============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 10 1.040 15.856 -21.731 -26.517 -99.200 -91.000 TRP6 10 1.020 17.821 -20.804 -25.577 -99.200 -91.000 TYR 28 0.840 -4.471 -22.890 -15.394 -99.200 -91.000 PHE 37 1.000 19.514 -8.720 -12.571 -99.200 -91.000 PHE 48 1.000 23.046 8.556 -4.871 -99.200 -91.000 TYR 54 0.840 23.796 4.056 -2.969 -99.200 -91.000 HIS 55 0.900 18.056 0.985 -1.016 -99.200 -91.000 TYR 56 0.840 14.548 4.364 -9.949 -99.200 -91.000 TRP 89 1.040 5.597 -21.079 -21.177 -99.200 -91.000 TRP6 89 1.020 3.576 -21.430 -19.993 -99.200 -91.000 PHE 91 1.000 8.709 -16.199 -22.214 -99.200 -91.000 PHE 93 1.000 14.176 -12.206 -22.979 -99.200 -91.000 PHE 95 1.000 24.851 -11.060 -21.804 -99.200 -91.000 TYR 102 0.840 30.462 -10.329 -19.500 -99.200 -91.000 PHE 117 1.000 25.959 -16.697 -20.100 -99.200 -91.000 HIS 120 0.900 20.559 -17.386 -22.804 -99.200 -91.000 PHE 130 1.000 8.978 -11.336 -22.882 -99.200 -91.000 TRP 147 1.040 1.960 -9.397 -13.748 -99.200 -91.000 TRP6 147 1.020 3.780 -10.176 -15.065 -99.200 -91.000 PHE 150 1.000 12.291 -13.185 -2.011 -99.200 -91.000 HIS 151 0.900 15.586 -7.525 -2.667 -99.200 -91.000 TYR 154 0.840 19.054 -4.186 -9.667 -99.200 -91.000 PHE 156 1.000 6.941 -6.009 -10.814 -99.200 -91.000 TYR 158 0.840 17.501 -6.160 -16.303 -99.200 -91.000 TYR 172 0.840 10.076 3.414 -6.443 -99.200 -91.000 PHE 175 1.000 10.660 1.178 -11.696 -99.200 -91.000 TYR 176 0.840 4.411 2.603 -6.740 -99.200 -91.000 TYR 182 0.840 3.304 -0.639 -19.523 -99.200 -91.000 PHE 183 1.000 4.512 -5.485 -14.914 -99.200 -91.000 TYR 187 0.840 -0.817 -9.058 -3.470 -99.200 -91.000 TYR 191 0.840 5.694 -4.090 1.748 -99.200 -91.000 HIS 213 0.900 11.539 -30.919 -5.092 -99.200 -91.000 HIS 219 0.900 21.657 -17.041 -10.005 -99.200 -91.000 PHE 232 1.000 0.514 -14.711 -3.412 -99.200 -91.000 PHE 233 1.000 -1.154 -19.193 -5.392 -99.200 -91.000 TYR 239 0.840 3.063 -17.370 7.779 -99.200 -91.000 PHE 240 1.000 -0.803 -12.127 4.736 -99.200 -91.000 TYR 253 0.840 13.312 -5.696 1.154 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2p51A1 SER 17 HA -0.02 -0.10 0.21 -0.75 4.49 3.82 2p51A1 SER 17 HB2 -0.03 0.00 0.05 -0.04 3.95 3.93 2p51A1 SER 17 HB3 -0.03 0.02 0.03 -0.04 3.93 3.91 2p51A1 GLN 18 H -0.03 0.06 0.07 -0.55 8.47 8.03 2p51A1 GLN 18 HA -0.03 0.24 0.81 -0.75 4.36 4.63 2p51A1 GLN 18 HB2 -0.02 -0.03 0.04 -0.04 2.15 2.10 2p51A1 GLN 18 HB3 -0.02 -0.03 0.17 -0.04 2.02 2.10 2p51A1 GLN 18 HG2 -0.02 0.07 -0.05 -0.04 2.40 2.36 2p51A1 GLN 18 HG3 -0.02 -0.01 -0.09 -0.04 2.39 2.23 2p51A1 GLN 18 HE21 -0.01 -0.02 -0.00 -0.04 6.97 6.89 2p51A1 GLN 18 HE22 -0.01 -0.00 -0.00 -0.04 7.69 7.63 2p51A1 ILE 19 H -0.04 0.09 -0.14 -0.55 8.25 7.61 2p51A1 ILE 19 HA -0.04 0.19 0.94 -0.75 4.18 4.52 2p51A1 ILE 19 HB -0.06 -0.00 0.11 -0.04 1.89 1.89 2p51A1 ILE 19 HG12 -0.05 -0.15 -0.02 -0.04 1.49 1.22 2p51A1 ILE 19 HG13 -0.09 0.12 -0.33 -0.04 1.21 0.88 2p51A1 ILE 19 HG23 -0.03 -0.03 -0.07 -0.04 0.93 0.76 2p51A1 ILE 19 HD13 -0.07 0.09 -0.03 -0.04 0.88 0.83 2p51A1 SER 20 H -0.07 0.07 0.10 -0.55 8.46 8.01 2p51A1 SER 20 HA -0.07 0.13 0.40 -0.75 4.49 4.19 2p51A1 SER 20 HB2 -0.12 0.00 0.06 -0.04 3.95 3.85 2p51A1 SER 20 HB3 -0.09 0.00 0.10 -0.04 3.93 3.90 2p51A1 PRO 21 HA -0.15 0.11 0.54 -0.51 4.44 4.43 2p51A1 PRO 21 HB2 -0.09 -0.03 -0.05 -0.04 2.28 2.07 2p51A1 PRO 21 HB3 -0.08 0.09 0.10 -0.04 2.02 2.09 2p51A1 PRO 21 HG2 -0.06 -0.05 0.03 -0.04 2.03 1.91 2p51A1 PRO 21 HG3 -0.05 0.08 0.06 -0.04 2.03 2.09 2p51A1 PRO 21 HD2 -0.07 0.01 0.22 -0.04 3.68 3.80 2p51A1 PRO 21 HD3 -0.06 0.31 0.20 -0.04 3.65 4.06 2p51A1 ILE 22 H -0.13 0.13 -0.21 -0.55 8.25 7.48 2p51A1 ILE 22 HA -0.23 0.31 0.91 -0.75 4.18 4.41 2p51A1 ILE 22 HB -0.10 -0.02 0.02 -0.04 1.89 1.75 2p51A1 ILE 22 HG12 -0.10 0.07 -0.30 -0.04 1.49 1.12 2p51A1 ILE 22 HG13 -0.10 -0.06 -0.35 -0.04 1.21 0.66 2p51A1 ILE 22 HG23 -0.12 -0.03 -0.31 -0.04 0.93 0.42 2p51A1 ILE 22 HD13 -0.07 0.00 -0.15 -0.04 0.88 0.62 2p51A1 ARG 23 H -0.46 0.70 0.33 -0.55 8.46 8.47 2p51A1 ARG 23 HA -0.21 0.14 0.88 -0.75 4.34 4.39 2p51A1 ARG 23 HB2 -1.04 -0.02 0.19 -0.04 1.90 0.99 2p51A1 ARG 23 HB3 -0.25 0.00 0.01 -0.04 1.80 1.52 2p51A1 ARG 23 HG2 -0.27 -0.01 -0.03 -0.04 1.67 1.31 2p51A1 ARG 23 HG3 -0.58 0.06 -0.10 -0.04 1.67 1.01 2p51A1 ARG 23 HD2 -0.32 0.29 -0.01 -0.04 3.22 3.13 2p51A1 ARG 23 HD3 -0.78 -0.06 -0.08 -0.04 3.22 2.26 2p51A1 ASP 24 H -0.10 0.18 0.17 -0.55 8.40 8.11 2p51A1 ASP 24 HA -0.27 0.16 0.83 -0.75 4.63 4.59 2p51A1 ASP 24 HB2 0.05 -0.00 0.13 -0.04 2.71 2.85 2p51A1 ASP 24 HB3 -0.17 -0.00 -0.09 -0.04 2.70 2.40 2p51A1 VAL 25 H -0.59 0.72 0.45 -0.55 8.24 8.26 2p51A1 VAL 25 HA -0.17 0.12 0.90 -0.75 4.13 4.22 2p51A1 VAL 25 HB -0.61 -0.10 0.10 -0.04 2.12 1.47 2p51A1 VAL 25 HG13 -0.04 0.04 -0.12 -0.04 0.97 0.80 2p51A1 VAL 25 HG23 -0.53 0.05 -0.25 -0.04 0.95 0.17 2p51A1 TRP 26 H 0.07 0.09 0.17 -0.55 7.97 7.75 2p51A1 TRP 26 HA -0.15 0.30 0.89 -0.75 4.62 4.91 2p51A1 TRP 26 HB2 -0.06 -0.13 0.07 -0.04 3.23 3.07 2p51A1 TRP 26 HB3 -0.08 0.19 0.23 -0.04 3.23 3.54 2p51A1 TRP 26 HD1 -0.08 0.04 -0.17 -0.04 7.22 6.97 2p51A1 TRP 26 HE1 -0.10 0.02 -0.12 -0.04 10.20 9.96 2p51A1 TRP 26 HE3 -0.19 0.16 -0.28 -0.04 7.59 7.24 2p51A1 TRP 26 HZ2 -0.13 0.01 -0.04 -0.04 7.44 7.24 2p51A1 TRP 26 HZ3 -0.59 -0.01 -0.37 -0.04 7.13 6.12 2p51A1 TRP 26 HH2 -0.30 -0.05 -0.05 -0.04 7.19 6.74 2p51A1 SER 27 H 0.25 0.91 0.23 -0.55 8.46 9.30 2p51A1 SER 27 HA 0.10 -0.00 0.41 -0.75 4.49 4.25 2p51A1 SER 27 HB2 0.09 -0.03 0.09 -0.04 3.95 4.06 2p51A1 SER 27 HB3 0.12 0.22 -0.14 -0.04 3.93 4.08 2p51A1 THR 28 H 0.16 0.07 -0.30 -0.55 8.28 7.66 2p51A1 THR 28 HA 0.06 0.15 0.36 -0.75 4.39 4.21 2p51A1 THR 28 HB 0.04 0.05 0.07 -0.04 4.32 4.44 2p51A1 THR 28 HG23 0.02 0.01 0.03 -0.04 1.22 1.25 2p51A1 ASN 29 H 0.13 0.22 -0.21 -0.55 8.53 8.11 2p51A1 ASN 29 HA 0.07 0.22 0.90 -0.75 4.76 5.19 2p51A1 ASN 29 HB2 0.07 0.00 0.18 -0.04 2.88 3.09 2p51A1 ASN 29 HB3 0.08 0.07 -0.09 -0.04 2.79 2.81 2p51A1 ASN 29 HD21 0.07 0.39 0.20 -0.04 7.03 7.66 2p51A1 ASN 29 HD22 0.08 0.01 0.06 -0.04 7.74 7.84 2p51A1 LEU 30 H 0.09 0.32 -0.14 -0.55 8.37 8.10 2p51A1 LEU 30 HA 0.13 0.03 0.34 -0.75 4.35 4.10 2p51A1 LEU 30 HB2 0.12 0.07 0.08 -0.04 1.64 1.87 2p51A1 LEU 30 HB3 0.11 0.05 0.12 -0.04 1.64 1.88 2p51A1 LEU 30 HG 0.14 0.02 -0.33 -0.04 1.64 1.44 2p51A1 LEU 30 HD13 0.36 -0.01 -0.04 -0.04 0.93 1.19 2p51A1 LEU 30 HD23 0.15 0.01 -0.19 -0.04 0.89 0.82 2p51A1 GLN 31 H 0.07 0.17 -0.16 -0.55 8.47 8.00 2p51A1 GLN 31 HA 0.06 0.12 0.29 -0.75 4.36 4.08 2p51A1 GLN 31 HB2 0.05 0.03 0.06 -0.04 2.15 2.25 2p51A1 GLN 31 HB3 0.05 -0.00 0.05 -0.04 2.02 2.08 2p51A1 GLN 31 HG2 0.03 0.03 -0.05 -0.04 2.40 2.37 2p51A1 GLN 31 HG3 0.03 -0.01 -0.14 -0.04 2.39 2.24 2p51A1 GLN 31 HE21 0.02 0.04 -0.02 -0.04 6.97 6.97 2p51A1 GLN 31 HE22 0.03 -0.01 -0.01 -0.04 7.69 7.66 2p51A1 GLN 32 H 0.06 0.09 -0.22 -0.55 8.47 7.85 2p51A1 GLN 32 HA 0.05 0.07 0.44 -0.75 4.36 4.16 2p51A1 GLN 32 HB2 0.05 -0.01 0.11 -0.04 2.15 2.26 2p51A1 GLN 32 HB3 0.06 0.08 0.13 -0.04 2.02 2.25 2p51A1 GLN 32 HG2 0.07 0.02 -0.16 -0.04 2.40 2.29 2p51A1 GLN 32 HG3 0.05 0.00 0.03 -0.04 2.39 2.43 2p51A1 GLN 32 HE21 0.03 0.00 0.01 -0.04 6.97 6.98 2p51A1 GLN 32 HE22 0.04 -0.00 0.01 -0.04 7.69 7.70 2p51A1 GLU 33 H 0.08 0.52 -0.16 -0.55 8.60 8.50 2p51A1 GLU 33 HA 0.15 0.05 0.44 -0.75 4.29 4.18 2p51A1 GLU 33 HB2 0.06 0.04 0.07 -0.04 2.09 2.22 2p51A1 GLU 33 HB3 0.10 -0.02 -0.04 -0.04 1.99 1.99 2p51A1 GLU 33 HG2 0.09 0.08 0.06 -0.04 2.34 2.53 2p51A1 GLU 33 HG3 0.07 -0.02 -0.07 -0.04 2.34 2.28 2p51A1 MET 34 H 0.07 0.63 -0.06 -0.55 8.47 8.57 2p51A1 MET 34 HA -0.06 0.01 0.50 -0.75 4.52 4.22 2p51A1 MET 34 HB2 0.03 0.06 0.11 -0.04 2.15 2.31 2p51A1 MET 34 HB3 -0.03 0.03 -0.02 -0.04 2.03 1.97 2p51A1 MET 34 HG2 0.21 0.09 0.06 -0.04 2.63 2.95 2p51A1 MET 34 HG3 0.03 -0.04 -0.04 -0.04 2.56 2.47 2p51A1 MET 34 HE3 -0.14 -0.00 -0.15 -0.04 2.10 1.77 2p51A1 ASN 35 H 0.02 0.51 -0.28 -0.55 8.53 8.23 2p51A1 ASN 35 HA -0.01 0.04 0.37 -0.75 4.76 4.41 2p51A1 ASN 35 HB2 0.03 0.08 0.17 -0.04 2.88 3.12 2p51A1 ASN 35 HB3 0.02 -0.04 0.00 -0.04 2.79 2.73 2p51A1 ASN 35 HD21 0.02 -0.05 -0.06 -0.04 7.03 6.90 2p51A1 ASN 35 HD22 0.02 -0.05 -0.04 -0.04 7.74 7.63 2p51A1 LEU 36 H 0.02 0.48 -0.16 -0.55 8.37 8.16 2p51A1 LEU 36 HA 0.06 0.01 0.42 -0.75 4.35 4.08 2p51A1 LEU 36 HB2 0.13 0.01 0.12 -0.04 1.64 1.86 2p51A1 LEU 36 HB3 0.17 0.10 0.16 -0.04 1.64 2.03 2p51A1 LEU 36 HG 0.39 0.01 -0.22 -0.04 1.64 1.78 2p51A1 LEU 36 HD13 0.12 -0.02 0.00 -0.04 0.93 0.99 2p51A1 LEU 36 HD23 0.32 -0.01 -0.05 -0.04 0.89 1.10 2p51A1 ILE 37 H -0.26 0.61 -0.05 -0.55 8.25 8.00 2p51A1 ILE 37 HA -0.43 -0.01 0.45 -0.75 4.18 3.44 2p51A1 ILE 37 HB -0.33 0.09 0.15 -0.04 1.89 1.76 2p51A1 ILE 37 HG12 -2.12 -0.02 -0.01 -0.04 1.49 -0.70 2p51A1 ILE 37 HG13 -1.59 0.06 0.04 -0.04 1.21 -0.33 2p51A1 ILE 37 HG23 -0.27 -0.00 -0.16 -0.04 0.93 0.46 2p51A1 ILE 37 HD13 -0.71 -0.04 -0.09 -0.04 0.88 -0.00 2p51A1 MET 38 H -0.09 0.71 -0.11 -0.55 8.47 8.43 2p51A1 MET 38 HA -0.04 0.07 0.47 -0.75 4.52 4.26 2p51A1 MET 38 HB2 -0.03 0.05 0.18 -0.04 2.15 2.30 2p51A1 MET 38 HB3 -0.02 -0.04 0.05 -0.04 2.03 1.98 2p51A1 MET 38 HG2 -0.04 0.24 0.20 -0.04 2.63 2.99 2p51A1 MET 38 HG3 -0.06 0.03 0.10 -0.04 2.56 2.59 2p51A1 MET 38 HE3 -0.02 0.01 0.01 -0.04 2.10 2.06 2p51A1 SER 39 H -0.01 0.46 -0.29 -0.55 8.46 8.07 2p51A1 SER 39 HA 0.02 0.03 0.52 -0.75 4.49 4.31 2p51A1 SER 39 HB2 0.04 -0.11 0.12 -0.04 3.95 3.96 2p51A1 SER 39 HB3 0.03 0.09 0.14 -0.04 3.93 4.14 2p51A1 LEU 40 H 0.02 0.47 -0.36 -0.55 8.37 7.95 2p51A1 LEU 40 HA 0.17 0.09 0.78 -0.75 4.35 4.64 2p51A1 LEU 40 HB2 0.07 0.14 0.09 -0.04 1.64 1.90 2p51A1 LEU 40 HB3 0.19 -0.07 -0.00 -0.04 1.64 1.72 2p51A1 LEU 40 HG 0.12 0.08 -0.12 -0.04 1.64 1.67 2p51A1 LEU 40 HD13 0.23 -0.02 -0.11 -0.04 0.93 0.99 2p51A1 LEU 40 HD23 0.14 -0.02 -0.01 -0.04 0.89 0.96 2p51A1 ILE 41 H 0.02 0.38 -0.05 -0.55 8.25 8.06 2p51A1 ILE 41 HA 0.07 0.13 0.03 -0.75 4.18 3.65 2p51A1 ILE 41 HB -0.03 0.03 0.00 -0.04 1.89 1.85 2p51A1 ILE 41 HG12 -0.00 0.00 -0.25 -0.04 1.49 1.20 2p51A1 ILE 41 HG13 0.01 -0.00 -0.19 -0.04 1.21 0.98 2p51A1 ILE 