0.04 0.04 0.60 -0.75 4.35 4.19 2q51A12 LEU 303 HB2 -0.05 0.00 0.06 -0.04 1.64 1.61 2q51A12 LEU 303 HB3 -0.05 0.04 0.02 -0.04 1.64 1.60 2q51A12 LEU 303 HG -0.07 -0.01 -0.13 -0.04 1.64 1.39 2q51A12 LEU 303 HD13 -0.06 0.01 -0.07 -0.04 0.93 0.77 2q51A12 LEU 303 HD23 -0.05 0.01 -0.08 -0.04 0.89 0.73 2q51A12 ASN 304 H -0.03 0.16 0.27 -0.55 8.53 8.39 2q51A12 ASN 304 HA -0.01 0.29 1.09 -0.75 4.76 5.38 2q51A12 ASN 304 HB2 -0.00 0.01 0.02 -0.04 2.88 2.86 2q51A12 ASN 304 HB3 -0.01 0.00 -0.04 -0.04 2.79 2.71 2q51A12 ASN 304 HD21 -0.01 -0.03 0.02 -0.04 7.03 6.96 2q51A12 ASN 304 HD22 -0.01 -0.00 -0.02 -0.04 7.74 7.66 2q51A12 ALA 305 H -0.01 0.52 0.35 -0.55 8.40 8.70 2q51A12 ALA 305 HA -0.02 0.16 0.98 -0.75 4.34 4.71 2q51A12 ALA 305 HB3 -0.04 0.02 -0.07 -0.04 1.41 1.28 2q51A12 LYS 306 H -0.00 0.13 0.16 -0.55 8.42 8.16 2q51A12 LYS 306 HA 0.01 0.03 0.63 -0.75 4.32 4.23 2q51A12 LYS 306 HB2 0.01 -0.03 0.15 -0.04 1.87 1.97 2q51A12 LYS 306 HB3 0.02 0.11 -0.06 -0.04 1.79 1.82 2q51A12 LYS 306 HG2 0.01 -0.00 0.08 -0.04 1.46 1.51 2q51A12 LYS 306 HG3 0.01 -0.02 0.04 -0.04 1.46 1.44 2q51A12 LYS 306 HD2 0.01 -0.00 0.02 -0.04 1.69 1.68 2q51A12 LYS 306 HD3 0.01 0.03 0.02 -0.04 1.68 1.70 2q51A12 LYS 306 HE2 0.01 -0.01 0.02 -0.04 2.99 2.97 2q51A12 LYS 306 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 2q51A12 SER 307 H 0.02 0.04 0.18 -0.55 8.46 8.15 2q51A12 SER 307 HA 0.04 0.16 0.26 -0.75 4.49 4.20 2q51A12 SER 307 HB2 0.03 -0.05 0.17 -0.04 3.95 4.06 2q51A12 SER 307 HB3 0.03 -0.08 0.13 -0.04 3.93 3.97 2q51A12 ILE 308 H 0.10 0.35 0.24 -0.55 8.25 8.40 2q51A12 ILE 308 HA 0.08 0.18 1.03 -0.75 4.18 4.72 2q51A12 ILE 308 HB 0.17 0.02 0.03 -0.04 1.89 2.07 2q51A12 ILE 308 HG12 0.05 0.10 -0.00 -0.04 1.49 1.60 2q51A12 ILE 308 HG13 0.10 -0.00 -0.07 -0.04 1.21 1.19 2q51A12 ILE 308 HG23 0.07 0.00 -0.11 -0.04 0.93 0.85 2q51A12 ILE 308 HD13 0.07 -0.02 -0.08 -0.04 0.88 0.81 2q51A12 ARG 309 H 0.13 0.29 0.22 -0.55 8.46 8.55 2q51A12 ARG 309 HA 0.24 0.12 0.63 -0.75 4.34 4.58 2q51A12 ARG 309 HB2 0.05 0.02 -0.06 -0.04 1.90 1.88 2q51A12 ARG 309 HB3 0.04 -0.03 0.00 -0.04 1.80 1.77 2q51A12 ARG 309 HG2 -0.01 -0.11 0.14 -0.04 1.67 1.64 2q51A12 ARG 309 HG3 -0.01 0.06 0.07 -0.04 1.67 1.74 2q51A12 ARG 309 HD2 -0.01 -0.09 -0.28 -0.04 3.22 2.80 2q51A12 ARG 309 HD3 -0.06 0.11 -0.06 -0.04 3.22 3.17 2q51A12 CYS 310 H -0.07 0.18 0.02 -0.55 8.50 8.09 2q51A12 CYS 310 HA -0.05 0.15 0.28 -0.75 4.58 4.21 2q51A12 CYS 310 HB2 -1.28 0.09 0.06 -0.04 2.97 1.79 2q51A12 CYS 310 HB3 -0.38 -0.05 0.07 -0.04 2.97 2.56