============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 10 1.000 96.094 20.709 41.267 -99.200 -91.000 PHE 15 1.000 100.348 15.600 48.735 -99.200 -91.000 TYR 43 0.840 95.796 24.433 45.516 -99.200 -91.000 TRP 49 1.040 93.115 17.329 33.775 -99.200 -91.000 TRP6 49 1.020 91.050 16.671 32.840 -99.200 -91.000 TYR 66 0.840 78.585 26.366 48.440 -99.200 -91.000 TYR 69 0.840 77.706 27.841 56.262 -99.200 -91.000 PHE 71 1.000 69.413 31.589 49.327 -99.200 -91.000 PHE 74 1.000 65.819 25.627 51.196 -99.200 -91.000 HIS 78 0.900 61.128 16.879 49.790 -99.200 -91.000 PHE 83 1.000 57.235 8.207 37.318 -99.200 -91.000 PHE 95 1.000 61.451 35.430 54.839 -99.200 -91.000 TYR 117 0.840 68.280 10.022 48.856 -99.200 -91.000 PHE 120 1.000 77.517 8.939 41.697 -99.200 -91.000 HIS 124 0.900 66.260 9.597 36.647 -99.200 -91.000 TYR 128 0.840 66.636 18.833 34.260 -99.200 -91.000 PHE 141 1.000 52.232 32.547 45.992 -99.200 -91.000 PHE 146 1.000 68.920 34.669 44.540 -99.200 -91.000 PHE 148 1.000 72.992 27.666 45.364 -99.200 -91.000 TYR 155 0.840 70.981 7.906 35.215 -99.200 -91.000 TYR 213 0.840 77.109 26.533 31.914 -99.200 -91.000 TRP 226 1.040 92.331 15.389 19.435 -99.200 -91.000 TRP6 226 1.020 91.072 16.807 20.871 -99.200 -91.000 HIS 244 0.900 89.015 33.735 36.206 -99.200 -91.000 HIS 264 0.900 88.407 21.238 48.550 -99.200 -91.000 PHE 278 1.000 73.248 33.302 45.021 -99.200 -91.000 PHE 298 1.000 64.043 37.948 22.565 -99.200 -91.000 PHE 301 1.000 70.197 32.695 28.342 -99.200 -91.000 TYR 307 0.840 75.815 35.905 13.533 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f9iA1 LEU -5 HA 0.02 -0.04 0.20 -0.75 4.35 3.78 2f9iA1 LEU -5 HB2 0.10 -0.12 -0.15 -0.04 1.64 1.43 2f9iA1 LEU -5 HB3 0.04 0.01 -0.19 -0.04 1.64 1.47 2f9iA1 LEU -5 HG 0.17 -0.09 -0.02 -0.04 1.64 1.65 2f9iA1 LEU -5 HD13 0.15 -0.01 -0.08 -0.04 0.93 0.95 2f9iA1 LEU -5 HD23 0.08 0.01 -0.09 -0.04 0.89 0.85 2f9iA1 VAL -4 H -0.00 0.44 0.09 -0.55 8.24 8.22 2f9iA1 VAL -4 HA 0.00 0.11 0.54 -0.75 4.13 4.03 2f9iA1 VAL -4 HB -0.03 -0.13 0.13 -0.04 2.12 2.05 2f9iA1 VAL -4 HG13 -0.02 0.02 -0.13 -0.04 0.97 0.80 2f9iA1 VAL -4 HG23 -0.04 -0.01 -0.09 -0.04 0.95 0.76 2f9iA1 PRO -3 HA 0.01 -0.06 0.48 -0.51 4.44 4.36 2f9iA1 PRO -3 HB2 0.01 0.06 0.07 -0.04 2.28 2.38 2f9iA1 PRO -3 HB3 0.02 0.03 0.15 -0.04 2.02 2.18 2f9iA1 PRO -3 HG2 -0.00 -0.03 0.09 -0.04 2.03 2.04 2f9iA1 PRO -3 HG3 0.01 0.02 0.10 -0.04 2.03 2.12 2f9iA1 PRO -3 HD2 0.01 0.01 0.26 -0.04 3.68 3.91 2f9iA1 PRO -3 HD3 0.02 0.33 0.29 -0.04 3.65 4.25 2f9iA1 ARG -2 H 0.00 0.04 0.18 -0.55 8.46 8.14 2f9iA1 ARG -2 HA -0.01 0.04 0.41 -0.75 4.34 4.03 2f9iA1 ARG -2 HB2 0.00 -0.02 0.11 -0.04 1.90 1.95 2f9iA1 ARG -2 HB3 0.00 0.03 0.09 -0.04 1.80 1.89 2f9iA1 ARG -2 HG2 -0.02 -0.03 0.02 -0.04 1.67 1.60 2f9iA1 ARG -2 HG3 -0.00 -0.03 0.07 -0.04 1.67 1.66 2f9iA1 ARG -2 HD2 -0.00 0.05 0.00 -0.04 3.22 3.23 2f9iA1 ARG -2 HD3 -0.00 -0.01 0.02 -0.04 3.22 3.18 2f9iA1 GLY -1 H 0.01 0.14 0.04 -0.55 8.43 8.09 2f9iA1 GLY -1 HA2 0.04 -0.02 0.31 -0.51 4.01 3.84 2f9iA1 GLY -1 HA3 0.02 0.11 0.48 -0.51 4.01 4.11 2f9iA1 SER 0 H -0.01 0.32 -0.28 -0.55 8.46 7.95 2f9iA1 SER 0 HA -0.06 -0.07 0.18 -0.75 4.49 3.79 2f9iA1 SER 0 HB2 -0.05 -0.00 0.03 -0.04 3.95 3.88 2f9iA1 SER 0 HB3 -0.03 -0.02 0.07 -0.04 3.93 3.91 2f9iA1 MET 1 H -0.20 0.06 0.15 -0.55 8.47 7.93 2f9iA1 MET 1 HA -0.03 0.11 0.60 -0.75 4.52 4.44 2f9iA1 LEU 2 H -0.13 0.13 0.14 -0.55 8.37 7.97 2f9iA1 LEU 2 HA -0.09 0.13 0.44 -0.75 4.35 4.08 2f9iA1 LEU 2 HB2 -0.85 -0.06 0.05 -0.04 1.64 0.74 2f9iA1 LEU 2 HB3 -0.19 -0.05 0.10 -0.04 1.64 1.46 2f9iA1 LEU 2 HG -0.08 0.03 0.07 -0.04 1.64 1.62 2f9iA1 LEU 2 HD13 0.11 0.02 -0.02 -0.04 0.93 0.99 2f9iA1 LEU 2 HD23 0.00 0.02 -0.09 -0.04 0.89 0.79 2f9iA1 ASP 3 H 0.01 0.19 0.17 -0.55 8.40 8.21 2f9iA1 ASP 3 HA -0.04 0.14 0.41 -0.75 4.63 4.39 2f9iA1 ASP 3 HB2 0.08 0.04 0.07 -0.04 2.71 2.85 2f9iA1 ASP 3 HB3 0.05 0.07 0.13 -0.04 2.70 2.91 2f9iA1 PHE 4 H -0.00 0.08 -0.25 -0.55 8.34 7.62 2f9iA1 PHE 4 HA 0.02 0.15 0.45 -0.75 4.62 4.49 2f9iA1 PHE 4 HB2 -0.02 0.08 0.15 -0.04 3.15 3.31 2f9iA1 PHE 4 HB3 0.03 -0.05 0.07 -0.04 3.06 3.07 2f9iA1 PHE 4 HD2 -0.09 -0.01 -0.08 -0.04 7.28 7.06 2f9iA1 PHE 4 HE2 -0.32 0.06 -0.03 -0.04 7.38 7.05 2f9iA1 PHE 4 HZ 0.15 0.08 -0.04 -0.04 7.32 7.47 2f9iA1 GLU 5 H -0.28 0.38 -0.59 -0.55 8.60 7.56 2f9iA1 GLU 5 HA -0.02 0.16 0.73 -0.75 4.29 4.41 2f9iA1 GLU 5 HB2 0.09 0.21 0.01 -0.04 2.09 2.35 2f9iA1 GLU 5 HB3 0.30 -0.04 0.11 -0.04 1.99 2.32 2f9iA1 GLU 5 HG2 -0.31 0.06 -0.06 -0.04 2.34 1.99 2f9iA1 GLU 5 HG3 -0.75 -0.13 -0.03 -0.04 2.34 1.39 2f9iA1 LYS 6 H 0.03 0.40 -0.23 -0.55 8.42 8.07 2f9iA1 LYS 6 HA 0.11 -0.01 0.29 -0.75 4.32 3.96 2f9iA1 LYS 6 HB2 0.05 0.06 0.12 -0.04 1.87 2.06 2f9iA1 LYS 6 HB3 0.04 -0.05 -0.00 -0.04 1.79 1.74 2f9iA1 LYS 6 HG2 0.01 0.43 0.25 -0.04 1.46 2.10 2f9iA1 LYS 6 HG3 0.00 -0.04 0.07 -0.04 1.46 1.45 2f9iA1 LYS 6 HD2 -0.06 -0.04 0.01 -0.04 1.69 1.56 2f9iA1 LYS 6 HD3 -0.07 -0.06 -0.05 -0.04 1.68 1.46 2f9iA1 LYS 6 HE2 -0.05 -0.09 0.03 -0.04 2.99 2.83 2f9iA1 LYS 6 HE3 -0.05 -0.01 0.01 -0.04 2.99 2.90 2f9iA1 PRO 7 HA 0.05 0.03 0.43 -0.51 4.44 4.44 2f9iA1 PRO 7 HB2 0.04 0.05 -0.02 -0.04 2.28 2.31 2f9iA1 PRO 7 HB3 0.03 0.04 0.04 -0.04 2.02 2.09 2f9iA1 PRO 7 HG2 0.05 0.12 0.02 -0.04 2.03 2.18 2f9iA1 PRO 7 HG3 0.04 0.03 0.04 -0.04 2.03 2.11 2f9iA1 PRO 7 HD2 0.07 0.13 -0.32 -0.04 3.68 3.52 2f9iA1 PRO 7 HD3 0.06 0.10 0.04 -0.04 3.65 3.82 2f9iA1 LEU 8 H 0.07 0.29 -0.31 -0.55 8.37 7.87 2f9iA1 LEU 8 HA -0.02 0.02 0.35 -0.75 4.35 3.94 2f9iA1 LEU 8 HB2 -0.11 0.11 0.13 -0.04 1.64 1.72 2f9iA1 LEU 8 HB3 -0.15 -0.02 0.04 -0.04 1.64 1.47 2f9iA1 LEU 8 HG 0.04 -0.01 0.05 -0.04 1.64 1.67 2f9iA1 LEU 8 HD13 0.10 -0.00 0.04 -0.04 0.93 1.02 2f9iA1 LEU 8 HD23 0.02 0.02 -0.22 -0.04 0.89 0.67 2f9iA1 PHE 9 H 0.28 0.40 -0.07 -0.55 8.34 8.40 2f9iA1 PHE 9 HA 0.00 0.04 0.50 -0.75 4.62 4.41 2f9iA1 PHE 9 HB2 -0.01 0.05 0.09 -0.04 3.15 3.24 2f9iA1 PHE 9 HB3 -0.01 -0.02 -0.01 -0.04 3.06 2.98 2f9iA1 PHE 9 HD2 -0.02 0.12 -0.09 -0.04 7.28 7.24 2f9iA1 PHE 9 HE2 -0.03 -0.02 -0.02 -0.04 7.38 7.27 2f9iA1 PHE 9 HZ -0.02 0.05 -0.01 -0.04 7.32 7.30 2f9iA1 GLU 10 H 0.14 0.74 0.03 -0.55 8.60 8.96 2f9iA1 GLU 10 HA 0.07 -0.00 0.57 -0.75 4.29 4.17 2f9iA1 GLU 10 HB2 0.05 0.11 0.17 -0.04 2.09 2.38 2f9iA1 GLU 10 HB3 0.04 -0.04 0.01 -0.04 1.99 1.96 2f9iA1 GLU 10 HG2 0.05 -0.05 0.02 -0.04 2.34 2.32 2f9iA1 GLU 10 HG3 0.08 0.23 -0.02 -0.04 2.34 2.58 2f9iA1 ILE 11 H 0.03 0.70 -0.05 -0.55 8.25 8.37 2f9iA1 ILE 11 HA 0.01 -0.02 0.36 -0.75 4.18 3.78 2f9iA1 ILE 11 HB -0.01 0.12 0.12 -0.04 1.89 2.08 2f9iA1 ILE 11 HG12 0.01 -0.06 0.01 -0.04 1.49 1.41 2f9iA1 ILE 11 HG13 0.02 0.14 0.09 -0.04 1.21 1.42 2f9iA1 ILE 11 HG23 -0.01 -0.03 -0.04 -0.04 0.93 0.81 2f9iA1 ILE 11 HD13 0.01 -0.03 -0.11 -0.04 0.88 0.71 2f9iA1 ARG 12 H -0.00 0.25 -0.53 -0.55 8.46 7.63 2f9iA1 ARG 12 HA -0.03 -0.01 0.33 -0.75 4.34 3.88 2f9iA1 ARG 12 HB2 -0.10 0.20 0.26 -0.04 1.90 2.21 2f9iA1 ARG 12 HB3 0.02 0.08 0.16 -0.04 1.80 2.02 2f9iA1 ARG 12 HG2 -0.07 -0.03 -0.02 -0.04 1.67 1.50 2f9iA1 ARG 12 HG3 -0.04 -0.03 -0.04 -0.04 1.67 1.52 2f9iA1 ARG 12 HD2 -0.12 -0.03 -0.03 -0.04 3.22 3.01 2f9iA1 ARG 12 HD3 -0.11 0.01 -0.01 -0.04 3.22 3.07 2f9iA1 ASN 13 H 0.03 0.40 -0.07 -0.55 8.53 8.35 2f9iA1 ASN 13 HA 0.02 0.01 0.37 -0.75 4.76 4.42 2f9iA1 ASN 13 HB2 0.03 0.05 0.20 -0.04 2.88 3.11 2f9iA1 ASN 13 HB3 0.03 -0.04 0.11 -0.04 2.79 2.85 2f9iA1 ASN 13 HD21 0.07 -0.07 0.01 -0.04 7.03 7.00 2f9iA1 ASN 13 HD22 0.04 0.02 0.19 -0.04 7.74 7.95 2f9iA1 LYS 14 H 0.01 0.33 -0.18 -0.55 8.42 8.03 2f9iA1 LYS 14 HA 0.01 0.02 0.04 -0.75 4.32 3.63 2f9iA1 LYS 14 HB2 0.01 0.08 0.05 -0.04 1.87 1.97 2f9iA1 LYS 14 HB3 0.01 -0.01 -0.04 -0.04 1.79 1.71 2f9iA1 LYS 14 HG2 0.01 -0.05 0.02 -0.04 1.46 1.40 2f9iA1 LYS 14 HG3 0.02 0.21 0.10 -0.04 1.46 1.75 2f9iA1 LYS 14 HD2 0.01 -0.01 -0.07 -0.04 1.69 1.58 2f9iA1 LYS 14 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.59 2f9iA1 LYS 14 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.92 2f9iA1 LYS 14 HE3 0.02 0.02 -0.07 -0.04 2.99 2.92 2f9iA1 ILE 15 H 0.00 0.41 -0.16 -0.55 8.25 7.96 2f9iA1 ILE 15 HA -0.00 -0.03 0.35 -0.75 4.18 3.75 2f9iA1 ILE 15 HB -0.01 0.29 0.13 -0.04 1.89 2.27 2f9iA1 ILE 15 HG12 -0.00 -0.06 0.00 -0.04 1.49 1.38 2f9iA1 ILE 15 HG13 -0.00 0.19 0.06 -0.04 1.21 1.42 2f9iA1 ILE 15 HG23 -0.01 -0.04 -0.06 -0.04 0.93 0.79 2f9iA1 ILE 15 HD13 -0.02 -0.01 -0.13 -0.04 0.88 0.68 2f9iA1 GLU 16 H 0.00 0.81 -0.08 -0.55 8.60 8.79 2f9iA1 GLU 16 HA 0.00 -0.03 0.07 -0.75 4.29 3.58 2f9iA1 SER 17 H 0.01 0.20 -0.66 -0.55 8.46 7.46 2f9iA1 SER 17 HA 0.01 -0.04 0.22 -0.75 4.49 3.92 2f9iA1 SER 17 HB2 0.01 -0.06 -0.21 -0.04 3.95 3.65 2f9iA1 SER 17 HB3 0.01 0.09 0.07 -0.04 3.93 4.06 2f9iA1 LEU 18 H 0.00 0.25 -0.22 -0.55 8.37 7.85 2f9iA1 LEU 18 HA 0.00 0.05 0.26 -0.75 4.35 3.90 2f9iA1 GLN 30 HA -0.00 0.03 0.29 -0.75 4.36 3.93 2f9iA1 GLU 31 H -0.00 0.19 0.13 -0.55 8.60 8.37 2f9iA1 GLU 31 HA -0.00 0.04 0.42 -0.75 4.29 4.00 2f9iA1 GLU 31 HB2 -0.00 0.02 0.16 -0.04 2.09 2.23 2f9iA1 GLU 31 HB3 0.00 0.02 0.06 -0.04 1.99 2.03 2f9iA1 GLU 31 HG2 0.00 0.00 -0.06 -0.04 2.34 2.25 2f9iA1 GLU 31 HG3 -0.00 0.00 0.08 -0.04 2.34 2.38 2f9iA1 GLU 32 H 0.00 0.16 -0.61 -0.55 8.60 7.61 2f9iA1 GLU 32 HA 0.00 0.08 0.52 -0.75 4.29 4.14 2f9iA1 GLU 32 HB2 0.00 0.11 0.00 -0.04 2.09 2.16 2f9iA1 GLU 32 HB3 0.00 0.01 -0.04 -0.04 1.99 1.92 2f9iA1 GLU 32 HG2 0.00 0.04 -0.03 -0.04 2.34 2.31 2f9iA1 GLU 32 HG3 0.00 -0.01 -0.05 -0.04 2.34 2.25 2f9iA1 ILE 33 H -0.00 0.41 0.09 -0.55 8.25 8.20 2f9iA1 ILE 33 HA -0.00 0.10 0.36 -0.75 4.18 3.89 2f9iA1 ILE 33 HB -0.00 -0.05 0.25 -0.04 1.89 2.05 2f9iA1 ILE 33 HG12 0.00 0.03 0.24 -0.04 1.49 1.73 2f9iA1 ILE 33 HG13 0.00 -0.02 0.39 -0.04 1.21 1.53 2f9iA1 ILE 33 HG23 -0.00 0.03 0.02 -0.04 0.93 0.94 2f9iA1 ILE 33 HD13 -0.00 -0.00 -0.01 -0.04 0.88 0.82 2f9iA1 ASP 34 H -0.00 0.28 -0.01 -0.55 8.40 8.12 2f9iA1 ASP 34 HA -0.00 0.00 0.57 -0.75 4.63 4.44 2f9iA1 ASP 34 HB2 -0.00 0.12 -0.39 -0.04 2.71 2.40 2f9iA1 ASP 34 HB3 -0.00 -0.02 0.01 -0.04 2.70 2.64 2f9iA1 MET 35 H -0.00 0.20 -0.49 -0.55 8.47 7.64 2f9iA1 MET 35 HA -0.00 0.03 0.73 -0.75 4.52 4.52 2f9iA1 MET 35 HB2 0.00 0.12 0.27 -0.04 2.15 2.50 2f9iA1 MET 35 HB3 0.00 0.20 0.26 -0.04 2.03 2.45 2f9iA1 MET 35 HG2 0.00 -0.03 0.02 -0.04 2.63 2.58 2f9iA1 MET 35 HG3 0.00 -0.03 -0.12 -0.04 2.56 2.37 2f9iA1 MET 35 HE3 0.00 -0.02 0.00 -0.04 2.10 2.04 2f9iA1 LEU 36 H -0.00 0.64 0.03 -0.55 8.37 8.49 2f9iA1 LEU 36 HA 0.00 -0.02 0.43 -0.75 4.35 4.01 2f9iA1 LEU 36 HB2 -0.00 0.29 0.29 -0.04 1.64 2.18 2f9iA1 LEU 36 HB3 -0.00 -0.03 0.03 -0.04 1.64 1.60 2f9iA1 LEU 36 HG 0.00 -0.06 0.01 -0.04 1.64 1.55 2f9iA1 LEU 36 HD13 0.00 0.07 0.00 -0.04 0.93 0.97 2f9iA1 LEU 36 HD23 0.00 -0.02 -0.05 -0.04 0.89 0.78 2f9iA1 GLU 37 H -0.00 0.39 0.16 -0.55 8.60 8.60 2f9iA1 GLU 37 HA -0.01 0.04 0.48 -0.75 4.29 4.05 2f9iA1 GLU 37 HB2 -0.01 -0.01 0.25 -0.04 2.09 2.28 2f9iA1 GLU 37 HB3 -0.01 -0.01 0.04 -0.04 1.99 1.97 2f9iA1 GLU 37 HG2 -0.01 0.00 0.04 -0.04 2.34 2.33 2f9iA1 GLU 37 HG3 -0.01 0.12 0.01 -0.04 2.34 2.42 2f9iA1 ALA 38 H -0.00 0.63 -0.17 -0.55 8.40 8.30 2f9iA1 ALA 38 HA -0.00 0.01 0.48 -0.75 4.34 4.07 2f9iA1 ALA 38 HB3 -0.00 0.03 0.12 -0.04 1.41 1.51 2f9iA1 SER 39 H -0.00 0.41 -0.31 -0.55 8.46 8.01 2f9iA1 SER 39 HA 0.00 0.02 0.58 -0.75 4.49 4.34 2f9iA1 SER 39 HB2 0.00 0.18 0.10 -0.04 3.95 4.19 2f9iA1 SER 39 HB3 0.00 0.09 0.17 -0.04 3.93 4.15 2f9iA1 LEU 40 H -0.00 0.85 0.03 -0.55 8.37 8.70 2f9iA1 LEU 40 HA -0.00 -0.02 0.45 -0.75 4.35 4.02 2f9iA1 LEU 40 HB2 -0.02 0.08 0.10 -0.04 1.64 1.76 2f9iA1 LEU 40 HB3 -0.02 0.15 0.18 -0.04 1.64 1.91 2f9iA1 LEU 40 HG -0.04 -0.03 -0.16 -0.04 1.64 1.37 2f9iA1 LEU 40 HD13 -0.05 -0.03 0.07 -0.04 0.93 0.88 2f9iA1 LEU 40 HD23 -0.05 0.00 -0.08 -0.04 0.89 0.72 2f9iA1 GLU 41 H -0.00 0.47 -0.21 -0.55 8.60 8.31 2f9iA1 GLU 41 HA 0.00 0.01 0.42 -0.75 4.29 3.97 2f9iA1 GLU 