41 HG23 0.00 0.06 -0.04 -0.04 0.93 0.92 2p51A1 ILE 41 HD13 -0.05 0.04 -0.06 -0.04 0.88 0.77 2p51A1 GLU 42 H 0.04 0.14 -0.36 -0.55 8.60 7.88 2p51A1 GLU 42 HA 0.01 0.12 0.33 -0.75 4.29 4.00 2p51A1 GLU 42 HB2 0.01 0.02 0.04 -0.04 2.09 2.12 2p51A1 GLU 42 HB3 0.01 -0.01 0.01 -0.04 1.99 1.97 2p51A1 GLU 42 HG2 -0.01 -0.01 -0.20 -0.04 2.34 2.08 2p51A1 GLU 42 HG3 -0.00 0.01 0.05 -0.04 2.34 2.36 2p51A1 ARG 43 H 0.03 0.20 -0.26 -0.55 8.46 7.88 2p51A1 ARG 43 HA -0.14 0.06 0.58 -0.75 4.34 4.08 2p51A1 ARG 43 HB2 -0.01 0.11 0.08 -0.04 1.90 2.05 2p51A1 ARG 43 HB3 -0.53 -0.07 0.01 -0.04 1.80 1.17 2p51A1 ARG 43 HG2 -0.10 -0.03 0.03 -0.04 1.67 1.53 2p51A1 ARG 43 HG3 -0.02 -0.02 -0.02 -0.04 1.67 1.56 2p51A1 ARG 43 HD2 -0.00 -0.04 0.02 -0.04 3.22 3.16 2p51A1 ARG 43 HD3 -0.00 -0.04 0.02 -0.04 3.22 3.15 2p51A1 TYR 44 H 0.12 0.35 -0.37 -0.55 8.29 7.84 2p51A1 TYR 44 HA 0.03 0.03 0.59 -0.75 4.56 4.46 2p51A1 TYR 44 HB2 0.05 0.01 -0.03 -0.04 3.06 3.05 2p51A1 TYR 44 HB3 0.05 -0.07 -0.21 -0.04 2.98 2.72 2p51A1 TYR 44 HD2 0.03 0.11 -0.08 -0.04 7.15 7.18 2p51A1 TYR 44 HE2 0.02 -0.01 -0.20 -0.04 6.85 6.62 2p51A1 PRO 45 HA 0.02 0.13 0.42 -0.51 4.44 4.51 2p51A1 PRO 45 HB2 0.04 0.14 0.28 -0.04 2.28 2.69 2p51A1 PRO 45 HB3 0.02 0.10 0.10 -0.04 2.02 2.20 2p51A1 PRO 45 HG2 0.06 -0.07 -0.00 -0.04 2.03 1.97 2p51A1 PRO 45 HG3 0.02 0.03 0.06 -0.04 2.03 2.09 2p51A1 PRO 45 HD2 0.03 -0.11 0.15 -0.04 3.68 3.71 2p51A1 PRO 45 HD3 -0.03 0.14 -0.59 -0.04 3.65 3.14 2p51A1 VAL 46 H 0.10 0.54 -0.28 -0.55 8.24 8.05 2p51A1 VAL 46 HA -0.00 0.17 0.96 -0.75 4.13 4.50 2p51A1 VAL 46 HB 0.27 0.03 0.03 -0.04 2.12 2.41 2p51A1 VAL 46 HG13 0.04 -0.03 -0.16 -0.04 0.97 0.78 2p51A1 VAL 46 HG23 0.23 -0.02 -0.19 -0.04 0.95 0.93 2p51A1 VAL 47 H -0.28 0.78 0.35 -0.55 8.24 8.54 2p51A1 VAL 47 HA -0.18 0.26 0.98 -0.75 4.13 4.43 2p51A1 VAL 47 HB -1.45 -0.01 0.15 -0.04 2.12 0.77 2p51A1 VAL 47 HG13 -0.79 -0.04 -0.20 -0.04 0.97 -0.11 2p51A1 VAL 47 HG23 -0.44 0.03 -0.15 -0.04 0.95 0.34 2p51A1 SER 48 H -0.04 0.78 0.40 -0.55 8.46 9.05 2p51A1 SER 48 HA -0.01 0.18 1.05 -0.75 4.49 4.96 2p51A1 SER 48 HB2 0.05 0.05 0.17 -0.04 3.95 4.18 2p51A1 SER 48 HB3 0.05 -0.08 0.05 -0.04 3.93 3.90 2p51A1 MET 49 H 0.07 0.53 0.45 -0.55 8.47 8.98 2p51A1 MET 49 HA 0.12 0.44 1.14 -0.75 4.52 5.46 2p51A1 MET 49 HB2 0.34 0.06 -0.19 -0.04 2.15 2.32 2p51A1 MET 49 HB3 0.19 -0.06 0.03 -0.04 2.03 2.14 2p51A1 MET 49 HG2 0.21 0.15 0.11 -0.04 2.63 3.07 2p51A1 MET 49 HG3 0.43 -0.00 -0.08 -0.04 2.56 2.86 2p51A1 MET 49 HE3 -0.45 0.01 -0.25 -0.04 2.10 1.37 2p51A1 ASP 50 H 0.10 0.56 0.43 -0.55 8.40 8.94 2p51A1 ASP 50 HA 0.05 0.08 0.60 -0.75 4.63 4.61 2p51A1 ASP 50 HB2 0.03 0.06 -0.15 -0.04 2.71 2.60 2p51A1 ASP 50 HB3 0.01 0.02 0.01 -0.04 2.70 2.70 2p51A1 THR 51 H 0.08 0.21 0.23 -0.55 8.28 8.24 2p51A1 THR 51 HA 0.04 0.22 1.03 -0.75 4.39 4.94 2p51A1 THR 51 HB 0.01 0.19 0.24 -0.04 4.32 4.72 2p51A1 THR 51 HG23 0.09 -0.00 -0.08 -0.04 1.22 1.19 2p51A1 GLU 52 H -0.04 0.52 0.37 -0.55 8.60 8.91 2p51A1 GLU 52 HA -0.32 0.20 0.87 -0.75 4.29 4.28 2p51A1 GLU 52 HB2 -0.13 -0.07 0.07 -0.04 2.09 1.92 2p51A1 GLU 52 HB3 -0.21 0.10 0.07 -0.04 1.99 1.91 2p51A1 GLU 52 HG2 -0.12 -0.19 -0.22 -0.04 2.34 1.77 2p51A1 GLU 52 HG3 -0.14 0.11 -0.07 -0.04 2.34 2.19 2p51A1 PHE 53 H -0.61 0.35 0.24 -0.55 8.34 7.76 2p51A1 PHE 53 HA -0.22 0.20 0.67 -0.75 4.62 4.52 2p51A1 PHE 53 HB2 -0.18 0.21 -0.04 -0.04 3.15 3.11 2p51A1 PHE 53 HB3 -0.74 0.03 -0.19 -0.04 3.06 2.12 2p51A1 PHE 53 HD2 -0.04 0.07 -0.34 -0.04 7.28 6.93 2p51A1 PHE 53 HE2 -0.08 -0.01 -0.13 -0.04 7.38 7.12 2p51A1 PHE 53 HZ -0.27 -0.04 -0.05 -0.04 7.32 6.92 2p51A1 PRO 54 HA -0.01 0.08 0.38 -0.51 4.44 4.38 2p51A1 PRO 54 HB2 0.28 -0.17 0.30 -0.04 2.28 2.65 2p51A1 PRO 54 HB3 0.05 0.03 0.06 -0.04 2.02 2.11 2p51A1 PRO 54 HG2 0.34 0.04 0.07 -0.04 2.03 2.44 2p51A1 PRO 54 HG3 0.37 0.12 0.09 -0.04 2.03 2.57 2p51A1 PRO 54 HD2 0.34 0.14 -0.04 -0.04 3.68 4.07 2p51A1 PRO 54 HD3 0.12 0.42 0.17 -0.04 3.65 4.31 2p51A1 GLY 55 H 0.04 0.19 -0.60 -0.55 8.43 7.53 2p51A1 GLY 55 HA2 0.01 0.01 0.25 -0.51 4.01 3.77 2p51A1 GLY 55 HA3 0.05 0.02 0.37 -0.51 4.01 3.95 2p51A1 VAL 56 H 0.06 0.17 0.17 -0.55 8.24 8.09 2p51A1 VAL 56 HA 0.13 0.15 0.76 -0.75 4.13 4.42 2p51A1 VAL 56 HB 0.02 -0.03 0.09 -0.04 2.12 2.17 2p51A1 VAL 56 HG13 0.05 0.02 -0.15 -0.04 0.97 0.84 2p51A1 VAL 56 HG23 0.01 -0.01 -0.13 -0.04 0.95 0.78 2p51A1 VAL 57 H 0.08 0.15 0.10 -0.55 8.24 8.03 2p51A1 VAL 57 HA 0.05 0.20 0.92 -0.75 4.13 4.54 2p51A1 VAL 57 HB 0.03 0.03 0.03 -0.04 2.12 2.16 2p51A1 VAL 57 HG13 0.08 0.00 -0.33 -0.04 0.97 0.68 2p51A1 VAL 57 HG23 0.05 0.02 -0.13 -0.04 0.95 0.84 2p51A1 ALA 58 H 0.05 0.09 0.10 -0.55 8.40 8.08 2p51A1 ALA 58 HA 0.04 0.16 0.59 -0.75 4.34 4.38 2p51A1 ALA 58 HB3 0.03 0.04 -0.13 -0.04 1.41 1.31 2p51A1 ARG 59 H 0.05 0.22 0.12 -0.55 8.46 8.30 2p51A1 ARG 59 HA 0.01 0.17 0.88 -0.75 4.34 4.64 2p51A1 ARG 59 HB2 0.10 -0.02 0.10 -0.04 1.90 2.03 2p51A1 ARG 59 HB3 0.18 0.11 0.00 -0.04 1.80 2.05 2p51A1 ARG 59 HG2 0.04 -0.07 -0.31 -0.04 1.67 1.29 2p51A1 ARG 59 HG3 0.08 -0.00 -0.05 -0.04 1.67 1.66 2p51A1 ARG 59 HD2 0.16 0.02 -0.01 -0.04 3.22 3.35 2p51A1 ARG 59 HD3 -0.08 0.04 0.02 -0.04 3.22 3.16 2p51A1 PRO 60 HA 0.12 0.03 0.49 -0.51 4.44 4.58 2p51A1 PRO 60 HB2 0.39 0.12 -0.09 -0.04 2.28 2.65 2p51A1 PRO 60 HB3 0.11 0.04 0.04 -0.04 2.02 2.17 2p51A1 PRO 60 HG2 0.05 -0.00 -0.05 -0.04 2.03 1.98 2p51A1 PRO 60 HG3 -0.05 0.05 -0.34 -0.04 2.03 1.64 2p51A1 PRO 60 HD2 -0.10 0.04 0.22 -0.04 3.68 3.79 2p51A1 PRO 60 HD3 -0.05 0.20 0.13 -0.04 3.65 3.89 2p51A1 LEU 61 H 0.13 0.08 0.17 -0.55 8.37 8.20 2p51A1 LEU 61 HA 0.19 0.28 0.95 -0.75 4.35 5.02 2p51A1 LEU 61 HB2 0.06 -0.01 0.10 -0.04 1.64 1.74 2p51A1 LEU 61 HB3 0.04 -0.06 0.10 -0.04 1.64 1.68 2p51A1 LEU 61 HG 0.05 -0.02 0.03 -0.04 1.64 1.65 2p51A1 LEU 61 HD13 0.10 0.02 -0.24 -0.04 0.93 0.77 2p51A1 LEU 61 HD23 0.05 0.00 0.02 -0.04 0.89 0.92 2p51A1 GLY 62 H 0.04 0.11 0.17 -0.55 8.43 8.20 2p51A1 GLY 62 HA2 -0.09 -0.00 0.31 -0.51 4.01 3.72 2p51A1 GLY 62 HA3 -0.24 0.16 0.64 -0.51 4.01 4.06 2p51A1 VAL 63 H -0.24 0.14 0.18 -0.55 8.24 7.77 2p51A1 VAL 63 HA -0.03 0.22 0.88 -0.75 4.13 4.45 2p51A1 VAL 63 HB -0.03 0.00 0.15 -0.04 2.12 2.20 2p51A1 VAL 63 HG13 -0.04 0.01 -0.04 -0.04 0.97 0.85 2p51A1 VAL 63 HG23 -0.09 0.00 -0.07 -0.04 0.95 0.75 2p51A1 PHE 64 H 0.12 0.22 0.14 -0.55 8.34 8.26 2p51A1 PHE 64 HA 0.02 0.22 0.69 -0.75 4.62 4.79 2p51A1 PHE 64 HB2 0.01 0.08 -0.06 -0.04 3.15 3.15 2p51A1 PHE 64 HB3 0.06 -0.25 -0.11 -0.04 3.06 2.72 2p51A1 PHE 64 HD2 -0.02 -0.05 -0.17 -0.04 7.28 7.00 2p51A1 PHE 64 HE2 0.05 0.12 -0.24 -0.04 7.38 7.28 2p51A1 PHE 64 HZ 0.15 0.07 -0.49 -0.04 7.32 7.00 2p51A1 LYS 65 H 0.18 0.13 0.09 -0.55 8.42 8.27 2p51A1 LYS 65 HA 0.04 0.17 0.37 -0.75 4.32 4.14 2p51A1 LYS 65 HB2 0.08 -0.15 0.09 -0.04 1.87 1.84 2p51A1 LYS 65 HB3 0.04 0.06 0.08 -0.04 1.79 1.93 2p51A1 LYS 65 HG2 0.04 0.06 0.05 -0.04 1.46 1.57 2p51A1 LYS 65 HG3 0.08 -0.01 0.08 -0.04 1.46 1.58 2p51A1 LYS 65 HD2 0.03 0.02 0.04 -0.04 1.69 1.73 2p51A1 LYS 65 HD3 0.02 0.07 0.02 -0.04 1.68 1.75 2p51A1 LYS 65 HE2 0.04 0.06 0.02 -0.04 2.99 3.07 2p51A1 LYS 65 HE3 0.06 -0.09 0.04 -0.04 2.99 2.96 2p51A1 SER 66 H 0.10 -0.11 -0.43 -0.55 8.46 7.47 2p51A1 SER 66 HA 0.00 0.31 0.62 -0.75 4.49 4.67 2p51A1 SER 66 HB2 -0.06 -0.01 0.24 -0.04 3.95 4.08 2p51A1 SER 66 HB3 -0.02 0.27 -0.06 -0.04 3.93 4.08 2p51A1 SER 67 H -0.11 -0.09 0.25 -0.55 8.46 7.96 2p51A1 SER 67 HA -0.09 0.24 0.70 -0.75 4.49 4.59 2p51A1 SER 67 HB2 -0.04 0.15 0.06 -0.04 3.95 4.08 2p51A1 SER 67 HB3 -0.11 -0.02 0.10 -0.04 3.93 3.85 2p51A1 ASP 68 H -0.24 0.14 0.21 -0.55 8.40 7.96 2p51A1 ASP 68 HA -0.65 0.32 0.68 -0.75 4.63 4.22 2p51A1 ASP 68 HB2 -0.19 -0.02 0.05 -0.04 2.71 2.51 2p51A1 ASP 68 HB3 -0.26 -0.04 0.12 -0.04 2.70 2.48 2p51A1 ASP 69 H -0.10 -0.06 -0.14 -0.55 8.40 7.55 2p51A1 ASP 69 HA 0.03 0.13 0.45 -0.75 4.63 4.48 2p51A1 ASP 69 HB2 0.05 0.09 0.05 -0.04 2.71 2.86 2p51A1 ASP 69 HB3 0.11 -0.21 0.01 -0.04 2.70 2.57 2p51A1 TYR 70 H -0.03 0.01 -0.38 -0.55 8.29 7.34 2p51A1 TYR 70 HA -0.92 0.10 0.36 -0.75 4.56 3.35 2p51A1 TYR 70 HB2 -0.43 -0.02 -0.00 -0.04 3.06 2.56 2p51A1 TYR 70 HB3 -0.26 0.13 0.06 -0.04 2.98 2.86 2p51A1 TYR 70 HD2 -0.97 -0.01 -0.05 -0.04 7.15 6.08 2p51A1 TYR 70 HE2 -0.06 0.12 -0.03 -0.04 6.85 6.83 2p51A1 HIS 71 H -0.28 0.37 -0.29 -0.55 8.41 7.67 2p51A1 HIS 71 HA -0.31 0.06 0.43 -0.75 4.63 4.05 2p51A1 HIS 71 HB2 -0.11 0.11 0.19 -0.04 3.26 3.41 2p51A1 HIS 71 HB3 -0.07 -0.06 0.05 -0.04 3.20 3.07 2p51A1 HIS 71 HD2 -0.04 -0.07 -0.03 -0.04 6.97 6.78 2p51A1 HIS 71 HE1 -0.07 -0.05 -0.05 -0.04 7.75 7.53 2p51A1 TYR 72 H 0.01 0.53 -0.09 -0.55 8.29 8.19 2p51A1 TYR 72 HA -0.20 0.02 0.45 -0.75 4.56 4.07 2p51A1 TYR 72 HB2 -0.16 -0.04 0.12 -0.04 3.06 2.94 2p51A1 TYR 72 HB3 -0.07 0.02 0.18 -0.04 2.98 3.06 2p51A1 TYR 72 HD2 -0.14 0.00 -0.07 -0.04 7.15 6.90 2p51A1 TYR 72 HE2 -0.64 0.11 -0.35 -0.04 6.85 5.94 2p51A1 GLN 73 H -0.10 0.68 -0.02 -0.55 8.47 8.47 2p51A1 GLN 73 HA -0.27 0.06 0.43 -0.75 4.36 3.82 2p51A1 GLN 73 HB2 -0.16 0.04 0.08 -0.04 2.15 2.06 2p51A1 GLN 73 HB3 0.10 0.01 0.03 -0.04 2.02 2.12 2p51A1 GLN 73 HG2 0.18 0.05 0.02 -0.04 2.40 2.62 2p51A1 GLN 73 HG3 0.41 -0.02 -0.03 -0.04 2.39 2.71 2p51A1 GLN 73 HE21 0.26 0.75 0.22 -0.04 6.97 8.16 2p51A1 GLN 73 HE22 0.26 -0.23 0.08 -0.04 7.69 7.75 2p51A1 THR 74 H -0.36 0.48 -0.26 -0.55 8.28 7.60 2p51A1 THR 74 HA -0.19 0.07 0.61 -0.75 4.39 4.12 2p51A1 THR 74 HB -0.26 0.08 0.20 -0.04 4.32 4.30 2p51A1 THR 74 HG23 -0.05 -0.00 -0.03 -0.04 1.22 1.10 2p51A1 LEU 75 H -0.34 0.55 -0.04 -0.55 8.37 7.99 2p51A1 LEU 75 HA -0.82 -0.03 0.44 -0.75 4.35 3.18 2p51A1 LEU 75 HB2 -0.59 0.00 0.11 -0.04 1.64 1.12 2p51A1 LEU 75 HB3 -0.58 0.15 0.22 -0.04 1.64 1.39 2p51A1 LEU 75 HG -1.23 -0.07 -0.09 -0.04 1.64 0.21 2p51A1 LEU 75 HD13 -0.26 0.00 -0.23 -0.04 0.93 0.41 2p51A1 LEU 75 HD23 -0.59 0.01 -0.24 -0.04 0.89 0.03 2p51A1 ARG 76 H -0.66 0.70 -0.10 -0.55 8.46 7.84 2p51A1 ARG 76 HA -0.44 -0.03 0.35 -0.75 4.34 3.47 2p51A1 ARG 76 HB2 -1.03 0.00 0.04 -0.04 1.90 0.87 2p51A1 ARG 76 HB3 -0.45 0.06 0.12 -0.04 1.80 1.49 2p51A1 ARG 76 HG2 -0.18 -0.03 -0.21 -0.04 1.67 1.21 2p51A1 ARG 76 HG3 -0.21 -0.02 -0.09 -0.04 1.67 1.32 2p51A1 ARG 76 HD2 -0.05 0.12 -0.06 -0.04 3.22 3.19 2p51A1 ARG 76 HD3 -0.15 -0.05 -0.02 -0.04 3.22 2.96 2p51A1 ALA 77 H -0.22 0.46 -0.23 -0.55 8.40 7.86 2p51A1 ALA 77 HA -0.09 0.01 0.38 -0.75 4.34 3.89 2p51A1 ALA 77 HB3 -0.06 0.02 0.09 -0.04 1.41 1.42 2p51A1 ASN 78 H -0.13 0.46 -0.19 -0.55 8.53 8.12 2p51A1 ASN 78 HA 0.02 0.05 0.56 -0.75 4.76 4.63 2p51A1 ASN 78 HB2 0.13 0.07 0.19 -0.04 2.88 3.22 2p51A1 ASN 78 HB3 0.17 0.02 0.07 -0.04 2.79 3.01 2p51A1 ASN 78 HD21 0.02 0.53 0.22 -0.04 7.03 7.76 2p51A1 ASN 78 HD22 0.01 0.46 0.19 -0.04 7.74 8.35 2p51A1 VAL 79 H -0.28 0.80 0.12 -0.55 8.24 8.33 2p51A1 VAL 79 HA -0.40 0.05 0.39 -0.75 4.13 3.41 2p51A1 VAL 79 HB -0.47 0.05 0.06 -0.04 2.12 1.72 2p51A1 VAL 79 HG13 -0.99 -0.02 -0.23 -0.04 0.97 -0.31 2p51A1 VAL 79 HG23 -0.72 -0.02 0.04 -0.04 0.95 0.21 2p51A1 ASP 80 H -0.18 0.50 -0.21 -0.55 8.40 7.96 2p51A1 ASP 80 HA -0.09 0.01 0.33 -0.75 4.63 4.12 2p51A1 ASP 80 HB2 -0.08 0.18 0.09 -0.04 2.71 2.87 2p51A1 ASP 80 HB3 -0.04 -0.04 -0.06 -0.04 2.70 2.52 2p51A1 SER 81 H -0.02 0.23 -0.55 -0.55 8.46 7.57 2p51A1 SER 81 HA 0.02 0.11 0.56 -0.75 4.49 4.43 2p51A1 SER 81 HB2 0.02 0.12 0.15 -0.04 3.95 4.19 2p51A1 SER 81 HB3 0.03 -0.12 0.00 -0.04 3.93 3.81 2p51A1 LEU 82 H 0.10 0.45 -0.03 -0.55 8.37 8.35 2p51A1 LEU 82 HA 0.19 0.10 0.82 -0.75 4.35 4.71 2p51A1 LEU 82 HB2 0.30 0.02 0.02 -0.04 1.64 1.95 2p51A1 LEU 82 HB3 0.31 -0.03 -0.04 -0.04 1.64 1.84 2p51A1 LEU 82 HG 0.13 0.04 -0.07 -0.04 1.64 1.71 2p51A1 LEU 82 HD13 0.21 -0.04 -0.21 -0.04 0.93 0.85 2p51A1 LEU 82 HD23 0.15 0.05 -0.32 -0.04 0.89 0.73 2p51A1 LYS 83 H 0.32 0.11 0.19 -0.55 8.42 8.48 2p51A1 LYS 83 HA 0.24 0.11 0.51 -0.75 4.32 4.42 2p51A1 LYS 83 HB2 0.43 -0.08 0.15 -0.04 1.87 2.33 2p51A1 LYS 83 HB3 0.29 0.17 0.05 -0.04 1.79 2.25 2p51A1 LYS 83 HG2 0.12 0.03 0.00 -0.04 1.46 1.58 2p51A1 LYS 83 HG3 0.12 0.01 0.04 -0.04 1.46 1.59 2p51A1 LYS 83 HD2 -0.09 -0.10 0.06 -0.04 1.69 1.52 2p51A1 LYS 83 HD3 0.09 0.09 0.02 -0.04 1.68 1.85 2p51A1 LYS 83 HE2 0.05 0.02 -0.00 -0.04 2.99 3.02 2p51A1 LYS 83 HE3 0.01 0.02 0.02 -0.04 2.99 3.00 2p51A1 ILE 84 H 0.11 0.11 0.19 -0.55 8.25 8.12 2p51A1 ILE 84 HA -0.36 0.00 0.61 -0.75 4.18 3.68 2p51A1 ILE 84 HB -0.20 0.05 0.14 -0.04 1.89 1.84 2p51A1 ILE 84 HG12 -0.44 -0.00 -0.11 -0.04 1.49 0.90 2p51A1 ILE 84 HG13 -0.28 -0.07 -0.18 -0.04 1.21 0.63 2p51A1 ILE 84 HG23 -0.42 -0.00 -0.06 -0.04 0.93 0.41 2p51A1 ILE 84 HD13 -0.41 0.04 0.07 -0.04 0.88 0.54 2p51A1 ILE 85 H -0.11 0.49 0.45 -0.55 8.25 8.53 2p51A1 ILE 85 HA 0.11 0.26 0.85 -0.75 4.18 4.64 2p51A1 ILE 85 HB -0.18 -0.04 -0.16 -0.04 1.89 1.47 2p51A1 ILE 85 HG12 -0.67 0.04 -0.14 -0.04 1.49 0.68 2p51A1 ILE 85 HG13 -0.28 0.19 -0.31 -0.04 1.21 0.78 2p51A1 ILE 85 HG23 -0.43 -0.02 -0.14 -0.04 0.93 0.30 2p51A1 ILE 85 HD13 -0.51 -0.05 -0.21 -0.04 0.88 0.08 2p51A1 GLN 86 H -0.01 0.42 0.42 -0.55 8.47 8.75 2p51A1 GLN 86 HA 0.23 0.40 1.09 -0.75 4.36 5.33 2p51A1 GLN 86 HB2 -0.03 -0.20 0.04 -0.04 2.15 1.93 2p51A1 GLN 86 HB3 0.01 -0.00 -0.05 -0.04 2.02 1.94 2p51A1 GLN 86 HG2 -0.02 0.14 0.03 -0.04 2.40 2.50 2p51A1 GLN 86 HG3 -0.00 0.01 -0.28 -0.04 2.39 2.08 2p51A1 GLN 86 HE21 -0.06 0.02 -0.07 -0.04 6.97 6.81 2p51A1 GLN 86 HE22 -0.09 0.08 -0.08 -0.04 7.69 7.56 2p51A1 ILE 87 H 0.26 0.59 0.33 -0.55 8.25 8.88 2p51A1 ILE 87 HA 0.10 0.20 1.04 -0.75 4.18 4.76 2p51A1 ILE 87 HB 0.09 -0.05 0.08 -0.04 1.89 1.97 2p51A1 ILE 87 HG12 -0.00 0.03 0.02 -0.04 1.49 1.50 2p51A1 ILE 87 HG13 -0.07 -0.10 -0.32 -0.04 1.21 0.69 2p51A1 ILE 87 HG23 0.19 0.02 -0.19 -0.04 0.93 0.91 2p51A1 ILE 87 HD13 -0.27 0.01 -0.11 -0.04 0.88 0.47 2p51A1 GLY 88 H 0.12 0.77 0.31 -0.55 8.43 9.09 2p51A1 GLY 88 HA2 0.18 0.29 0.97 -0.51 4.01 4.95 2p51A1 GLY 88 HA3 0.10 0.04 0.00 -0.51 4.01 3.63 2p51A1 LEU 89 H 0.33 0.55 0.31 -0.55 8.37 9.02 2p51A1 LEU 89 HA 0.14 0.35 0.99 -0.75 4.35 5.08 2p51A1 LEU 89 HB2 0.37 -0.07 0.13 -0.04 1.64 2.03 2p51A1 LEU 89 HB3 0.09 0.09 -0.03 -0.04 1.64 1.75 2p51A1 LEU 89 HG 0.35 -0.11 -0.31 -0.04 1.64 1.52 2p51A1 LEU 89 HD13 0.18 0.01 -0.10 -0.04 0.93 0.98 2p51A1 LEU 89 HD23 0.27 0.06 -0.07 -0.04 0.89 1.11 2p51A1 ALA 90 H 0.08 0.75 0.30 -0.55 8.40 8.97 2p51A1 ALA 90 HA 0.18 0.10 1.02 -0.75 4.34 4.89 2p51A1 ALA 90 HB3 0.07 0.02 -0.01 -0.04 1.41 1.45 2p51A1 LEU 91 H 0.23 0.17 0.17 -0.55 8.37 8.39 2p51A1 LEU 91 HA 0.06 0.29 0.88 -0.75 4.35 4.83 2p51A1 LEU 91 HB2 0.24 -0.08 0.13 -0.04 1.64 1.89 2p51A1 LEU 91 HB3 0.14 0.08 -0.01 -0.04 1.64 1.81 2p51A1 LEU 91 HG 0.01 0.18 -0.03 -0.04 1.64 1.76 2p51A1 LEU 91 HD13 0.01 -0.04 -0.22 -0.04 0.93 0.63 2p51A1 LEU 91 HD23 0.02 -0.01 -0.08 -0.04 0.89 0.78 2p51A1 SER 92 H 0.15 0.67 0.38 -0.55 8.46 9.11 2p51A1 SER 92 HA 0.17 0.24 0.73 -0.75 4.49 4.86 2p51A1 SER 92 HB2 0.33 0.00 -0.04 -0.04 3.95 4.19 2p51A1 SER 92 HB3 -0.02 0.00 -0.13 -0.04 3.93 3.74 2p51A1 ASP 93 H 0.20 0.59 0.25 -0.55 8.40 8.90 2p51A1 ASP 93 HA 0.04 0.23 0.88 -0.75 4.63 5.03 2p51A1 ASP 93 HB2 -0.11 0.01 0.31 -0.04 2.71 2.88 2p51A1 ASP 93 HB3 -0.23 0.17 0.23 -0.04 2.70 2.83 2p51A1 GLU 94 H 0.02 0.23 0.18 -0.55 8.60 8.49 2p51A1 GLU 94 HA 0.27 0.15 0.33 -0.75 4.29 4.28 2p51A1 GLU 94 HB2 0.05 -0.02 0.11 -0.04 2.09 2.19 2p51A1 GLU 94 HB3 0.12 0.03 0.13 -0.04 1.99 2.24 2p51A1 GLU 94 HG2 0.07 -0.02 0.06 -0.04 2.34 2.42 2p51A1 GLU 94 HG3 0.06 0.03 0.07 -0.04 2.34 2.45 2p51A1 GLU 95 H -0.06 -0.04 -0.43 -0.55 8.60 7.53 2p51A1 GLU 95 HA -0.01 0.28 0.80 -0.75 4.29 4.61 2p51A1 GLU 95 HB2 -0.05 -0.06 0.05 -0.04 2.09 1.99 2p51A1 GLU 95 HB3 -0.05 0.02 0.17 -0.04 1.99 2.08 2p51A1 GLU 95 HG2 0.02 -0.05 -0.27 -0.04 2.34 2.00 2p51A1 GLU 95 HG3 -0.00 -0.02 -0.01 -0.04 2.34 2.27 2p51A1 GLY 96 H -0.58 0.47 -0.22 -0.55 8.43 7.55 2p51A1 GLY 96 HA2 -1.71 0.07 0.21 -0.51 4.01 2.08 2p51A1 GLY 96 HA3 -0.99 0.11 0.41 -0.51 4.01 3.03 2p51A1 ASN 97 H -0.15 -0.07 -0.19 -0.55 8.53 7.57 2p51A1 ASN 97 HA -0.05 0.15 0.66 -0.75 4.76 4.77 2p51A1 ASN 97 HB2 0.07 -0.09 0.07 -0.04 2.88 2.88 2p51A1 ASN 97 HB3 0.05 0.11 0.01 -0.04 2.79 2.92 2p51A1 ASN 97 HD21 -0.04 0.05 -0.05 -0.04 7.03 6.95 2p51A1 ASN 97 HD22 -0.03 -0.09 -0.02 -0.04 7.74 7.56 2p51A1 ALA 98 H -0.01 0.11 0.20 -0.55 8.40 8.15 2p51A1 ALA 98 HA -0.02 0.30 0.85 -0.75 4.34 4.72 2p51A1 ALA 98 HB3 -0.06 0.02 0.12 -0.04 1.41 1.46 2p51A1 PRO 99 HA -0.41 0.02 0.48 -0.51 4.44 4.02 2p51A1 PRO 99 HB2 -0.24 -0.18 -0.02 -0.04 2.28 1.80 2p51A1 PRO 99 HB3 -0.83 0.04 0.08 -0.04 2.02 1.28 2p51A1 PRO 99 HG2 -0.11 0.09 0.10 -0.04 2.03 2.07 2p51A1 PRO 99 HG3 -0.46 0.04 0.02 -0.04 2.03 1.59 2p51A1 PRO 99 HD2 -0.16 0.29 0.32 -0.04 3.68 4.09 2p51A1 PRO 99 HD3 -0.39 0.14 0.08 -0.04 3.65 3.44 2p51A1 VAL 100 H -0.05 0.12 0.15 -0.55 8.24 7.91 2p51A1 VAL 100 HA -0.07 0.15 0.40 -0.75 4.13 3.85 2p51A1 VAL 100 HB -0.02 -0.04 0.06 -0.04 2.12 2.08 2p51A1 VAL 100 HG13 -0.03 0.00 -0.03 -0.04 0.97 0.87 2p51A1 VAL 100 HG23 0.00 0.01 0.05 -0.04 0.95 0.97 2p51A1 GLU 101 H -0.08 0.01 -0.26 -0.55 8.60 7.72 2p51A1 GLU 101 HA -0.07 0.02 0.32 -0.75 4.29 3.81 2p51A1 GLU 101 HB2 -0.01 0.02 -0.06 -0.04 2.09 2.00 2p51A1 GLU 101 HB3 0.00 0.00 -0.09 -0.04 1.99 1.86 2p51A1 GLU 101 HG2 0.07 0.02 -0.03 -0.04 2.34 2.37 2p51A1 GLU 101 HG3 0.01 -0.01 -0.00 -0.04 2.34 2.29 2p51A1 ALA 102 H -0.23 0.35 -0.49 -0.55 8.40 7.47 2p51A1 ALA 102 HA -0.37 0.14 0.46 -0.75 4.34 3.82 2p51A1 ALA 102 HB3 -1.20 0.01 -0.16 -0.04 1.41 0.02 2p51A1 CYS 103 H -0.24 0.29 0.28 -0.55 8.50 8.27 2p51A1 CYS 103 HA -0.12 0.13 0.73 -0.75 4.58 4.56 2p51A1 CYS 103 HB2 -0.12 0.05 0.10 -0.04 2.97 2.96 2p51A1 CYS 103 HB3 -0.07 -0.06 0.09 -0.04 2.97 2.90 2p51A1 THR 104 H -0.36 0.40 0.15 -0.55 8.28 7.93 2p51A1 THR 104 HA 0.06 0.14 0.66 -0.75 4.39 4.49 2p51A1 THR 104 HB -0.02 0.14 -0.27 -0.04 4.32 4.14 2p51A1 THR 104 HG23 -0.09 -0.02 -0.34 -0.04 1.22 0.73 2p51A1 TRP 105 H 0.40 0.75 0.36 -0.55 7.97 8.95 2p51A1 TRP 105 HA -0.17 0.20 1.07 -0.75 4.62 4.98 2p51A1 TRP 105 HB2 0.08 0.06 0.19 -0.04 3.23 3.52 2p51A1 TRP 105 HB3 -0.49 -0.05 -0.05 -0.04 3.23 2.60 2p51A1 TRP 105 HD1 -0.32 -0.03 -0.08 -0.04 7.22 6.75 2p51A1 TRP 105 HE1 -0.06 -0.03 -0.04 -0.04 10.20 10.03 2p51A1 TRP 105 HE3 0.00 0.14 0.02 -0.04 7.59 7.71 2p51A1 TRP 105 HZ2 -0.03 -0.02 -0.16 -0.04 7.44 7.19 2p51A1 TRP 105 HZ3 -0.06 0.03 -0.05 -0.04 7.13 7.01 2p51A1 TRP 105 HH2 -0.07 0.01 -0.13 -0.04 7.19 6.96 2p51A1 GLN 106 H -0.18 0.82 0.27 -0.55 8.47 8.83 2p51A1 GLN 106 HA 0.01 0.18 0.99 -0.75 4.36 4.78 2p51A1 GLN 106 HB2 -0.09 -0.09 -0.14 -0.04 2.15 1.79 2p51A1 GLN 106 HB3 -0.19 0.04 0.05 -0.04 2.02 1.89 2p51A1 GLN 106 HG2 -0.23 0.05 -0.21 -0.04 2.40 1.96 2p51A1 GLN 106 HG3 -0.09 -0.02 -0.12 -0.04 2.39 2.12 2p51A1 GLN 106 HE21 -0.06 0.08 -0.08 -0.04 6.97 6.87 2p51A1 GLN 106 HE22 -0.13 0.03 -0.07 -0.04 7.69 7.48 2p51A1 PHE 107 H 0.19 0.77 0.32 -0.55 8.34 9.07 2p51A1 PHE 107 HA -0.39 0.09 0.74 -0.75 4.62 4.30 2p51A1 PHE 107 HB2 -0.20 -0.04 0.22 -0.04 3.15 3.09 2p51A1 PHE 107 HB3 -0.79 0.01 -0.05 -0.04 3.06 2.19 2p51A1 PHE 107 HD2 -0.01 0.07 -0.07 -0.04 7.28 7.23 2p51A1 PHE 107 HE2 0.13 0.02 -0.09 -0.04 7.38 7.41 2p51A1 PHE 107 HZ -0.14 0.06 -0.13 -0.04 7.32 7.08 2p51A1 ASN 108 H -0.77 0.66 0.38 -0.55 8.53 8.25 2p51A1 ASN 108 HA -0.30 0.20 1.00 -0.75 4.76 4.90 2p51A1 ASN 108 HB2 -2.07 0.06 0.28 -0.04 2.88 1.11 2p51A1 ASN 108 HB3 -1.64 -0.00 0.06 -0.04 2.79 1.17 2p51A1 ASN 108 HD21 -0.74 -0.06 -0.01 -0.04 7.03 6.18 2p51A1 ASN 108 HD22 -2.07 0.11 0.01 -0.04 7.74 5.75 2p51A1 PHE 109 H 0.25 0.72 0.29 -0.55 8.34 9.05 2p51A1 PHE 109 HA 0.06 -0.00 0.75 -0.75 4.62 4.67 2p51A1 PHE 109 HB2 0.08 0.05 -0.19 -0.04 3.15 3.05 2p51A1 PHE 109 HB3 0.11 0.12 -0.00 -0.04 3.06 3.24 2p51A1 PHE 109 HD2 -0.02 0.09 -0.37 -0.04 7.28 6.94 2p51A1 PHE 109 HE2 -0.20 -0.06 -0.19 -0.04 7.38 6.89 2p51A1 PHE 109 HZ -1.68 0.02 -0.14 -0.04 7.32 5.47 2p51A1 THR 110 H 0.32 0.57 0.09 -0.55 8.28 8.71 2p51A1 THR 110 HA 0.30 0.29 0.44 -0.75 4.39 4.66 2p51A1 THR 110 HB 0.20 0.07 -0.19 -0.04 4.32 4.35 2p51A1 THR 110 HG23 0.20 -0.02 -0.00 -0.04 1.22 1.35 2p51A1 PHE 111 H 0.34 0.39 0.07 -0.55 8.34 8.58 2p51A1 PHE 111 HA 0.17 0.08 0.57 -0.75 4.62 4.68 2p51A1 PHE 111 HB2 0.21 0.24 -0.39 -0.04 3.15 3.17 2p51A1 PHE 111 HB3 0.26 -0.12 -0.11 -0.04 3.06 3.05 2p51A1 PHE 111 HD2 0.15 0.06 -0.17 -0.04 7.28 7.28 2p51A1 PHE 111 HE2 -0.04 0.01 -0.07 -0.04 7.38 7.23 2p51A1 PHE 111 HZ 0.23 0.14 -0.09 -0.04 7.32 7.56 2p51A1 ASN 112 H -0.65 0.27 0.06 -0.55 8.53 7.66 2p51A1 ASN 112 HA 0.08 0.15 0.89 -0.75 4.76 5.12 2p51A1 ASN 112 HB2 0.00 0.14 -0.13 -0.04 2.88 2.86 2p51A1 ASN 112 HB3 -0.08 -0.01 0.14 -0.04 2.79 2.80 2p51A1 ASN 112 HD21 0.03 0.02 0.02 -0.04 7.03 7.06 2p51A1 ASN 112 HD22 0.03 0.11 0.01 -0.04 7.74 7.85 2p51A1 LEU 113 H 0.10 0.21 0.10 -0.55 8.37 8.23 2p51A1 LEU 113 HA 0.12 0.14 0.31 -0.75 4.35 4.17 2p51A1 LEU 113 HB2 0.02 -0.02 0.05 -0.04 1.64 1.64 2p51A1 LEU 113 HB3 -0.02 0.06 0.01 -0.04 1.64 1.65 2p51A1 LEU 113 HG -0.03 -0.03 -0.04 -0.04 1.64 1.50 2p51A1 LEU 113 HD13 -0.26 -0.00 -0.03 -0.04 0.93 0.60 2p51A1 LEU 113 HD23 -0.75 0.01 -0.07 -0.04 0.89 0.04 2p51A1 GLN 114 H 0.05 -0.02 -0.25 -0.55 8.47 7.70 2p51A1 GLN 114 HA 0.06 0.17 0.65 -0.75 4.36 4.48 2p51A1 GLN 114 HB2 0.03 -0.04 0.05 -0.04 2.15 2.15 2p51A1 GLN 114 HB3 0.02 0.06 0.02 -0.04 2.02 2.08 2p51A1 GLN 114 HG2 0.03 0.04 0.00 -0.04 2.40 2.43 2p51A1 GLN 114 HG3 0.04 0.05 -0.04 -0.04 2.39 2.39 2p51A1 GLN 114 HE21 0.05 -0.01 0.05 -0.04 6.97 7.02 2p51A1 GLN 114 HE22 0.04 0.06 0.03 -0.04 7.69 7.78 2p51A1 ASP 115 H -0.00 -0.01 -0.18 -0.55 8.40 7.67 2p51A1 ASP 115 HA -0.01 0.23 0.72 -0.75 4.63 4.81 2p51A1 ASP 115 HB2 -0.04 -0.04 0.03 -0.04 2.71 2.63 2p51A1 ASP 115 HB3 -0.02 0.03 0.00 -0.04 2.70 2.67 2p51A1 ASP 116 H -0.05 0.38 0.09 -0.55 8.40 8.27 2p51A1 ASP 116 HA -0.08 0.11 0.53 -0.75 4.63 4.43 2p51A1 ASP 116 HB2 -0.59 0.05 0.11 -0.04 2.71 2.23 2p51A1 ASP 116 HB3 -0.36 0.09 0.09 -0.04 2.70 2.48 2p51A1 MET 117 H 0.01 0.13 0.22 -0.55 8.47 8.28 2p51A1 MET 117 HA -0.19 0.15 0.67 -0.75 4.52 4.40 2p51A1 MET 117 HB2 0.06 0.00 0.09 -0.04 2.15 2.26 2p51A1 MET 117 HB3 -0.00 0.00 0.02 -0.04 2.03 2.00 2p51A1 MET 117 HG2 -0.05 0.02 0.01 -0.04 2.63 2.57 2p51A1 MET 117 HG3 -0.02 -0.01 0.10 -0.04 2.56 2.60 2p51A1 MET 117 HE3 0.03 -0.01 0.10 -0.04 2.10 2.18 2p51A1 TYR 118 H -0.21 0.30 0.19 -0.55 8.29 8.01 2p51A1 TYR 118 HA 0.15 0.10 0.50 -0.75 4.56 4.55 2p51A1 TYR 118 HB2 0.09 -0.02 -0.04 -0.04 3.06 3.05 2p51A1 TYR 118 HB3 0.33 0.15 -0.07 -0.04 2.98 3.35 2p51A1 TYR 118 HD2 0.13 -0.04 -0.68 -0.04 7.15 6.52 2p51A1 TYR 118 HE2 -0.00 0.00 -0.03 -0.04 6.85 6.78 2p51A1 ALA 119 H 0.20 0.63 0.20 -0.55 8.40 8.88 2p51A1 ALA 119 HA 0.09 0.22 0.82 -0.75 4.34 4.72 2p51A1 ALA 119 HB3 0.07 -0.00 0.09 -0.04 1.41 1.53 2p51A1 PRO 120 HA 0.21 0.09 0.41 -0.51 4.44 4.63 2p51A1 PRO 120 HB2 0.05 -0.01 0.07 -0.04 2.28 2.35 2p51A1 PRO 120 HB3 0.08 0.06 0.08 -0.04 2.02 2.20 2p51A1 PRO 120 HG2 0.04 0.06 0.12 -0.04 2.03 2.21 2p51A1 PRO 120 HG3 0.10 0.11 0.10 -0.04 2.03 2.30 2p51A1 PRO 120 HD2 0.05 0.06 0.27 -0.04 3.68 4.02 2p51A1 PRO 120 HD3 0.05 0.39 0.35 -0.04 3.65 4.40 2p51A1 GLU 121 H 0.04 0.18 -0.17 -0.55 8.60 8.10 2p51A1 GLU 121 HA -0.01 0.09 0.39 -0.75 4.29 4.01 2p51A1 GLU 121 HB2 0.00 -0.01 0.05 -0.04 2.09 2.09 2p51A1 GLU 121 HB3 -0.02 0.03 -0.00 -0.04 1.99 1.96 2p51A1 GLU 121 HG2 -0.00 0.05 0.03 -0.04 2.34 2.37 2p51A1 GLU 121 HG3 0.00 0.02 0.04 -0.04 2.34 2.36 2p51A1 SER 122 H 0.02 0.24 -0.33 -0.55 8.46 7.84 2p51A1 SER 122 HA -0.06 0.04 0.41 -0.75 4.49 4.13 2p51A1 SER 122 HB2 0.02 0.22 -0.02 -0.04 3.95 4.13 2p51A1 SER 122 HB3 -0.05 0.03 -0.05 -0.04 3.93 3.82 2p51A1 ILE 123 H -0.06 0.40 -0.16 -0.55 8.25 7.89 2p51A1 ILE 123 HA -0.14 0.02 0.42 -0.75 4.18 3.72 2p51A1 ILE 123 HB -0.25 0.13 0.11 -0.04 1.89 1.85 2p51A1 ILE 123 HG12 -0.33 0.11 -0.09 -0.04 1.49 1.14 2p51A1 ILE 123 HG13 -1.39 0.04 -0.08 -0.04 1.21 -0.26 2p51A1 ILE 123 HG23 -0.73 -0.01 -0.10 -0.04 0.93 0.04 2p51A1 ILE 123 HD13 -0.50 -0.02 -0.11 -0.04 0.88 0.21 2p51A1 GLU 124 H -0.06 0.50 -0.21 -0.55 8.60 8.29 2p51A1 GLU 124 HA -0.04 0.03 0.42 -0.75 4.29 3.94 2p51A1 GLU 124 HB2 -0.03 0.02 0.09 -0.04 2.09 2.12 2p51A1 GLU 124 HB3 -0.04 0.09 0.14 -0.04 1.99 2.14 2p51A1 GLU 124 HG2 -0.03 -0.01 -0.02 -0.04 2.34 2.25 2p51A1 GLU 124 HG3 -0.04 -0.01 -0.19 -0.04 2.34 2.06 2p51A1 LEU 125 H -0.07 0.54 -0.10 -0.55 8.37 8.19 2p51A1 LEU 125 HA -0.12 0.02 0.44 -0.75 4.35 3.93 2p51A1 LEU 125 HB2 -0.16 0.01 0.13 -0.04 1.64 1.58 2p51A1 LEU 125 HB3 -0.17 0.07 0.20 -0.04 1.64 1.70 2p51A1 LEU 125 HG -0.81 0.03 -0.18 -0.04 1.64 0.63 2p51A1 LEU 125 HD13 -0.29 -0.01 0.01 -0.04 0.93 0.61 2p51A1 LEU 125 HD23 -0.38 -0.02 -0.00 -0.04 0.89 0.44 2p51A1 LEU 126 H -0.03 0.65 -0.14 -0.55 8.37 8.30 2p51A1 LEU 126 HA 0.01 0.10 0.45 -0.75 4.35 4.16 2p51A1 LEU 126 HB2 0.18 0.07 0.13 -0.04 1.64 1.98 2p51A1 LEU 126 HB3 -0.03 -0.10 -0.02 -0.04 1.64 1.45 2p51A1 LEU 126 HG 0.02 0.07 0.07 -0.04 1.64 1.76 2p51A1 LEU 126 HD13 -0.06 -0.01 -0.16 -0.04 0.93 0.65 2p51A1 LEU 126 HD23 0.05 -0.01 0.03 -0.04 0.89 0.91 2p51A1 THR 127 H 0.11 0.65 -0.13 -0.55 8.28 8.36 2p51A1 THR 127 HA 0.12 0.08 0.56 -0.75 4.39 4.39 2p51A1 THR 127 HB 0.03 0.08 0.20 -0.04 4.32 4.60 2p51A1 THR 127 HG23 0.07 -0.02 -0.04 -0.04 1.22 1.19 2p51A1 LYS 128 H -0.01 0.64 -0.07 -0.55 8.42 8.43 2p51A1 LYS 128 HA -0.01 0.01 0.43 -0.75 4.32 4.00 2p51A1 LYS 128 HB2 -0.05 0.09 0.14 -0.04 1.87 2.01 2p51A1 LYS 128 HB3 -0.03 -0.05 0.05 -0.04 1.79 1.71 2p51A1 LYS 128 HG2 -0.01 -0.04 0.04 -0.04 1.46 1.41 2p51A1 LYS 128 HG3 -0.02 0.11 0.08 -0.04 1.46 1.59 2p51A1 LYS 128 HD2 -0.04 -0.02 -0.02 -0.04 1.69 1.57 2p51A1 LYS 128 HD3 -0.03 -0.01 0.01 -0.04 1.68 1.61 2p51A1 LYS 128 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.90 2p51A1 LYS 128 HE3 -0.02 -0.00 -0.00 -0.04 2.99 2.93 2p51A1 SER 129 H -0.03 0.27 -0.52 -0.55 8.46 7.63 2p51A1 SER 129 HA -0.02 0.04 0.48 -0.75 4.49 4.24 2p51A1 SER 129 HB2 0.01 -0.02 0.14 -0.04 3.95 4.03 2p51A1 SER 129 HB3 0.03 0.04 0.03 -0.04 3.93 3.99 2p51A1 GLY 130 H -0.01 0.41 -0.43 -0.55 8.43 7.86 2p51A1 GLY 130 HA2 0.00 0.03 0.19 -0.51 4.01 3.72 2p51A1 GLY 130 HA3 -0.01 0.10 0.70 -0.51 4.01 4.29 2p51A1 ILE 131 H -0.06 0.54 0.07 -0.55 8.25 8.24 2p51A1 ILE 131 HA -0.08 -0.02 0.49 -0.75 4.18 3.83 2p51A1 ILE 131 HB -0.40 0.00 -0.17 -0.04 1.89 1.28 2p51A1 ILE 131 HG12 -0.14 0.18 0.00 -0.04 1.49 1.50 2p51A1 ILE 131 HG13 -0.34 -0.06 -0.07 -0.04 1.21 0.70 2p51A1 ILE 131 HG23 -1.33 -0.04 -0.29 -0.04 0.93 -0.78 2p51A1 ILE 131 HD13 -0.16 -0.01 -0.07 -0.04 0.88 0.59 2p51A1 ASP 132 H 0.11 0.16 0.12 -0.55 8.40 8.24 2p51A1 ASP 132 HA 0.06 0.15 0.74 -0.75 4.63 4.83 2p51A1 ASP 132 HB2 0.08 0.19 0.09 -0.04 2.71 3.03 2p51A1 ASP 132 HB3 0.19 -0.02 0.22 -0.04 2.70 3.06 2p51A1 PHE 133 H 0.18 0.37 -0.00 -0.55 8.34 8.33 2p51A1 PHE 133 HA 0.08 0.09 0.24 -0.75 4.62 4.28 2p51A1 PHE 133 HB2 0.01 0.04 0.09 -0.04 3.15 3.25 2p51A1 PHE 133 HB3 0.05 -0.01 -0.03 -0.04 3.06 3.03 2p51A1 PHE 133 HD2 -0.03 0.04 -0.05 -0.04 7.28 7.19 2p51A1 PHE 133 HE2 -0.44 0.05 -0.09 -0.04 7.38 6.87 2p51A1 PHE 133 HZ -0.34 -0.01 -0.08 -0.04 7.32 6.85 2p51A1 LYS 134 H 0.16 0.12 -0.19 -0.55 8.42 7.96 2p51A1 LYS 134 HA 0.13 0.09 0.41 -0.75 4.32 4.20 2p51A1 LYS 134 HB2 0.07 0.02 0.10 -0.04 1.87 2.02 2p51A1 LYS 134 HB3 0.05 -0.01 0.06 -0.04 1.79 1.84 2p51A1 LYS 134 HG2 0.01 0.00 -0.14 -0.04 1.46 1.29 2p51A1 LYS 134 HG3 0.04 0.01 0.07 -0.04 1.46 1.54 2p51A1 LYS 134 HD2 0.00 0.01 -0.03 -0.04 1.69 1.63 2p51A1 LYS 134 HD3 0.01 0.03 -0.01 -0.04 1.68 1.67 2p51A1 LYS 134 HE2 0.02 0.03 0.00 -0.04 2.99 3.00 2p51A1 LYS 134 HE3 0.04 -0.03 0.02 -0.04 2.99 2.97 2p51A1 LYS 135 H 0.07 0.13 -0.26 -0.55 8.42 7.81 2p51A1 LYS 135 HA -0.14 0.05 0.47 -0.75 4.32 3.95 2p51A1 LYS 135 HB2 -0.20 -0.03 0.10 -0.04 1.87 1.71 2p51A1 LYS 135 HB3 -0.22 0.10 0.07 -0.04 1.79 1.69 2p51A1 LYS 135 HG2 -1.52 -0.03 -0.06 -0.04 1.46 -0.18 2p51A1 LYS 135 HG3 -0.55 -0.01 0.06 -0.04 1.46 0.93 2p51A1 LYS 135 HD2 -0.46 0.02 0.01 -0.04 1.69 1.22 2p51A1 LYS 135 HD3 -0.81 0.02 -0.01 -0.04 1.68 0.85 2p51A1 LYS 135 HE2 -2.48 -0.03 -0.04 -0.04 2.99 0.40 2p51A1 LYS 135 HE3 -0.81 -0.00 -0.01 -0.04 2.99 2.13 2p51A1 HIS 136 H 0.40 0.42 -0.12 -0.55 8.41 8.57 2p51A1 HIS 136 HA 0.48 -0.00 0.35 -0.75 4.63 4.71 2p51A1 HIS 136 HB2 0.23 0.04 0.11 -0.04 3.26 3.60 2p51A1 HIS 136 HB3 0.27 0.16 0.07 -0.04 3.20 3.66 2p51A1 HIS 136 HD2 0.10 0.23 -0.13 -0.04 6.97 7.13 2p51A1 HIS 136 HE1 -0.18 0.08 0.10 -0.04 7.75 7.71 2p51A1 GLN 137 H 0.24 0.33 -0.31 -0.55 8.47 8.18 2p51A1 GLN 137 HA 0.20 0.10 0.60 -0.75 4.36 4.50 2p51A1 GLN 137 HB2 0.19 -0.02 0.27 -0.04 2.15 2.55 2p51A1 GLN 137 HB3 0.12 0.05 0.23 -0.04 2.02 2.37 2p51A1 GLN 137 HG2 0.08 0.03 -0.02 -0.04 2.40 2.45 2p51A1 GLN 137 HG3 0.10 -0.01 0.15 -0.04 2.39 2.59 2p51A1 GLN 137 HE21 0.04 -0.03 0.03 -0.04 6.97 6.97 2p51A1 GLN 137 HE22 0.05 0.05 0.01 -0.04 7.69 7.76 2p51A1 GLU 138 H 0.07 0.31 -0.08 -0.55 8.60 8.35 2p51A1 GLU 138 HA 0.04 0.10 0.53 -0.75 4.29 4.20 2p51A1 GLU 138 HB2 -0.07 -0.02 0.19 -0.04 2.09 2.16 2p51A1 GLU 138 HB3 -0.04 -0.04 -0.02 -0.04 1.99 1.85 2p51A1 GLU 138 HG2 0.01 0.09 0.07 -0.04 2.34 2.47 2p51A1 GLU 138 HG3 -0.03 -0.06 0.01 -0.04 2.34 2.22 2p51A1 VAL 139 H 0.01 0.75 0.11 -0.55 8.24 8.56 2p51A1 VAL 139 HA 0.07 0.26 0.93 -0.75 4.13 4.64 2p51A1 VAL 139 HB 0.05 -0.26 0.25 -0.04 2.12 2.12 2p51A1 VAL 139 HG13 -0.07 0.01 -0.12 -0.04 0.97 0.75 2p51A1 VAL 139 HG23 -0.42 0.00 0.01 -0.04 0.95 0.49 2p51A1 GLY 140 H 0.20 0.34 -0.17 -0.55 8.43 8.25 2p51A1 GLY 140 HA2 0.27 0.07 0.53 -0.51 4.01 4.37 2p51A1 GLY 140 HA3 0.24 0.16 0.05 -0.51 4.01 3.95 2p51A1 ILE 141 H -0.12 0.74 0.48 -0.55 8.25 8.80 2p51A1 ILE 141 HA 0.09 0.02 0.50 -0.75 4.18 4.04 2p51A1 ILE 141 HB -0.62 -0.01 -0.10 -0.04 1.89 1.13 2p51A1 ILE 141 HG12 -0.00 -0.01 -0.30 -0.04 1.49 1.14 2p51A1 ILE 141 HG13 -0.13 -0.03 -0.10 -0.04 1.21 0.92 2p51A1 ILE 141 HG23 0.17 -0.01 -0.29 -0.04 0.93 0.76 2p51A1 ILE 141 HD13 -0.35 -0.02 -0.23 -0.04 0.88 0.24 2p51A1 GLU 142 H 0.15 0.12 0.19 -0.55 8.60 8.52 2p51A1 GLU 142 HA 0.21 0.25 0.85 -0.75 4.29 4.85 2p51A1 GLU 142 HB2 0.14 -0.07 0.23 -0.04 2.09 2.35 2p51A1 GLU 142 HB3 0.13 -0.06 0.08 -0.04 1.99 2.11 2p51A1 GLU 142 HG2 0.12 0.06 0.06 -0.04 2.34 2.54 2p51A1 GLU 142 HG3 