41 HB2 -0.01 0.03 0.11 -0.04 2.09 2.18 2f9iA1 GLU 41 HB3 -0.00 0.14 0.14 -0.04 1.99 2.23 2f9iA1 GLU 41 HG2 0.00 0.01 -0.26 -0.04 2.34 2.06 2f9iA1 GLU 41 HG3 -0.00 -0.06 0.03 -0.04 2.34 2.27 2f9iA1 ARG 42 H 0.01 0.43 -0.26 -0.55 8.46 8.08 2f9iA1 ARG 42 HA 0.01 0.01 0.52 -0.75 4.34 4.13 2f9iA1 ARG 42 HB2 0.01 0.06 0.17 -0.04 1.90 2.10 2f9iA1 ARG 42 HB3 0.01 0.17 0.25 -0.04 1.80 2.18 2f9iA1 ARG 42 HG2 0.01 -0.01 0.00 -0.04 1.67 1.62 2f9iA1 ARG 42 HG3 0.01 -0.02 -0.24 -0.04 1.67 1.38 2f9iA1 ARG 42 HD2 0.01 -0.01 -0.00 -0.04 3.22 3.18 2f9iA1 ARG 42 HD3 0.01 -0.07 0.11 -0.04 3.22 3.23 2f9iA1 GLU 43 H 0.01 0.61 -0.15 -0.55 8.60 8.52 2f9iA1 GLU 43 HA 0.02 0.00 0.39 -0.75 4.29 3.95 2f9iA1 GLU 43 HB2 0.01 0.17 0.10 -0.04 2.09 2.33 2f9iA1 GLU 43 HB3 0.02 0.06 0.03 -0.04 1.99 2.05 2f9iA1 GLU 43 HG2 0.02 -0.01 -0.07 -0.04 2.34 2.23 2f9iA1 GLU 43 HG3 0.02 -0.07 -0.04 -0.04 2.34 2.22 2f9iA1 THR 44 H 0.03 0.57 -0.20 -0.55 8.28 8.13 2f9iA1 THR 44 HA 0.13 -0.02 0.46 -0.75 4.39 4.20 2f9iA1 THR 44 HB 0.05 0.12 0.17 -0.04 4.32 4.62 2f9iA1 THR 44 HG23 0.12 -0.02 -0.11 -0.04 1.22 1.16 2f9iA1 LYS 45 H 0.06 0.52 -0.09 -0.55 8.42 8.35 2f9iA1 LYS 45 HA 0.10 -0.02 0.38 -0.75 4.32 4.03 2f9iA1 LYS 45 HB2 0.03 0.02 0.12 -0.04 1.87 2.00 2f9iA1 LYS 45 HB3 0.03 0.13 0.14 -0.04 1.79 2.05 2f9iA1 LYS 45 HG2 0.03 0.02 -0.17 -0.04 1.46 1.30 2f9iA1 LYS 45 HG3 0.04 -0.05 0.02 -0.04 1.46 1.42 2f9iA1 LYS 45 HD2 0.01 0.01 -0.01 -0.04 1.69 1.66 2f9iA1 LYS 45 HD3 0.01 -0.02 -0.02 -0.04 1.68 1.62 2f9iA1 LYS 45 HE2 0.01 -0.04 0.00 -0.04 2.99 2.92 2f9iA1 LYS 45 HE3 0.01 0.06 0.01 -0.04 2.99 3.03 2f9iA1 LYS 46 H 0.04 0.55 -0.19 -0.55 8.42 8.27 2f9iA1 LYS 46 HA 0.03 0.03 0.44 -0.75 4.32 4.06 2f9iA1 LYS 46 HB2 0.02 0.07 0.10 -0.04 1.87 2.01 2f9iA1 LYS 46 HB3 0.02 0.03 0.16 -0.04 1.79 1.96 2f9iA1 LYS 46 HG2 0.01 -0.03 -0.03 -0.04 1.46 1.37 2f9iA1 LYS 46 HG3 0.01 -0.01 -0.22 -0.04 1.46 1.20 2f9iA1 LYS 46 HD2 0.01 -0.00 0.05 -0.04 1.69 1.70 2f9iA1 LYS 46 HD3 0.01 0.00 -0.00 -0.04 1.68 1.65 2f9iA1 LYS 46 HE2 0.00 -0.02 -0.03 -0.04 2.99 2.91 2f9iA1 LYS 46 HE3 0.00 -0.00 -0.03 -0.04 2.99 2.92 2f9iA1 ILE 47 H 0.03 0.67 -0.03 -0.55 8.25 8.37 2f9iA1 ILE 47 HA -0.03 0.02 0.39 -0.75 4.18 3.80 2f9iA1 ILE 47 HB -0.04 0.11 0.21 -0.04 1.89 2.12 2f9iA1 ILE 47 HG12 0.02 -0.06 0.09 -0.04 1.49 1.50 2f9iA1 ILE 47 HG13 0.02 0.18 0.15 -0.04 1.21 1.52 2f9iA1 ILE 47 HG23 -0.15 -0.03 -0.10 -0.04 0.93 0.61 2f9iA1 ILE 47 HD13 0.04 0.02 0.05 -0.04 0.88 0.95 2f9iA1 TYR 48 H 0.13 0.59 -0.20 -0.55 8.29 8.25 2f9iA1 TYR 48 HA 0.06 0.04 0.51 -0.75 4.56 4.42 2f9iA1 TYR 48 HB2 0.05 0.20 0.08 -0.04 3.06 3.34 2f9iA1 TYR 48 HB3 0.04 -0.16 0.16 -0.04 2.98 2.98 2f9iA1 TYR 48 HD2 0.09 0.10 0.03 -0.04 7.15 7.33 2f9iA1 TYR 48 HE2 0.21 0.01 -0.02 -0.04 6.85 7.01 2f9iA1 THR 49 H 0.06 0.40 -0.45 -0.55 8.28 7.74 2f9iA1 THR 49 HA 0.06 0.10 0.90 -0.75 4.39 4.70 2f9iA1 THR 49 HB 0.03 0.09 0.11 -0.04 4.32 4.51 2f9iA1 THR 49 HG23 0.02 -0.03 0.10 -0.04 1.22 1.26 2f9iA1 ASN 50 H -0.01 0.27 -0.26 -0.55 8.53 7.98 2f9iA1 ASN 50 HA -0.01 0.16 0.80 -0.75 4.76 4.95 2f9iA1 ASN 50 HB2 -0.02 0.20 0.10 -0.04 2.88 3.13 2f9iA1 ASN 50 HB3 -0.02 -0.10 0.21 -0.04 2.79 2.84 2f9iA1 ASN 50 HD21 -0.01 -0.02 -0.03 -0.04 7.03 6.94 2f9iA1 ASN 50 HD22 -0.01 -0.05 0.01 -0.04 7.74 7.65 2f9iA1 LEU 51 H -0.02 0.11 -0.18 -0.55 8.37 7.73 2f9iA1 LEU 51 HA -0.20 0.04 0.43 -0.75 4.35 3.87 2f9iA1 LEU 51 HB2 -0.03 0.01 0.02 -0.04 1.64 1.60 2f9iA1 LEU 51 HB3 -0.17 -0.07 -0.02 -0.04 1.64 1.34 2f9iA1 LEU 51 HG -0.03 0.04 0.02 -0.04 1.64 1.62 2f9iA1 LEU 51 HD13 0.15 -0.01 -0.04 -0.04 0.93 0.99 2f9iA1 LEU 51 HD23 -0.42 -0.01 -0.05 -0.04 0.89 0.36 2f9iA1 LYS 52 H -0.19 0.05 0.24 -0.55 8.42 7.97 2f9iA1 LYS 52 HA -0.02 0.31 0.84 -0.75 4.32 4.70 2f9iA1 LYS 52 HB2 -0.04 -0.13 0.15 -0.04 1.87 1.81 2f9iA1 LYS 52 HB3 0.03 -0.08 0.07 -0.04 1.79 1.77 2f9iA1 LYS 52 HG2 0.00 -0.02 0.07 -0.04 1.46 1.47 2f9iA1 LYS 52 HG3 -0.00 0.08 0.09 -0.04 1.46 1.58 2f9iA1 LYS 52 HD2 -0.06 0.04 -0.21 -0.04 1.69 1.43 2f9iA1 LYS 52 HD3 -0.08 -0.09 0.14 -0.04 1.68 1.61 2f9iA1 LYS 52 HE2 -0.01 -0.03 0.02 -0.04 2.99 2.93 2f9iA1 LYS 52 HE3 -0.02 0.18 0.04 -0.04 2.99 3.15 2f9iA1 PRO 53 HA 0.05 0.10 0.36 -0.51 4.44 4.44 2f9iA1 PRO 53 HB2 0.13 -0.03 0.11 -0.04 2.28 2.44 2f9iA1 PRO 53 HB3 0.10 0.04 0.04 -0.04 2.02 2.16 2f9iA1 PRO 53 HG2 0.05 0.12 0.13 -0.04 2.03 2.29 2f9iA1 PRO 53 HG3 0.05 0.07 0.12 -0.04 2.03 2.24 2f9iA1 PRO 53 HD2 0.04 0.08 0.22 -0.04 3.68 3.99 2f9iA1 PRO 53 HD3 0.02 0.27 0.27 -0.04 3.65 4.17 2f9iA1 TRP 54 H 0.26 0.16 -0.12 -0.55 7.97 7.73 2f9iA1 TRP 54 HA 0.00 0.09 0.48 -0.75 4.62 4.43 2f9iA1 TRP 54 HB2 -0.02 0.04 0.11 -0.04 3.23 3.33 2f9iA1 TRP 54 HB3 -0.02 0.02 0.02 -0.04 3.23 3.21 2f9iA1 TRP 54 HD1 0.03 0.01 -0.09 -0.04 7.22 7.13 2f9iA1 TRP 54 HE1 0.03 0.04 -0.02 -0.04 10.20 10.21 2f9iA1 TRP 54 HE3 0.01 0.02 -0.02 -0.04 7.59 7.56 2f9iA1 TRP 54 HZ2 0.02 0.06 -0.04 -0.04 7.44 7.44 2f9iA1 TRP 54 HZ3 0.02 0.01 -0.10 -0.04 7.13 7.03 2f9iA1 TRP 54 HH2 0.02 -0.00 -0.08 -0.04 7.19 7.09 2f9iA1 ASP 55 H -0.04 0.20 -0.27 -0.55 8.40 7.75 2f9iA1 ASP 55 HA -0.24 0.00 0.49 -0.75 4.63 4.13 2f9iA1 ASP 55 HB2 -0.47 0.14 0.17 -0.04 2.71 2.51 2f9iA1 ASP 55 HB3 -1.63 0.03 0.05 -0.04 2.70 1.10 2f9iA1 ARG 56 H -0.12 0.50 -0.09 -0.55 8.46 8.20 2f9iA1 ARG 56 HA -0.04 0.00 0.46 -0.75 4.34 4.01 2f9iA1 ARG 56 HB2 -0.02 0.10 0.10 -0.04 1.90 2.04 2f9iA1 ARG 56 HB3 -0.01 0.08 0.08 -0.04 1.80 1.92 2f9iA1 ARG 56 HG2 -0.02 -0.04 -0.04 -0.04 1.67 1.53 2f9iA1 ARG 56 HG3 -0.05 0.08 -0.18 -0.04 1.67 1.47 2f9iA1 ARG 56 HD2 0.03 -0.10 -0.05 -0.04 3.22 3.06 2f9iA1 ARG 56 HD3 0.03 0.21 0.09 -0.04 3.22 3.51 2f9iA1 VAL 57 H -0.16 0.37 -0.19 -0.55 8.24 7.71 2f9iA1 VAL 57 HA -0.13 0.08 0.35 -0.75 4.13 3.67 2f9iA1 VAL 57 HB -0.74 0.09 0.14 -0.04 2.12 1.57 2f9iA1 VAL 57 HG13 -0.55 -0.02 -0.13 -0.04 0.97 0.23 2f9iA1 VAL 57 HG23 0.04 0.05 -0.02 -0.04 0.95 0.98 2f9iA1 GLN 58 H -0.38 0.41 -0.27 -0.55 8.47 7.69 2f9iA1 GLN 58 HA -0.24 0.03 0.43 -0.75 4.36 3.82 2f9iA1 GLN 58 HB2 0.00 0.16 0.20 -0.04 2.15 2.46 2f9iA1 GLN 58 HB3 -0.00 -0.04 -0.01 -0.04 2.02 1.92 2f9iA1 GLN 58 HG2 -0.26 -0.01 0.02 -0.04 2.40 2.11 2f9iA1 GLN 58 HG3 -0.78 0.13 0.08 -0.04 2.39 1.77 2f9iA1 GLN 58 HE21 0.11 -0.20 0.07 -0.04 6.97 6.90 2f9iA1 GLN 58 HE22 0.02 0.09 0.01 -0.04 7.69 7.77 2f9iA1 ILE 59 H -0.01 0.43 -0.12 -0.55 8.25 8.00 2f9iA1 ILE 59 HA 0.07 0.00 0.44 -0.75 4.18 3.93 2f9iA1 ILE 59 HB 0.07 0.15 0.17 -0.04 1.89 2.23 2f9iA1 ILE 59 HG12 0.37 -0.00 0.03 -0.04 1.49 1.85 2f9iA1 ILE 59 HG13 0.24 0.14 0.08 -0.04 1.21 1.62 2f9iA1 ILE 59 HG23 0.16 -0.02 -0.03 -0.04 0.93 1.00 2f9iA1 ILE 59 HD13 0.25 -0.04 -0.10 -0.04 0.88 0.95 2f9iA1 ALA 60 H -0.04 0.55 -0.20 -0.55 8.40 8.17 2f9iA1 ALA 60 HA 0.02 0.01 0.35 -0.75 4.34 3.97 2f9iA1 ALA 60 HB3 -0.01 0.09 0.02 -0.04 1.41 1.47 2f9iA1 ARG 61 H -0.06 0.30 -0.48 -0.55 8.46 7.68 2f9iA1 ARG 61 HA -0.00 0.12 0.62 -0.75 4.34 4.32 2f9iA1 ARG 61 HB2 -0.08 0.05 0.10 -0.04 1.90 1.93 2f9iA1 ARG 61 HB3 -0.03 -0.10 0.17 -0.04 1.80 1.80 2f9iA1 ARG 61 HG2 -0.02 -0.05 -0.04 -0.04 1.67 1.52 2f9iA1 ARG 61 HG3 -0.08 0.17 -0.01 -0.04 1.67 1.71 2f9iA1 ARG 61 HD2 -0.20 -0.02 -0.09 -0.04 3.22 2.87 2f9iA1 ARG 61 HD3 -0.05 -0.01 -0.01 -0.04 3.22 3.11 2f9iA1 LEU 62 H -0.04 0.39 -0.42 -0.55 8.37 7.75 2f9iA1 LEU 62 HA -0.05 0.01 0.56 -0.75 4.35 4.12 2f9iA1 LEU 62 HB2 -0.16 0.10 0.10 -0.04 1.64 1.65 2f9iA1 LEU 62 HB3 -0.19 -0.18 -0.03 -0.04 1.64 1.19 2f9iA1 LEU 62 HG -0.06 0.17 0.16 -0.04 1.64 1.87 2f9iA1 LEU 62 HD13 -0.31 -0.03 0.02 -0.04 0.93 0.57 2f9iA1 LEU 62 HD23 -0.06 -0.03 -0.03 -0.04 0.89 0.73 2f9iA1 GLN 63 H -0.02 0.54 0.17 -0.55 8.47 8.62 2f9iA1 GLN 63 HA 0.01 0.11 0.35 -0.75 4.36 4.08 2f9iA1 GLN 63 HB2 0.02 0.04 -0.06 -0.04 2.15 2.10 2f9iA1 GLN 63 HB3 -0.01 -0.06 0.13 -0.04 2.02 2.04 2f9iA1 GLN 63 HG2 -0.00 -0.17 -0.03 -0.04 2.40 2.16 2f9iA1 GLN 63 HG3 -0.01 0.14 -0.31 -0.04 2.39 2.17 2f9iA1 GLN 63 HE21 -0.03 0.02 -0.35 -0.04 6.97 6.57 2f9iA1 GLN 63 HE22 -0.02 0.18 -0.32 -0.04 7.69 7.49 2f9iA1 GLU 64 H -0.08 0.02 -0.26 -0.55 8.60 7.74 2f9iA1 GLU 64 HA -0.03 0.20 0.43 -0.75 4.29 4.13 2f9iA1 GLU 64 HB2 0.00 0.00 0.10 -0.04 2.09 2.16 2f9iA1 GLU 64 HB3 -0.02 -0.06 0.04 -0.04 1.99 1.90 2f9iA1 GLU 64 HG2 -0.20 -0.05 -0.08 -0.04 2.34 1.97 2f9iA1 GLU 64 HG3 -0.26 -0.01 -0.24 -0.04 2.34 1.79 2f9iA1 ARG 65 H -0.06 0.47 -0.60 -0.55 8.46 7.72 2f9iA1 ARG 65 HA 0.02 -0.12 0.46 -0.75 4.34 3.95 2f9iA1 ARG 65 HB2 -0.02 0.02 0.10 -0.04 1.90 1.96 2f9iA1 ARG 65 HB3 0.01 0.03 0.04 -0.04 1.80 1.84 2f9iA1 ARG 65 HG2 0.07 0.14 -0.00 -0.04 1.67 1.85 2f9iA1 ARG 65 HG3 0.09 -0.21 0.11 -0.04 1.67 1.62 2f9iA1 ARG 65 HD2 0.04 0.07 0.09 -0.04 3.22 3.38 2f9iA1 ARG 65 HD3 0.04 0.20 0.18 -0.04 3.22 3.60 2f9iA1 PRO 66 HA -0.14 0.01 0.44 -0.51 4.44 4.23 2f9iA1 PRO 66 HB2 -0.55 0.01 -0.06 -0.04 2.28 1.64 2f9iA1 PRO 66 HB3 -0.53 -0.04 0.04 -0.04 2.02 1.45 2f9iA1 PRO 66 HG2 0.04 0.04 -0.22 -0.04 2.03 1.85 2f9iA1 PRO 66 HG3 -0.04 0.08 0.01 -0.04 2.03 2.04 2f9iA1 PRO 66 HD2 0.11 0.05 0.10 -0.04 3.68 3.91 2f9iA1 PRO 66 HD3 0.11 0.05 0.16 -0.04 3.65 3.93 2f9iA1 THR 67 H -0.21 0.01 0.15 -0.55 8.28 7.67 2f9iA1 THR 67 HA -0.02 0.33 0.69 -0.75 4.39 4.64 2f9iA1 THR 67 HB -0.04 -0.15 0.17 -0.04 4.32 4.25 2f9iA1 THR 67 HG23 -0.04 0.05 -0.15 -0.04 1.22 1.04 2f9iA1 THR 68 H -0.03 0.25 0.18 -0.55 8.28 8.14 2f9iA1 THR 68 HA -0.26 0.11 0.34 -0.75 4.39 3.83 2f9iA1 THR 68 HB -0.10 -0.07 0.01 -0.04 4.32 4.12 2f9iA1 THR 68 HG23 -0.50 0.01 -0.23 -0.04 1.22 0.45 2f9iA1 LEU 69 H -0.11 0.05 -0.13 -0.55 8.37 7.64 2f9iA1 LEU 69 HA -0.17 0.14 0.42 -0.75 4.35 3.99 2f9iA1 LEU 69 HB2 -0.06 -0.08 -0.01 -0.04 1.64 1.46 2f9iA1 LEU 69 HB3 -0.04 0.06 -0.00 -0.04 1.64 1.62 2f9iA1 LEU 69 HG -0.05 -0.05 -0.05 -0.04 1.64 1.45 2f9iA1 LEU 69 HD13 0.02 0.01 -0.03 -0.04 0.93 0.89 2f9iA1 LEU 69 HD23 -0.03 0.03 -0.09 -0.04 0.89 0.75 2f9iA1 ASP 70 H -0.16 0.01 -0.46 -0.55 8.40 7.24 2f9iA1 ASP 70 HA -0.06 0.08 0.56 -0.75 4.63 4.46 2f9iA1 ASP 70 HB2 -0.41 0.17 0.14 -0.04 2.71 2.58 2f9iA1 ASP 70 HB3 -0.22 0.02 -0.00 -0.04 2.70 2.46 2f9iA1 TYR 71 H -0.18 0.35 -0.12 -0.55 8.29 7.79 2f9iA1 TYR 71 HA 0.14 0.05 0.42 -0.75 4.56 4.42 2f9iA1 TYR 71 HB2 -0.16 0.08 0.02 -0.04 3.06 2.96 2f9iA1 TYR 71 HB3 0.07 -0.02 -0.08 -0.04 2.98 2.91 2f9iA1 TYR 71 HD2 0.02 -0.01 -0.12 -0.04 7.15 7.01 2f9iA1 TYR 71 HE2 0.02 0.03 -0.10 -0.04 6.85 6.76 2f9iA1 ILE 72 H -0.10 0.39 -0.15 -0.55 8.25 7.84 2f9iA1 ILE 72 HA 0.17 0.00 0.22 -0.75 4.18 3.81 2f9iA1 ILE 72 HB -0.29 0.05 0.02 -0.04 1.89 1.63 2f9iA1 ILE 72 HG12 -0.21 -0.02 -0.11 -0.04 1.49 1.10 2f9iA1 ILE 72 HG13 -0.44 0.27 -0.01 -0.04 1.21 0.99 2f9iA1 ILE 72 HG23 -0.61 -0.00 -0.27 -0.04 0.93 0.01 2f9iA1 ILE 72 HD13 -0.76 -0.03 -0.25 -0.04 0.88 -0.20 2f9iA1 PRO 73 HA -0.00 0.11 0.43 -0.51 4.44 4.47 2f9iA1 PRO 73 HB2 -0.38 0.03 -0.06 -0.04 2.28 1.83 2f9iA1 PRO 73 HB3 -0.14 -0.02 0.06 -0.04 2.02 1.88 2f9iA1 PRO 73 HG2 -0.11 0.04 0.03 -0.04 2.03 1.95 2f9iA1 PRO 73 HG3 -0.05 -0.02 0.03 -0.04 2.03 1.94 2f9iA1 PRO 73 HD2 -0.03 0.28 -0.43 -0.04 3.68 3.46 2f9iA1 PRO 73 HD3 -0.09 0.09 -0.05 -0.04 3.65 3.55 2f9iA1 TYR 74 H 0.11 0.33 -0.37 -0.55 8.29 7.81 2f9iA1 TYR 74 HA -0.00 0.06 0.56 -0.75 4.56 4.42 2f9iA1 TYR 74 HB2 0.02 0.14 0.07 -0.04 3.06 3.25 2f9iA1 TYR 74 HB3 -0.01 -0.05 0.02 -0.04 2.98 2.89 2f9iA1 TYR 74 HD2 0.01 0.10 0.05 -0.04 7.15 7.27 2f9iA1 TYR 74 HE2 -0.02 0.00 -0.02 -0.04 6.85 6.78 2f9iA1 ILE 75 H 0.04 0.31 -0.19 -0.55 8.25 7.85 2f9iA1 ILE 75 HA -0.16 0.12 0.71 -0.75 4.18 4.10 2f9iA1 ILE 75 HB -0.43 0.01 0.01 -0.04 1.89 1.44 2f9iA1 ILE 75 HG12 -0.18 0.05 -0.10 -0.04 1.49 1.23 2f9iA1 ILE 75 HG13 0.02 0.08 -0.10 -0.04 1.21 1.18 2f9iA1 ILE 75 HG23 -0.84 -0.02 -0.16 -0.04 0.93 -0.13 2f9iA1 ILE 75 HD13 0.01 -0.04 -0.16 -0.04 0.88 0.64 2f9iA1 PHE 76 H 0.08 0.67 0.18 -0.55 8.34 8.72 2f9iA1 PHE 76 HA 0.09 0.24 1.00 -0.75 4.62 5.19 2f9iA1 PHE 76 HB2 0.05 -0.06 -0.08 -0.04 3.15 3.02 2f9iA1 PHE 76 HB3 0.13 0.00 -0.10 -0.04 3.06 3.05 2f9iA1 PHE 76 HD2 0.00 0.02 -0.21 -0.04 7.28 7.06 2f9iA1 PHE 76 HE2 -0.05 -0.00 -0.19 -0.04 7.38 7.10 2f9iA1 PHE 76 HZ -0.29 0.01 -0.17 -0.04 7.32 6.83 2f9iA1 ASP 77 H 0.30 0.56 0.31 -0.55 8.40 9.02 2f9iA1 ASP 77 HA 0.15 0.17 0.80 -0.75 4.63 4.99 2f9iA1 ASP 77 HB2 0.22 -0.07 0.04 -0.04 2.71 2.86 2f9iA1 ASP 77 HB3 0.12 -0.01 0.05 -0.04 2.70 2.81 2f9iA1 SER 78 H 0.14 0.16 0.16 -0.55 8.46 8.37 2f9iA1 SER 78 HA 0.11 0.03 0.30 -0.75 4.49 4.18 2f9iA1 SER 78 HB2 0.37 0.10 -0.13 -0.04 3.95 4.25 2f9iA1 SER 78 HB3 0.16 0.03 0.15 -0.04 3.93 4.22 2f9iA1 PHE 79 H 0.26 0.05 -0.31 -0.55 8.34 7.78 2f9iA1 PHE 79 HA -0.01 0.27 0.51 -0.75 4.62 4.64 2f9iA1 PHE 79 HB2 0.07 0.03 -0.20 -0.04 3.15 3.01 2f9iA1 PHE 79 HB3 0.03 -0.06 -0.06 -0.04 3.06 2.92 2f9iA1 PHE 79 HD2 -0.07 -0.01 -0.34 -0.04 7.28 6.82 2f9iA1 PHE 79 HE2 -0.09 -0.01 -0.27 -0.04 7.38 6.96 2f9iA1 PHE 79 HZ -0.08 -0.02 -0.48 -0.04 7.32 6.70 2f9iA1 MET 80 H -0.62 0.79 0.39 -0.55 8.47 8.48 2f9iA1 MET 80 HA -0.28 0.07 0.90 -0.75 4.52 4.46 2f9iA1 MET 80 HB2 -0.16 0.04 0.00 -0.04 2.15 1.99 2f9iA1 MET 80 HB3 -0.27 -0.02 0.22 -0.04 2.03 1.92 2f9iA1 MET 80 HG2 -0.19 0.10 -0.23 -0.04 2.63 2.27 2f9iA1 MET 80 HG3 -0.12 -0.04 0.04 -0.04 2.56 2.40 2f9iA1 MET 80 HE3 -0.06 -0.00 -0.01 -0.04 2.10 1.99 2f9iA1 GLU 81 H -0.27 0.10 0.09 -0.55 8.60 7.98 2f9iA1 GLU 81 HA -0.43 0.18 0.61 -0.75 4.29 3.90 2f9iA1 GLU 81 HB2 0.08 -0.04 0.07 -0.04 2.09 2.16 2f9iA1 GLU 81 HB3 -0.04 -0.05 0.11 -0.04 1.99 1.97 2f9iA1 GLU 81 HG2 -0.57 0.01 -0.15 -0.04 2.34 1.60 2f9iA1 GLU 81 HG3 -0.10 0.14 0.17 -0.04 2.34 2.51 2f9iA1 LEU 82 H -0.25 0.71 0.49 -0.55 8.37 8.78 2f9iA1 LEU 82 HA -0.11 0.10 0.83 -0.75 4.35 4.41 2f9iA1 LEU 82 HB2 -0.12 -0.00 -0.00 -0.04 1.64 1.48 2f9iA1 LEU 82 HB3 -0.07 0.01 0.03 -0.04 1.64 1.57 2f9iA1 LEU 82 HG -0.21 0.07 -0.15 -0.04 1.64 1.31 2f9iA1 LEU 82 HD13 -0.10 -0.00 -0.05 -0.04 0.93 0.74 2f9iA1 LEU 82 HD23 -0.09 0.04 -0.02 -0.04 0.89 0.77 2f9iA1 HIS 83 H 0.06 0.16 0.16 -0.55 8.41 8.24 2f9iA1 HIS 83 HA -0.00 0.18 0.89 -0.75 4.63 4.94 2f9iA1 HIS 83 HB2 -0.01 0.01 0.07 -0.04 3.26 3.28 2f9iA1 HIS 83 HB3 -0.01 -0.08 0.02 -0.04 3.20 3.10 2f9iA1 HIS 83 HD2 -0.02 0.04 -0.09 -0.04 6.97 6.85 2f9iA1 HIS 83 HE1 0.03 -0.01 -0.07 -0.04 7.75 7.66 2f9iA1 GLY 84 H 0.07 0.11 0.16 -0.55 8.43 8.23 2f9iA1 GLY 84 HA2 0.05 -0.08 0.34 -0.51 4.01 3.81 2f9iA1 GLY 84 HA3 0.05 0.12 0.26 -0.51 4.01 3.93 2f9iA1 ASP 85 H 0.05 0.00 0.14 -0.55 8.40 8.04 2f9iA1 ASP 85 HA 0.04 0.34 0.76 -0.75 4.63 5.01 2f9iA1 ASP 85 HB2 0.06 0.08 0.06 -0.04 2.71 2.88 2f9iA1 ASP 85 HB3 0.06 0.18 0.13 -0.04 2.70 3.03 2f9iA1 ARG 86 H 0.03 0.03 -0.09 -0.55 8.46 7.89 2f9iA1 ARG 86 HA 0.02 0.01 0.24 -0.75 4.34 3.86 2f9iA1 ARG 86 HB2 0.03 0.21 0.09 -0.04 1.90 2.18 2f9iA1 ARG 86 HB3 0.02 0.00 0.18 -0.04 1.80 1.97 2f9iA1 ARG 86 HG2 0.02 -0.02 -0.30 -0.04 1.67 1.34 2f9iA1 ARG 86 HG3 0.02 0.06 -0.10 -0.04 1.67 1.61 2f9iA1 ARG 86 HD2 0.02 0.01 -0.01 -0.04 3.22 3.20 2f9iA1 ARG 86 HD3 0.02 -0.08 -0.01 -0.04 3.22 3.11 2f9iA1 ASN 87 H 0.06 -0.32 -0.32 -0.55 8.53 7.40 2f9iA1 ASN 87 HA 0.07 0.26 0.86 -0.75 4.76 5.20 2f9iA1 ASN 87 HB2 0.06 0.25 -0.27 -0.04 2.88 2.89 2f9iA1 ASN 87 HB3 0.10 -0.18 -0.04 -0.04 2.79 2.64 2f9iA1 ASN 87 HD21 0.05 -0.02 -0.00 -0.04 7.03 7.02 2f9iA1 ASN 87 HD22 0.05 0.10 -0.01 -0.04 7.74 7.84 2f9iA1 PHE 88 H 0.12 -0.22 0.08 -0.55 8.34 7.77 2f9iA1 PHE 88 HA 0.01 0.26 0.87 -0.75 4.62 5.01 2f9iA1 PHE 88 HB2 0.02 0.13 -0.27 -0.04 3.15 2.98 2f9iA1 PHE 88 HB3 0.02 -0.11 0.01 -0.04 3.06 2.94 2f9iA1 PHE 88 HD2 0.01 0.01 -0.09 -0.04 7.28 7.17 2f9iA1 PHE 88 HE2 -0.00 -0.01 -0.03 -0.04 7.38 7.30 2f9iA1 PHE 88 HZ 0.01 -0.01 -0.01 -0.04 7.32 7.27 2f9iA1 ARG 89 H 0.14 0.09 0.22 -0.55 8.46 8.35 2f9iA1 ARG 89 HA -0.07 0.16 0.66 -0.75 4.34 4.34 2f9iA1 ARG 89 HB2 -0.04 0.17 -0.37 -0.04 1.90 1.62 2f9iA1 ARG 89 HB3 0.21 -0.12 -0.16 -0.04 1.80 1.69 2f9iA1 ARG 89 HG2 -0.01 0.13 -0.27 -0.04 1.67 1.48 2f9iA1 ARG 89 HG3 -0.07 0.03 0.09 -0.04 1.67 1.68 2f9iA1 ARG 89 HD2 -0.05 0.06 -0.01 -0.04 3.22 3.19 2f9iA1 ARG 89 HD3 0.03 0.02 -0.04 -0.04 3.22 3.19 2f9iA1 ASP 90 H -0.01 0.26 0.12 -0.55 8.40 8.22 2f9iA1 ASP 90 HA 0.04 0.04 0.95 -0.75 4.63 4.90 2f9iA1 ASP 90 HB2 0.05 -0.02 0.10 -0.04 2.71 2.79 2f9iA1 ASP 90 HB3 0.02 0.05 0.16 -0.04 2.70 2.89 2f9iA1 ASP 91 H 0.02 0.18 0.02 -0.55 8.40 8.07 2f9iA1 ASP 91 HA -0.06 0.14 0.52 -0.75 4.63 4.48 2f9iA1 ASP 91 HB2 0.01 -0.06 -0.09 -0.04 2.71 2.53 2f9iA1 ASP 91 HB3 -0.03 0.12 0.17 -0.04 2.70 2.92 2f9iA1 PRO 92 HA -0.10 0.08 0.40 -0.51 4.44 4.31 2f9iA1 PRO 92 HB2 -0.48 0.14 0.09 -0.04 2.28 1.99 2f9iA1 PRO 92 HB3 -0.94 -0.03 0.06 -0.04 2.02 1.07 2f9iA1 PRO 92 HG2 -0.40 0.12 0.16 -0.04 2.03 1.86 2f9iA1 PRO 92 HG3 -0.28 0.02 0.12 -0.04 2.03 1.84 2f9iA1 PRO 92 HD2 -0.18 0.02 0.23 -0.04 3.68 3.71 2f9iA1 PRO 92 HD3 -0.13 0.26 0.39 -0.04 3.65 4.13 2f9iA1 ALA 93 H -0.10 -0.03 -0.30 -0.55 8.40 7.43 2f9iA1 ALA 93 HA -0.06 0.27 0.46 -0.75 4.34 4.26 2f9iA1 ALA 93 HB3 -0.02 -0.02 -0.21 -0.04 1.41 1.12 2f9iA1 MET 94 H -0.05 0.28 -0.35 -0.55 8.47 7.80 2f9iA1 MET 94 HA -0.04 0.23 1.00 -0.75 4.52 4.96 2f9iA1 MET 94 HB2 -0.16 -0.14 -0.11 -0.04 2.15 1.70 2f9iA1 MET 94 HB3 -0.08 -0.09 0.17 -0.04 2.03 1.98 2f9iA1 MET 94 HG2 -0.10 0.13 -0.04 -0.04 2.63 2.58 2f9iA1 MET 94 HG3 -0.04 0.14 -0.20 -0.04 2.56 2.42 2f9iA1 MET 94 HE3 -0.37 -0.02 -0.18 -0.04 2.10 1.48 2f9iA1 ILE 95 H 0.00 0.57 0.29 -0.55 8.25 8.56 2f9iA1 ILE 95 HA -0.02 0.21 1.02 -0.75 4.18 4.65 2f9iA1 ILE 95 HB 0.03 0.00 0.11 -0.04 1.89 2.00 2f9iA1 ILE 95 HG12 -0.01 -0.13 -0.10 -0.04 1.49 1.21 2f9iA1 ILE 95 HG13 0.00 0.17 -0.01 -0.04 1.21 1.33 2f9iA1 ILE 95 HG23 0.02 -0.01 -0.13 -0.04 0.93 0.77 2f9iA1 ILE 95 HD13 -0.01 -0.01 -0.38 -0.04 0.88 0.45 2f9iA1 GLY 96 H -0.01 0.32 0.33 -0.55 8.43 8.53 2f9iA1 GLY 96 HA2 0.12 0.24 0.59 -0.51 4.01 4.45 2f9iA1 GLY 96 HA3 0.03 0.03 0.54 -0.51 4.01 4.11 2f9iA1 GLY 97 H 0.09 0.59 0.42 -0.55 8.43 8.99 2f9iA1 GLY 97 HA2 -0.20 0.00 0.50 -0.51 4.01 3.81 2f9iA1 GLY 97 HA3 -0.53 0.11 0.55 -0.51 4.01 3.63 2f9iA1 ILE 98 H -0.45 0.48 0.37 -0.55 8.25 8.10 2f9iA1 ILE 98 HA -0.10 0.31 1.11 -0.75 4.18 4.75 2f9iA1 ILE 98 HB -0.19 0.06 0.11 -0.04 1.89 1.83 2f9iA1 ILE 98 HG12 -0.22 -0.01 0.14 -0.04 1.49 1.35 2f9iA1 ILE 98 HG13 -0.23 -0.01 0.08 -0.04 1.21 1.01 2f9iA1 ILE 98 HG23 -0.11 -0.01 -0.11 -0.04 0.93 0.67 2f9iA1 ILE 98 HD13 -0.16 -0.01 -0.01 -0.04 0.88 0.66 2f9iA1 GLY 99 H -0.16 0.60 0.35 -0.55 8.43 8.68 2f9iA1 GLY 99 HA2 -0.11 0.20 0.40 -0.51 4.01 3.99 2f9iA1 GLY 99 HA3 0.11 -0.04 0.17 -0.51 4.01 3.73 2f9iA1 PHE 100 H 0.27 0.59 0.21 -0.55 8.34 8.86 2f9iA1 PHE 100 HA 0.13 0.37 0.83 -0.75 4.62 5.19 2f9iA1 PHE 100 HB2 0.10 -0.04 0.00 -0.04 3.15 3.17 2f9iA1 PHE 100 HB3 0.09 -0.23 -0.19 -0.04 3.06 2.69 2f9iA1 PHE 100 HD2 0.06 -0.01 -0.55 -0.04 7.28 6.73 2f9iA1 PHE 100 HE2 0.02 0.02 -0.09 -0.04 7.38 7.28 2f9iA1 PHE 100 HZ 0.01 -0.01 -0.06 -0.04 7.32 7.21 2f9iA1 LEU 101 H 0.31 0.83 0.12 -0.55 8.37 9.08 2f9iA1 LEU 101 HA 0.19 0.18 0.84 -0.75 4.35 4.80 2f9iA1 LEU 101 HB2 0.36 -0.00 -0.07 -0.04 1.64 1.89 2f9iA1 LEU 101 HB3 0.24 0.09 0.12 -0.04 1.64 2.05 2f9iA1 LEU 101 HG 0.07 -0.01 -0.19 -0.04 1.64 1.47 2f9iA1 LEU 101 HD13 -0.20 0.00 -0.01 -0.04 0.93 0.67 2f9iA1 LEU 101 HD23 -0.03 -0.00 -0.15 -0.04 0.89 0.68 2f9iA1 ASN 102 H 0.10 0.21 0.01 -0.55 8.53 8.30 2f9iA1 ASN 102 HA 0.05 0.00 0.29 -0.75 4.76 4.35 2f9iA1 ASN 102 HB2 0.07 0.15 0.02 -0.04 2.88 3.07 2f9iA1 ASN 102 HB3 0.04 -0.00 0.18 -0.04 2.79 2.97 2f9iA1 ASN 102 HD21 0.01 0.01 -0.03 -0.04 7.03 6.97 2f9iA1 ASN 102 HD22 0.04 0.04 -0.05 -0.04 7.74 7.72 2f9iA1 GLY 103 H 0.10 0.02 -0.23 -0.55 8.43 7.77 2f9iA1 GLY 103 HA2 -0.19 -0.04 0.24 -0.51 4.01 3.51 2f9iA1 GLY 103 HA3 -0.01 0.13 0.43 -0.51 4.01 4.04 2f9iA1 ARG 104 H 0.24 0.37 -0.59 -0.55 8.46 7.93 2f9iA1 ARG 104 HA 0.23 0.16 0.98 -0.75 4.34 4.96 2f9iA1 ARG 104 HB2 0.14 0.02 0.02 -0.04 1.90 2.04 2f9iA1 ARG 104 HB3 0.19 0.02 0.12 -0.04 1.80 2.08 2f9iA1 ARG 104 HG2 0.14 0.22 -0.14 -0.04 1.67 1.85 2f9iA1 ARG 104 HG3 0.13 -0.04 0.09 -0.04 1.67 1.80 2f9iA1 ARG 104 HD2 0.12 -0.04 0.01 -0.04 3.22 3.27 2f9iA1 ARG 104 HD3 0.16 -0.03 -0.02 -0.04 3.22 3.28 2f9iA1 ALA 105 H 0.20 0.13 0.16 -0.55 8.40 8.35 2f9iA1 ALA 105 HA -0.32 0.20 0.60 -0.75 4.34 4.06 2f9iA1 ALA 105 HB3 -0.12 -0.00 0.11 -0.04 1.41 1.35 2f9iA1 VAL 106 H -0.10 0.52 0.39 -0.55 8.24 8.50 2f9iA1 VAL 106 HA 0.06 0.24 0.80 -0.75 4.13 4.47 2f9iA1 VAL 106 HB 0.29 0.10 -0.05 -0.04 2.12 2.41 2f9iA1 VAL 106 HG13 0.32 0.04 -0.27 -0.04 0.97 1.01 2f9iA1 VAL 106 HG23 0.07 -0.05 -0.40 -0.04 0.95 0.53 2f9iA1 THR 107 H 0.02 0.75 0.30 -0.55 8.28 8.80 2f9iA1 THR 107 HA -0.02 0.20 1.12 -0.75 4.39 4.93 2f9iA1 THR 107 HB -0.00 0.06 0.11 -0.04 4.32 4.45 2f9iA1 THR 107 HG23 0.01 0.00 -0.21 -0.04 1.22 0.98 2f9iA1 VAL 108 H 0.06 0.57 0.26 -0.55 8.24 8.57 2f9iA1 VAL 108 HA 0.06 0.35 1.10 -0.75 4.13 4.89 2f9iA1 VAL 108 HB -0.02 -0.10 -0.10 -0.04 2.12 1.86 2f9iA1 VAL 108 HG13 0.07 -0.01 -0.18 -0.04 0.97 0.81 2f9iA1 VAL 108 HG23 -0.83 0.00 -0.36 -0.04 0.95 -0.28 2f9iA1 ILE 109 H 0.15 0.73 0.46 -0.55 8.25 9.04 2f9iA1 ILE 109 HA 0.08 0.21 1.03 -0.75 4.18 4.75 2f9iA1 ILE 109 HB 0.07 0.02 0.05 -0.04 1.89 1.98 2f9iA1 ILE 109 HG12 0.03 -0.02 0.03 -0.04 1.49 1.49 2f9iA1 ILE 109 HG13 0.05 0.02 -0.60 -0.04 1.21 0.64 2f9iA1 ILE 109 HG23 0.04 0.01 0.01 -0.04 0.93 0.95 2f9iA1 ILE 109 HD13 0.03 0.01 -0.14 -0.04 0.88 0.73 2f9iA1 GLY 110 H 0.06 0.65 0.38 -0.55 8.43 8.98 2f9iA1 GLY 110 HA2 0.13 0.06 0.39 -0.51 4.01 4.09 2f9iA1 GLY 110 HA3 0.21 0.03 0.75 -0.51 4.01 4.48 2f9iA1 GLN 111 H 0.09 0.32 0.37 -0.55 8.47 8.70 2f9iA1 GLN 111 HA 0.01 0.28 0.97 -0.75 4.36 4.86 2f9iA1 GLN 111 HB2 0.07 -0.23 0.21 -0.04 2.15 2.16 2f9iA1 GLN 111 HB3 0.04 0.17 0.18 -0.04 2.02 2.37 2f9iA1 GLN 111 HG2 0.04 0.17 0.07 -0.04 2.40 2.64 2f9iA1 GLN 111 HG3 -0.02 -0.05 0.06 -0.04 2.39 2.34 2f9iA1 GLN 111 HE21 0.18 0.16 0.04 -0.04 6.97 7.31 2f9iA1 GLN 111 HE22 0.06 -0.09 -0.03 -0.04 7.69 7.59 2f9iA1 GLN 112 H 0.00 0.70 0.28 -0.55 8.47 8.90 2f9iA1 GLN 112 HA 0.00 -0.09 0.91 -0.75 4.36 4.43 2f9iA1 GLN 112 HB2 -0.01 0.01 -0.05 -0.04 2.15 2.06 2f9iA1 GLN 112 HB3 -0.01 0.22 0.14 -0.04 2.02 2.32 2f9iA1 GLN 112 HG2 0.01 0.06 -0.03 -0.04 2.40 2.41 2f9iA1 GLN 112 HG3 0.00 -0.02 -0.15 -0.04 2.39 2.18 2f9iA1 GLN 112 HE21 -0.04 -0.04 -0.04 -0.04 6.97 6.81 2f9iA1 GLN 112 HE22 -0.01 0.01 -0.05 -0.04 7.69 7.59 2f9iA1 ARG 113 H 0.01 0.08 0.08 -0.55 8.46 8.08 2f9iA1 ARG 113 HA 0.02 0.08 0.16 -0.75 4.34 3.84 2f9iA1 ARG 113 HB2 0.04 0.04 0.00 -0.04 1.90 1.95 2f9iA1 ARG 113 HB3 0.01 0.02 0.01 -0.04 1.80 1.80 2f9iA1 ARG 113 HG2 0.03 0.09 -0.11 -0.04 1.67 1.64 2f9iA1 ARG 113 HG3 0.09 0.04 -0.09 -0.04 1.67 1.67 2f9iA1 ARG 113 HD2 0.06 0.07 -0.07 -0.04 3.22 3.24 2f9iA1 ARG 113 HD3 0.08 -0.08 -0.06 -0.04 3.22 3.12 2f9iA1 GLY 114 H -0.02 -0.08 -0.22 -0.55 8.43 7.56 2f9iA1 GLY 114 HA2 -0.02 -0.11 0.29 -0.51 4.01 3.66 2f9iA1 GLY 114 HA3 -0.07 0.27 0.74 -0.51 4.01 4.43 2f9iA1 LYS 115 H -0.03 0.01 0.08 -0.55 8.42 7.93 2f9iA1 LYS 115 HA -0.03 0.30 0.46 -0.75 4.32 4.30 2f9iA1 LYS 115 HB2 -0.03 -0.08 0.07 -0.04 1.87 1.79 2f9iA1 LYS 115 HB3 -0.03 0.06 0.02 -0.04 1.79 1.81 2f9iA1 LYS 115 HG2 -0.04 0.05 -0.04 -0.04 1.46 1.39 2f9iA1 LYS 115 HG3 -0.03 -0.13 -0.02 -0.04 1.46 1.24 2f9iA1 LYS 115 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.60 2f9iA1 LYS 115 HD3 -0.03 0.05 -0.03 -0.04 1.68 1.64 2f9iA1 LYS 115 HE2 -0.05 -0.10 -0.11 -0.04 2.99 2.69 2f9iA1 LYS 115 HE3 -0.02 -0.01 -0.06 -0.04 2.99 2.86 2f9iA1 ASP 116 H -0.04 -0.09 0.01 -0.55 8.40 7.74 2f9iA1 ASP 116 HA -0.02 0.34 0.77 -0.75 4.63 4.96 2f9iA1 ASP 116 HB2 -0.02 -0.12 0.20 -0.04 2.71 2.73 2f9iA1 ASP 116 HB3 -0.02 0.16 -0.03 -0.04 2.70 2.77 2f9iA1 THR 117 H -0.02 0.20 0.15 -0.55 8.28 8.06 2f9iA1 THR 117 HA -0.03 0.20 0.39 -0.75 4.39 4.20 2f9iA1 THR 117 