0.10 0.02 0.07 -0.04 2.34 2.49 2p51A1 PRO 143 HA 0.33 0.03 0.32 -0.51 4.44 4.60 2p51A1 PRO 143 HB2 0.08 0.07 0.04 -0.04 2.28 2.43 2p51A1 PRO 143 HB3 -0.04 0.05 0.06 -0.04 2.02 2.05 2p51A1 PRO 143 HG2 0.05 0.09 0.09 -0.04 2.03 2.22 2p51A1 PRO 143 HG3 -0.11 0.04 0.06 -0.04 2.03 1.97 2p51A1 PRO 143 HD2 0.15 0.10 0.23 -0.04 3.68 4.13 2p51A1 PRO 143 HD3 0.28 0.29 0.33 -0.04 3.65 4.50 2p51A1 ALA 144 H 0.13 0.10 -0.30 -0.55 8.40 7.79 2p51A1 ALA 144 HA 0.09 0.24 0.47 -0.75 4.34 4.38 2p51A1 ALA 144 HB3 0.07 0.02 0.04 -0.04 1.41 1.50 2p51A1 ASP 145 H 0.15 0.16 -0.14 -0.55 8.40 8.02 2p51A1 ASP 145 HA 0.08 0.08 0.49 -0.75 4.63 4.52 2p51A1 ASP 145 HB2 0.16 0.07 0.17 -0.04 2.71 3.07 2p51A1 ASP 145 HB3 0.11 -0.01 0.02 -0.04 2.70 2.79 2p51A1 PHE 146 H 0.35 0.37 -0.20 -0.55 8.34 8.31 2p51A1 PHE 146 HA 0.06 0.00 0.42 -0.75 4.62 4.34 2p51A1 PHE 146 HB2 0.26 -0.07 -0.04 -0.04 3.15 3.26 2p51A1 PHE 146 HB3 0.27 0.16 0.07 -0.04 3.06 3.52 2p51A1 PHE 146 HD2 -0.06 0.03 -0.11 -0.04 7.28 7.10 2p51A1 PHE 146 HE2 -0.82 0.01 -0.10 -0.04 7.38 6.43 2p51A1 PHE 146 HZ -0.21 0.02 -0.11 -0.04 7.32 6.98 2p51A1 ALA 147 H 0.18 0.56 -0.22 -0.55 8.40 8.37 2p51A1 ALA 147 HA -0.21 -0.05 0.30 -0.75 4.34 3.63 2p51A1 ALA 147 HB3 0.04 0.00 -0.06 -0.04 1.41 1.35 2p51A1 GLU 148 H 0.00 0.52 -0.12 -0.55 8.60 8.46 2p51A1 GLU 148 HA -0.03 0.05 0.45 -0.75 4.29 4.00 2p51A1 GLU 148 HB2 0.01 0.12 0.19 -0.04 2.09 2.37 2p51A1 GLU 148 HB3 -0.01 -0.02 -0.05 -0.04 1.99 1.87 2p51A1 GLU 148 HG2 -0.01 -0.02 0.03 -0.04 2.34 2.31 2p51A1 GLU 148 HG3 0.00 0.03 0.06 -0.04 2.34 2.39 2p51A1 LEU 149 H -0.08 0.35 -0.30 -0.55 8.37 7.80 2p51A1 LEU 149 HA -0.06 0.04 0.40 -0.75 4.35 3.98 2p51A1 LEU 149 HB2 -0.13 0.09 0.11 -0.04 1.64 1.67 2p51A1 LEU 149 HB3 -0.07 -0.04 -0.03 -0.04 1.64 1.45 2p51A1 LEU 149 HG 0.00 0.13 0.04 -0.04 1.64 1.76 2p51A1 LEU 149 HD13 0.05 -0.04 -0.11 -0.04 0.93 0.80 2p51A1 LEU 149 HD23 -0.01 -0.00 -0.06 -0.04 0.89 0.78 2p51A1 LEU 150 H -0.38 0.64 -0.06 -0.55 8.37 8.02 2p51A1 LEU 150 HA -0.24 -0.01 0.39 -0.75 4.35 3.73 2p51A1 LEU 150 HB2 -1.01 -0.03 0.03 -0.04 1.64 0.59 2p51A1 LEU 150 HB3 -0.39 0.09 0.10 -0.04 1.64 1.39 2p51A1 LEU 150 HG -0.07 0.01 -0.23 -0.04 1.64 1.31 2p51A1 LEU 150 HD13 0.05 -0.02 -0.03 -0.04 0.93 0.89 2p51A1 LEU 150 HD23 0.03 -0.01 -0.09 -0.04 0.89 0.78 2p51A1 ILE 151 H -0.13 0.68 -0.12 -0.55 8.25 8.13 2p51A1 ILE 151 HA -0.04 -0.02 0.32 -0.75 4.18 3.68 2p51A1 ILE 151 HB -0.04 0.10 0.12 -0.04 1.89 2.04 2p51A1 ILE 151 HG12 0.01 -0.08 0.01 -0.04 1.49 1.39 2p51A1 ILE 151 HG13 -0.09 0.07 0.09 -0.04 1.21 1.24 2p51A1 ILE 151 HG23 0.01 -0.02 -0.08 -0.04 0.93 0.80 2p51A1 ILE 151 HD13 -0.02 0.00 -0.02 -0.04 0.88 0.80 2p51A1 GLY 152 H -0.06 0.36 -0.34 -0.55 8.43 7.84 2p51A1 GLY 152 HA2 -0.03 0.09 0.54 -0.51 4.01 4.09 2p51A1 GLY 152 HA3 -0.03 -0.02 0.31 -0.51 4.01 3.76 2p51A1 SER 153 H -0.05 0.45 -0.45 -0.55 8.46 7.86 2p51A1 SER 153 HA -0.04 0.05 0.23 -0.75 4.49 3.98 2p51A1 SER 153 HB2 -0.06 -0.06 0.04 -0.04 3.95 3.83 2p51A1 SER 153 HB3 -0.08 0.13 0.10 -0.04 3.93 4.04 2p51A1 GLY 154 H -0.01 0.20 -0.19 -0.55 8.43 7.88 2p51A1 GLY 154 HA2 0.00 0.05 0.27 -0.51 4.01 3.82 2p51A1 GLY 154 HA3 0.00 0.15 0.73 -0.51 4.01 4.38 2p51A1 LEU 155 H 0.05 0.04 -0.13 -0.55 8.37 7.78 2p51A1 LEU 155 HA 0.12 0.17 0.52 -0.75 4.35 4.39 2p51A1 LEU 155 HB2 0.17 -0.02 0.04 -0.04 1.64 1.78 2p51A1 LEU 155 HB3 0.48 -0.02 -0.10 -0.04 1.64 1.96 2p51A1 LEU 155 HG -0.07 0.07 -0.08 -0.04 1.64 1.52 2p51A1 LEU 155 HD13 -0.04 -0.00 -0.22 -0.04 0.93 0.63 2p51A1 LEU 155 HD23 -0.09 -0.02 -0.09 -0.04 0.89 0.64 2p51A1 VAL 156 H 0.07 0.05 -0.01 -0.55 8.24 7.80 2p51A1 VAL 156 HA 0.02 0.29 1.00 -0.75 4.13 4.69 2p51A1 VAL 156 HB -0.32 0.06 0.18 -0.04 2.12 2.00 2p51A1 VAL 156 HG13 -0.27 -0.03 -0.15 -0.04 0.97 0.47 2p51A1 VAL 156 HG23 -0.04 0.01 -0.05 -0.04 0.95 0.83 2p51A1 LEU 157 H -0.23 0.71 0.31 -0.55 8.37 8.62 2p51A1 LEU 157 HA -0.22 0.25 0.40 -0.75 4.35 4.03 2p51A1 LEU 157 HB2 -0.12 0.18 0.07 -0.04 1.64 1.74 2p51A1 LEU 157 HB3 -0.18 -0.07 0.21 -0.04 1.64 1.56 2p51A1 LEU 157 HG -0.27 -0.09 -0.13 -0.04 1.64 1.12 2p51A1 LEU 157 HD13 -0.15 0.01 -0.04 -0.04 0.93 0.70 2p51A1 LEU 157 HD23 -0.63 0.04 -0.08 -0.04 0.89 0.19 2p51A1 GLN 158 H -0.00 0.21 -0.41 -0.55 8.47 7.72 2p51A1 GLN 158 HA -0.02 0.13 1.07 -0.75 4.36 4.79 2p51A1 GLN 158 HB2 0.06 0.14 -0.09 -0.04 2.15 2.22 2p51A1 GLN 158 HB3 0.02 -0.17 -0.04 -0.04 2.02 1.79 2p51A1 GLN 158 HG2 -0.01 0.16 -0.48 -0.04 2.40 2.03 2p51A1 GLN 158 HG3 0.01 0.13 -0.08 -0.04 2.39 2.41 2p51A1 GLN 158 HE21 -0.02 -0.05 0.04 -0.04 6.97 6.90 2p51A1 GLN 158 HE22 -0.00 -0.14 0.06 -0.04 7.69 7.57 2p51A1 GLU 159 H -0.01 0.18 0.11 -0.55 8.60 8.33 2p51A1 GLU 159 HA 0.02 0.11 0.33 -0.75 4.29 4.00 2p51A1 GLU 159 HB2 -0.01 0.03 0.06 -0.04 2.09 2.12 2p51A1 GLU 159 HB3 -0.02 -0.01 0.13 -0.04 1.99 2.05 2p51A1 GLU 159 HG2 0.00 -0.04 -0.06 -0.04 2.34 2.20 2p51A1 GLU 159 HG3 0.02 0.11 -0.64 -0.04 2.34 1.78 2p51A1 GLU 160 H 0.02 0.00 -0.39 -0.55 8.60 7.69 2p51A1 GLU 160 HA 0.04 0.05 0.47 -0.75 4.29 4.09 2p51A1 GLU 160 HB2 0.03 0.05 -0.04 -0.04 2.09 2.09 2p51A1 GLU 160 HB3 0.02 0.03 0.07 -0.04 1.99 2.08 2p51A1 GLU 160 HG2 0.01 0.01 0.02 -0.04 2.34 2.33 2p51A1 GLU 160 HG3 0.01 -0.02 -0.01 -0.04 2.34 2.29 2p51A1 VAL 161 H 0.08 0.37 -0.36 -0.55 8.24 7.78 2p51A1 VAL 161 HA 0.05 0.33 0.97 -0.75 4.13 4.72 2p51A1 VAL 161 HB 0.19 0.07 0.14 -0.04 2.12 2.47 2p51A1 VAL 161 HG13 -0.04 -0.01 -0.09 -0.04 0.97 0.79 2p51A1 VAL 161 HG23 0.05 -0.02 -0.05 -0.04 0.95 0.88 2p51A1 THR 162 H 0.03 0.54 0.40 -0.55 8.28 8.70 2p51A1 THR 162 HA 0.15 0.29 0.97 -0.75 4.39 5.05 2p51A1 THR 162 HB 0.05 -0.07 0.12 -0.04 4.32 4.39 2p51A1 THR 162 HG23 0.12 -0.03 -0.22 -0.04 1.22 1.04 2p51A1 TRP 163 H 0.40 0.66 0.44 -0.55 7.97 8.92 2p51A1 TRP 163 HA 0.07 0.40 1.09 -0.75 4.62 5.44 2p51A1 TRP 163 HB2 0.23 -0.03 0.17 -0.04 3.23 3.55 2p51A1 TRP 163 HB3 0.15 -0.11 0.00 -0.04 3.23 3.23 2p51A1 TRP 163 HD1 0.19 0.12 -0.13 -0.04 7.22 7.36 2p51A1 TRP 163 HE1 0.15 0.60 0.08 -0.04 10.20 10.99 2p51A1 TRP 163 HE3 0.01 -0.06 -0.08 -0.04 7.59 7.41 2p51A1 TRP 163 HZ2 0.16 -0.02 -0.22 -0.04 7.44 7.31 2p51A1 TRP 163 HZ3 0.12 -0.08 -0.11 -0.04 7.13 7.02 2p51A1 TRP 163 HH2 0.21 -0.06 -0.12 -0.04 7.19 7.18 2p51A1 ILE 164 H 0.04 0.76 0.46 -0.55 8.25 8.96 2p51A1 ILE 164 HA 0.01 0.15 1.03 -0.75 4.18 4.62 2p51A1 ILE 164 HB -0.10 -0.04 0.07 -0.04 1.89 1.78 2p51A1 ILE 164 HG12 -0.24 0.12 -0.31 -0.04 1.49 1.01 2p51A1 ILE 164 HG13 -0.65 0.02 -0.15 -0.04 1.21 0.39 2p51A1 ILE 164 HG23 -0.13 -0.02 -0.08 -0.04 0.93 0.66 2p51A1 ILE 164 HD13 -0.82 0.03 -0.21 -0.04 0.88 -0.17 2p51A1 THR 165 H 0.11 0.47 0.46 -0.55 8.28 8.77 2p51A1 THR 165 HA 0.05 0.33 0.98 -0.75 4.39 5.00 2p51A1 THR 165 HB -0.11 -0.12 0.10 -0.04 4.32 4.15 2p51A1 THR 165 HG23 -0.52 0.04 -0.27 -0.04 1.22 0.44 2p51A1 PHE 166 H 0.17 0.37 0.15 -0.55 8.34 8.48 2p51A1 PHE 166 HA 0.10 -0.19 0.81 -0.75 4.62 4.59 2p51A1 PHE 166 HB2 0.06 0.15 -0.06 -0.04 3.15 3.26 2p51A1 PHE 166 HB3 0.06 0.07 0.13 -0.04 3.06 3.27 2p51A1 PHE 166 HD2 0.07 0.05 -0.08 -0.04 7.28 7.28 2p51A1 PHE 166 HE2 0.04 0.09 -0.07 -0.04 7.38 7.40 2p51A1 PHE 166 HZ -0.01 0.23 0.02 -0.04 7.32 7.52 2p51A1 HIS 167 H -0.28 -0.08 0.16 -0.55 8.41 7.66 2p51A1 HIS 167 HA -0.00 -0.02 0.40 -0.75 4.63 4.26 2p51A1 HIS 167 HB2 -0.51 -0.02 -0.05 -0.04 3.26 2.64 2p51A1 HIS 167 HB3 0.08 0.16 0.20 -0.04 3.20 3.60 2p51A1 HIS 167 HD2 -0.01 0.03 0.01 -0.04 6.97 6.95 2p51A1 HIS 167 HE1 0.17 0.05 -0.05 -0.04 7.75 7.88 2p51A1 SER 168 H 0.22 0.04 0.04 -0.55 8.46 8.21 2p51A1 SER 168 HA 0.13 0.22 -0.12 -0.75 4.49 3.97 2p51A1 SER 168 HB2 -0.14 0.09 0.02 -0.04 3.95 3.88 2p51A1 SER 168 HB3 0.06 -0.08 -0.09 -0.04 3.93 3.77 2p51A1 GLY 169 H 0.31 0.17 -0.18 -0.55 8.43 8.18 2p51A1 GLY 169 HA2 0.30 0.09 0.23 -0.51 4.01 4.11 2p51A1 GLY 169 HA3 0.18 0.10 0.24 -0.51 4.01 4.03 2p51A1 TYR 170 H 0.38 0.15 -0.05 -0.55 8.29 8.22 2p51A1 TYR 170 HA -0.12 0.13 0.48 -0.75 4.56 4.30 2p51A1 TYR 170 HB2 0.08 -0.01 0.08 -0.04 3.06 3.17 2p51A1 TYR 170 HB3 -0.42 0.06 -0.09 -0.04 2.98 2.49 2p51A1 TYR 170 HD2 -0.28 -0.02 -0.01 -0.04 7.15 6.80 2p51A1 TYR 170 HE2 -0.08 0.04 -0.02 -0.04 6.85 6.75 2p51A1 ASP 171 H 0.22 0.08 -0.25 -0.55 8.40 7.91 2p51A1 ASP 171 HA 0.20 0.06 0.33 -0.75 4.63 4.47 2p51A1 ASP 171 HB2 0.01 0.00 0.08 -0.04 2.71 2.76 2p51A1 ASP 171 HB3 -0.01 0.06 -0.08 -0.04 2.70 2.63 2p51A1 PHE 172 H 0.13 0.64 -0.10 -0.55 8.34 8.46 2p51A1 PHE 172 HA -0.18 0.08 0.37 -0.75 4.62 4.13 2p51A1 PHE 172 HB2 0.07 0.08 0.04 -0.04 3.15 3.30 2p51A1 PHE 172 HB3 -0.06 0.02 -0.13 -0.04 3.06 2.85 2p51A1 PHE 172 HD2 -0.54 -0.06 -0.09 -0.04 7.28 6.55 2p51A1 PHE 172 HE2 -0.96 0.00 -0.15 -0.04 7.38 6.24 2p51A1 PHE 172 HZ -0.15 0.06 -0.14 -0.04 7.32 7.05 2p51A1 ALA 173 H 0.22 0.47 -0.23 -0.55 8.40 8.31 2p51A1 ALA 173 HA 0.36 0.01 0.42 -0.75 4.34 4.38 2p51A1 ALA 173 HB3 -0.17 0.01 0.08 -0.04 1.41 1.29 2p51A1 TYR 174 H 0.10 0.53 -0.21 -0.55 8.29 8.16 2p51A1 TYR 174 HA -0.04 0.07 0.41 -0.75 4.56 4.24 2p51A1 TYR 174 HB2 -0.02 0.08 0.13 -0.04 3.06 3.21 2p51A1 TYR 174 HB3 -0.05 -0.05 -0.03 -0.04 2.98 2.81 2p51A1 TYR 174 HD2 -0.21 -0.01 -0.03 -0.04 7.15 6.86 2p51A1 TYR 174 HE2 -0.62 0.09 -0.01 -0.04 6.85 6.27 2p51A1 LEU 175 H 0.13 0.36 -0.24 -0.55 8.37 8.08 2p51A1 LEU 175 HA 0.12 0.03 0.44 -0.75 4.35 4.18 2p51A1 LEU 175 HB2 0.09 0.00 0.12 -0.04 1.64 1.80 2p51A1 LEU 175 HB3 0.23 0.00 -0.07 -0.04 1.64 1.76 2p51A1 LEU 175 HG 0.25 0.00 -0.03 -0.04 1.64 1.83 2p51A1 LEU 175 HD13 0.11 -0.02 -0.08 -0.04 0.93 0.90 2p51A1 LEU 175 HD23 0.22 0.01 -0.09 -0.04 0.89 0.99 2p51A1 LEU 176 H 0.08 0.60 -0.10 -0.55 8.37 8.40 2p51A1 LEU 176 HA -0.16 0.05 0.45 -0.75 4.35 3.94 2p51A1 LEU 176 HB2 -0.05 0.01 0.06 -0.04 1.64 1.62 2p51A1 LEU 176 HB3 0.05 0.03 0.09 -0.04 1.64 1.77 2p51A1 LEU 176 HG -0.12 0.00 -0.13 -0.04 1.64 1.36 2p51A1 LEU 176 HD13 -0.33 -0.00 -0.08 -0.04 0.93 0.48 2p51A1 LEU 176 HD23 -0.14 -0.02 -0.04 -0.04 0.89 0.65 2p51A1 LYS 177 H -0.00 0.70 -0.14 -0.55 8.42 8.43 2p51A1 LYS 177 HA -0.03 0.05 0.41 -0.75 4.32 4.00 2p51A1 LYS 177 HB2 -0.09 -0.04 0.03 -0.04 1.87 1.73 2p51A1 LYS 177 HB3 -0.03 0.07 0.13 -0.04 1.79 1.92 2p51A1 LYS 177 HG2 0.02 -0.05 -0.31 -0.04 1.46 1.08 2p51A1 LYS 177 HG3 -0.02 0.01 -0.07 -0.04 1.46 1.34 2p51A1 LYS 177 HD2 -0.13 0.00 -0.15 -0.04 1.69 1.36 2p51A1 LYS 177 HD3 0.02 -0.08 -0.02 -0.04 1.68 1.56 2p51A1 LYS 177 HE2 0.06 -0.14 -0.09 -0.04 2.99 2.78 2p51A1 LYS 177 HE3 0.01 0.03 -0.06 -0.04 2.99 2.93 2p51A1 ALA 178 H 0.03 0.48 -0.24 -0.55 8.40 8.12 2p51A1 ALA 178 HA 0.03 -0.04 0.34 -0.75 4.34 3.92 2p51A1 ALA 178 HB3 0.08 0.01 0.09 -0.04 1.41 1.55 2p51A1 MET 179 H -0.06 0.55 -0.13 -0.55 8.47 8.28 2p51A1 MET 179 HA -0.07 -0.02 0.32 -0.75 4.52 4.00 2p51A1 MET 179 HB2 -0.36 0.05 0.11 -0.04 2.15 1.91 2p51A1 MET 179 HB3 -0.33 -0.03 -0.02 -0.04 2.03 1.62 2p51A1 MET 179 HG2 -0.13 -0.02 0.01 -0.04 2.63 2.44 2p51A1 MET 179 HG3 -0.09 0.05 0.03 -0.04 2.56 2.51 2p51A1 MET 179 HE3 -0.54 0.01 -0.16 -0.04 2.10 1.37 2p51A1 THR 180 H -0.09 0.43 -0.26 -0.55 8.28 7.82 2p51A1 THR 180 HA -0.05 0.14 0.65 -0.75 4.39 4.38 2p51A1 THR 180 HB -0.03 -0.06 0.00 -0.04 4.32 4.19 2p51A1 THR 180 HG23 -0.15 0.00 -0.06 -0.04 1.22 0.98 2p51A1 GLN 181 H -0.02 0.51 -0.07 -0.55 8.47 8.34 2p51A1 GLN 181 HA 0.01 0.06 0.29 -0.75 4.36 3.96 2p51A1 GLN 181 HB2 0.00 0.17 -0.15 -0.04 2.15 2.13 2p51A1 GLN 181 HB3 0.01 -0.10 0.21 -0.04 2.02 2.10 2p51A1 GLN 181 HG2 0.01 0.22 -0.23 -0.04 2.40 2.36 2p51A1 GLN 181 HG3 0.02 -0.09 -0.07 -0.04 2.39 2.21 2p51A1 GLN 181 HE21 0.05 -0.24 -0.08 -0.04 6.97 6.66 2p51A1 GLN 181 HE22 0.04 0.64 0.08 -0.04 7.69 8.41 2p51A1 ILE 182 H -0.01 0.20 -0.16 -0.55 8.25 7.73 2p51A1 ILE 182 HA 0.00 0.16 0.80 -0.75 4.18 4.39 2p51A1 ILE 182 HB 0.00 0.00 0.05 -0.04 1.89 1.90 2p51A1 ILE 182 HG12 -0.01 -0.00 -0.30 -0.04 1.49 1.14 2p51A1 ILE 182 HG13 -0.00 0.08 -0.30 -0.04 1.21 0.95 2p51A1 ILE 182 HG23 0.00 0.02 -0.15 -0.04 0.93 0.77 2p51A1 ILE 182 HD13 0.00 -0.03 -0.09 -0.04 0.88 0.73 2p51A1 PRO 183 HA -0.02 0.03 0.46 -0.51 4.44 4.40 2p51A1 PRO 183 HB2 0.00 0.04 -0.07 -0.04 2.28 2.21 2p51A1 PRO 183 HB3 -0.01 0.01 0.07 -0.04 2.02 2.04 2p51A1 PRO 183 HG2 -0.00 0.00 0.05 -0.04 2.03 2.04 2p51A1 PRO 183 HG3 -0.00 0.06 0.06 -0.04 2.03 2.10 2p51A1 PRO 183 HD2 0.00 0.09 0.17 -0.04 3.68 3.90 2p51A1 PRO 183 HD3 0.00 0.16 0.16 -0.04 3.65 3.93 2p51A1 LEU 184 H -0.04 0.06 0.12 -0.55 8.37 7.96 2p51A1 LEU 184 HA 0.07 0.12 0.40 -0.75 4.35 4.18 2p51A1 LEU 184 HB2 -0.07 -0.04 0.05 -0.04 1.64 1.55 2p51A1 LEU 184 HB3 0.14 -0.01 0.05 -0.04 1.64 1.78 2p51A1 LEU 184 HG -0.06 0.04 0.02 -0.04 1.64 1.59 2p51A1 LEU 184 HD13 -0.25 -0.02 -0.04 -0.04 0.93 0.58 2p51A1 LEU 184 HD23 0.16 0.03 -0.02 -0.04 0.89 1.02 2p51A1 PRO 185 HA 0.07 0.08 0.45 -0.51 4.44 4.53 2p51A1 PRO 185 HB2 0.14 -0.04 -0.05 -0.04 2.28 2.29 2p51A1 PRO 185 HB3 0.06 -0.03 0.02 -0.04 2.02 2.04 2p51A1 PRO 185 HG2 0.10 0.03 -0.15 -0.04 2.03 1.97 2p51A1 PRO 185 HG3 0.06 0.13 -0.02 -0.04 2.03 2.15 2p51A1 PRO 185 HD2 0.36 0.02 0.13 -0.04 3.68 4.15 2p51A1 PRO 185 HD3 0.13 0.23 0.13 -0.04 3.65 4.10 2p51A1 ALA 186 H 0.08 0.11 0.13 -0.55 8.40 8.17 2p51A1 ALA 186 HA 0.10 0.16 0.35 -0.75 4.34 4.20 2p51A1 ALA 186 HB3 0.06 -0.00 0.07 -0.04 1.41 1.50 2p51A1 GLU 187 H 0.09 0.07 -0.14 -0.55 8.60 8.08 2p51A1 GLU 187 HA 0.14 0.23 0.91 -0.75 4.29 4.82 2p51A1 GLU 187 HB2 0.02 -0.03 0.04 -0.04 2.09 2.08 2p51A1 GLU 187 HB3 0.03 -0.09 0.05 -0.04 1.99 1.93 2p51A1 GLU 187 HG2 0.07 0.02 -0.42 -0.04 2.34 1.98 2p51A1 GLU 187 HG3 0.04 0.06 -0.06 -0.04 2.34 2.34 2p51A1 TYR 188 H -0.06 0.18 0.12 -0.55 8.29 7.98 2p51A1 TYR 188 HA -1.06 0.15 0.26 -0.75 4.56 3.16 2p51A1 TYR 188 HB2 -0.49 0.04 0.09 -0.04 3.06 2.66 2p51A1 TYR 188 HB3 -0.21 -0.02 0.06 -0.04 2.98 2.78 2p51A1 TYR 188 HD2 -0.38 0.03 -0.08 -0.04 7.15 6.68 2p51A1 TYR 188 HE2 -0.03 0.08 -0.05 -0.04 6.85 6.82 2p51A1 GLU 189 H -0.03 0.08 -0.16 -0.55 8.60 7.95 2p51A1 GLU 189 HA -0.11 0.11 0.35 -0.75 4.29 3.88 2p51A1 GLU 189 HB2 -0.02 -0.03 0.02 -0.04 2.09 2.01 2p51A1 GLU 189 HB3 -0.03 0.11 0.00 -0.04 1.99 2.03 2p51A1 GLU 189 HG2 -0.01 0.09 0.01 -0.04 2.34 2.40 2p51A1 GLU 189 HG3 -0.00 0.04 0.03 -0.04 2.34 2.37 2p51A1 GLU 190 H -0.06 0.11 -0.34 -0.55 8.60 7.76 2p51A1 GLU 190 HA -0.05 0.12 0.42 -0.75 4.29 4.02 2p51A1 GLU 190 HB2 -0.01 0.00 0.06 -0.04 2.09 2.10 2p51A1 GLU 190 HB3 0.01 0.00 0.05 -0.04 1.99 2.01 2p51A1 GLU 190 HG2 -0.01 0.04 -0.12 -0.04 2.34 2.21 2p51A1 GLU 190 HG3 -0.02 0.03 0.04 -0.04 2.34 2.34 2p51A1 PHE 191 H -0.04 0.31 -0.09 -0.55 8.34 7.97 2p51A1 PHE 191 HA -0.11 0.08 0.50 -0.75 4.62 4.33 2p51A1 PHE 191 HB2 -0.09 0.05 0.04 -0.04 3.15 3.12 2p51A1 PHE 191 HB3 -0.53 0.02 0.17 -0.04 3.06 2.68 2p51A1 PHE 191 HD2 -0.16 0.01 -0.06 -0.04 7.28 7.03 2p51A1 PHE 191 HE2 0.10 -0.01 -0.07 -0.04 7.38 7.35 2p51A1 PHE 191 HZ 0.08 -0.03 -0.15 -0.04 7.32 7.18 2p51A1 TYR 192 H -0.34 0.71 -0.10 -0.55 8.29 8.01 2p51A1 TYR 192 HA -0.51 0.00 0.33 -0.75 4.56 3.63 2p51A1 TYR 192 HB2 -1.11 -0.07 0.05 -0.04 3.06 1.89 2p51A1 TYR 192 HB3 -0.41 0.11 0.10 -0.04 2.98 2.74 2p51A1 TYR 192 HD2 -0.14 -0.05 -0.08 -0.04 7.15 6.85 2p51A1 TYR 192 HE2 -0.07 0.08 0.01 -0.04 6.85 6.83 2p51A1 LYS 193 H -0.13 0.40 -0.20 -0.55 8.42 7.93 2p51A1 LYS 193 HA -0.22 0.05 0.39 -0.75 4.32 3.79 2p51A1 LYS 193 HB2 -0.06 0.00 0.13 -0.04 1.87 1.89 2p51A1 LYS 193 HB3 -0.10 0.06 0.17 -0.04 1.79 1.88 2p51A1 LYS 193 HG2 -0.10 0.02 -0.21 -0.04 1.46 1.13 2p51A1 LYS 193 HG3 -0.10 0.00 -0.02 -0.04 1.46 1.30 2p51A1 LYS 193 HD2 -0.05 -0.02 -0.03 -0.04 1.69 1.55 2p51A1 LYS 193 HD3 -0.05 -0.00 -0.03 -0.04 1.68 1.56 2p51A1 LYS 193 HE2 -0.05 0.00 0.04 -0.04 2.99 2.94 2p51A1 LYS 193 HE3 -0.03 -0.08 -0.06 -0.04 2.99 2.77 2p51A1 ILE 194 H -0.20 0.47 -0.15 -0.55 8.25 7.82 2p51A1 ILE 194 HA -0.12 0.05 0.48 -0.75 4.18 3.83 2p51A1 ILE 194 HB -0.16 0.00 0.17 -0.04 1.89 1.86 2p51A1 ILE 194 HG12 -0.05 -0.01 0.01 -0.04 1.49 1.39 2p51A1 ILE 194 HG13 -0.08 0.04 0.08 -0.04 1.21 1.20 2p51A1 ILE 194 HG23 0.03 -0.00 -0.10 -0.04 0.93 0.82 2p51A1 ILE 194 HD13 -0.02 -0.02 -0.03 -0.04 0.88 0.77 2p51A1 LEU 195 H -0.47 0.64 -0.10 -0.55 8.37 7.89 2p51A1 LEU 195 HA -0.23 -0.01 0.32 -0.75 4.35 3.67 2p51A1 LEU 195 HB2 -0.95 0.06 0.05 -0.04 1.64 0.76 2p51A1 LEU 195 HB3 -0.64 0.08 0.03 -0.04 1.64 1.06 2p51A1 LEU 195 HG -0.63 0.03 -0.14 -0.04 1.64 0.86 2p51A1 LEU 195 HD13 -0.40 -0.02 -0.06 -0.04 0.93 0.41 2p51A1 LEU 195 HD23 -0.72 -0.03 -0.13 -0.04 0.89 -0.03 2p51A1 CYS 196 H -0.48 0.56 -0.28 -0.55 8.50 7.74 2p51A1 CYS 196 HA -0.31 0.15 0.20 -0.75 4.58 3.86 2p51A1 CYS 196 HB2 -0.45 0.06 0.07 -0.04 2.97 2.61 2p51A1 CYS 196 HB3 -0.31 -0.00 0.05 -0.04 2.97 2.67 2p51A1 ILE 197 H -0.23 0.32 -0.51 -0.55 8.25 7.27 2p51A1 ILE 197 HA -0.23 0.10 0.73 -0.75 4.18 4.03 2p51A1 ILE 197 HB -0.27 0.11 0.17 -0.04 1.89 1.87 2p51A1 ILE 197 HG12 -0.18 -0.04 -0.00 -0.04 1.49 1.22 2p51A1 ILE 197 HG13 -0.19 0.13 -0.01 -0.04 1.21 1.10 2p51A1 ILE 197 HG23 -0.42 -0.02 -0.10 -0.04 0.93 0.34 2p51A1 ILE 197 HD13 -0.15 -0.04 -0.03 -0.04 0.88 0.62 2p51A1 TYR 198 H -0.14 0.39 -0.03 -0.55 8.29 7.96 2p51A1 TYR 198 HA -0.40 0.04 0.65 -0.75 4.56 4.09 2p51A1 TYR 198 HB2 -0.57 0.08 0.10 -0.04 3.06 2.63 2p51A1 TYR 198 HB3 -1.12 -0.06 -0.02 -0.04 2.98 1.74 2p51A1 TYR 198 HD2 -0.30 0.11 0.00 -0.04 7.15 6.92 2p51A1 TYR 198 HE2 -0.15 -0.01 -0.04 -0.04 6.85 6.61 2p51A1 PHE 199 H -0.21 0.55 -0.21 -0.55 8.34 7.92 2p51A1 PHE 199 HA -0.27 0.20 0.79 -0.75 4.62 4.59 2p51A1 PHE 199 HB2 -0.58 -0.00 0.06 -0.04 3.15 2.59 2p51A1 PHE 199 HB3 -0.40 -0.04 0.01 -0.04 3.06 2.58 2p51A1 PHE 199 HD2 -1.40 0.13 -0.02 -0.04 7.28 5.94 2p51A1 PHE 199 HE2 -1.32 -0.01 -0.11 -0.04 7.38 5.89 2p51A1 PHE 199 HZ -0.36 -0.04 -0.13 -0.04 7.32 6.74 2p51A1 PRO 200 HA -0.13 0.19 0.38 -0.51 4.44 4.36 2p51A1 PRO 200 HB2 -0.06 -0.06 -0.06 -0.04 2.28 2.07 2p51A1 PRO 200 HB3 -0.11 0.10 0.06 -0.04 2.02 2.02 2p51A1 PRO 200 HG2 0.00 0.13 -0.30 -0.04 2.03 1.83 2p51A1 PRO 200 HG3 -0.07 -0.05 -0.34 -0.04 2.03 1.53 2p51A1 PRO 200 HD2 -0.05 0.16 -0.08 -0.04 3.68 3.67 2p51A1 PRO 200 HD3 -0.17 0.26 -0.58 -0.04 3.65 3.12 2p51A1 LYS 201 H 0.07 0.22 -0.36 -0.55 8.42 7.79 2p51A1 LYS 201 HA -0.10 0.07 0.84 -0.75 4.32 4.38 2p51A1 LYS 201 HB2 0.00 0.00 -0.04 -0.04 1.87 1.80 2p51A1 LYS 201 HB3 0.07 0.00 0.21 -0.04 1.79 2.03 2p51A1 LYS 201 HG2 0.01 -0.12 -0.12 -0.04 1.46 1.20 2p51A1 LYS 201 HG3 -0.10 0.00 -0.01 -0.04 1.46 1.31 2p51A1 LYS 201 HD2 0.04 0.00 -0.02 -0.04 1.69 1.67 2p51A1 LYS 201 HD3 0.08 0.13 -0.14 -0.04 1.68 1.70 2p51A1 LYS 201 HE2 0.15 -0.07 -0.08 -0.04 2.99 2.95 2p51A1 LYS 201 HE3 0.11 -0.03 -0.04 -0.04 2.99 2.99 2p51A1 ASN 202 H -0.20 0.19 0.17 -0.55 8.53 8.15 2p51A1 ASN 202 HA 0.08 0.37 0.95 -0.75 4.76 5.41 2p51A1 ASN 202 HB2 0.35 -0.03 0.03 -0.04 2.88 3.19 2p51A1 ASN 202 HB3 0.17 0.09 -0.22 -0.04 2.79 2.79 2p51A1 ASN 202 HD21 -0.29 -0.08 -0.10 -0.04 7.03 6.52 2p51A1 ASN 202 HD22 -0.18 0.51 -0.07 -0.04 7.74 7.96 2p51A1 TYR 203 H 0.14 0.75 0.42 -0.55 8.29 9.04 2p51A1 TYR 203 HA 0.09 0.19 0.86 -0.75 4.56 4.95 2p51A1 TYR 203 HB2 -0.10 0.01 0.08 -0.04 3.06 3.00 2p51A1 TYR 203 HB3 0.12 -0.05 -0.04 -0.04 2.98 2.97 2p51A1 TYR 203 HD2 -0.05 0.04 -0.18 -0.04 7.15 6.93 2p51A1 TYR 203 HE2 0.05 0.03 -0.19 -0.04 6.85 6.70 2p51A1 ASP 204 H 0.26 0.37 0.17 -0.55 8.40 8.65 2p51A1 ASP 204 HA 0.17 0.14 0.83 -0.75 4.63 5.02 2p51A1 ASP 204 HB2 0.21 0.14 0.05 -0.04 2.71 3.07 2p51A1 ASP 204 HB3 0.22 0.27 0.35 -0.04 2.70 3.50 2p51A1 ILE 205 H 0.19 0.86 0.33 -0.55 8.25 9.09 2p51A1 ILE 205 HA 0.22 0.13 0.38 -0.75 4.18 4.15 2p51A1 ILE 205 HB 0.45 -0.04 0.23 -0.04 1.89 2.48 2p51A1 ILE 205 HG12 0.34 0.03 0.02 -0.04 1.49 1.84 2p51A1 ILE 205 HG13 0.24 0.04 0.11 -0.04 1.21 1.56 2p51A1 ILE 205 HG23 0.33 0.02 -0.10 -0.04 0.93 1.13 2p51A1 ILE 205 HD13 0.25 0.01 -0.02 -0.04 0.88 1.07 2p51A1 LYS 206 H -0.26 -0.12 -0.06 -0.55 8.42 7.42 2p51A1 LYS 206 HA -0.41 0.25 0.57 -0.75 4.32 3.97 2p51A1 LYS 206 HB2 -1.48 0.02 0.15 -0.04 1.87 0.51 2p51A1 LYS 206 HB3 -0.50 -0.22 0.17 -0.04 1.79 1.19 2p51A1 LYS 206 HG2 -1.64 -0.02 -0.01 -0.04 1.46 -0.24 2p51A1 LYS 206 HG3 -1.40 0.02 -0.13 -0.04 1.46 -0.09 2p51A1 LYS 206 HD2 -0.47 0.11 0.05 -0.04 1.69 1.34 2p51A1 LYS 206 HD3 -0.59 -0.04 -0.00 -0.04 1.68 1.01 2p51A1 LYS 206 HE2 -0.62 -0.03 -0.03 -0.04 2.99 2.27 2p51A1 LYS 206 HE3 -0.91 -0.03 -0.01 -0.04 2.99 1.99 2p51A1 TYR 207 H 0.13 0.02 -0.11 -0.55 8.29 7.77 2p51A1 TYR 207 HA 0.19 -0.01 0.54 -0.75 4.56 4.52 2p51A1 TYR 207 HB2 0.15 -0.18 -0.04 -0.04 3.06 2.94 2p51A1 TYR 207 HB3 0.12 0.21 0.21 -0.04 2.98 3.48 2p51A1 TYR 207 HD2 0.12 -0.06 -0.13 -0.04 7.15 7.04 2p51A1 TYR 207 HE2 0.08 0.04 -0.07 -0.04 6.85 6.86 2p51A1 ILE 208 H 0.21 0.42 -0.08 -0.55 8.25 8.24 2p51A1 ILE 208 HA 0.04 0.07 0.40 -0.75 4.18 3.93 2p51A1 ILE 208 HB 0.17 0.01 0.15 -0.04 1.89 2.18 2p51A1 ILE 208 HG12 0.23 0.03 0.01 -0.04 1.49 1.72 2p51A1 ILE 208 HG13 0.31 0.06 0.04 -0.04 1.21 1.58 2p51A1 ILE 208 HG23 0.23 0.01 -0.13 -0.04 0.93 1.01 2p51A1 ILE 208 HD13 0.11 -0.01 -0.09 -0.04 0.88 0.85 2p51A1 MET 209 H 0.04 0.61 -0.04 -0.55 8.47 8.54 2p51A1 MET 209 HA 0.02 0.07 0.31 -0.75 4.52 4.17 2p51A1 MET 209 HB2 0.05 -0.04 0.17 -0.04 2.15 2.28 2p51A1 MET 209 HB3 0.04 0.03 0.02 -0.04 2.03 2.07 2p51A1 MET 209 HG2 0.15 0.02 0.08 -0.04 2.63 2.83 2p51A1 MET 209 HG3 0.17 -0.06 -0.02 -0.04 2.56 2.61 2p51A1 MET 209 HE3 0.08 0.00 -0.04 -0.04 2.10 2.10 2p51A1 LYS 210 H -0.12 0.48 0.05 -0.55 8.42 8.28 2p51A1 LYS 210 HA -0.05 0.09 0.43 -0.75 4.32 4.03 2p51A1 LYS 210 HB2 -0.18 0.03 0.09 -0.04 1.87 1.76 2p51A1 LYS 210 HB3 -0.21 -0.03 0.15 -0.04 1.79 1.66 2p51A1 LYS 210 HG2 0.06 0.02 -0.35 -0.04 1.46 1.15 2p51A1 LYS 210 HG3 -0.01 -0.01 -0.18 -0.04 1.46 1.21 2p51A1 LYS 210 HD2 -0.04 0.01 -0.03 -0.04 1.69 1.59 2p51A1 LYS 210 HD3 0.16 -0.08 -0.06 -0.04 1.68 1.66 2p51A1 LYS 210 HE2 0.11 -0.02 -0.04 -0.04 2.99 3.00 2p51A1 LYS 210 HE3 0.13 -0.01 -0.08 -0.04 2.99 3.00 2p51A1 SER 211 H -0.11 0.23 0.11 -0.55 8.46 8.14 2p51A1 SER 211 HA -0.04 0.04 0.29 -0.75 4.49 4.03 2p51A1 SER 211 HB2 -0.76 0.18 0.16 -0.04 3.95 3.49 2p51A1 SER 211 HB3 -0.20 0.00 0.05 -0.04 3.93 3.73 2p51A1 VAL 212 H -0.22 0.31 -0.17 -0.55 8.24 7.60 2p51A1 VAL 212 HA -0.09 0.16 0.91 -0.75 4.13 4.36 2p51A1 VAL 212 HB -0.02 0.19 0.19 -0.04 2.12 2.44 2p51A1 VAL 212 HG13 0.05 -0.01 -0.09 -0.04 0.97 0.88 2p51A1 VAL 212 HG23 -0.24 -0.01 -0.09 -0.04 0.95 0.56 2p51A1 LEU 213 H -0.06 0.39 0.00 -0.55 8.37 8.15 2p51A1 LEU 213 HA -0.09 0.13 0.56 -0.75 4.35 4.19 2p51A1 LEU 213 HB2 -0.09 0.07 0.22 -0.04 1.64 1.80 2p51A1 LEU 213 HB3 -0.21 -0.05 0.16 -0.04 1.64 1.50 2p51A1 LEU 213 HG 0.04 0.16 0.02 -0.04 1.64 1.82 2p51A1 LEU 213 HD13 -0.03 -0.04 -0.07 -0.04 0.93 0.75 2p51A1 LEU 213 HD23 -0.15 0.01 -0.10 -0.04 0.89 0.61 2p51A1 ASN 214 H -0.06 0.22 -0.39 -0.55 8.53 7.76 2p51A1 ASN 214 HA -0.03 0.08 0.28 -0.75 4.76 4.32 2p51A1 ASN 214 HB2 -0.04 0.04 -0.22 -0.04 2.88 2.62 2p51A1 ASN 214 HB3 -0.05 0.10 0.04 -0.04 2.79 2.84 2p51A1 ASN 214 HD21 -0.01 -0.07 0.04 -0.04 7.03 6.94 2p51A1 ASN 214 HD22 -0.03 0.02 0.04 -0.04 7.74 7.74 2p51A1 ASN 215 H -0.05 0.73 -0.12 -0.55 8.53 8.54 2p51A1 ASN 215 HA -0.03 0.07 0.80 -0.75 4.76 4.85 2p51A1 ASN 215 HB2 -0.08 0.15 -0.06 -0.04 2.88 2.84 2p51A1 ASN 215 HB3 -0.04 -0.01 0.04 -0.04 2.79 2.75 2p51A1 ASN 215 HD21 0.02 -0.03 -0.04 -0.04 7.03 6.94 2p51A1 ASN 215 HD22 -0.04 0.09 -0.03 -0.04 7.74 7.72 2p51A1 SER 216 H -0.00 0.20 0.04 -0.55 8.46 8.15 2p51A1 SER 216 HA -0.03 0.13 0.48 -0.75 4.49 4.32 2p51A1 SER 216 HB2 0.01 0.02 0.01 -0.04 3.95 3.94 2p51A1 SER 216 HB3 0.02 -0.04 0.09 -0.04 3.93 3.95 2p51A1 LYS 217 H 0.03 0.08 -0.35 -0.55 8.42 7.62 2p51A1 LYS 217 HA 0.04 0.01 0.39 -0.75 4.32 4.02 2p51A1 LYS 217 HB2 0.04 0.04 -0.04 -0.04 1.87 1.87 2p51A1 LYS 217 HB3 0.03 -0.04 -0.12 -0.04 1.79 1.62 2p51A1 LYS 217 HG2 0.02 -0.01 -0.03 -0.04 1.46 1.40 2p51A1 LYS 217 HG3 0.02 -0.04 -0.03 -0.04 1.46 1.37 2p51A1 LYS 217 HD2 0.02 0.04 -0.08 -0.04 1.69 1.63 2p51A1 LYS 217 HD3 0.02 0.02 -0.27 -0.04 1.68 1.41 2p51A1 LYS 217 HE2 0.01 0.06 -0.03 -0.04 2.99 2.99 2p51A1 LYS 217 HE3 0.01 -0.04 -0.04 -0.04 2.99 2.89 2p51A1 GLY 218 H 0.06 0.08 0.15 -0.55 8.43 8.17 2p51A1 GLY 218 HA2 0.29 0.16 0.59 -0.51 4.01 4.53 2p51A1 GLY 218 HA3 0.06 0.00 0.37 -0.51 4.01 3.93 2p51A1 LEU 219 H -0.42 0.16 0.13 -0.55 8.37 7.69 2p51A1 LEU 219 HA -0.61 0.13 0.27 -0.75 4.35 3.39 2p51A1 LEU 219 HB2 -1.22 0.00 0.12 -0.04 1.64 0.50 2p51A1 LEU 219 HB3 -0.36 -0.06 0.12 -0.04 1.64 1.30 2p51A1 LEU 219 HG -0.25 0.03 -0.25 -0.04 1.64 1.13 2p51A1 LEU 219 HD13 -0.40 0.01 -0.07 -0.04 0.93 0.42 2p51A1 LEU 219 HD23 -0.17 0.03 -0.03 -0.04 0.89 0.68 2p51A1 GLN 220 H -0.13 0.06 -0.10 -0.55 8.47 7.76 2p51A1 GLN 220 HA -0.08 0.15 0.41 -0.75 4.36 4.08 2p51A1 GLN 220 HB2 -0.06 -0.01 0.06 -0.04 2.15 2.10 2p51A1 GLN 220 HB3 -0.04 -0.03 0.03 -0.04 2.02 1.94 2p51A1 GLN 220 HG2 -0.03 0.03 -0.04 -0.04 2.40 2.32 2p51A1 GLN 220 HG3 -0.03 0.02 -0.18 -0.04 2.39 2.16 2p51A1 GLN 220 HE21 -0.05 0.06 -0.01 -0.04 6.97 6.93 2p51A1 GLN 220 HE22 -0.03 -0.01 -0.00 -0.04 7.69 7.61 2p51A1 ASP 221 H -0.04 -0.01 -0.32 -0.55 8.40 7.49 2p51A1 ASP 221 HA -0.01 0.11 0.42 -0.75 4.63 4.40 2p51A1 ASP 221 HB2 0.01 -0.04 0.04 -0.04 2.71 2.69 2p51A1 ASP 221 HB3 0.01 0.07 -0.01 -0.04 2.70 2.73 2p51A1 ILE 222 H -0.03 0.56 -0.25 -0.55 8.25 7.99 2p51A1 ILE 222 HA 0.03 0.05 0.48 -0.75 4.18 3.98 2p51A1 ILE 222 HB -0.02 0.08 0.06 -0.04 1.89 1.96 2p51A1 ILE 222 HG12 0.07 -0.01 -0.07 -0.04 1.49 1.43 2p51A1 ILE 222 HG13 0.05 -0.04 -0.19 -0.04 1.21 1.00 2p51A1 ILE 222 HG23 0.07 0.00 -0.20 -0.04 0.93 0.76 2p51A1 ILE 222 HD13 0.17 -0.01 -0.18 -0.04 0.88 0.82 2p51A1 ALA 223 H -0.04 0.49 -0.11 -0.55 8.40 8.19 2p51A1 ALA 223 HA 0.01 0.03 0.37 -0.75 4.34 3.99 2p51A1 ALA 223 HB3 -0.03 0.06 0.05 -0.04 1.41 1.45 2p51A1 ASP 224 H -0.01 0.52 -0.20 -0.55 8.40 8.16 2p51A1 ASP 224 HA 0.01 0.06 0.33 -0.75 4.63 4.27 2p51A1 ASP 224 HB2 0.00 0.02 0.13 -0.04 2.71 2.83 2p51A1 ASP 224 HB3 0.01 -0.02 0.02 -0.04 2.70 2.67 2p51A1 ASP 225 H 0.01 0.46 -0.22 -0.55 8.40 8.11 2p51A1 ASP 225 HA 0.02 -0.01 0.39 -0.75 4.63 4.27 2p51A1 ASP 225 HB2 0.02 0.12 0.20 -0.04 2.71 3.02 2p51A1 ASP 225 HB3 0.04 0.06 0.07 -0.04 2.70 2.83 2p51A1 LEU 226 H 0.03 0.61 -0.17 -0.55 8.37 8.29 2p51A1 LEU 226 HA 0.03 0.11 0.61 -0.75 4.35 4.34 2p51A1 LEU 226 HB2 0.04 -0.01 0.02 -0.04 1.64 1.65 2p51A1 LEU 226 HB3 0.03 -0.03 0.09 -0.04 1.64 1.69 2p51A1 LEU 226 HG 0.07 0.05 -0.02 -0.04 1.64 1.70 2p51A1 LEU 226 HD13 0.08 -0.04 -0.09 -0.04 0.93 0.84 2p51A1 LEU 226 HD23 0.09 0.01 -0.09 -0.04 0.89 0.86 2p51A1 GLN 227 H 0.02 0.43 -0.69 -0.55 8.47 7.68 2p51A1 GLN 227 HA 0.03 0.02 0.26 -0.75 4.36 3.91 2p51A1 GLN 227 HB2 0.02 0.09 0.18 -0.04 2.15 2.39 2p51A1 GLN 227 HB3 0.02 -0.10 0.14 -0.04 2.02 2.04 2p51A1 GLN 227 HG2 0.02 0.07 -0.05 -0.04 2.40 2.40 2p51A1 GLN 227 HG3 0.02 0.04 -0.43 -0.04 2.39 1.97 2p51A1 GLN 227 HE21 0.01 -0.06 -0.00 -0.04 6.97 6.87 2p51A1 GLN 227 HE22 0.01 0.02 0.00 -0.04 7.69 7.68 2p51A1 ILE 228 H 0.03 0.50 -0.18 -0.55 8.25 8.05 2p51A1 ILE 228 HA 0.05 0.16 0.86 -0.75 4.18 4.49 2p51A1 ILE 228 HB 0.02 -0.10 0.05 -0.04 1.89 1.81 2p51A1 ILE 228 HG12 0.04 0.03 -0.09 -0.04 1.49 1.43 2p51A1 ILE 228 HG13 0.03 0.18 -0.31 -0.04 1.21 1.06 2p51A1 ILE 228 HG23 0.03 -0.02 -0.24 -0.04 0.93 0.66 2p51A1 ILE 228 HD13 0.04 -0.04 -0.17 -0.04 0.88 0.67 2p51A1 HIS 229 H 0.13 0.17 0.07 -0.55 8.41 8.23 2p51A1 HIS 229 HA -0.01 0.06 0.55 -0.75 4.63 4.48 2p51A1 HIS 229 HB2 -0.01 0.02 -0.03 -0.04 3.26 3.20 2p51A1 HIS 229 HB3 -0.01 0.00 0.07 -0.04 3.20 3.22 2p51A1 HIS 229 HD2 -0.01 -0.06 -0.28 -0.04 6.97 6.57 2p51A1 HIS 229 HE1 -0.01 -0.08 0.01 -0.04 7.75 7.62 2p51A1 ARG 230 H -0.31 0.12 0.12 -0.55 8.46 7.83 2p51A1 ARG 230 HA -0.18 0.09 0.64 -0.75 4.34 4.13 2p51A1 ARG 230 HB2 -0.14 -0.04 0.01 -0.04 1.90 1.69 2p51A1 ARG 230 HB3 -0.22 -0.02 0.05 -0.04 1.80 1.57 2p51A1 ARG 230 HG2 -0.15 0.14 -0.64 -0.04 1.67 0.99 2p51A1 ARG 230 HG3 -0.11 -0.02 -0.19 -0.04 1.67 1.31 2p51A1 ARG 230 HD2 -0.09 -0.03 -0.10 -0.04 3.22 2.96 2p51A1 ARG 230 HD3 -0.07 0.03 -0.44 -0.04 3.22 2.70 2p51A1 ILE 231 H -0.14 0.19 0.10 -0.55 8.25 7.85 2p51A1 ILE 231 HA -0.10 0.15 0.82 -0.75 4.18 4.29 2p51A1 ILE 231 HB -0.05 -0.02 0.09 -0.04 1.89 1.87 2p51A1 ILE 231 HG12 0.12 0.04 -0.09 -0.04 1.49 1.51 2p51A1 ILE 231 HG13 0.03 0.05 -0.13 -0.04 1.21 1.13 2p51A1 ILE 231 HG23 -0.03 -0.01 -0.14 -0.04 0.93 0.71 2p51A1 ILE 231 HD13 0.02 0.01 -0.02 -0.04 0.88 0.85 2p51A1 GLY 232 H -0.05 0.14 0.02 -0.55 8.43 7.99 2p51A1 GLY 232 HA2 -0.04 0.02 0.27 -0.51 4.01 3.75 2p51A1 GLY 232 HA3 -0.06 0.08 0.54 -0.51 4.01 4.06 2p51A1 PRO 233 HA -0.03 0.07 0.50 -0.51 4.44 4.47 2p51A1 PRO 233 HB2 -0.02 0.24 -0.04 -0.04 2.28 2.43 2p51A1 PRO 233 HB3 -0.02 0.06 0.07 -0.04 2.02 2.10 2p51A1 PRO 233 HG2 -0.03 -0.11 0.06 -0.04 2.03 1.91 2p51A1 PRO 233 HG3 -0.02 0.09 0.06 -0.04 2.03 2.11 2p51A1 PRO 233 HD2 -0.05 0.01 0.15 -0.04 3.68 3.76 2p51A1 PRO 233 HD3 -0.04 0.13 0.14 -0.04 3.65 3.85 2p51A1 GLN 234 H -0.03 0.16 0.12 -0.55 8.47 8.18 2p51A1 GLN 234 HA -0.03 -0.04 0.48 -0.75 4.36 4.01 2p51A1 GLN 234 HB2 -0.03 0.05 0.09 -0.04 2.15 2.23 2p51A1 GLN 234 HB3 -0.01 0.05 0.07 -0.04 2.02 2.10 2p51A1 GLN 234 HG2 0.04 0.03 -0.15 -0.04 2.40 2.28 2p51A1 GLN 234 HG3 -0.02 -0.10 0.04 -0.04 2.39 2.27 2p51A1 GLN 234 HE21 -0.02 -0.00 -0.02 -0.04 6.97 6.89 2p51A1 GLN 234 HE22 -0.01 -0.07 -0.01 -0.04 7.69 7.56 2p51A1 HIS 235 H -0.03 0.07 0.13 -0.55 8.41 8.04 2p51A1 HIS 235 HA -0.08 -0.06 0.24 -0.75 4.63 3.98 2p51A1 HIS 235 HB2 -0.06 -0.09 -0.32 -0.04 3.26 2.75 2p51A1 HIS 235 HB3 -0.07 0.24 0.10 -0.04 3.20 3.43 2p51A1 HIS 235 HD2 -0.08 -0.04 -0.01 -0.04 6.97 6.79 2p51A1 HIS 235 HE1 -0.18 -0.01 0.02 -0.04 7.75 7.54 2p51A1 GLN 236 H -0.04 0.28 -0.23 -0.55 8.47 7.92 2p51A1 GLN 236 HA -0.07 0.18 0.58 -0.75 4.36 4.29 2p51A1 GLN 236 HB2 -0.04 0.14 0.01 -0.04 2.15 2.22 2p51A1 GLN 236 HB3 -0.05 -0.15 -0.03 -0.04 2.02 1.75 2p51A1 GLN 236 HG2 -0.03 0.03 -0.02 -0.04 2.40 2.34 2p51A1 GLN 236 HG3 -0.01 0.26 -0.27 -0.04 2.39 2.33 2p51A1 GLN 236 HE21 -0.01 -0.01 -0.06 -0.04 6.97 6.85 2p51A1 GLN 236 HE22 -0.01 0.59 0.16 -0.04 7.69 8.38 2p51A1 ALA 237 H -0.06 0.22 -0.06 -0.55 8.40 7.94 2p51A1 ALA 237 HA -0.06 0.06 -0.07 -0.75 4.34 3.51 2p51A1 ALA 237 HB3 -0.00 0.04 -0.30 -0.04 1.41 1.10 2p51A1 GLY 238 H -0.04 0.10 -0.26 -0.55 8.43 7.69 2p51A1 GLY 238 HA2 