HB 0.00 -0.05 0.16 -0.04 4.32 4.39 2f9iA1 THR 117 HG23 0.03 0.03 -0.12 -0.04 1.22 1.11 2f9iA1 LYS 118 H -0.02 0.11 0.00 -0.55 8.42 7.95 2f9iA1 LYS 118 HA -0.02 0.14 0.44 -0.75 4.32 4.14 2f9iA1 LYS 118 HB2 -0.02 0.04 0.11 -0.04 1.87 1.97 2f9iA1 LYS 118 HB3 -0.03 -0.04 0.08 -0.04 1.79 1.76 2f9iA1 LYS 118 HG2 -0.03 0.00 -0.10 -0.04 1.46 1.29 2f9iA1 LYS 118 HG3 -0.01 0.03 0.06 -0.04 1.46 1.50 2f9iA1 LYS 118 HD2 -0.04 -0.01 -0.01 -0.04 1.69 1.59 2f9iA1 LYS 118 HD3 -0.04 0.04 -0.01 -0.04 1.68 1.64 2f9iA1 LYS 118 HE2 -0.01 -0.04 0.03 -0.04 2.99 2.92 2f9iA1 LYS 118 HE3 -0.02 0.04 0.01 -0.04 2.99 2.98 2f9iA1 ASP 119 H -0.04 -0.02 -0.32 -0.55 8.40 7.47 2f9iA1 ASP 119 HA 0.03 0.11 0.41 -0.75 4.63 4.42 2f9iA1 ASP 119 HB2 -0.03 -0.00 0.08 -0.04 2.71 2.72 2f9iA1 ASP 119 HB3 -0.04 -0.00 0.03 -0.04 2.70 2.65 2f9iA1 ASN 120 H -0.16 0.37 -0.30 -0.55 8.53 7.90 2f9iA1 ASN 120 HA -0.37 0.24 0.49 -0.75 4.76 4.37 2f9iA1 ASN 120 HB2 -0.46 0.11 0.16 -0.04 2.88 2.65 2f9iA1 ASN 120 HB3 -1.85 -0.03 -0.02 -0.04 2.79 0.85 2f9iA1 ASN 120 HD21 0.00 -0.00 -0.22 -0.04 7.03 6.77 2f9iA1 ASN 120 HD22 -0.03 -0.07 -0.04 -0.04 7.74 7.55 2f9iA1 ILE 121 H -0.20 0.36 -0.14 -0.55 8.25 7.73 2f9iA1 ILE 121 HA -0.08 0.04 0.46 -0.75 4.18 3.85 2f9iA1 ILE 121 HB 0.00 0.12 0.17 -0.04 1.89 2.14 2f9iA1 ILE 121 HG12 -0.06 0.17 0.17 -0.04 1.49 1.73 2f9iA1 ILE 121 HG13 0.02 -0.06 0.07 -0.04 1.21 1.20 2f9iA1 ILE 121 HG23 0.05 -0.01 -0.07 -0.04 0.93 0.86 2f9iA1 ILE 121 HD13 0.15 -0.01 0.02 -0.04 0.88 0.99 2f9iA1 TYR 122 H 0.06 0.41 -0.08 -0.55 8.29 8.14 2f9iA1 TYR 122 HA -0.05 0.03 0.46 -0.75 4.56 4.24 2f9iA1 TYR 122 HB2 -0.05 -0.02 0.11 -0.04 3.06 3.06 2f9iA1 TYR 122 HB3 -0.07 0.06 0.17 -0.04 2.98 3.09 2f9iA1 TYR 122 HD2 -0.04 -0.01 -0.01 -0.04 7.15 7.05 2f9iA1 TYR 122 HE2 -0.02 0.00 -0.01 -0.04 6.85 6.78 2f9iA1 ARG 123 H -0.07 0.57 -0.20 -0.55 8.46 8.20 2f9iA1 ARG 123 HA -0.28 0.04 0.31 -0.75 4.34 3.65 2f9iA1 ARG 123 HB2 -0.10 0.14 -0.06 -0.04 1.90 1.83 2f9iA1 ARG 123 HB3 -0.07 0.23 0.04 -0.04 1.80 1.96 2f9iA1 ARG 123 HG2 0.11 0.02 -0.03 -0.04 1.67 1.73 2f9iA1 ARG 123 HG3 0.01 -0.22 -0.26 -0.04 1.67 1.15 2f9iA1 ARG 123 HD2 -0.03 0.18 -0.03 -0.04 3.22 3.30 2f9iA1 ARG 123 HD3 -0.14 -0.02 -0.15 -0.04 3.22 2.87 2f9iA1 ASN 124 H -0.13 0.35 -0.69 -0.55 8.53 7.51 2f9iA1 ASN 124 HA 0.07 0.06 0.35 -0.75 4.76 4.49 2f9iA1 ASN 124 HB2 -0.11 -0.00 -0.07 -0.04 2.88 2.65 2f9iA1 ASN 124 HB3 -0.03 0.05 0.18 -0.04 2.79 2.95 2f9iA1 ASN 124 HD21 -1.15 -0.14 0.06 -0.04 7.03 5.76 2f9iA1 ASN 124 HD22 -0.08 0.39 0.18 -0.04 7.74 8.19 2f9iA1 PHE 125 H -0.24 0.52 -0.13 -0.55 8.34 7.94 2f9iA1 PHE 125 HA 0.02 0.15 0.37 -0.75 4.62 4.40 2f9iA1 PHE 125 HB2 0.06 0.13 -0.25 -0.04 3.15 3.05 2f9iA1 PHE 125 HB3 0.04 -0.04 0.17 -0.04 3.06 3.19 2f9iA1 PHE 125 HD2 0.03 -0.00 -0.15 -0.04 7.28 7.12 2f9iA1 PHE 125 HE2 0.03 -0.00 -0.07 -0.04 7.38 7.30 2f9iA1 PHE 125 HZ 0.03 -0.03 -0.05 -0.04 7.32 7.22 2f9iA1 GLY 126 H 0.03 0.46 -0.45 -0.55 8.43 7.92 2f9iA1 GLY 126 HA2 0.03 0.10 0.25 -0.51 4.01 3.87 2f9iA1 GLY 126 HA3 0.07 0.05 0.41 -0.51 4.01 4.03 2f9iA1 MET 127 H 0.12 0.59 -0.22 -0.55 8.47 8.41 2f9iA1 MET 127 HA 0.13 0.13 0.85 -0.75 4.52 4.88 2f9iA1 MET 127 HB2 0.23 0.12 0.22 -0.04 2.15 2.67 2f9iA1 MET 127 HB3 0.28 -0.10 -0.02 -0.04 2.03 2.14 2f9iA1 MET 127 HG2 0.14 -0.02 -0.02 -0.04 2.63 2.70 2f9iA1 MET 127 HG3 0.19 0.09 -0.11 -0.04 2.56 2.69 2f9iA1 MET 127 HE3 0.07 -0.01 -0.26 -0.04 2.10 1.86 2f9iA1 ALA 128 H 0.07 0.22 0.06 -0.55 8.40 8.21 2f9iA1 ALA 128 HA 0.04 -0.00 0.41 -0.75 4.34 4.04 2f9iA1 ALA 128 HB3 -0.30 0.03 -0.01 -0.04 1.41 1.09 2f9iA1 HIS 129 H 0.18 0.04 0.22 -0.55 8.41 8.30 2f9iA1 HIS 129 HA 0.14 0.22 0.78 -0.75 4.63 5.01 2f9iA1 HIS 129 HB2 0.02 -0.06 0.13 -0.04 3.26 3.32 2f9iA1 HIS 129 HB3 0.05 -0.02 0.12 -0.04 3.20 3.30 2f9iA1 HIS 129 HD2 0.06 -0.03 -0.08 -0.04 6.97 6.87 2f9iA1 HIS 129 HE1 -0.51 0.10 0.00 -0.04 7.75 7.29 2f9iA1 PRO 130 HA 0.29 0.10 0.43 -0.51 4.44 4.74 2f9iA1 PRO 130 HB2 0.06 0.16 -0.12 -0.04 2.28 2.34 2f9iA1 PRO 130 HB3 0.07 0.08 -0.25 -0.04 2.02 1.88 2f9iA1 PRO 130 HG2 0.03 0.00 0.01 -0.04 2.03 2.03 2f9iA1 PRO 130 HG3 0.03 0.15 -0.25 -0.04 2.03 1.92 2f9iA1 PRO 130 HD2 0.19 0.03 0.23 -0.04 3.68 4.09 2f9iA1 PRO 130 HD3 0.08 0.16 0.19 -0.04 3.65 4.03 2f9iA1 GLU 131 H 0.12 0.14 -0.18 -0.55 8.60 8.13 2f9iA1 GLU 131 HA 0.09 0.12 0.50 -0.75 4.29 4.25 2f9iA1 GLU 131 HB2 0.12 0.14 0.11 -0.04 2.09 2.42 2f9iA1 GLU 131 HB3 0.17 0.03 0.09 -0.04 1.99 2.24 2f9iA1 GLU 131 HG2 0.09 -0.11 -0.08 -0.04 2.34 2.20 2f9iA1 GLU 131 HG3 0.10 0.04 -0.17 -0.04 2.34 2.27 2f9iA1 GLY 132 H 0.05 0.26 -0.40 -0.55 8.43 7.80 2f9iA1 GLY 132 HA2 -0.05 0.07 0.48 -0.51 4.01 4.01 2f9iA1 GLY 132 HA3 -0.14 0.01 0.31 -0.51 4.01 3.68 2f9iA1 TYR 133 H -0.01 0.23 -0.07 -0.55 8.29 7.89 2f9iA1 TYR 133 HA 0.03 0.09 0.44 -0.75 4.56 4.37 2f9iA1 TYR 133 HB2 0.03 -0.01 0.05 -0.04 3.06 3.09 2f9iA1 TYR 133 HB3 0.02 0.18 -0.12 -0.04 2.98 3.02 2f9iA1 TYR 133 HD2 0.03 0.05 -0.15 -0.04 7.15 7.04 2f9iA1 TYR 133 HE2 0.04 0.04 -0.15 -0.04 6.85 6.74 2f9iA1 ARG 134 H 0.12 0.45 -0.14 -0.55 8.46 8.33 2f9iA1 ARG 134 HA 0.08 0.10 0.50 -0.75 4.34 4.27 2f9iA1 ARG 134 HB2 0.07 -0.06 0.13 -0.04 1.90 2.00 2f9iA1 ARG 134 HB3 0.06 0.04 0.08 -0.04 1.80 1.94 2f9iA1 ARG 134 HG2 0.08 0.01 0.02 -0.04 1.67 1.74 2f9iA1 ARG 134 HG3 0.09 0.23 0.02 -0.04 1.67 1.98 2f9iA1 ARG 134 HD2 0.06 -0.08 -0.05 -0.04 3.22 3.10 2f9iA1 ARG 134 HD3 0.05 0.04 -0.01 -0.04 3.22 3.25 2f9iA1 LYS 135 H 0.04 0.40 -0.24 -0.55 8.42 8.07 2f9iA1 LYS 135 HA 0.03 0.09 0.52 -0.75 4.32 4.20 2f9iA1 LYS 135 HB2 0.03 -0.17 -0.06 -0.04 1.87 1.63 2f9iA1 LYS 135 HB3 -0.00 0.12 0.19 -0.04 1.79 2.06 2f9iA1 LYS 135 HG2 -0.00 0.04 -0.36 -0.04 1.46 1.10 2f9iA1 LYS 135 HG3 0.01 0.22 -0.14 -0.04 1.46 1.51 2f9iA1 LYS 135 HD2 0.02 -0.35 0.09 -0.04 1.69 1.40 2f9iA1 LYS 135 HD3 -0.01 0.14 0.05 -0.04 1.68 1.81 2f9iA1 LYS 135 HE2 -0.04 0.01 -0.07 -0.04 2.99 2.85 2f9iA1 LYS 135 HE3 -0.04 -0.04 0.11 -0.04 2.99 2.98 2f9iA1 ALA 136 H 0.01 0.48 -0.10 -0.55 8.40 8.24 2f9iA1 ALA 136 HA 0.02 0.01 0.37 -0.75 4.34 3.99 2f9iA1 ALA 136 HB3 0.04 0.04 0.08 -0.04 1.41 1.53 2f9iA1 LEU 137 H 0.06 0.48 -0.24 -0.55 8.37 8.12 2f9iA1 LEU 137 HA 0.03 0.04 0.36 -0.75 4.35 4.03 2f9iA1 LEU 137 HB2 0.05 0.05 0.10 -0.04 1.64 1.80 2f9iA1 LEU 137 HB3 0.04 0.09 0.14 -0.04 1.64 1.87 2f9iA1 LEU 137 HG 0.02 -0.02 -0.28 -0.04 1.64 1.33 2f9iA1 LEU 137 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 2f9iA1 LEU 137 HD23 0.02 -0.01 -0.09 -0.04 0.89 0.77 2f9iA1 ARG 138 H 0.03 0.58 -0.09 -0.55 8.46 8.43 2f9iA1 ARG 138 HA 0.02 -0.01 0.49 -0.75 4.34 4.08 2f9iA1 ARG 138 HB2 0.03 0.05 0.16 -0.04 1.90 2.09 2f9iA1 ARG 138 HB3 0.02 0.15 0.17 -0.04 1.80 2.11 2f9iA1 ARG 138 HG2 0.02 -0.03 -0.22 -0.04 1.67 1.40 2f9iA1 ARG 138 HG3 0.02 -0.04 0.00 -0.04 1.67 1.61 2f9iA1 ARG 138 HD2 0.02 -0.06 -0.14 -0.04 3.22 3.00 2f9iA1 ARG 138 HD3 0.03 0.02 -0.20 -0.04 3.22 3.03 2f9iA1 LEU 139 H 0.02 0.55 -0.23 -0.55 8.37 8.16 2f9iA1 LEU 139 HA 0.02 0.01 0.41 -0.75 4.35 4.04 2f9iA1 LEU 139 HB2 0.01 0.12 0.06 -0.04 1.64 1.79 2f9iA1 LEU 139 HB3 0.01 -0.03 -0.03 -0.04 1.64 1.55 2f9iA1 LEU 139 HG 0.00 0.14 -0.05 -0.04 1.64 1.69 2f9iA1 LEU 139 HD13 -0.02 -0.00 -0.14 -0.04 0.93 0.73 2f9iA1 LEU 139 HD23 -0.02 -0.02 -0.12 -0.04 0.89 0.69 2f9iA1 MET 140 H 0.02 0.53 -0.13 -0.55 8.47 8.34 2f9iA1 MET 140 HA 0.01 0.05 0.53 -0.75 4.52 4.35 2f9iA1 MET 140 HB2 0.01 0.07 0.11 -0.04 2.15 2.30 2f9iA1 MET 140 HB3 -0.00 -0.01 -0.01 -0.04 2.03 1.97 2f9iA1 MET 140 HG2 0.01 -0.05 -0.05 -0.04 2.63 2.50 2f9iA1 MET 140 HG3 0.02 0.31 0.03 -0.04 2.56 2.88 2f9iA1 MET 140 HE3 0.04 -0.01 -0.20 -0.04 2.10 1.88 2f9iA1 LYS 141 H 0.01 0.57 -0.20 -0.55 8.42 8.25 2f9iA1 LYS 141 HA -0.01 0.03 0.50 -0.75 4.32 4.08 2f9iA1 LYS 141 HB2 0.00 0.13 0.16 -0.04 1.87 2.13 2f9iA1 LYS 141 HB3 -0.01 -0.07 -0.00 -0.04 1.79 1.66 2f9iA1 LYS 141 HG2 0.00 0.09 -0.00 -0.04 1.46 1.51 2f9iA1 LYS 141 HG3 0.00 -0.07 -0.03 -0.04 1.46 1.32 2f9iA1 LYS 141 HD2 -0.02 -0.04 0.02 -0.04 1.69 1.61 2f9iA1 LYS 141 HD3 -0.01 0.01 -0.02 -0.04 1.68 1.61 2f9iA1 LYS 141 HE2 -0.01 0.04 -0.06 -0.04 2.99 2.92 2f9iA1 LYS 141 HE3 -0.01 -0.05 -0.03 -0.04 2.99 2.86 2f9iA1 GLN 142 H 0.03 0.52 -0.16 -0.55 8.47 8.31 2f9iA1 GLN 142 HA 0.05 -0.01 0.53 -0.75 4.36 4.18 2f9iA1 GLN 142 HB2 0.06 0.16 0.19 -0.04 2.15 2.52 2f9iA1 GLN 142 HB3 0.16 -0.04 -0.04 -0.04 2.02 2.05 2f9iA1 GLN 142 HG2 0.05 0.10 0.05 -0.04 2.40 2.56 2f9iA1 GLN 142 HG3 0.06 -0.05 -0.02 -0.04 2.39 2.34 2f9iA1 GLN 142 HE21 0.10 -0.03 -0.02 -0.04 6.97 6.98 2f9iA1 GLN 142 HE22 0.04 0.02 -0.04 -0.04 7.69 7.67 2f9iA1 ALA 143 H 0.04 0.52 -0.20 -0.55 8.40 8.21 2f9iA1 ALA 143 HA 0.09 -0.04 0.30 -0.75 4.34 3.94 2f9iA1 ALA 143 HB3 0.01 0.11 0.06 -0.04 1.41 1.55 2f9iA1 GLU 144 H -0.00 0.61 -0.17 -0.55 8.60 8.49 2f9iA1 GLU 144 HA -0.01 0.04 0.34 -0.75 4.29 3.90 2f9iA1 GLU 144 HB2 -0.02 0.05 0.11 -0.04 2.09 2.19 2f9iA1 GLU 144 HB3 -0.03 0.08 0.14 -0.04 1.99 2.14 2f9iA1 GLU 144 HG2 -0.04 0.03 -0.19 -0.04 2.34 2.10 2f9iA1 GLU 144 HG3 -0.02 -0.11 0.01 -0.04 2.34 2.17 2f9iA1 LYS 145 H -0.10 0.57 -0.17 -0.55 8.42 8.17 2f9iA1 LYS 145 HA -0.20 -0.03 0.45 -0.75 4.32 3.79 2f9iA1 LYS 145 HB2 -0.25 -0.02 0.14 -0.04 1.87 1.69 2f9iA1 LYS 145 HB3 -0.51 0.13 0.16 -0.04 1.79 1.53 2f9iA1 LYS 145 HG2 -1.25 0.01 -0.26 -0.04 1.46 -0.08 2f9iA1 LYS 145 HG3 -0.40 -0.06 0.05 -0.04 1.46 1.01 2f9iA1 LYS 145 HD2 -0.25 -0.03 0.00 -0.04 1.69 1.37 2f9iA1 LYS 145 HD3 -0.50 0.01 -0.01 -0.04 1.68 1.13 2f9iA1 LYS 145 HE2 -0.52 0.01 -0.04 -0.04 2.99 2.40 2f9iA1 LYS 145 HE3 -0.23 -0.02 -0.01 -0.04 2.99 2.68 2f9iA1 PHE 146 H -0.02 0.49 -0.25 -0.55 8.34 8.00 2f9iA1 PHE 146 HA -0.00 0.09 0.75 -0.75 4.62 4.70 2f9iA1 PHE 146 HB2 -0.02 0.06 0.05 -0.04 3.15 3.20 2f9iA1 PHE 146 HB3 -0.01 -0.06 0.14 -0.04 3.06 3.09 2f9iA1 PHE 146 HD2 -0.01 0.11 -0.02 -0.04 7.28 7.32 2f9iA1 PHE 146 HE2 -0.01 -0.05 -0.02 -0.04 7.38 7.26 2f9iA1 PHE 146 HZ -0.01 -0.06 -0.03 -0.04 7.32 7.19 2f9iA1 ASN 147 H 0.01 0.37 -0.44 -0.55 8.53 7.92 2f9iA1 ASN 147 HA 0.02 0.04 0.28 -0.75 4.76 4.34 2f9iA1 ASN 147 HB2 0.03 -0.04 -0.17 -0.04 2.88 2.66 2f9iA1 ASN 147 HB3 0.05 0.04 0.10 -0.04 2.79 2.94 2f9iA1 ASN 147 HD21 0.02 -0.03 0.08 -0.04 7.03 7.05 2f9iA1 ASN 147 HD22 0.03 -0.05 0.07 -0.04 7.74 7.76 2f9iA1 ARG 148 H 0.07 0.47 -0.17 -0.55 8.46 8.27 2f9iA1 ARG 148 HA 0.05 0.23 0.77 -0.75 4.34 4.64 2f9iA1 ARG 148 HB2 0.04 -0.14 0.01 -0.04 1.90 1.77 2f9iA1 ARG 148 HB3 0.02 -0.01 -0.09 -0.04 1.80 1.68 2f9iA1 ARG 148 HG2 0.03 0.10 -0.19 -0.04 1.67 1.57 2f9iA1 ARG 148 HG3 0.09 0.01 -0.17 -0.04 1.67 1.55 2f9iA1 ARG 148 HD2 -0.05 -0.04 -0.44 -0.04 3.22 2.65 2f9iA1 ARG 148 HD3 -0.08 -0.07 -0.15 -0.04 3.22 2.88 2f9iA1 PRO 149 HA -0.10 0.20 0.59 -0.51 4.44 4.61 2f9iA1 PRO 149 HB2 -0.02 -0.09 -0.06 -0.04 2.28 2.07 2f9iA1 PRO 149 HB3 -0.19 0.02 0.05 -0.04 2.02 1.85 2f9iA1 PRO 149 HG2 0.11 -0.02 0.05 -0.04 2.03 2.13 2f9iA1 PRO 149 HG3 0.02 0.06 0.09 -0.04 2.03 2.16 2f9iA1 PRO 149 HD2 0.08 0.25 0.35 -0.04 3.68 4.32 2f9iA1 PRO 149 HD3 0.05 0.26 0.34 -0.04 3.65 4.26 2f9iA1 ILE 150 H -0.25 0.71 0.35 -0.55 8.25 8.50 2f9iA1 ILE 150 HA -0.09 0.25 1.07 -0.75 4.18 4.66 2f9iA1 ILE 150 HB -0.12 -0.00 0.11 -0.04 1.89 1.84 2f9iA1 ILE 150 HG12 -0.03 -0.05 -0.05 -0.04 1.49 1.31 2f9iA1 ILE 150 HG13 -0.05 0.14 -0.23 -0.04 1.21 1.02 2f9iA1 ILE 150 HG23 -0.04 -0.03 -0.26 -0.04 0.93 0.56 2f9iA1 ILE 150 HD13 -0.03 0.02 -0.01 -0.04 0.88 0.82 2f9iA1 PHE 151 H 0.04 0.64 0.38 -0.55 8.34 8.85 2f9iA1 PHE 151 HA -0.23 0.36 1.05 -0.75 4.62 5.05 2f9iA1 PHE 151 HB2 -0.12 -0.05 0.08 -0.04 3.15 3.02 2f9iA1 PHE 151 HB3 -0.40 -0.03 -0.04 -0.04 3.06 2.56 2f9iA1 PHE 151 HD2 -0.74 0.03 -0.14 -0.04 7.28 6.40 2f9iA1 PHE 151 HE2 -0.12 0.02 -0.12 -0.04 7.38 7.12 2f9iA1 PHE 151 HZ 0.00 0.04 -0.14 -0.04 7.32 7.18 2f9iA1 THR 152 H -0.05 0.66 0.42 -0.55 8.28 8.77 2f9iA1 THR 152 HA 0.16 0.37 1.24 -0.75 4.39 