0.02 0.15 0.32 -0.51 4.01 3.99 2p51A1 GLY 238 HA3 -0.04 0.08 0.07 -0.51 4.01 3.61 2p51A1 SER 239 H -0.05 0.11 -0.25 -0.55 8.46 7.73 2p51A1 SER 239 HA -0.05 0.15 0.33 -0.75 4.49 4.17 2p51A1 SER 239 HB2 -0.05 -0.08 0.00 -0.04 3.95 3.78 2p51A1 SER 239 HB3 -0.05 0.16 -0.02 -0.04 3.93 3.98 2p51A1 ASP 240 H -0.05 0.54 -0.17 -0.55 8.40 8.17 2p51A1 ASP 240 HA -0.06 0.02 0.34 -0.75 4.63 4.18 2p51A1 ASP 240 HB2 -0.06 0.04 -0.03 -0.04 2.71 2.63 2p51A1 ASP 240 HB3 -0.06 -0.05 -0.04 -0.04 2.70 2.52 2p51A1 ALA 241 H 0.00 0.60 -0.31 -0.55 8.40 8.15 2p51A1 ALA 241 HA 0.04 -0.02 0.19 -0.75 4.34 3.79 2p51A1 ALA 241 HB3 0.06 0.06 -0.10 -0.04 1.41 1.39 2p51A1 LEU 242 H 0.00 0.47 -0.25 -0.55 8.37 8.05 2p51A1 LEU 242 HA 0.04 0.09 0.46 -0.75 4.35 4.19 2p51A1 LEU 242 HB2 -0.01 0.04 -0.02 -0.04 1.64 1.61 2p51A1 LEU 242 HB3 -0.02 0.08 0.12 -0.04 1.64 1.78 2p51A1 LEU 242 HG -0.00 -0.04 -0.24 -0.04 1.64 1.31 2p51A1 LEU 242 HD13 0.01 0.04 0.04 -0.04 0.93 0.99 2p51A1 LEU 242 HD23 -0.04 -0.00 -0.07 -0.04 0.89 0.74 2p51A1 LEU 243 H -0.02 0.56 -0.16 -0.55 8.37 8.21 2p51A1 LEU 243 HA 0.00 0.08 0.46 -0.75 4.35 4.14 2p51A1 LEU 243 HB2 -0.05 0.09 0.05 -0.04 1.64 1.68 2p51A1 LEU 243 HB3 -0.05 0.00 -0.01 -0.04 1.64 1.54 2p51A1 LEU 243 HG -0.05 -0.05 -0.17 -0.04 1.64 1.33 2p51A1 LEU 243 HD13 -0.04 0.02 -0.17 -0.04 0.93 0.70 2p51A1 LEU 243 HD23 -0.08 -0.03 -0.13 -0.04 0.89 0.60 2p51A1 THR 244 H 0.01 0.52 -0.31 -0.55 8.28 7.95 2p51A1 THR 244 HA 0.04 -0.08 0.38 -0.75 4.39 3.98 2p51A1 THR 244 HB 0.06 0.24 0.08 -0.04 4.32 4.66 2p51A1 THR 244 HG23 0.12 -0.03 -0.24 -0.04 1.22 1.03 2p51A1 ALA 245 H 0.09 0.57 -0.19 -0.55 8.40 8.32 2p51A1 ALA 245 HA 0.16 -0.03 0.35 -0.75 4.34 4.07 2p51A1 ALA 245 HB3 0.19 0.06 0.06 -0.04 1.41 1.68 2p51A1 ARG 246 H 0.12 0.52 -0.19 -0.55 8.46 8.36 2p51A1 ARG 246 HA 0.23 0.06 0.36 -0.75 4.34 4.23 2p51A1 ARG 246 HB2 0.07 0.03 0.10 -0.04 1.90 2.05 2p51A1 ARG 246 HB3 0.08 -0.04 0.02 -0.04 1.80 1.82 2p51A1 ARG 246 HG2 0.08 0.01 0.03 -0.04 1.67 1.75 2p51A1 ARG 246 HG3 0.08 0.23 0.10 -0.04 1.67 2.04 2p51A1 ARG 246 HD2 0.02 -0.03 -0.07 -0.04 3.22 3.10 2p51A1 ARG 246 HD3 0.04 -0.02 -0.00 -0.04 3.22 3.20 2p51A1 ILE 247 H 0.09 0.68 -0.13 -0.55 8.25 8.35 2p51A1 ILE 247 HA 0.07 0.03 0.47 -0.75 4.18 4.00 2p51A1 ILE 247 HB 0.08 0.09 0.11 -0.04 1.89 2.13 2p51A1 ILE 247 HG12 0.03 -0.03 -0.11 -0.04 1.49 1.33 2p51A1 ILE 247 HG13 0.03 0.10 -0.02 -0.04 1.21 1.27 2p51A1 ILE 247 HG23 0.11 -0.03 -0.16 -0.04 0.93 0.80 2p51A1 ILE 247 HD13 -0.06 -0.03 -0.09 -0.04 0.88 0.66 2p51A1 PHE 248 H 0.21 0.61 -0.24 -0.55 8.34 8.37 2p51A1 PHE 248 HA -0.03 -0.08 0.34 -0.75 4.62 4.09 2p51A1 PHE 248 HB2 -0.07 -0.07 0.07 -0.04 3.15 3.05 2p51A1 PHE 248 HB3 -0.24 0.22 0.14 -0.04 3.06 3.14 2p51A1 PHE 248 HD2 -0.87 -0.00 -0.10 -0.04 7.28 6.27 2p51A1 PHE 248 HE2 -0.54 0.01 -0.11 -0.04 7.38 6.70 2p51A1 PHE 248 HZ -0.42 0.01 -0.10 -0.04 7.32 6.77 2p51A1 PHE 249 H 0.22 0.56 -0.15 -0.55 8.34 8.42 2p51A1 PHE 249 HA -0.24 0.01 0.27 -0.75 4.62 3.90 2p51A1 PHE 249 HB2 0.04 0.11 0.09 -0.04 3.15 3.36 2p51A1 PHE 249 HB3 -0.00 0.00 -0.05 -0.04 3.06 2.98 2p51A1 PHE 249 HD2 0.10 0.13 -0.08 -0.04 7.28 7.39 2p51A1 PHE 249 HE2 0.17 0.08 -0.13 -0.04 7.38 7.45 2p51A1 PHE 249 HZ 0.17 0.11 -0.09 -0.04 7.32 7.46 2p51A1 GLU 250 H 0.08 0.45 -0.28 -0.55 8.60 8.30 2p51A1 GLU 250 HA -0.01 0.05 0.44 -0.75 4.29 4.02 2p51A1 GLU 250 HB2 0.04 0.08 0.09 -0.04 2.09 2.26 2p51A1 GLU 250 HB3 0.03 0.02 0.11 -0.04 1.99 2.11 2p51A1 GLU 250 HG2 0.00 0.06 -0.02 -0.04 2.34 2.35 2p51A1 GLU 250 HG3 -0.05 -0.07 -0.13 -0.04 2.34 2.04 2p51A1 ILE 251 H -0.04 0.73 -0.06 -0.55 8.25 8.34 2p51A1 ILE 251 HA -0.07 0.00 0.48 -0.75 4.18 3.83 2p51A1 ILE 251 HB -0.01 0.17 0.16 -0.04 1.89 2.16 2p51A1 ILE 251 HG12 0.29 -0.04 -0.00 -0.04 1.49 1.70 2p51A1 ILE 251 HG13 0.12 0.07 0.03 -0.04 1.21 1.38 2p51A1 ILE 251 HG23 0.26 -0.03 -0.17 -0.04 0.93 0.95 2p51A1 ILE 251 HD13 0.17 -0.04 -0.10 -0.04 0.88 0.87 2p51A1 ARG 252 H -0.33 0.68 -0.17 -0.55 8.46 8.10 2p51A1 ARG 252 HA -0.04 -0.05 0.26 -0.75 4.34 3.76 2p51A1 ARG 252 HB2 -0.93 0.07 0.02 -0.04 1.90 1.02 2p51A1 ARG 252 HB3 -0.27 0.17 0.03 -0.04 1.80 1.69 2p51A1 ARG 252 HG2 -0.09 -0.11 -0.46 -0.04 1.67 0.98 2p51A1 ARG 252 HG3 -0.29 -0.12 -0.21 -0.04 1.67 1.00 2p51A1 ARG 252 HD2 -0.07 -0.05 -0.13 -0.04 3.22 2.93 2p51A1 ARG 252 HD3 -0.43 -0.03 -0.10 -0.04 3.22 2.62 2p51A1 SER 253 H -0.09 0.61 -0.23 -0.55 8.46 8.21 2p51A1 SER 253 HA -0.03 -0.06 0.49 -0.75 4.49 4.14 2p51A1 SER 253 HB2 -0.01 0.05 0.11 -0.04 3.95 4.05 2p51A1 SER 253 HB3 -0.07 0.12 0.19 -0.04 3.93 4.13 2p51A1 ARG 254 H -0.26 0.62 -0.03 -0.55 8.46 8.24 2p51A1 ARG 254 HA -0.24 0.07 0.42 -0.75 4.34 3.84 2p51A1 ARG 254 HB2 -1.19 0.00 0.13 -0.04 1.90 0.81 2p51A1 ARG 254 HB3 -0.92 -0.05 0.00 -0.04 1.80 0.79 2p51A1 ARG 254 HG2 -0.20 -0.04 0.01 -0.04 1.67 1.40 2p51A1 ARG 254 HG3 -0.24 0.19 0.08 -0.04 1.67 1.65 2p51A1 ARG 254 HD2 -0.23 -0.04 -0.03 -0.04 3.22 2.88 2p51A1 ARG 254 HD3 -0.14 -0.03 0.00 -0.04 3.22 3.00 2p51A1 TYR 255 H -0.23 0.64 -0.02 -0.55 8.29 8.13 2p51A1 TYR 255 HA -0.19 0.20 0.82 -0.75 4.56 4.64 2p51A1 TYR 255 HB2 -0.34 0.01 0.01 -0.04 3.06 2.70 2p51A1 TYR 255 HB3 -0.40 -0.02 0.10 -0.04 2.98 2.62 2p51A1 TYR 255 HD2 -0.03 0.03 -0.07 -0.04 7.15 7.04 2p51A1 TYR 255 HE2 -0.01 -0.02 -0.04 -0.04 6.85 6.74 2p51A1 PHE 256 H 0.07 0.27 -0.13 -0.55 8.34 8.00 2p51A1 PHE 256 HA 0.02 0.20 0.90 -0.75 4.62 4.99 2p51A1 PHE 256 HB2 -0.07 0.05 -0.04 -0.04 3.15 3.04 2p51A1 PHE 256 HB3 -0.02 0.27 0.04 -0.04 3.06 3.31 2p51A1 PHE 256 HD2 0.00 0.11 -0.07 -0.04 7.28 7.29 2p51A1 PHE 256 HE2 0.06 -0.03 -0.06 -0.04 7.38 7.30 2p51A1 PHE 256 HZ 0.04 -0.01 -0.05 -0.04 7.32 7.25 2p51A1 ASP 257 H 0.00 0.17 -0.19 -0.55 8.40 7.84 2p51A1 ASP 257 HA 0.00 0.15 0.34 -0.75 4.63 4.37 2p51A1 ASP 257 HB2 0.01 -0.02 -0.11 -0.04 2.71 2.56 2p51A1 ASP 257 HB3 0.04 0.08 -0.01 -0.04 2.70 2.76 2p51A1 GLY 258 H 0.04 0.45 -0.31 -0.55 8.43 8.07 2p51A1 GLY 258 HA2 0.02 -0.05 0.14 -0.51 4.01 3.61 2p51A1 GLY 258 HA3 0.03 0.13 0.52 -0.51 4.01 4.17 2p51A1 SER 259 H 0.08 0.60 -0.35 -0.55 8.46 8.25 2p51A1 SER 259 HA 0.03 0.08 0.77 -0.75 4.49 4.62 2p51A1 SER 259 HB2 0.05 0.00 -0.19 -0.04 3.95 3.77 2p51A1 SER 259 HB3 0.07 0.00 0.09 -0.04 3.93 4.05 2p51A1 ILE 260 H -0.07 0.14 0.04 -0.55 8.25 7.80 2p51A1 ILE 260 HA -0.52 0.04 0.33 -0.75 4.18 3.27 2p51A1 ILE 260 HB -0.25 0.01 0.03 -0.04 1.89 1.65 2p51A1 ILE 260 HG12 -0.40 0.01 -0.05 -0.04 1.49 1.01 2p51A1 ILE 260 HG13 -0.33 0.01 -0.06 -0.04 1.21 0.79 2p51A1 ILE 260 HG23 -0.69 0.01 -0.18 -0.04 0.93 0.03 2p51A1 ILE 260 HD13 -0.84 -0.00 -0.08 -0.04 0.88 -0.08 2p51A1 ASP 261 H -0.37 0.10 0.17 -0.55 8.40 7.75 2p51A1 ASP 261 HA 0.10 0.09 0.52 -0.75 4.63 4.59 2p51A1 ASP 261 HB2 0.37 0.13 0.16 -0.04 2.71 3.34 2p51A1 ASP 261 HB3 0.19 -0.05 0.13 -0.04 2.70 2.93 2p51A1 SER 262 H 0.10 0.19 0.20 -0.55 8.46 8.41 2p51A1 SER 262 HA 0.16 0.10 0.23 -0.75 4.49 4.24 2p51A1 SER 262 HB2 0.08 0.04 0.12 -0.04 3.95 4.15 2p51A1 SER 262 HB3 0.09 0.07 0.15 -0.04 3.93 4.20 2p51A1 ARG 263 H 0.12 0.04 -0.36 -0.55 8.46 7.71 2p51A1 ARG 263 HA 0.10 0.12 0.39 -0.75 4.34 4.19 2p51A1 ARG 263 HB2 0.15 -0.00 -0.02 -0.04 1.90 1.98 2p51A1 ARG 263 HB3 0.13 0.02 0.08 -0.04 1.80 1.99 2p51A1 ARG 263 HG2 0.08 0.04 0.01 -0.04 1.67 1.76 2p51A1 ARG 263 HG3 0.09 -0.09 0.01 -0.04 1.67 1.64 2p51A1 ARG 263 HD2 0.09 0.02 0.00 -0.04 3.22 3.28 2p51A1 ARG 263 HD3 0.07 0.01 0.00 -0.04 3.22 3.26 2p51A1 MET 264 H 0.20 0.47 -0.45 -0.55 8.47 8.14 2p51A1 MET 264 HA 0.29 0.22 1.04 -0.75 4.52 5.31 2p51A1 MET 264 HB2 0.22 0.18 0.04 -0.04 2.15 2.55 2p51A1 MET 264 HB3 0.37 -0.14 0.07 -0.04 2.03 2.29 2p51A1 MET 264 HG2 0.46 0.01 -0.15 -0.04 2.63 2.92 2p51A1 MET 264 HG3 0.25 -0.11 -0.43 -0.04 2.56 2.23 2p51A1 MET 264 HE3 0.35 0.01 -0.00 -0.04 2.10 2.42 2p51A1 LEU 265 H 0.15 0.40 -0.21 -0.55 8.37 8.16 2p51A1 LEU 265 HA -0.30 0.10 0.57 -0.75 4.35 3.97 2p51A1 LEU 265 HB2 0.03 0.06 0.19 -0.04 1.64 1.88 2p51A1 LEU 265 HB3 -0.02 0.00 0.08 -0.04 1.64 1.67 2p51A1 LEU 265 HG -0.15 0.02 0.03 -0.04 1.64 1.50 2p51A1 LEU 265 HD13 -0.42 0.02 0.04 -0.04 0.93 0.53 2p51A1 LEU 265 HD23 -0.02 0.00 0.05 -0.04 0.89 0.88 2p51A1 ASN 266 H -0.18 0.70 0.38 -0.55 8.53 8.88 2p51A1 ASN 266 HA -0.06 -0.06 0.23 -0.75 4.76 4.12 2p51A1 ASN 266 HB2 0.01 0.15 -0.07 -0.04 2.88 2.92 2p51A1 ASN 266 HB3 -0.08 -0.07 0.14 -0.04 2.79 2.74 2p51A1 ASN 266 HD21 -0.12 0.48 0.06 -0.04 7.03 7.41 2p51A1 ASN 266 HD22 -0.12 -0.09 -0.01 -0.04 7.74 7.49 2p51A1 GLN 267 H -0.08 0.29 -0.24 -0.55 8.47 7.90 2p51A1 GLN 267 HA -0.13 0.22 0.96 -0.75 4.36 4.65 2p51A1 GLN 267 HB2 -1.27 -0.08 0.05 -0.04 2.15 0.81 2p51A1 GLN 267 HB3 -1.08 -0.06 -0.06 -0.04 2.02 0.78 2p51A1 GLN 267 HG2 -0.15 0.16 -0.44 -0.04 2.40 1.93 2p51A1 GLN 267 HG3 -0.30 0.03 -0.04 -0.04 2.39 2.04 2p51A1 GLN 267 HE21 -0.01 -0.11 -0.07 -0.04 6.97 6.73 2p51A1 GLN 267 HE22 -0.01 0.38 -0.17 -0.04 7.69 7.84 2p51A1 LEU 268 H 0.03 0.26 0.05 -0.55 8.37 8.16 2p51A1 LEU 268 HA 0.16 0.02 0.69 -0.75 4.35 4.46 2p51A1 LEU 268 HB2 0.21 0.03 -0.00 -0.04 1.64 1.84 2p51A1 LEU 268 HB3 0.25 -0.12 -0.09 -0.04 1.64 1.64 2p51A1 LEU 268 HG 0.29 0.15 -0.16 -0.04 1.64 1.87 2p51A1 LEU 268 HD13 0.41 -0.01 -0.15 -0.04 0.93 1.13 2p51A1 LEU 268 HD23 0.24 -0.00 -0.33 -0.04 0.89 0.76 2p51A1 TYR 269 H 0.24 -0.09 0.16 -0.55 8.29 8.05 2p51A1 TYR 269 HA 0.13 0.15 0.42 -0.75 4.56 4.51 2p51A1 TYR 269 HB2 -0.07 -0.13 0.04 -0.04 3.06 2.85 2p51A1 TYR 269 HB3 -0.20 -0.16 0.12 -0.04 2.98 2.70 2p51A1 TYR 269 HD2 -0.58 -0.04 -0.10 -0.04 7.15 6.39 2p51A1 TYR 269 HE2 -0.19 0.06 -0.05 -0.04 6.85 6.63 2p51A1 GLY 270 H -0.51 0.21 0.17 -0.55 8.43 7.75 2p51A1 GLY 270 HA2 -0.39 0.03 0.31 -0.51 4.01 3.45 2p51A1 GLY 270 HA3 -0.35 0.04 0.29 -0.51 4.01 3.48 2p51A1 LEU 271 H -0.13 0.41 -0.41 -0.55 8.37 7.69 2p51A1 LEU 271 HA -0.30 0.16 0.72 -0.75 4.35 4.18 2p51A1 LEU 271 HB2 -0.11 0.04 -0.18 -0.04 1.64 1.35 2p51A1 LEU 271 HB3 -0.99 0.01 -0.04 -0.04 1.64 0.58 2p51A1 LEU 271 HG -0.02 0.04 -0.50 -0.04 1.64 1.13 2p51A1 LEU 271 HD13 0.16 -0.02 -0.11 -0.04 0.93 0.92 2p51A1 LEU 271 HD23 -0.15 0.02 -0.07 -0.04 0.89 0.66