5.40 2f9iA1 THR 152 HB 0.08 -0.06 0.03 -0.04 4.32 4.33 2f9iA1 THR 152 HG23 0.02 0.01 -0.21 -0.04 1.22 1.00 2f9iA1 PHE 153 H 0.33 0.56 0.50 -0.55 8.34 9.18 2f9iA1 PHE 153 HA 0.13 0.25 1.07 -0.75 4.62 5.32 2f9iA1 PHE 153 HB2 0.10 -0.03 0.21 -0.04 3.15 3.39 2f9iA1 PHE 153 HB3 0.12 -0.05 0.04 -0.04 3.06 3.13 2f9iA1 PHE 153 HD2 0.17 0.05 -0.14 -0.04 7.28 7.32 2f9iA1 PHE 153 HE2 0.22 -0.00 -0.17 -0.04 7.38 7.40 2f9iA1 PHE 153 HZ 0.44 0.01 -0.18 -0.04 7.32 7.54 2f9iA1 ILE 154 H 0.07 0.74 0.34 -0.55 8.25 8.84 2f9iA1 ILE 154 HA 0.08 0.06 0.85 -0.75 4.18 4.42 2f9iA1 ILE 154 HB -0.08 -0.02 0.08 -0.04 1.89 1.82 2f9iA1 ILE 154 HG12 0.04 0.08 -0.12 -0.04 1.49 1.45 2f9iA1 ILE 154 HG13 0.03 -0.02 -0.21 -0.04 1.21 0.96 2f9iA1 ILE 154 HG23 -0.09 0.00 -0.06 -0.04 0.93 0.73 2f9iA1 ILE 154 HD13 -0.04 -0.01 -0.19 -0.04 0.88 0.60 2f9iA1 ASP 155 H 0.08 0.18 0.10 -0.55 8.40 8.21 2f9iA1 ASP 155 HA 0.06 0.03 0.71 -0.75 4.63 4.68 2f9iA1 ASP 155 HB2 0.14 0.02 -0.28 -0.04 2.71 2.54 2f9iA1 ASP 155 HB3 0.10 0.09 0.09 -0.04 2.70 2.93 2f9iA1 THR 156 H 0.05 0.69 0.21 -0.55 8.28 8.68 2f9iA1 THR 156 HA 0.08 0.26 0.87 -0.75 4.39 4.84 2f9iA1 THR 156 HB 0.08 0.09 -0.24 -0.04 4.32 4.21 2f9iA1 THR 156 HG23 0.10 -0.02 -0.23 -0.04 1.22 1.03 2f9iA1 LYS 157 H 0.09 0.34 0.11 -0.55 8.42 8.42 2f9iA1 LYS 157 HA 0.07 0.03 0.62 -0.75 4.32 4.28 2f9iA1 LYS 157 HB2 0.05 -0.06 0.09 -0.04 1.87 1.90 2f9iA1 LYS 157 HB3 0.06 0.04 0.09 -0.04 1.79 1.93 2f9iA1 LYS 157 HG2 0.09 0.12 0.07 -0.04 1.46 1.70 2f9iA1 LYS 157 HG3 0.07 0.05 -0.16 -0.04 1.46 1.38 2f9iA1 LYS 157 HD2 0.00 0.04 0.01 -0.04 1.69 1.70 2f9iA1 LYS 157 HD3 -0.01 0.04 -0.03 -0.04 1.68 1.63 2f9iA1 LYS 157 HE2 0.01 -0.01 -0.09 -0.04 2.99 2.87 2f9iA1 LYS 157 HE3 0.02 -0.07 -0.01 -0.04 2.99 2.89 2f9iA1 GLY 158 H 0.10 0.19 -0.17 -0.55 8.43 8.01 2f9iA1 GLY 158 HA2 0.10 0.11 0.13 -0.51 4.01 3.83 2f9iA1 GLY 158 HA3 0.07 0.14 0.64 -0.51 4.01 4.35 2f9iA1 ALA 159 H 0.10 -0.02 0.12 -0.55 8.40 8.05 2f9iA1 ALA 159 HA 0.22 0.04 0.56 -0.75 4.34 4.41 2f9iA1 ALA 159 HB3 0.12 -0.00 0.03 -0.04 1.41 1.51 2f9iA1 TYR 160 H 0.17 0.61 0.08 -0.55 8.29 8.60 2f9iA1 TYR 160 HA -0.02 0.17 0.31 -0.75 4.56 4.27 2f9iA1 TYR 160 HB2 -0.07 0.24 -0.10 -0.04 3.06 3.08 2f9iA1 TYR 160 HB3 -0.43 -0.17 0.04 -0.04 2.98 2.37 2f9iA1 TYR 160 HD2 -0.15 -0.07 -0.06 -0.04 7.15 6.82 2f9iA1 TYR 160 HE2 0.06 -0.07 -0.03 -0.04 6.85 6.76 2f9iA1 PRO 161 HA -0.19 0.10 0.74 -0.51 4.44 4.58 2f9iA1 PRO 161 HB2 -0.18 -0.00 0.16 -0.04 2.28 2.22 2f9iA1 PRO 161 HB3 -0.13 0.04 0.08 -0.04 2.02 1.97 2f9iA1 PRO 161 HG2 -0.35 -0.01 0.15 -0.04 2.03 1.79 2f9iA1 PRO 161 HG3 -0.15 0.03 0.07 -0.04 2.03 1.94 2f9iA1 PRO 161 HD2 -0.53 0.06 0.11 -0.04 3.68 3.28 2f9iA1 PRO 161 HD3 -0.13 0.32 0.14 -0.04 3.65 3.94 2f9iA1 GLY 162 H -0.20 0.27 -0.08 -0.55 8.43 7.88 2f9iA1 GLY 162 HA2 -0.15 0.29 0.87 -0.51 4.01 4.51 2f9iA1 GLY 162 HA3 0.04 -0.03 0.25 -0.51 4.01 3.76 2f9iA1 LYS 163 H 0.06 0.21 0.17 -0.55 8.42 8.30 2f9iA1 LYS 163 HA 0.01 0.16 0.49 -0.75 4.32 4.22 2f9iA1 LYS 163 HB2 0.03 0.08 0.14 -0.04 1.87 2.08 2f9iA1 LYS 163 HB3 0.06 -0.04 0.19 -0.04 1.79 1.96 2f9iA1 LYS 163 HG2 0.03 -0.02 -0.24 -0.04 1.46 1.19 2f9iA1 LYS 163 HG3 0.02 0.04 0.04 -0.04 1.46 1.51 2f9iA1 LYS 163 HD2 0.02 0.04 -0.01 -0.04 1.69 1.71 2f9iA1 LYS 163 HD3 0.03 0.03 0.02 -0.04 1.68 1.72 2f9iA1 LYS 163 HE2 0.04 0.05 0.01 -0.04 2.99 3.05 2f9iA1 LYS 163 HE3 0.05 -0.02 0.04 -0.04 2.99 3.01 2f9iA1 ALA 164 H 0.12 0.13 0.04 -0.55 8.40 8.15 2f9iA1 ALA 164 HA 0.04 0.13 0.46 -0.75 4.34 4.22 2f9iA1 ALA 164 HB3 0.14 0.04 0.07 -0.04 1.41 1.61 2f9iA1 ALA 165 H 0.12 0.04 -0.32 -0.55 8.40 7.69 2f9iA1 ALA 165 HA 0.08 0.03 0.46 -0.75 4.34 4.15 2f9iA1 ALA 165 HB3 -0.12 0.01 0.12 -0.04 1.41 1.38 2f9iA1 GLU 166 H 0.00 0.39 -0.25 -0.55 8.60 8.20 2f9iA1 GLU 166 HA -0.02 -0.09 0.55 -0.75 4.29 3.98 2f9iA1 GLU 166 HB2 -0.01 0.14 0.22 -0.04 2.09 2.40 2f9iA1 GLU 166 HB3 -0.02 0.00 0.04 -0.04 1.99 1.97 2f9iA1 GLU 166 HG2 -0.04 0.17 0.10 -0.04 2.34 2.53 2f9iA1 GLU 166 HG3 -0.03 0.01 0.02 -0.04 2.34 2.31 2f9iA1 GLU 167 H -0.00 0.50 0.05 -0.55 8.60 8.60 2f9iA1 GLU 167 HA -0.02 0.05 0.49 -0.75 4.29 4.06 2f9iA1 GLU 167 HB2 -0.02 0.01 0.20 -0.04 2.09 2.25 2f9iA1 GLU 167 HB3 -0.03 0.01 0.01 -0.04 1.99 1.94 2f9iA1 GLU 167 HG2 -0.00 0.00 0.07 -0.04 2.34 2.37 2f9iA1 GLU 167 HG3 0.00 0.09 0.11 -0.04 2.34 2.51 2f9iA1 ARG 168 H -0.04 0.48 -0.25 -0.55 8.46 8.09 2f9iA1 ARG 168 HA -0.10 0.18 0.65 -0.75 4.34 4.32 2f9iA1 ARG 168 HB2 -0.09 -0.02 0.07 -0.04 1.90 1.82 2f9iA1 ARG 168 HB3 -0.18 -0.07 0.14 -0.04 1.80 1.66 2f9iA1 ARG 168 HG2 -0.34 0.06 -0.05 -0.04 1.67 1.30 2f9iA1 ARG 168 HG3 -0.23 0.06 0.01 -0.04 1.67 1.47 2f9iA1 ARG 168 HD2 -0.93 -0.04 -0.01 -0.04 3.22 2.20 2f9iA1 ARG 168 HD3 -1.74 0.04 -0.02 -0.04 3.22 1.45 2f9iA1 GLY 169 H -0.02 0.39 -0.44 -0.55 8.43 7.81 2f9iA1 GLY 169 HA2 -0.02 0.03 0.30 -0.51 4.01 3.82 2f9iA1 GLY 169 HA3 -0.01 0.11 0.29 -0.51 4.01 3.88 2f9iA1 GLN 170 H -0.01 0.46 0.21 -0.55 8.47 8.58 2f9iA1 GLN 170 HA 0.04 -0.01 0.36 -0.75 4.36 3.99 2f9iA1 GLN 170 HB2 -0.00 0.08 -0.04 -0.04 2.15 2.15 2f9iA1 GLN 170 HB3 -0.02 -0.06 0.04 -0.04 2.02 1.94 2f9iA1 GLN 170 HG2 -0.01 0.09 -0.11 -0.04 2.40 2.33 2f9iA1 GLN 170 HG3 -0.03 -0.03 -0.22 -0.04 2.39 2.07 2f9iA1 GLN 170 HE21 0.10 0.21 0.22 -0.04 6.97 7.46 2f9iA1 GLN 170 HE22 0.02 0.33 0.02 -0.04 7.69 8.02 2f9iA1 SER 171 H -0.03 0.13 -0.11 -0.55 8.46 7.90 2f9iA1 SER 171 HA -0.07 0.06 0.35 -0.75 4.49 4.08 2f9iA1 SER 171 HB2 -0.03 -0.01 0.07 -0.04 3.95 3.94 2f9iA1 SER 171 HB3 -0.04 0.07 -0.00 -0.04 3.93 3.92 2f9iA1 GLU 172 H -0.03 0.08 -0.26 -0.55 8.60 7.85 2f9iA1 GLU 172 HA -0.03 0.04 0.37 -0.75 4.29 3.92 2f9iA1 GLU 172 HB2 -0.02 -0.05 0.09 -0.04 2.09 2.07 2f9iA1 GLU 172 HB3 -0.01 0.15 0.13 -0.04 1.99 2.22 2f9iA1 GLU 172 HG2 -0.01 -0.02 0.02 -0.04 2.34 2.29 2f9iA1 GLU 172 HG3 -0.01 0.02 -0.01 -0.04 2.34 2.30 2f9iA1 SER 173 H -0.01 0.65 -0.05 -0.55 8.46 8.51 2f9iA1 SER 173 HA 0.03 0.05 0.38 -0.75 4.49 4.19 2f9iA1 SER 173 HB2 0.15 -0.01 0.12 -0.04 3.95 4.16 2f9iA1 SER 173 HB3 0.07 0.05 0.12 -0.04 3.93 4.12 2f9iA1 ILE 174 H -0.14 0.43 -0.18 -0.55 8.25 7.82 2f9iA1 ILE 174 HA -0.33 0.09 0.47 -0.75 4.18 3.66 2f9iA1 ILE 174 HB -0.20 0.06 0.12 -0.04 1.89 1.83 2f9iA1 ILE 174 HG12 -1.20 0.02 -0.05 -0.04 1.49 0.22 2f9iA1 ILE 174 HG13 -0.63 0.01 -0.01 -0.04 1.21 0.53 2f9iA1 ILE 174 HG23 -0.19 -0.02 -0.19 -0.04 0.93 0.49 2f9iA1 ILE 174 HD13 -0.24 -0.04 -0.18 -0.04 0.88 0.37 2f9iA1 ALA 175 H -0.09 0.66 0.07 -0.55 8.40 8.50 2f9iA1 ALA 175 HA -0.07 0.01 0.50 -0.75 4.34 4.03 2f9iA1 ALA 175 HB3 -0.05 -0.00 0.09 -0.04 1.41 1.41 2f9iA1 THR 176 H -0.03 0.71 -0.14 -0.55 8.28 8.27 2f9iA1 THR 176 HA -0.02 0.01 0.53 -0.75 4.39 4.15 2f9iA1 THR 176 HB -0.00 0.10 0.11 -0.04 4.32 4.49 2f9iA1 THR 176 HG23 0.00 -0.01 -0.11 -0.04 1.22 1.07 2f9iA1 ASN 177 H -0.02 0.38 -0.23 -0.55 8.53 8.11 2f9iA1 ASN 177 HA 0.01 -0.02 0.51 -0.75 4.76 4.51 2f9iA1 ASN 177 HB2 -0.02 0.06 0.29 -0.04 2.88 3.17 2f9iA1 ASN 177 HB3 0.03 0.16 0.12 -0.04 2.79 3.05 2f9iA1 ASN 177 HD21 0.18 0.14 0.14 -0.04 7.03 7.44 2f9iA1 ASN 177 HD22 0.22 0.31 0.12 -0.04 7.74 8.34 2f9iA1 LEU 178 H -0.06 0.40 -0.20 -0.55 8.37 7.96 2f9iA1 LEU 178 HA -0.10 0.06 0.36 -0.75 4.35 3.91 2f9iA1 LEU 178 HB2 -0.08 0.07 0.15 -0.04 1.64 1.74 2f9iA1 LEU 178 HB3 -0.13 -0.01 0.03 -0.04 1.64 1.49 2f9iA1 LEU 178 HG -0.09 0.20 0.03 -0.04 1.64 1.73 2f9iA1 LEU 178 HD13 -0.08 -0.03 -0.05 -0.04 0.93 0.73 2f9iA1 LEU 178 HD23 -0.09 -0.03 -0.20 -0.04 0.89 0.53 2f9iA1 ILE 179 H -0.04 0.38 -0.10 -0.55 8.25 7.94 2f9iA1 ILE 179 HA -0.04 0.08 0.42 -0.75 4.18 3.90 2f9iA1 ILE 179 HB -0.01 -0.02 0.04 -0.04 1.89 1.85 2f9iA1 ILE 179 HG12 -0.02 0.10 0.14 -0.04 1.49 1.67 2f9iA1 ILE 179 HG13 -0.02 0.11 0.03 -0.04 1.21 1.29 2f9iA1 ILE 179 HG23 -0.03 0.00 0.01 -0.04 0.93 0.87 2f9iA1 ILE 179 HD13 -0.01 -0.03 -0.03 -0.04 0.88 0.77 2f9iA1 GLU 180 H -0.02 0.50 -0.15 -0.55 8.60 8.38 2f9iA1 GLU 180 HA -0.01 0.05 0.47 -0.75 4.29 4.04 2f9iA1 GLU 180 HB2 -0.00 0.06 0.10 -0.04 2.09 2.20 2f9iA1 GLU 180 HB3 -0.00 -0.04 -0.03 -0.04 1.99 1.88 2f9iA1 GLU 180 HG2 -0.01 0.10 0.05 -0.04 2.34 2.45 2f9iA1 GLU 180 HG3 0.00 -0.07 -0.03 -0.04 2.34 2.20 2f9iA1 MET 181 H -0.03 0.67 -0.05 -0.55 8.47 8.51 2f9iA1 MET 181 HA -0.02 -0.01 0.52 -0.75 4.52 4.26 2f9iA1 MET 181 HB2 -0.07 0.06 0.14 -0.04 2.15 2.23 2f9iA1 MET 181 HB3 -0.04 0.19 0.06 -0.04 2.03 2.19 2f9iA1 MET 181 HG2 -0.00 -0.07 -0.01 -0.04 2.63 2.51 2f9iA1 MET 181 HG3 -0.01 0.08 0.09 -0.04 2.56 2.68 2f9iA1 MET 181 HE3 0.00 -0.00 -0.31 -0.04 2.10 1.75 2f9iA1 ALA 182 H -0.05 0.36 -0.32 -0.55 8.40 7.84 2f9iA1 ALA 182 HA -0.04 0.02 0.25 -0.75 4.34 3.82 2f9iA1 ALA 182 HB3 -0.02 0.04 0.08 -0.04 1.41 1.47 2f9iA1 SER 183 H 0.00 0.23 -0.43 -0.55 8.46 7.72 2f9iA1 SER 183 HA 0.04 0.17 0.72 -0.75 4.49 4.67 2f9iA1 SER 183 HB2 0.01 -0.09 0.12 -0.04 3.95 3.95 2f9iA1 SER 183 HB3 0.03 -0.06 -0.03 -0.04 3.93 3.83 2f9iA1 LEU 184 H 0.00 0.44 -0.29 -0.55 8.37 7.97 2f9iA1 LEU 184 HA -0.01 -0.07 0.40 -0.75 4.35 3.92 2f9iA1 LEU 184 HB2 -0.01 0.20 0.14 -0.04 1.64 1.93 2f9iA1 LEU 184 HB3 -0.01 -0.12 0.01 -0.04 1.64 1.48 2f9iA1 LEU 184 HG -0.01 0.22 0.14 -0.04 1.64 1.95 2f9iA1 LEU 184 HD13 -0.01 -0.00 -0.01 -0.04 0.93 0.86 2f9iA1 LEU 184 HD23 -0.01 -0.04 -0.07 -0.04 0.89 0.74 2f9iA1 LYS 185 H -0.01 0.06 0.15 -0.55 8.42 8.07 2f9iA1 LYS 185 HA -0.00 0.25 0.69 -0.75 4.32 4.51 2f9iA1 LYS 185 HB2 -0.01 0.01 0.12 -0.04 1.87 1.95 2f9iA1 LYS 185 HB3 -0.01 -0.15 0.23 -0.04 1.79 1.82 2f9iA1 LYS 185 HG2 -0.00 0.10 -0.06 -0.04 1.46 1.45 2f9iA1 LYS 185 HG3 -0.01 0.03 0.06 -0.04 1.46 1.50 2f9iA1 LYS 185 HD2 -0.02 0.01 0.02 -0.04 1.69 1.66 2f9iA1 LYS 185 HD3 -0.01 -0.13 -0.03 -0.04 1.68 1.46 2f9iA1 LYS 185 HE2 -0.01 0.01 -0.00 -0.04 2.99 2.94 2f9iA1 LYS 185 HE3 -0.01 -0.08 -0.01 -0.04 2.99 2.84 2f9iA1 VAL 186 H -0.01 0.14 -0.36 -0.55 8.24 7.46 2f9iA1 VAL 186 HA -0.01 0.19 0.62 -0.75 4.13 4.17 2f9iA1 VAL 186 HB -0.03 0.10 -0.20 -0.04 2.12 1.94 2f9iA1 VAL 186 HG13 -0.00 0.00 -0.27 -0.04 0.97 0.66 2f9iA1 VAL 186 HG23 -0.03 -0.04 -0.16 -0.04 0.95 0.69 2f9iA1 PRO 187 HA -0.04 0.08 0.57 -0.51 4.44 4.53 2f9iA1 PRO 187 HB2 -0.13 -0.02 -0.08 -0.04 2.28 2.01 2f9iA1 PRO 187 HB3 -0.04 0.06 0.07 -0.04 2.02 2.07 2f9iA1 PRO 187 HG2 -0.07 -0.04 0.09 -0.04 2.03 1.97 2f9iA1 PRO 187 HG3 -0.02 0.11 0.03 -0.04 2.03 2.11 2f9iA1 PRO 187 HD2 -0.03 0.13 0.09 -0.04 3.68 3.83 2f9iA1 PRO 187 HD3 -0.01 0.19 0.06 -0.04 3.65 3.84 2f9iA1 VAL 188 H -0.07 0.14 0.24 -0.55 8.24 8.00 2f9iA1 VAL 188 HA -0.22 0.31 1.03 -0.75 4.13 4.50 2f9iA1 VAL 188 HB -0.03 -0.14 0.21 -0.04 2.12 2.13 2f9iA1 VAL 188 HG13 -0.05 -0.00 -0.27 -0.04 0.97 0.61 2f9iA1 VAL 188 HG23 -0.05 0.08 -0.14 -0.04 0.95 0.79 2f9iA1 ILE 189 H -0.40 0.79 0.36 -0.55 8.25 8.44 2f9iA1 ILE 189 HA -0.07 0.23 1.06 -0.75 4.18 4.64 2f9iA1 ILE 189 HB -0.51 -0.01 0.10 -0.04 1.89 1.42 2f9iA1 ILE 189 HG12 -0.04 0.01 -0.13 -0.04 1.49 1.30 2f9iA1 ILE 189 HG13 -0.23 -0.10 -0.56 -0.04 1.21 0.28 2f9iA1 ILE 189 HG23 0.14 -0.01 -0.16 -0.04 0.93 0.85 2f9iA1 ILE 189 HD13 -0.03 0.01 -0.18 -0.04 0.88 0.64 2f9iA1 ALA 190 H 0.02 0.68 0.39 -0.55 8.40 8.94 2f9iA1 ALA 190 HA -0.02 0.22 1.08 -0.75 4.34 4.87 2f9iA1 ALA 190 HB3 0.04 0.01 0.04 -0.04 1.41 1.46 2f9iA1 ILE 191 H -0.05 0.55 0.34 -0.55 8.25 8.54 2f9iA1 ILE 191 HA 0.00 0.28 0.79 -0.75 4.18 4.50 2f9iA1 ILE 191 HB 0.10 0.04 -0.12 -0.04 1.89 1.87 2f9iA1 ILE 191 HG12 -0.06 -0.04 -0.51 -0.04 1.49 0.83 2f9iA1 ILE 191 HG13 -0.05 -0.02 -0.34 -0.04 1.21 0.75 2f9iA1 ILE 191 HG23 -0.33 0.01 0.02 -0.04 0.93 0.59 2f9iA1 ILE 191 HD13 -0.22 -0.01 -0.18 -0.04 0.88 0.43 2f9iA1 VAL 192 H -0.05 0.66 0.31 -0.55 8.24 8.61 2f9iA1 VAL 192 HA -0.04 0.15 0.98 -0.75 4.13 4.47 2f9iA1 VAL 192 HB -0.08 -0.08 0.22 -0.04 2.12 2.14 2f9iA1 VAL 192 HG13 -0.12 0.09 -0.22 -0.04 0.97 0.68 2f9iA1 VAL 192 HG23 -0.37 0.03 -0.01 -0.04 0.95 0.56 2f9iA1 ILE 193 H 0.09 0.57 0.30 -0.55 8.25 8.66 2f9iA1 ILE 193 HA 0.07 0.05 0.82 -0.75 4.18 4.37 2f9iA1 ILE 193 HB 0.37 0.01 0.03 -0.04 1.89 2.26 2f9iA1 ILE 193 HG12 0.32 0.04 -0.05 -0.04 1.49 1.76 2f9iA1 ILE 193 HG13 0.21 0.05 -0.16 -0.04 1.21 1.26 2f9iA1 ILE 193 HG23 0.17 -0.00 -0.18 -0.04 0.93 0.88 2f9iA1 ILE 193 HD13 0.40 0.01 -0.19 -0.04 0.88 1.05 2f9iA1 GLY 194 H 0.06 0.20 0.07 -0.55 8.43 8.21 2f9iA1 GLY 194 HA2 0.06 0.28 0.87 -0.51 4.01 4.71 2f9iA1 GLY 194 HA3 0.06 -0.06 0.40 -0.51 4.01 3.90 2f9iA1 GLU 195 H 0.04 0.12 0.06 -0.55 8.60 8.28 2f9iA1 GLU 195 HA 0.02 0.04 0.75 -0.75 4.29 4.35 2f9iA1 GLU 195 HB2 0.05 -0.04 -0.25 -0.04 2.09 1.81 2f9iA1 GLU 195 HB3 0.05 -0.02 -0.09 -0.04 1.99 1.89 2f9iA1 GLU 195 HG2 0.01 0.02 -0.12 -0.04 2.34 2.21 2f9iA1 GLU 195 HG3 0.03 0.11 -0.15 -0.04 2.34 2.29 2f9iA1 GLY 196 H 0.05 0.10 -0.19 -0.55 8.43 7.83 2f9iA1 GLY 196 HA2 -0.10 0.08 0.77 -0.51 4.01 4.25 2f9iA1 GLY 196 HA3 -0.18 0.13 0.43 -0.51 4.01 3.89 2f9iA1 GLY 197 H 0.07 0.44 -0.16 -0.55 8.43 8.24 2f9iA1 GLY 197 HA2 0.11 0.05 0.29 -0.51 4.01 3.94 2f9iA1 GLY 197 HA3 0.09 0.06 -0.18 -0.51 4.01 3.47 2f9iA1 SER 198 H 0.17 0.60 0.29 -0.55 8.46 8.97 2f9iA1 SER 198 HA 0.09 0.14 0.33 -0.75 4.49 4.31 2f9iA1 SER 198 HB2 0.06 0.03 -0.21 -0.04 3.95 3.79 2f9iA1 SER 198 HB3 0.05 -0.12 -0.09 -0.04 3.93 3.73 2f9iA1 GLY 199 H 0.03 0.19 0.17 -0.55 8.43 8.27 2f9iA1 GLY 199 HA2 0.01 0.11 0.30 -0.51 4.01 3.91 2f9iA1 GLY 199 HA3 -0.02 0.07 0.33 -0.51 4.01 3.87 2f9iA1 GLY 200 H 0.04 0.14 -0.09 -0.55 8.43 7.99 2f9iA1 GLY 200 HA2 0.02 0.06 0.39 -0.51 4.01 3.97 2f9iA1 GLY 200 HA3 0.14 -0.17 0.28 -0.51 4.01 3.76 2f9iA1 ALA 201 H 0.13 0.50 -0.54 -0.55 8.40 7.94 2f9iA1 ALA 201 HA 0.12 0.04 0.51 -0.75 4.34 4.26 2f9iA1 ALA 201 HB3 0.11 0.01 -0.24 -0.04 1.41 1.25 2f9iA1 LEU 202 H 0.14 0.36 -0.15 -0.55 8.37 8.17 2f9iA1 LEU 202 HA 0.18 0.08 0.25 -0.75 4.35 4.10 2f9iA1 LEU 202 HB2 0.11 0.01 -0.04 -0.04 1.64 1.68 2f9iA1 LEU 202 HB3 0.02 0.02 -0.01 -0.04 1.64 1.63 2f9iA1 LEU 202 HG -0.04 -0.01 -0.13 -0.04 1.64 1.42 2f9iA1 LEU 202 HD13 0.12 0.01 -0.11 -0.04 0.93 0.91 2f9iA1 LEU 202 HD23 -0.02 -0.00 -0.09 -0.04 0.89 0.74 2f9iA1 GLY 203 H 0.02 0.43 -0.38 -0.55 8.43 7.95 2f9iA1 GLY 203 HA2 -0.07 0.06 0.35 -0.51 4.01 3.84 2f9iA1 GLY 203 HA3 -0.13 -0.04 0.20 -0.51 4.01 3.53 2f9iA1 ILE 204 H 0.14 0.37 -0.64 -0.55 8.25 7.57 2f9iA1 ILE 204 HA 0.09 0.19 0.49 -0.75 4.18 4.20 2f9iA1 ILE 204 HB 0.09 -0.02 0.08 -0.04 1.89 2.00 2f9iA1 ILE 204 HG12 0.18 0.01 -0.10 -0.04 1.49 1.54 2f9iA1 ILE 204 HG13 0.10 0.12 -0.18 -0.04 1.21 1.21 2f9iA1 ILE 204 HG23 0.16 -0.02 -0.16 -0.04 0.93 0.86 2f9iA1 ILE 204 HD13 0.09 -0.05 -0.06 -0.04 0.88 0.82 2f9iA1 GLY 205 H 0.05 0.64 -0.17 -0.55 8.43 8.41 2f9iA1 GLY 205 HA2 0.09 0.11 0.61 -0.51 4.01 4.31 2f9iA1 GLY 205 HA3 0.14 -0.04 0.19 -0.51 4.01 3.79 2f9iA1 ILE 206 H -0.01 0.10 -0.19 -0.55 8.25 7.60 2f9iA1 ILE 206 HA -0.31 0.12 0.52 -0.75 4.18 3.76 2f9iA1 ILE 206 HB -0.14 -0.04 0.08 -0.04 1.89 1.76 2f9iA1 ILE 206 HG12 -0.16 0.04 -0.03 -0.04 1.49 1.30 2f9iA1 ILE 206 HG13 -0.24 -0.02 0.05 -0.04 1.21 0.95 2f9iA1 ILE 206 HG23 -0.43 0.05 -0.15 -0.04 0.93 0.36 2f9iA1 ILE 206 HD13 -0.61 0.00 -0.08 -0.04 0.88 0.14 2f9iA1 ALA 207 H 0.34 0.37 0.07 -0.55 8.40 8.64 2f9iA1 ALA 207 HA 0.07 0.16 0.74 -0.75 4.34 4.55 2f9iA1 ALA 207 HB3 0.06 0.03 -0.26 -0.04 1.41 1.21 2f9iA1 ASN 208 H 0.03 0.25 0.30 -0.55 8.53 8.57 2f9iA1 ASN 208 HA 0.07 0.09 0.52 -0.75 4.76 4.69 2f9iA1 ASN 208 HB2 -0.01 -0.01 0.19 -0.04 2.88 3.01 2f9iA1 ASN 208 HB3 0.02 -0.01 0.04 -0.04 2.79 2.80 2f9iA1 ASN 208 HD21 0.04 0.44 0.13 -0.04 7.03 7.60 2f9iA1 ASN 208 HD22 0.04 -0.10 0.00 -0.04 7.74 7.65 2f9iA1 LYS 209 H 0.02 0.36 0.16 -0.55 8.42 8.40 2f9iA1 LYS 209 HA 0.01 0.20 0.84 -0.75 4.32 4.62 2f9iA1 LYS 209 HB2 0.03 -0.07 0.04 -0.04 1.87 1.83 2f9iA1 LYS 209 HB3 0.04 -0.04 -0.01 -0.04 1.79 1.74 2f9iA1 LYS 209 HG2 0.01 -0.08 -0.44 -0.04 1.46 0.91 2f9iA1 LYS 209 HG3 0.03 0.00 -0.11 -0.04 1.46 1.34 2f9iA1 LYS 209 HD2 0.02 -0.07 -0.00 -0.04 1.69 1.59 2f9iA1 LYS 209 HD3 0.01 0.28 0.05 -0.04 1.68 1.97 2f9iA1 LYS 209 HE2 0.01 -0.00 -0.12 -0.04 2.99 2.84 2f9iA1 LYS 209 HE3 0.02 -0.03 -0.07 -0.04 2.99 2.87 2f9iA1 VAL 210 H 0.03 0.20 0.16 -0.55 8.24 8.09 2f9iA1 VAL 210 HA 0.06 0.29 1.09 -0.75 4.13 4.82 2f9iA1 VAL 210 HB 0.08 0.03 0.17 -0.04 2.12 2.35 2f9iA1 VAL 210 HG13 0.14 -0.03 -0.14 -0.04 0.97 0.91 2f9iA1 VAL 210 HG23 0.14 0.03 -0.15 -0.04 0.95 0.93 2f9iA1 LEU 211 H 0.05 0.71 0.41 -0.55 8.37 8.99 2f9iA1 LEU 211 HA 0.02 0.23 1.01 -0.75 4.35 4.86 2f9iA1 LEU 211 HB2 0.04 -0.06 0.06 -0.04 1.64 1.64 2f9iA1 LEU 211 HB3 -0.01 -0.02 0.01 -0.04 1.64 1.58 2f9iA1 LEU 211 HG 0.10 0.02 -0.27 -0.04 1.64 1.45 2f9iA1 LEU 211 HD13 0.19 0.00 -0.21 -0.04 0.93 0.87 2f9iA1 LEU 211 HD23 0.04 0.01 -0.17 -0.04 0.89 0.73 2f9iA1 MET 212 H -0.02 0.54 0.36 -0.55 8.47 8.80 2f9iA1 MET 212 HA -0.03 0.10 0.83 -0.75 4.52 4.67 2f9iA1 MET 212 HB2 -0.02 -0.04 0.01 -0.04 2.15 2.06 2f9iA1 MET 212 HB3 -0.02 0.13 -0.03 -0.04 2.03 2.07 2f9iA1 MET 212 HG2 -0.02 -0.01 0.02 -0.04 2.63 2.58 2f9iA1 MET 212 HG3 0.05 -0.00 -0.45 -0.04 2.56 2.11 2f9iA1 MET 212 HE3 0.05 0.04 -0.43 -0.04 2.10 1.73 2f9iA1 LEU 213 H -0.03 0.59 0.25 -0.55 8.37 8.62 2f9iA1 LEU 213 HA -0.06 0.20 0.77 -0.75 4.35 4.51 2f9iA1 LEU 213 HB2 0.00 0.04 0.18 -0.04 1.64 1.82 2f9iA1 LEU 213 HB3 -0.01 -0.11 0.10 -0.04 1.64 1.57 2f9iA1 LEU 213 HG -0.04 0.09 0.05 -0.04 1.64 1.70 2f9iA1 LEU 213 HD13 0.04 0.03 0.07 -0.04 0.93 1.02 2f9iA1 LEU 213 HD23 -0.14 -0.00 -0.06 -0.04 0.89 0.65 2f9iA1 GLU 214 H -0.04 0.54 0.23 -0.55 8.60 8.78 2f9iA1 GLU 214 HA -0.17 0.02 0.15 -0.75 4.29 3.54 2f9iA1 GLU 214 HB2 -0.02 -0.00 0.05 -0.04 2.09 2.08 2f9iA1 GLU 214 HB3 -0.05 0.07 -0.06 -0.04 1.99 1.91 2f9iA1 GLU 214 HG2 0.00 -0.06 0.16 -0.04 2.34 2.41 2f9iA1 GLU 214 HG3 0.03 0.03 -0.14 -0.04 2.34 2.21 2f9iA1 ASN 215 H 0.00 0.02 -0.36 -0.55 8.53 7.65 2f9iA1 ASN 215 HA 0.01 0.16 0.94 -0.75 4.76 5.12 2f9iA1 ASN 215 HB2 0.05 -0.02 -0.02 -0.04 2.88 2.85 2f9iA1 ASN 215 HB3 0.04 0.06 0.15 -0.04 2.79 2.99 2f9iA1 ASN 215 HD21 0.09 0.06 -0.07 -0.04 7.03 7.07 2f9iA1 ASN 215 HD22 0.08 -0.09 -0.01 -0.04 7.74 7.68 2f9iA1 SER 216 H -0.01 0.42 -0.19 -0.55 8.46 8.14 2f9iA1 SER 216 HA 0.01 0.14 0.55 -0.75 4.49 4.43 2f9iA1 SER 216 HB2 -0.01 0.06 0.15 -0.04 3.95 4.10 2f9iA1 SER 216 HB3 -0.01 0.03 -0.04 -0.04 3.93 3.87 2f9iA1 THR 217 H 0.02 0.29 0.26 -0.55 8.28 8.30 2f9iA1 THR 217 HA 0.07 0.37 0.89 -0.75 4.39 4.96 2f9iA1 THR 217 HB 0.09 -0.01 0.06 -0.04 4.32 4.41 2f9iA1 THR 217 HG23 0.02 0.01 -0.25 -0.04 1.22 0.96 2f9iA1 TYR 218 H 0.17 0.51 0.11 -0.55 8.29 8.52 2f9iA1 TYR 218 HA 0.05 0.06 0.63 -0.75 4.56 4.55 2f9iA1 TYR 218 HB2 0.03 0.00 -0.27 -0.04 3.06 2.79 2f9iA1 TYR 218 HB3 0.04 0.04 0.06 -0.04 2.98 3.07 2f9iA1 TYR 218 HD2 0.04 0.05 -0.01 -0.04 7.15 7.18 2f9iA1 TYR 218 HE2 0.06 0.02 -0.16 -0.04 6.85 6.72 2f9iA1 SER 219 H 0.27 0.57 0.27 -0.55 8.46 9.03 2f9iA1 SER 219 HA 0.07 0.27 0.90 -0.75 4.49 4.97 2f9iA1 SER 219 HB2 0.11 -0.03 -0.14 -0.04 3.95 3.85 2f9iA1 SER 219 HB3 0.11 -0.05 -0.06 -0.04 3.93 3.89 2f9iA1 VAL 220 H 0.03 0.25 0.16 -0.55 8.24 8.13 2f9iA1 VAL 220 HA 0.02 0.04 0.52 -0.75 4.13 3.95 2f9iA1 VAL 220 HB -0.01 0.09 0.10 -0.04 2.12 2.26 2f9iA1 VAL 220 HG13 0.01 0.00 -0.06 -0.04 0.97 0.88 2f9iA1 VAL 220 HG23 -0.00 -0.00 0.06 -0.04 0.95 0.96 2f9iA1 ILE 221 H 0.06 0.20 -0.13 -0.55 8.25 7.83 2f9iA1 ILE 221 HA 0.05 0.13 0.49 -0.75 4.18 4.09 2f9iA1 ILE 221 HB 0.03 0.14 -0.21 -0.04 1.89 1.80 2f9iA1 ILE 221 HG12 0.05 -0.09 0.07 -0.04 1.49 1.48 2f9iA1 ILE 221 HG13 0.03 0.05 0.11 -0.04 1.21 1.36 2f9iA1 ILE 221 HG23 0.05 0.01 -0.19 -0.04 0.93 0.76 2f9iA1 ILE 221 HD13 0.02 0.01 -0.16 -0.04 0.88 0.71 2f9iA1 SER 222 H 0.06 0.14 0.12 -0.55 8.46 8.23 2f9iA1 SER 222 HA 0.10 0.22 0.49 -0.75 4.49 4.54 2f9iA1 SER 222 HB2 0.09 0.08 0.13 -0.04 3.95 4.21 2f9iA1 SER 222 HB3 0.06 0.17 0.14 -0.04 3.93 4.26 2f9iA1 PRO 223 HA 0.16 0.11 0.41 -0.51 4.44 4.61 2f9iA1 PRO 223 HB2 0.35 -0.02 0.03 -0.04 2.28 2.59 2f9iA1 PRO 223 HB3 0.25 0.20 0.11 -0.04 2.02 2.54 2f9iA1 PRO 223 HG2 0.38 0.07 0.05 -0.04 2.03 2.49 2f9iA1 PRO 223 HG3 0.25 0.08 0.08 -0.04 2.03 2.40 2f9iA1 PRO 223 HD2 0.17 0.09 0.21 -0.04 3.68 4.11 2f9iA1 PRO 223 HD3 0.14 0.23 0.22 -0.04 3.65 4.20 2f9iA1 GLU 224 H 0.14 0.15 -0.21 -0.55 8.60 8.13 2f9iA1 GLU 224 HA 0.08 0.13 0.44 -0.75 4.29 4.18 2f9iA1 GLU 224 HB2 0.08 -0.02 0.04 -0.04 2.09 2.15 2f9iA1 GLU 224 HB3 0.07 0.04 -0.02 -0.04 1.99 2.03 2f9iA1 GLU 224 HG2 0.10 0.08 0.01 -0.04 2.34 2.48 2f9iA1 GLU 224 HG3 0.11 0.05 0.04 -0.04 2.34 2.50 2f9iA1 GLY 225 H 0.08 0.03 -0.25 -0.55 8.43 7.75 2f9iA1 GLY 225 HA2 0.05 0.09 0.44 -0.51 4.01 4.07 2f9iA1 GLY 225 HA3 0.05 0.04 0.26 -0.51 4.01 3.85 2f9iA1 ALA 226 H 0.10 0.59 -0.15 -0.55 8.40 8.39 2f9iA1 ALA 226 HA 0.05 0.06 0.37 -0.75 4.34 4.06 2f9iA1 ALA 226 HB3 0.13 0.03 0.00 -0.04 1.41 1.53 2f9iA1 ALA 227 H 0.18 0.47 -0.31 -0.55 8.40 8.20 2f9iA1 ALA 227 HA 0.77 -0.00 0.28 -0.75 4.34 4.63 2f9iA1 ALA 227 HB3 0.09 0.06 -0.13 -0.04 1.41 1.39 2f9iA1 ALA 228 H 0.10 0.56 -0.23 -0.55 8.40 8.29 2f9iA1 ALA 228 HA 0.08 -0.09 0.20 -0.75 4.34 3.78 2f9iA1 ALA 228 HB3 0.04 0.02 0.04 -0.04 1.41 1.47 2f9iA1 LEU 229 H 0.05 0.37 -0.34 -0.55 8.37 7.91 2f9iA1 LEU 229 HA -0.01 0.13 0.61 -0.75 4.35 4.33 2f9iA1 LEU 229 HB2 -0.02 0.02 0.12 -0.04 1.64 1.71 2f9iA1 LEU 229 HB3 -0.04 -0.01 -0.03 -0.04 1.64 1.52 2f9iA1 LEU 229 HG 0.01 0.05 -0.03 -0.04 1.64 1.63 2f9iA1 LEU 229 HD13 -0.01 -0.03 -0.09 -0.04 0.93 0.77 2f9iA1 LEU 229 HD23 -0.01 -0.00 -0.05 -0.04 0.89 0.79 2f9iA1 LEU 230 H -0.07 0.75 0.14 -0.55 8.37 8.65 2f9iA1 LEU 230 HA -0.28 0.12 0.56 -0.75 4.35 4.00 2f9iA1 LEU 230 HB2 -0.69 0.06 0.10 -0.04 1.64 1.07 2f9iA1 LEU 230 HB3 -1.23 -0.01 -0.03 -0.04 1.64 0.33 2f9iA1 LEU 230 HG -0.36 0.03 0.03 -0.04 1.64 1.29 2f9iA1 LEU 230 HD13 -0.13 -0.01 -0.07 -0.04 0.93 0.68 2f9iA1 LEU 230 HD23 -0.31 -0.01 -0.02 -0.04 0.89 0.50 2f9iA1 TRP 231 H 0.19 0.28 -0.01 -0.55 7.97 7.88 2f9iA1 TRP 231 HA -0.01 0.22 0.79 -0.75 4.62 4.86 2f9iA1 TRP 231 HB2 -0.03 0.06 0.11 -0.04 3.23 3.33 2f9iA1 TRP 231 HB3 -0.02 -0.03 0.16 -0.04 3.23 3.29 2f9iA1 TRP 231 HD1 -0.02 0.02 0.00 -0.04 7.22 7.19 2f9iA1 TRP 231 HE1 -0.02 0.02 -0.04 -0.04 10.20 10.11 2f9iA1 TRP 231 HE3 -0.03 -0.01 0.01 -0.04 7.59 7.52 2f9iA1 TRP 231 HZ2 -0.02 0.04 -0.08 -0.04 7.44 7.34 2f9iA1 TRP 231 HZ3 -0.02 -0.08 -0.14 -0.04 7.13 6.85 2f9iA1 TRP 231 HH2 -0.02 0.04 -0.12 -0.04 7.19 7.06 2f9iA1 LYS 232 H 0.08 0.13 -0.57 -0.55 8.42 7.50 2f9iA1 LYS 232 HA 0.06 0.43 0.34 -0.75 4.32 4.39 2f9iA1 LYS 232 HB2 0.05 0.01 0.07 -0.04 1.87 1.96 2f9iA1 LYS 232 HB3 0.03 -0.04 0.14 -0.04 1.79 1.88 2f9iA1 LYS 232 HG2 0.01 0.09 -0.12 -0.04 1.46 1.39 2f9iA1 LYS 232 HG3 0.03 -0.13 -0.70 -0.04 1.46 0.63 2f9iA1 LYS 232 HD2 0.02 -0.05 -0.05 -0.04 1.69 1.56 2f9iA1 LYS 232 HD3 0.00 0.00 -0.08 -0.04 1.68 1.56 2f9iA1 LYS 232 HE2 0.04 0.00 -0.10 -0.04 2.99 2.89 2f9iA1 LYS 232 HE3 0.07 0.15 -0.19 -0.04 2.99 2.97 2f9iA1 ASP 233 H 0.18 0.32 -0.65 -0.55 8.40 7.70 2f9iA1 ASP 233 HA 0.04 0.14 0.90 -0.75 4.63 4.95 2f9iA1 ASP 233 HB2 0.04 0.17 -0.10 -0.04 2.71 2.78 2f9iA1 ASP 233 HB3 0.04 -0.01 0.04 -0.04 2.70 2.72 2f9iA1 SER 234 H 0.03 0.29 0.01 -0.55 8.46 8.24 2f9iA1 SER 234 HA 0.05 0.08 0.26 -0.75 4.49 4.12 2f9iA1 SER 234 HB2 0.03 0.08 0.08 -0.04 3.95 4.10 2f9iA1 SER 234 HB3 0.02 0.02 0.07 -0.04 3.93 4.00 2f9iA1 ASN 235 H -0.02 0.12 -0.39 -0.55 8.53 7.69 2f9iA1 ASN 235 HA -0.06 0.09 0.42 -0.75 4.76 4.45 2f9iA1 ASN 235 HB2 -0.06 0.05 -0.04 -0.04 2.88 2.79 2f9iA1 ASN 235 HB3 -0.07 0.03 0.09 -0.04 2.79 2.80 2f9iA1 ASN 235 HD21 -0.01 0.04 0.01 -0.04 7.03 7.03 2f9iA1 ASN 235 HD22 -0.02 0.05 -0.00 -0.04 7.74 7.72 2f9iA1 LEU 236 H -0.11 0.53 -0.45 -0.55 8.37 7.80 2f9iA1 LEU 236 HA -0.33 0.13 0.78 -0.75 4.35 4.18 2f9iA1 LEU 236 HB2 -0.34 0.16 0.11 -0.04 1.64 1.53 2f9iA1 LEU 236 HB3 -0.71 -0.09 0.19 -0.04 1.64 0.98 2f9iA1 LEU 236 HG -0.18 -0.04 -0.10 -0.04 1.64 1.28 2f9iA1 LEU 236 HD13 -0.38 0.03 0.02 -0.04 0.93 0.55 2f9iA1 LEU 236 HD23 -0.26 0.02 -0.08 -0.04 0.89 0.52 2f9iA1 ALA 237 H -0.21 0.34 -0.47 -0.55 8.40 7.52 2f9iA1 ALA 237 HA -0.08 0.18 0.26 -0.75 4.34 3.95 2f9iA1 ALA 237 HB3 -0.10 0.03 -0.04 -0.04 1.41 1.25 2f9iA1 LYS 238 H -0.75 0.21 -0.25 -0.55 8.42 7.07 2f9iA1 LYS 238 HA -1.13 0.03 0.32 -0.75 4.32 2.79 2f9iA1 LYS 238 HB2 -1.41 0.04 0.08 -0.04 1.87 0.54 2f9iA1 LYS 238 HB3 -0.59 0.04 0.08 -0.04 1.79 1.27 2f9iA1 LYS 238 HG2 -0.29 0.04 -0.21 -0.04 1.46 0.96 2f9iA1 LYS 238 HG3 -0.42 -0.09 0.04 -0.04 1.46 0.94 2f9iA1 LYS 238 HD2 -0.38 0.01 0.00 -0.04 1.69 1.28 2f9iA1 LYS 238 HD3 -0.26 0.06 -0.01 -0.04 1.68 1.42 2f9iA1 LYS 238 HE2 0.05 -0.12 -0.01 -0.04 2.99 2.88 2f9iA1 LYS 238 HE3 -0.02 0.05 -0.01 -0.04 2.99 2.97 2f9iA1 ILE 239 H -0.43 0.17 -0.16 -0.55 8.25 7.28 2f9iA1 ILE 239 HA -0.18 0.06 0.53 -0.75 4.18 3.83 2f9iA1 ILE 239 HB -0.69 0.09 0.11 -0.04 1.89 1.36 2f9iA1 ILE 239 HG12 -0.22 0.01 0.01 -0.04 1.49 1.26 2f9iA1 ILE 239 HG13 -0.33 -0.10 0.03 -0.04 1.21 0.78 2f9iA1 ILE 239 HG23 -0.31 0.02 -0.08 -0.04 0.93 0.52 2f9iA1 ILE 239 HD13 -0.27 0.02 0.01 -0.04 0.88 0.60 2f9iA1 ALA 240 H -0.31 0.52 -0.09 -0.55 8.40 7.97 2f9iA1 ALA 240 HA 0.42 0.06 0.45 -0.75 4.34 4.52 2f9iA1 ALA 240 HB3 0.25 0.01 0.10 -0.04 1.41 1.72 2f9iA1 ALA 241 H 0.01 0.64 -0.13 -0.55 8.40 8.38 2f9iA1 ALA 241 HA 0.16 0.02 0.39 -0.75 4.34 4.15 2f9iA1 ALA 241 HB3 0.33 0.01 0.07 -0.04 1.41 1.77 2f9iA1 GLU 242 H 0.03 0.43 -0.09 -0.55 8.60 8.42 2f9iA1 GLU 242 HA 0.08 -0.05 0.43 -0.75 4.29 4.00 2f9iA1 GLU 242 HB2 -0.00 0.07 0.14 -0.04 2.09 2.26 2f9iA1 GLU 242 HB3 0.03 0.01 0.08 -0.04 1.99 2.06 2f9iA1 GLU 242 HG2 0.06 -0.12 0.09 -0.04 2.34 2.32 2f9iA1 GLU 242 HG3 0.03 0.25 0.16 -0.04 2.34 2.74 2f9iA1 THR 243 H 0.08 0.64 -0.12 -0.55 8.28 8.34 2f9iA1 THR 243 HA 0.08 0.05 0.50 -0.75 4.39 4.28 2f9iA1 THR 243 HB 0.28 0.00 0.12 -0.04 4.32 4.68 2f9iA1 THR 243 HG23 0.16 -0.01 -0.02 -0.04 1.22 1.31 2f9iA1 MET 244 H 0.12 0.54 -0.05 -0.55 8.47 8.53 2f9iA1 MET 244 HA 0.06 0.08 0.52 -0.75 4.52 4.44 2f9iA1 MET 244 HB2 0.10 0.01 0.08 -0.04 2.15 2.31 2f9iA1 MET 244 HB3 0.07 -0.04 0.02 -0.04 2.03 2.04 2f9iA1 MET 244 HG2 0.06 0.02 0.02 -0.04 2.63 2.68 2f9iA1 MET 244 HG3 0.12 0.06 0.05 -0.04 2.56 2.75 2f9iA1 MET 244 HE3 0.12 0.00 -0.24 -0.04 2.10 1.94 2f9iA1 LYS 245 H 0.08 0.21 -0.43 -0.55 8.42 7.73 2f9iA1 LYS 245 HA 0.07 -0.08 0.38 -0.75 4.32 3.93 2f9iA1 LYS 245 HB2 0.04 0.27 0.17 -0.04 1.87 2.30 2f9iA1 LYS 245 HB3 0.04 -0.13 0.16 -0.04 1.79 1.82 2f9iA1 LYS 245 HG2 0.05 -0.03 0.05 -0.04 1.46 1.49 2f9iA1 LYS 245 HG3 0.05 0.19 -0.30 -0.04 1.46 1.36 2f9iA1 LYS 245 HD2 0.03 0.04 -0.02 -0.04 1.69 1.69 2f9iA1 LYS 245 HD3 0.03 -0.07 0.02 -0.04 1.68 1.61 2f9iA1 LYS 245 HE2 0.03 0.06 0.02 -0.04 2.99 3.06 2f9iA1 LYS 245 HE3 0.02 -0.04 0.01 -0.04 2.99 2.94 2f9iA1 ILE 246 H 0.09 0.14 0.10 -0.55 8.25 8.03 2f9iA1 ILE 246 HA 0.08 0.41 0.73 -0.75 4.18 4.65 2f9iA1 ILE 246 HB 0.11 -0.13 0.02 -0.04 1.89 1.85 2f9iA1 ILE 246 HG12 0.13 0.07 0.04 -0.04 1.49 1.69 2f9iA1 ILE 246 HG13 0.10 0.02 -0.25 -0.04 1.21 1.04 2f9iA1 ILE 246 HG23 0.10 0.02 -0.11 -0.04 0.93 0.91 2f9iA1 ILE 246 HD13 0.15 -0.03 -0.03 -0.04 0.88 0.93 2f9iA1 THR 247 H 0.07 0.01 -0.09 -0.55 8.28 7.72 2f9iA1 THR 247 HA 0.05 0.27 0.55 -0.75 4.39 4.51 2f9iA1 THR 247 HB 0.06 0.09 0.12 -0.04 4.32 4.54 2f9iA1 THR 247 HG23 0.06 0.01 0.04 -0.04 1.22 1.29 2f9iA1 ALA 248 H -0.01 0.37 0.13 -0.55 8.40 8.35 2f9iA1 ALA 248 HA 0.01 0.08 0.25 -0.75 4.34 3.92 2f9iA1 ALA 248 HB3 -0.14 0.06 -0.05 -0.04 1.41 1.24 2f9iA1 HIS 249 H -0.04 0.12 -0.12 -0.55 8.41 7.82 2f9iA1 HIS 249 HA 0.02 0.10 0.48 -0.75 4.63 4.47 2f9iA1 HIS 249 HB2 0.02 -0.04 0.05 -0.04 3.26 3.25 2f9iA1 HIS 249 HB3 0.01 0.06 0.00 -0.04 3.20 3.23 2f9iA1 HIS 249 HD2 0.01 0.02 0.02 -0.04 6.97 6.97 2f9iA1 HIS 249 HE1 0.00 0.03 -0.03 -0.04 7.75 7.71 2f9iA1 ASP 250 H 0.10 0.02 -0.32 -0.55 8.40 7.65 2f9iA1 ASP 250 HA 0.06 0.05 0.43 -0.75 4.63 4.40 2f9iA1 ASP 250 HB2 0.06 0.16 -0.02 -0.04 2.71 2.88 2f9iA1 ASP 250 HB3 0.05 0.16 -0.00 -0.04 2.70 2.86 2f9iA1 ILE 251 H 0.05 0.45 -0.17 -0.55 8.25 8.03 2f9iA1 ILE 251 HA 0.02 0.08 0.28 -0.75 4.18 3.80 2f9iA1 ILE 251 HB 0.06 0.04 -0.05 -0.04 1.89 1.90 2f9iA1 ILE 251 HG12 0.08 0.18 -0.20 -0.04 1.49 1.51 2f9iA1 ILE 251 HG13 0.15 -0.06 -0.14 -0.04 1.21 1.12 2f9iA1 ILE 251 HG23 0.04 -0.03 -0.14 -0.04 0.93 0.76 2f9iA1 ILE 251 HD13 0.04 -0.00 -0.00 -0.04 0.88 0.87 2f9iA1 LYS 252 H 0.03 0.48 -0.26 -0.55 8.42 8.12 2f9iA1 LYS 252 HA 0.02 0.06 0.42 -0.75 4.32 4.07 2f9iA1 LYS 252 HB2 0.02 0.05 0.01 -0.04 1.87 1.91 2f9iA1 LYS 252 HB3 0.06 0.04 0.03 -0.04 1.79 1.88 2f9iA1 LYS 252 HG2 0.02 0.18 -0.14 -0.04 1.46 1.48 2f9iA1 LYS 252 HG3 0.02 -0.17 -0.21 -0.04 1.46 1.06 2f9iA1 LYS 252 HD2 0.06 -0.04 -0.11 -0.04 1.69 1.56 2f9iA1 LYS 252 HD3 0.03 0.05 -0.14 -0.04 1.68 1.57 2f9iA1 LYS 252 HE2 0.03 -0.13 -0.05 -0.04 2.99 2.80 2f9iA1 LYS 252 HE3 0.03 -0.03 -0.03 -0.04 2.99 2.92 2f9iA1 GLN 253 H 0.05 0.50 -0.16 -0.55 8.47 8.31 2f9iA1 GLN 253 HA 0.02 -0.02 0.40 -0.75 4.36 4.01 2f9iA1 GLN 253 HB2 0.03 0.21 0.19 -0.04 2.15 2.54 2f9iA1 GLN 253 HB3 0.02 -0.08 0.06 -0.04 2.02 1.98 2f9iA1 GLN 253 HG2 0.06 0.53 0.13 -0.04 2.40 3.09 2f9iA1 GLN 253 HG3 0.03 -0.13 -0.01 -0.04 2.39 2.25 2f9iA1 GLN 253 HE21 0.04 0.03 -0.08 -0.04 6.97 6.91 2f9iA1 GLN 253 HE22 0.08 -0.03 -0.02 -0.04 7.69 7.68 2f9iA1 LEU 254 H 0.01 0.34 -0.34 -0.55 8.37 7.84 2f9iA1 LEU 254 HA -0.01 0.07 0.61 -0.75 4.35 4.26 2f9iA1 LEU 254 HB2 -0.01 0.05 0.11 -0.04 1.64 1.75 2f9iA1 LEU 254 HB3 -0.02 -0.04 0.14 -0.04 1.64 1.68 2f9iA1 LEU 254 HG 0.01 0.11 0.01 -0.04 1.64 1.72 2f9iA1 LEU 254 HD13 -0.00 -0.02 -0.02 -0.04 0.93 0.85 2f9iA1 LEU 254 HD23 -0.00 -0.01 -0.01 -0.04 0.89 0.82 2f9iA1 GLY 255 H -0.00 0.50 -0.41 -0.55 8.43 7.96 2f9iA1 GLY 255 HA2 -0.02 0.08 0.35 -0.51 4.01 3.91 2f9iA1 GLY 255 HA3 -0.03 0.03 0.47 -0.51 4.01 3.97 2f9iA1 ILE 256 H -0.02 0.26 -0.13 -0.55 8.25 7.81 2f9iA1 ILE 256 HA -0.08 0.17 0.42 -0.75 4.18 3.94 2f9iA1 ILE 256 HB -0.02 -0.03 0.00 -0.04 1.89 1.80 2f9iA1 ILE 256 HG12 -0.03 0.02 -0.14 -0.04 1.49 1.29 2f9iA1 ILE 256 HG13 -0.05 -0.09 -0.03 -0.04 1.21 1.01 2f9iA1 ILE 256 HG23 -0.08 -0.02 -0.11 -0.04 0.93 0.68 2f9iA1 ILE 256 HD13 -0.06 0.01 -0.08 -0.04 0.88 0.72 2f9iA1 ILE 257 H 0.00 0.11 -0.13 -0.55 8.25 7.68 2f9iA1 ILE 257 HA 0.02 0.20 0.77 -0.75 4.18 4.42 2f9iA1 ILE 257 HB 0.05 0.07 -0.04 -0.04 1.89 1.92 2f9iA1 ILE 257 HG12 0.04 -0.07 -0.43 -0.04 1.49 0.98 2f9iA1 ILE 257 HG13 0.02 0.01 -0.34 -0.04 1.21 0.86 2f9iA1 ILE 257 HG23 0.13 -0.02 -0.28 -0.04 0.93 0.72 2f9iA1 ILE 257 HD13 0.02 0.04 -0.18 -0.04 0.88 0.72 2f9iA1 ASP 258 H 0.02 0.76 0.35 -0.55 8.40 8.99 2f9iA1 ASP 258 HA 0.00 0.20 0.63 -0.75 4.63 4.71 2f9iA1 ASP 258 HB2 0.02 -0.01 0.08 -0.04 2.71 2.76 2f9iA1 ASP 258 HB3 0.01 -0.02 0.09 -0.04 2.70 2.74 2f9iA1 ASP 259 H 0.01 0.22 0.13 -0.55 8.40 8.21 2f9iA1 ASP 259 HA 0.01 0.06 0.43 -0.75 4.63 4.38 2f9iA1 ASP 259 HB2 0.02 0.22 -0.34 -0.04 2.71 2.56 2f9iA1 ASP 259 HB3 0.01 -0.09 -0.15 -0.04 2.70 2.43 2f9iA1 VAL 260 H -0.00 0.22 0.12 -0.55 8.24 8.03 2f9iA1 VAL 260 HA -0.07 0.27 0.92 -0.75 4.13 4.49 2f9iA1 VAL 260 HB -0.06 -0.01 0.06 -0.04 2.12 2.07 2f9iA1 VAL 260 HG13 -0.39 -0.00 -0.23 -0.04 0.97 0.30 2f9iA1 VAL 260 HG23 -0.14 -0.01 -0.26 -0.04 0.95 0.50 2f9iA1 ILE 261 H -0.07 0.72 0.31 -0.55 8.25 8.66 2f9iA1 ILE 261 HA -0.05 0.16 0.79 -0.75 4.18 4.33 2f9iA1 ILE 261 HB -0.09 -0.11 0.05 -0.04 1.89 1.69 2f9iA1 ILE 261 HG12 -0.07 0.02 -0.16 -0.04 1.49 1.24 2f9iA1 ILE 261 HG13 -0.13 -0.02 -0.16 -0.04 1.21 0.86 2f9iA1 ILE 261 HG23 -0.12 0.06 -0.16 -0.04 0.93 0.67 2f9iA1 ILE 261 HD13 -0.07 0.04 -0.18 -0.04 0.88 0.62 2f9iA1 SER 262 H -0.03 0.17 0.15 -0.55 8.46 8.20 2f9iA1 SER 262 HA -0.00 -0.03 0.47 -0.75 4.49 4.17 2f9iA1 SER 262 HB2 0.01 0.10 0.07 -0.04 3.95 4.09 2f9iA1 SER 262 HB3 0.03 0.02 0.08 -0.04 3.93 4.02 2f9iA1 GLU 263 H 0.00 0.10 0.20 -0.55 8.60 8.36 2f9iA1 GLU 263 HA -0.03 0.21 0.82 -0.75 4.29 4.53 2f9iA1 GLU 263 HB2 0.02 -0.00 0.07 -0.04 2.09 2.13 2f9iA1 GLU 263 HB3 0.00 -0.02 -0.04 -0.04 1.99 1.90 2f9iA1 GLU 263 HG2 0.01 0.10 0.06 -0.04 2.34 2.46 2f9iA1 GLU 263 HG3 -0.01 -0.05 -0.01 -0.04 2.34 2.23 2f9iA1 PRO 264 HA -0.05 0.07 0.42 -0.51 4.44 4.38 2f9iA1 PRO 264 HB2 -0.11 0.16 -0.18 -0.04 2.28 2.10 2f9iA1 PRO 264 HB3 -0.07 0.02 0.02 -0.04 2.02 1.95 2f9iA1 PRO 264 HG2 -0.09 0.12 -0.15 -0.04 2.03 1.87 2f9iA1 PRO 264 HG3 -0.07 0.08 0.04 -0.04 2.03 2.04 2f9iA1 PRO 264 HD2 -0.03 -0.01 0.10 -0.04 3.68 3.70 2f9iA1 PRO 264 HD3 -0.05 0.18 0.04 -0.04 3.65 3.78 2f9iA1 LEU 265 H -0.06 0.10 0.11 -0.55 8.37 7.97 2f9iA1 LEU 265 HA -0.05 0.09 0.43 -0.75 4.35 4.06 2f9iA1 LEU 265 HB2 -0.03 0.02 0.12 -0.04 1.64 1.71 2f9iA1 LEU 265 HB3 -0.08 -0.01 0.09 -0.04 1.64 1.60 2f9iA1 LEU 265 HG -0.09 0.00 -0.16 -0.04 1.64 1.36 2f9iA1 LEU 265 HD13 0.09 0.02 -0.03 -0.04 0.93 0.97 2f9iA1 LEU 265 HD23 0.00 -0.01 -0.06 -0.04 0.89 0.78 2f9iA1 GLY 266 H -0.29 0.17 0.16 -0.55 8.43 7.93 2f9iA1 GLY 266 HA2 -1.64 -0.03 0.34 -0.51 4.01 2.17 2f9iA1 GLY 266 HA3 -0.55 0.15 0.63 -0.51 4.01 3.72 2f9iA1 GLY 267 H -0.16 0.60 -0.39 -0.55 8.43 7.93 2f9iA1 GLY 267 HA2 0.05 -0.01 0.27 -0.51 4.01 3.81 2f9iA1 GLY 267 HA3 0.14 0.19 0.79 -0.51 4.01 4.62 2f9iA1 ALA 268 H 0.10 0.19 0.12 -0.55 8.40 8.27 2f9iA1 ALA 268 HA 0.01 0.05 0.33 -0.75 4.34 3.98 2f9iA1 ALA 268 HB3 0.15 0.04 0.11 -0.04 1.41 1.67 2f9iA1 HIS 269 H 0.32 0.10 -0.37 -0.55 8.41 7.91 2f9iA1 HIS 269 HA -0.02 0.08 0.41 -0.75 4.63 4.34 2f9iA1 HIS 269 HB2 -0.01 0.02 -0.00 -0.04 3.26 3.23 2f9iA1 HIS 269 HB3 -0.00 0.10 -0.08 -0.04 3.20 3.17 2f9iA1 HIS 269 HD2 -0.01 -0.03 -0.19 -0.04 6.97 6.70 2f9iA1 HIS 269 HE1 0.03 0.19 0.10 -0.04 7.75 8.02 2f9iA1 LYS 270 H -0.41 0.58 -0.39 -0.55 8.42 7.65 2f9iA1 LYS 270 HA -0.19 0.08 0.50 -0.75 4.32 3.95 2f9iA1 LYS 270 HB2 -0.24 0.09 -0.08 -0.04 1.87 1.60 2f9iA1 LYS 270 HB3 -0.18 -0.05 -0.00 -0.04 1.79 1.51 2f9iA1 LYS 270 HG2 -0.73 -0.02 -0.24 -0.04 1.46 0.43 2f9iA1 LYS 270 HG3 -0.33 0.15 0.01 -0.04 1.46 1.25 2f9iA1 LYS 270 HD2 -0.17 -0.02 0.00 -0.04 1.69 1.46 2f9iA1 LYS 270 HD3 -0.29 -0.03 -0.15 -0.04 1.68 1.17 2f9iA1 LYS 270 HE2 -0.17 0.04 -0.07 -0.04 2.99 2.75 2f9iA1 LYS 270 HE3 -0.21 0.01 -0.01 -0.04 2.99 2.74 2f9iA1 ASP 271 H -0.09 0.34 -0.34 -0.55 8.40 7.76 2f9iA1 ASP 271 HA -0.07 0.10 0.53 -0.75 4.63 4.44 2f9iA1 ASP 271 HB2 -0.08 0.15 -0.24 -0.04 2.71 2.50 2f9iA1 ASP 271 HB3 -0.08 -0.04 0.13 -0.04 2.70 2.67 2f9iA1 ILE 272 H -0.07 0.26 0.02 -0.55 8.25 7.91 2f9iA1 ILE 272 HA 0.00 0.13 0.40 -0.75 4.18 3.96 2f9iA1 ILE 272 HB -0.10 -0.01 0.10 -0.04 1.89 1.84 2f9iA1 ILE 272 HG12 -0.08 0.03 0.04 -0.04 1.49 1.44 2f9iA1 ILE 272 HG13 -0.04 0.04 0.09 -0.04 1.21 1.26 2f9iA1 ILE 272 HG23 -0.15 0.01 -0.12 -0.04 0.93 0.63 2f9iA1 ILE 272 HD13 -0.05 0.01 0.03 -0.04 0.88 0.83 2f9iA1 GLU 273 H -0.23 0.10 -0.17 -0.55 8.60 7.74 2f9iA1 GLU 273 HA -1.04 0.12 0.24 -0.75 4.29 2.86 2f9iA1 GLU 273 HB2 -0.29 0.03 0.07 -0.04 2.09 1.85 2f9iA1 GLU 273 HB3 -0.16 -0.04 0.05 -0.04 1.99 1.79 2f9iA1 GLU 273 HG2 -0.11 0.01 -0.24 -0.04 2.34 1.95 2f9iA1 GLU 273 HG3 -0.13 0.05 0.02 -0.04 2.34 2.23 2f9iA1 GLN 274 H -0.14 0.06 -0.21 -0.55 8.47 7.64 2f9iA1 GLN 274 HA -0.09 0.07 0.46 -0.75 4.36 4.04 2f9iA1 GLN 274 HB2 -0.07 -0.01 0.08 -0.04 2.15 2.11 2f9iA1 GLN 274 HB3 -0.08 0.08 0.14 -0.04 2.02 2.11 2f9iA1 GLN 274 HG2 -0.06 -0.02 -0.03 -0.04 2.40 2.24 2f9iA1 GLN 274 HG3 -0.07 0.04 -0.29 -0.04 2.39 2.03 2f9iA1 GLN 274 HE21 -0.06 0.01 -0.02 -0.04 6.97 6.87 2f9iA1 GLN 274 HE22 -0.06 0.02 -0.12 -0.04 7.69 7.49 2f9iA1 GLN 275 H -0.08 0.65 -0.06 -0.55 8.47 8.44 2f9iA1 GLN 275 HA -0.09 0.04 0.45 -0.75 4.36 4.01 2f9iA1 GLN 275 HB2 0.02 0.04 0.16 -0.04 2.15 2.33 2f9iA1 GLN 275 HB3 0.16 0.10 0.18 -0.04 2.02 2.42 2f9iA1 GLN 275 HG2 0.15 -0.03 0.03 -0.04 2.40 2.50 2f9iA1 GLN 275 HG3 -0.25 -0.01 -0.15 -0.04 2.39 1.94 2f9iA1 GLN 275 HE21 -0.09 0.33 0.04 -0.04 6.97 7.21 2f9iA1 GLN 275 HE22 -0.16 -0.11 0.10 -0.04 7.69 7.48 2f9iA1 ALA 276 H -0.10 0.66 -0.09 -0.55 8.40 8.33 2f9iA1 ALA 276 HA -0.21 -0.04 0.29 -0.75 4.34 3.63 2f9iA1 ALA 276 HB3 -0.01 0.03 0.07 -0.04 1.41 1.46 2f9iA1 LEU 277 H -0.13 0.47 -0.23 -0.55 8.37 7.93 2f9iA1 LEU 277 HA -0.10 0.06 0.40 -0.75 4.35 3.96 2f9iA1 LEU 277 HB2 -0.08 0.07 0.13 -0.04 1.64 1.72 2f9iA1 LEU 277 HB3 -0.06 -0.05 0.05 -0.04 1.64 1.54 2f9iA1 LEU 277 HG -0.09 0.34 0.13 -0.04 1.64 1.99 2f9iA1 LEU 277 HD13 -0.04 -0.04 -0.02 -0.04 0.93 0.79 2f9iA1 LEU 277 HD23 -0.01 -0.03 -0.03 -0.04 0.89 0.79 2f9iA1 ALA 278 H -0.13 0.48 -0.19 -0.55 8.40 8.01 2f9iA1 ALA 278 HA -0.10 0.01 0.54 -0.75 4.34 4.03 2f9iA1 ALA 278 HB3 -0.11 0.03 0.11 -0.04 1.41 1.40 2f9iA1 ILE 279 H -0.26 0.56 -0.07 -0.55 8.25 7.92 2f9iA1 ILE 279 HA -0.43 -0.01 0.45 -0.75 4.18 3.44 2f9iA1 ILE 279 HB -0.44 0.14 0.11 -0.04 1.89 1.65 2f9iA1 ILE 279 HG12 -0.40 -0.06 -0.07 -0.04 1.49 0.93 2f9iA1 ILE 279 HG13 -0.37 0.18 -0.01 -0.04 1.21 0.97 2f9iA1 ILE 279 HG23 -1.08 -0.02 -0.19 -0.04 0.93 -0.40 2f9iA1 ILE 279 HD13 -0.75 -0.03 -0.13 -0.04 0.88 -0.07 2f9iA1 LYS 280 H -0.29 0.81 -0.03 -0.55 8.42 8.36 2f9iA1 LYS 280 HA -0.33 -0.01 0.30 -0.75 4.32 3.53 2f9iA1 LYS 280 HB2 -0.20 0.04 0.08 -0.04 1.87 1.75 2f9iA1 LYS 280 HB3 -0.14 0.06 0.15 -0.04 1.79 1.82 2f9iA1 LYS 280 HG2 -0.09 -0.05 -0.20 -0.04 1.46 1.08 2f9iA1 LYS 280 HG3 -0.18 -0.02 0.06 -0.04 1.46 1.29 2f9iA1 LYS 280 HD2 -0.10 0.14 0.13 -0.04 1.69 1.81 2f9iA1 LYS 280 HD3 -0.06 -0.05 0.02 -0.04 1.68 1.54 2f9iA1 LYS 280 HE2 -0.04 -0.07 -0.01 -0.04 2.99 2.83 2f9iA1 LYS 280 HE3 -0.09 0.06 0.08 -0.04 2.99 3.00 2f9iA1 SER 281 H -0.14 0.52 -0.27 -0.55 8.46 8.03 2f9iA1 SER 281 HA -0.04 -0.00 0.44 -0.75 4.49 4.14 2f9iA1 SER 281 HB2 -0.06 0.03 0.13 -0.04 3.95 4.01 2f9iA1 SER 281 HB3 -0.08 0.11 0.18 -0.04 3.93 4.10 2f9iA1 ALA 282 H -0.14 0.51 -0.19 -0.55 8.40 8.04 2f9iA1 ALA 282 HA 0.00 -0.01 0.42 -0.75 4.34 4.00 2f9iA1 ALA 282 HB3 -0.09 0.02 0.05 -0.04 1.41 1.35 2f9iA1 PHE 283 H -0.06 0.63 -0.16 -0.55 8.34 8.20 2f9iA1 PHE 283 HA 0.16 -0.01 0.27 -0.75 4.62 4.28 2f9iA1 PHE 283 HB2 -0.21 0.15 0.11 -0.04 3.15 3.16 2f9iA1 PHE 283 HB3 -0.31 -0.02 -0.11 -0.04 3.06 2.58 2f9iA1 PHE 283 HD2 -0.25 -0.02 -0.16 -0.04 7.28 6.80 2f9iA1 PHE 283 HE2 0.05 -0.03 -0.21 -0.04 7.38 7.14 2f9iA1 PHE 283 HZ -0.74 -0.03 -0.17 -0.04 7.32 6.34 2f9iA1 VAL 284 H 0.10 0.57 -0.15 -0.55 8.24 8.22 2f9iA1 VAL 284 HA 0.14 0.02 0.37 -0.75 4.13 3.90 2f9iA1 VAL 284 HB 0.04 0.08 0.13 -0.04 2.12 2.33 2f9iA1 VAL 284 HG13 0.05 -0.02 -0.08 -0.04 0.97 0.88 2f9iA1 VAL 284 HG23 0.03 0.08 0.02 -0.04 0.95 1.03 2f9iA1 ALA 285 H 0.07 0.52 -0.16 -0.55 8.40 8.28 2f9iA1 ALA 285 HA 0.05 -0.02 0.41 -0.75 4.34 4.02 2f9iA1 ALA 285 HB3 0.04 0.02 0.12 -0.04 1.41 1.55 2f9iA1 GLN 286 H 0.11 0.66 -0.03 -0.55 8.47 8.67 2f9iA1 GLN 286 HA 0.06 -0.01 0.30 -0.75 4.36 3.96 2f9iA1 GLN 286 HB2 0.19 0.08 0.07 -0.04 2.15 2.45 2f9iA1 GLN 286 HB3 0.09 -0.04 -0.05 -0.04 2.02 1.97 2f9iA1 GLN 286 HG2 0.11 0.19 0.04 -0.04 2.40 2.69 2f9iA1 GLN 286 HG3 0.12 -0.07 -0.13 -0.04 2.39 2.27 2f9iA1 GLN 286 HE21 0.03 0.05 -0.08 -0.04 6.97 6.93 2f9iA1 GLN 286 HE22 0.04 -0.03 -0.08 -0.04 7.69 7.58 2f9iA1 LEU 287 H 0.17 0.62 -0.23 -0.55 8.37 8.39 2f9iA1 LEU 287 HA 0.06 0.00 0.29 -0.75 4.35 3.95 2f9iA1 LEU 287 HB2 0.29 -0.00 0.05 -0.04 1.64 1.93 2f9iA1 LEU 287 HB3 0.19 0.08 0.11 -0.04 1.64 1.98 2f9iA1 LEU 287 HG 0.11 -0.02 -0.19 -0.04 1.64 1.50 2f9iA1 LEU 287 HD13 -0.00 -0.01 -0.01 -0.04 0.93 0.87 2f9iA1 LEU 287 HD23 0.30 -0.01 -0.06 -0.04 0.89 1.08 2f9iA1 ASP 288 H 0.09 0.67 -0.09 -0.55 8.40 8.52 2f9iA1 ASP 288 HA 0.06 -0.02 0.55 -0.75 4.63 4.46 2f9iA1 ASP 288 HB2 0.05 0.26 0.25 -0.04 2.71 3.23 2f9iA1 ASP 288 HB3 0.04 -0.10 -0.07 -0.04 2.70 2.53 2f9iA1 SER 289 H 0.05 0.55 -0.17 -0.55 8.46 8.34 2f9iA1 SER 289 HA 0.03 -0.03 0.47 -0.75 4.49 4.20 2f9iA1 SER 289 HB2 0.02 -0.08 0.12 -0.04 3.95 3.97 2f9iA1 SER 289 HB3 0.03 -0.01 0.08 -0.04 3.93 3.99 2f9iA1 LEU 290 H 0.03 0.44 -0.62 -0.55 8.37 7.67 2f9iA1 LEU 290 HA 0.02 0.09 0.78 -0.75 4.35 4.49 2f9iA1 LEU 290 HB2 0.01 0.17 0.08 -0.04 1.64 1.86 2f9iA1 LEU 290 HB3 0.01 -0.07 0.12 -0.04 1.64 1.66 2f9iA1 LEU 290 HG 0.02 0.15 -0.12 -0.04 1.64 1.65 2f9iA1 LEU 290 HD13 -0.02 -0.04 -0.08 -0.04 0.93 0.76 2f9iA1 LEU 290 HD23 0.01 0.01 -0.06 -0.04 0.89 0.81 2f9iA1 GLU 291 H 0.03 0.41 -0.13 -0.55 8.60 8.36 2f9iA1 GLU 291 HA 0.03 0.10 0.31 -0.75 4.29 3.98 2f9iA1 GLU 291 HB2 0.04 0.03 0.18 -0.04 2.09 2.31 2f9iA1 GLU 291 HB3 0.03 0.03 0.15 -0.04 1.99 2.15 2f9iA1 GLU 291 HG2 0.03 -0.03 -0.08 -0.04 2.34 2.22 2f9iA1 GLU 291 HG3 0.04 0.02 0.09 -0.04 2.34 2.44 2f9iA1 SER 292 H 0.02 0.13 -0.24 -0.55 8.46 7.83 2f9iA1 SER 292 HA 0.02 0.11 0.51 -0.75 4.49 4.38 2f9iA1 SER 292 HB2 0.01 -0.05 0.10 -0.04 3.95 3.97 2f9iA1 SER 292 HB3 0.02 -0.02 0.05 -0.04 3.93 3.93 2f9iA1 LEU 293 H 0.02 0.40 -0.35 -0.55 8.37 7.89 2f9iA1 LEU 293 HA 0.01 -0.05 0.59 -0.75 4.35 4.15 2f9iA1 LEU 293 HB2 0.01 0.21 0.09 -0.04 1.64 1.90 2f9iA1 LEU 293 HB3 0.01 -0.11 -0.13 -0.04 1.64 1.37 2f9iA1 LEU 293 HG 0.02 0.01 -0.01 -0.04 1.64 1.62 2f9iA1 LEU 293 HD13 0.02 0.02 -0.06 -0.04 0.93 0.87 2f9iA1 LEU 293 HD23 0.01 -0.03 -0.10 -0.04 0.89 0.73 2f9iA1 SER 294 H 0.01 0.01 0.19 -0.55 8.46 8.12 2f9iA1 SER 294 HA 0.01 0.22 0.54 -0.75 4.49 4.51 2f9iA1 SER 294 HB2 0.00 -0.02 0.22 -0.04 3.95 4.11 2f9iA1 SER 294 HB3 0.01 0.11 0.17 -0.04 3.93 4.18 2f9iA1 ARG 295 H 0.00 0.14 0.19 -0.55 8.46 8.25 2f9iA1 ARG 295 HA 0.00 0.34 0.52 -0.75 4.34 4.44 2f9iA1 ARG 295 HB2 -0.00 -0.12 0.22 -0.04 1.90 1.95 2f9iA1 ARG 295 HB3 -0.01 0.01 0.12 -0.04 1.80 1.88 2f9iA1 ARG 295 HG2 -0.00 0.44 0.22 -0.04 1.67 2.29 2f9iA1 ARG 295 HG3 0.00 -0.06 0.15 -0.04 1.67 1.73 2f9iA1 ARG 295 HD2 -0.00 0.06 0.08 -0.04 3.22 3.31 2f9iA1 ARG 295 HD3 -0.00 -0.11 0.09 -0.04 3.22 3.16 2f9iA1 ASP 296 H -0.00 0.04 -0.07 -0.55 8.40 7.82 2f9iA1 ASP 296 HA -0.00 0.20 0.48 -0.75 4.63 4.55 2f9iA1 ASP 296 HB2 -0.01 -0.05 0.09 -0.04 2.71 2.71 2f9iA1 ASP 296 HB3 -0.01 0.03 0.04 -0.04 2.70 2.71 2f9iA1 GLU 297 H 0.00 0.01 -0.28 -0.55 8.60 7.78 2f9iA1 GLU 297 HA 0.01 0.04 0.38 -0.75 4.29 3.96 2f9iA1 GLU 297 HB2 0.01 0.03 0.10 -0.04 2.09 2.19 2f9iA1 GLU 297 HB3 0.01 0.07 0.02 -0.04 1.99 2.05 2f9iA1 GLU 297 HG2 0.00 0.04 0.03 -0.04 2.34 2.37 2f9iA1 GLU 297 HG3 0.00 -0.11 0.07 -0.04 2.34 2.26 2f9iA1 ILE 298 H 0.01 0.59 -0.28 -0.55 8.25 8.01 2f9iA1 ILE 298 HA 0.02 0.01 0.45 -0.75 4.18 3.91 2f9iA1 ILE 298 HB 0.01 0.11 -0.09 -0.04 1.89 1.87 2f9iA1 ILE 298 HG12 -0.01 -0.06 -0.70 -0.04 1.49 0.69 2f9iA1 ILE 298 HG13 0.01 0.01 -0.21 -0.04 1.21 0.98 2f9iA1 ILE 298 HG23 0.00 0.11 -0.20 -0.04 0.93 0.80 2f9iA1 ILE 298 HD13 0.00 -0.02 -0.02 -0.04 0.88 0.80 2f9iA1 ALA 299 H 0.02 0.26 -0.27 -0.55 8.40 7.86 2f9iA1 ALA 299 HA 0.05 0.24 0.50 -0.75 4.34 4.37 2f9iA1 ALA 299 HB3 0.02 0.03 0.03 -0.04 1.41 1.46 2f9iA1 ASN 300 H 0.02 0.55 0.00 -0.55 8.53 8.56 2f9iA1 ASN 300 HA 0.07 -0.01 0.49 -0.75 4.76 4.56 2f9iA1 ASN 300 HB2 -0.02 -0.00 0.12 -0.04 2.88 2.93 2f9iA1 ASN 300 HB3 0.01 0.04 0.16 -0.04 2.79 2.96 2f9iA1 ASN 300 HD21 -0.09 -0.02 0.01 -0.04 7.03 6.88 2f9iA1 ASN 300 HD22 -0.17 0.01 0.05 -0.04 7.74 7.59 2f9iA1 ASP 301 H 0.05 0.66 -0.23 -0.55 8.40 8.33 2f9iA1 ASP 301 HA 0.06 -0.06 0.41 -0.75 4.63 4.29 2f9iA1 ASP 301 HB2 0.03 -0.03 0.12 -0.04 2.71 2.79 2f9iA1 ASP 301 HB3 0.04 0.26 0.16 -0.04 2.70 3.13 2f9iA1 ARG 302 H 0.10 0.40 -0.28 -0.55 8.46 8.13 2f9iA1 ARG 302 HA 0.15 0.04 0.43 -0.75 4.34 4.21 2f9iA1 ARG 302 HB2 0.10 0.07 0.15 -0.04 1.90 2.17 2f9iA1 ARG 302 HB3 0.13 0.23 0.13 -0.04 1.80 2.25 2f9iA1 ARG 302 HG2 0.25 -0.11 -0.18 -0.04 1.67 1.58 2f9iA1 ARG 302 HG3 0.24 -0.02 -0.36 -0.04 1.67 1.50 2f9iA1 ARG 302 HD2 0.03 0.15 -0.13 -0.04 3.22 3.24 2f9iA1 ARG 302 HD3 0.06 0.12 -0.43 -0.04 3.22 2.93 2f9iA1 PHE 303 H 0.25 0.55 -0.05 -0.55 8.34 8.54 2f9iA1 PHE 303 HA 0.09 -0.02 0.45 -0.75 4.62 4.40 2f9iA1 PHE 303 HB2 0.03 0.05 0.11 -0.04 3.15 3.30 2f9iA1 PHE 303 HB3 0.03 0.14 0.22 -0.04 3.06 3.41 2f9iA1 PHE 303 HD2 0.03 0.04 -0.14 -0.04 7.28 7.17 2f9iA1 PHE 303 HE2 0.02 -0.03 -0.05 -0.04 7.38 7.29 2f9iA1 PHE 303 HZ 0.02 -0.03 -0.03 -0.04 7.32 7.23 2f9iA1 GLU 304 H 0.25 0.58 -0.13 -0.55 8.60 8.75 2f9iA1 GLU 304 HA 0.15 -0.06 0.26 -0.75 4.29 3.88 2f9iA1 GLU 304 HB2 0.09 0.15 0.14 -0.04 2.09 2.43 2f9iA1 GLU 304 HB3 0.07 -0.05 0.03 -0.04 1.99 2.00 2f9iA1 GLU 304 HG2 0.24 0.11 0.07 -0.04 2.34 2.72 2f9iA1 GLU 304 HG3 0.10 -0.06 0.00 -0.04 2.34 2.35 2f9iA1 LYS 305 H 0.04 0.42 -0.30 -0.55 8.42 8.02 2f9iA1 LYS 305 HA -0.12 -0.01 0.35 -0.75 4.32 3.80 2f9iA1 LYS 305 HB2 -0.07 0.04 0.18 -0.04 1.87 1.98 2f9iA1 LYS 305 HB3 -0.09 0.13 0.22 -0.04 1.79 2.01 2f9iA1 LYS 305 HG2 -0.85 -0.05 -0.26 -0.04 1.46 0.26 2f9iA1 LYS 305 HG3 -0.28 -0.05 0.04 -0.04 1.46 1.13 2f9iA1 LYS 305 HD2 -0.11 0.16 0.09 -0.04 1.69 1.79 2f9iA1 LYS 305 HD3 -0.18 0.16 0.09 -0.04 1.68 1.71 2f9iA1 LYS 305 HE2 -0.10 -0.08 -0.15 -0.04 2.99 2.62 2f9iA1 LYS 305 HE3 -0.54 -0.04 -0.03 -0.04 2.99 2.34 2f9iA1 PHE 306 H 0.07 0.46 -0.06 -0.55 8.34 8.26 2f9iA1 PHE 306 HA -0.06 0.08 0.63 -0.75 4.62 4.52 2f9iA1 PHE 306 HB2 -0.12 0.09 0.12 -0.04 3.15 3.19 2f9iA1 PHE 306 HB3 -0.09 -0.10 0.02 -0.04 3.06 2.84 2f9iA1 PHE 306 HD2 -0.04 0.13 0.03 -0.04 7.28 7.36 2f9iA1 PHE 306 HE2 -0.00 0.06 -0.05 -0.04 7.38 7.35 2f9iA1 PHE 306 HZ 0.02 0.02 0.12 -0.04 7.32 7.45 2f9iA1 ARG 307 H -0.18 0.68 0.01 -0.55 8.46 8.42 2f9iA1 ARG 307 HA -0.17 -0.04 0.36 -0.75 4.34 3.73 2f9iA1 ARG 307 HB2 -0.90 -0.02 0.09 -0.04 1.90 1.03 2f9iA1 ARG 307 HB3 -0.22 0.07 0.07 -0.04 1.80 1.67 2f9iA1 ARG 307 HG2 0.07 -0.07 -0.06 -0.04 1.67 1.57 2f9iA1 ARG 307 HG3 -0.02 0.02 -0.20 -0.04 1.67 1.42 2f9iA1 ARG 307 HD2 -0.14 0.03 0.08 -0.04 3.22 3.15 2f9iA1 ARG 307 HD3 -0.20 -0.03 0.00 -0.04 3.22 2.95 2f9iA1 ASN 308 H -0.06 0.42 -0.41 -0.55 8.53 7.94 2f9iA1 ASN 308 HA 0.02 0.08 0.64 -0.75 4.76 4.74 2f9iA1 ASN 308 HB2 -0.03 0.19 0.11 -0.04 2.88 3.11 2f9iA1 ASN 308 HB3 -0.00 -0.10 0.18 -0.04 2.79 2.83 2f9iA1 ASN 308 HD21 0.05 -0.09 -0.08 -0.04 7.03 6.87 2f9iA1 ASN 308 HD22 0.04 0.03 -0.07 -0.04 7.74 7.69 2f9iA1 ILE 309 H -0.02 0.45 -0.40 -0.55 8.25 7.72 2f9iA1 ILE 309 HA -0.03 0.13 0.85 -0.75 4.18 4.37 2f9iA1 ILE 309 HB -0.01 0.07 0.18 -0.04 1.89 2.09 2f9iA1 ILE 309 HG12 -0.11 0.01 -0.01 -0.04 1.49 1.33 2f9iA1 ILE 309 HG13 -0.14 0.24 0.04 -0.04 1.21 1.31 2f9iA1 ILE 309 HG23 -0.02 -0.05 -0.11 -0.04 0.93 0.70 2f9iA1 ILE 309 HD13 -0.21 -0.04 0.02 -0.04 0.88 0.61 2f9iA1 GLY 310 H -0.01 0.23 0.16 -0.55 8.43 8.27 2f9iA1 GLY 310 HA2 0.03 -0.07 0.27 -0.51 4.01 3.73 2f9iA1 GLY 310 HA3 0.09 0.18 0.80 -0.51 4.01 4.58 2f9iA1 SER 311 H 0.04 0.18 0.16 -0.55 8.46 8.30 2f9iA1 SER 311 HA -0.26 0.22 0.97 -0.75 4.49 4.66 2f9iA1 SER 311 HB2 -0.11 -0.00 0.07 -0.04 3.95 3.87 2f9iA1 SER 311 HB3 -0.07 0.07 -0.07 -0.04 3.93 3.82 2f9iA1 TYR 312 H -0.57 0.34 0.20 -0.55 8.29 7.71 2f9iA1 TYR 312 HA -0.01 0.11 0.70 -0.75 4.56 4.61 2f9iA1 TYR 312 HB2 -0.01 -0.00 -0.02 -0.04 3.06 2.98 2f9iA1 TYR 312 HB3 -0.01 0.09 -0.19 -0.04 2.98 2.84 2f9iA1 TYR 312 HD2 -0.01 -0.04 -0.48 -0.04 7.15 6.59 2f9iA1 TYR 312 HE2 -0.01 0.05 -0.16 -0.04 6.85 6.70 2f9iA1 ILE 313 H 0.15 0.23 0.12 -0.55 8.25 8.20 2f9iA1 ILE 313 HA 0.03 0.16 0.85 -0.75 4.18 4.47 2f9iA1 ILE 313 HB 0.05 0.02 0.16 -0.04 1.89 2.08 2f9iA1 ILE 313 HG12 0.03 -0.02 -0.02 -0.04 1.49 1.44 2f9iA1 ILE 313 HG13 0.01 0.01 -0.00 -0.04 1.21 1.19 2f9iA1 ILE 313 HG23 0.02 -0.01 -0.08 -0.04 0.93 0.82 2f9iA1 ILE 313 HD13 -0.01 0.03 -0.17 -0.04 0.88 0.69 2f9iA1 GLU 314 H 0.09 0.19 0.02 -0.55 8.60 8.36 2f9iA1 GLU 314 HA 0.12 0.11 0.17 -0.75 4.29 3.93 2f9iA1 GLU 314 HB2 0.05 -0.01 0.07 -0.04 2.09 2.17 2f9iA1 GLU 314 HB3 0.05 0.02 0.06 -0.04 1.99 2.08 2f9iA1 GLU 314 HG2 0.12 0.02 0.03 -0.04 2.34 2.47 2f9iA1 GLU 314 HG3 0.07 0.01 0.02 -0.04 2.34 2.40