============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 19 1.040 45.768 10.101 14.891 -99.200 -91.000 TRP6 19 1.020 46.724 9.807 12.742 -99.200 -91.000 HIS 22 0.900 58.854 10.727 15.174 -99.200 -91.000 PHE 34 1.000 69.190 22.145 3.614 -99.200 -91.000 TYR 35 0.840 70.068 25.877 0.438 -99.200 -91.000 TYR 45 0.840 57.775 13.573 -1.892 -99.200 -91.000 TYR 48 0.840 55.108 17.829 2.115 -99.200 -91.000 TRP 50 1.040 58.608 22.636 0.095 -99.200 -91.000 TRP6 50 1.020 59.674 20.976 1.405 -99.200 -91.000 TYR 64 0.840 48.638 18.242 1.504 -99.200 -91.000 PHE 73 1.000 50.213 13.415 5.313 -99.200 -91.000 HIS 84 0.900 85.307 21.530 5.389 -99.200 -91.000 TYR 89 0.840 66.763 16.090 11.548 -99.200 -91.000 TYR 92 0.840 55.873 11.247 5.660 -99.200 -91.000 TRP 102 1.040 42.703 3.663 15.620 -99.200 -91.000 TRP6 102 1.020 43.578 5.802 16.108 -99.200 -91.000 TYR 106 0.840 52.517 1.700 12.023 -99.200 -91.000 PHE 109 1.000 54.493 7.983 8.852 -99.200 -91.000 PHE 117 1.000 62.408 8.991 5.625 -99.200 -91.000 PHE 124 1.000 61.247 6.733 16.619 -99.200 -91.000 HIS 130 0.900 40.237 14.307 26.953 -99.200 -91.000 PHE 149 1.000 30.400 -0.550 55.248 -99.200 -91.000 HIS 153 0.900 18.789 1.104 43.210 -99.200 -91.000 PHE 159 1.000 23.216 13.556 46.554 -99.200 -91.000 PHE 165 1.000 18.537 -6.114 56.075 -99.200 -91.000 TRP 169 1.040 25.955 -3.251 61.291 -99.200 -91.000 TRP6 169 1.020 25.724 -1.803 59.435 -99.200 -91.000 TYR 172 0.840 13.703 -3.569 61.935 -99.200 -91.000 HIS 177 0.900 12.043 1.084 49.468 -99.200 -91.000 HIS 187 0.900 35.241 15.017 44.491 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fpnA1 LEU 1 HA -0.05 0.01 0.18 -0.75 4.35 3.74 2fpnA1 LEU 1 HB2 -0.04 -0.02 -0.06 -0.04 1.64 1.49 2fpnA1 LEU 1 HB3 -0.03 0.02 0.02 -0.04 1.64 1.62 2fpnA1 LEU 1 HG -0.01 -0.07 0.05 -0.04 1.64 1.57 2fpnA1 LEU 1 HD13 0.00 0.00 -0.00 -0.04 0.93 0.90 2fpnA1 LEU 1 HD23 -0.01 0.01 0.02 -0.04 0.89 0.87 2fpnA1 THR 2 H -0.09 0.06 0.09 -0.55 8.28 7.80 2fpnA1 THR 2 HA -0.28 0.13 0.26 -0.75 4.39 3.75 2fpnA1 THR 2 HB -0.98 0.01 0.11 -0.04 4.32 3.43 2fpnA1 THR 2 HG23 -0.01 0.03 0.10 -0.04 1.22 1.30 2fpnA1 PRO 3 HA -0.18 0.11 0.40 -0.51 4.44 4.26 2fpnA1 PRO 3 HB2 -0.16 0.01 0.01 -0.04 2.28 2.10 2fpnA1 PRO 3 HB3 -0.12 0.07 0.12 -0.04 2.02 2.05 2fpnA1 PRO 3 HG2 -0.12 0.06 0.11 -0.04 2.03 2.04 2fpnA1 PRO 3 HG3 -0.14 0.08 0.13 -0.04 2.03 2.06 2fpnA1 PRO 3 HD2 -1.08 0.04 0.20 -0.04 3.68 2.80 2fpnA1 PRO 3 HD3 -0.31 0.16 0.21 -0.04 3.65 3.67 2fpnA1 LEU 4 H -0.49 -0.01 -0.33 -0.55 8.37 7.00 2fpnA1 LEU 4 HA -0.16 0.15 0.45 -0.75 4.35 4.04 2fpnA1 LEU 4 HB2 0.10 -0.08 0.07 -0.04 1.64 1.69 2fpnA1 LEU 4 HB3 0.01 -0.02 -0.03 -0.04 1.64 1.56 2fpnA1 LEU 4 HG 0.17 -0.01 -0.02 -0.04 1.64 1.74 2fpnA1 LEU 4 HD13 0.07 -0.03 -0.00 -0.04 0.93 0.93 2fpnA1 LEU 4 HD23 -0.17 0.03 -0.01 -0.04 0.89 0.69 2fpnA1 ALA 5 H -0.16 0.01 -0.20 -0.55 8.40 7.50 2fpnA1 ALA 5 HA -0.25 -0.05 0.35 -0.75 4.34 3.64 2fpnA1 ALA 5 HB3 -0.04 0.00 0.01 -0.04 1.41 1.34 2fpnA1 GLN 6 H -0.19 0.40 -0.33 -0.55 8.47 7.80 2fpnA1 GLN 6 HA -0.15 -0.03 0.05 -0.75 4.36 3.48 2fpnA1 GLN 6 HB2 -0.15 0.07 0.01 -0.04 2.15 2.04 2fpnA1 GLN 6 HB3 -0.12 -0.02 0.06 -0.04 2.02 1.90 2fpnA1 GLN 6 HG2 -0.09 -0.05 -0.03 -0.04 2.40 2.20 2fpnA1 GLN 6 HG3 -0.10 -0.06 -0.12 -0.04 2.39 2.07 2fpnA1 GLN 6 HE21 -0.09 0.01 -0.03 -0.04 6.97 6.81 2fpnA1 GLN 6 HE22 -0.10 -0.04 -0.03 -0.04 7.69 7.48 2fpnA1 ALA 8 HA -0.52 -0.08 0.32 -0.75 4.34 3.30 2fpnA1 ALA 8 HB3 -1.65 -0.03 0.11 -0.04 1.41 -0.21 2fpnA1 GLU 9 H -0.39 0.71 -0.19 -0.55 8.60 8.18 2fpnA1 GLU 9 HA -0.12 -0.04 0.30 -0.75 4.29 3.68 2fpnA1 GLU 9 HB2 -0.14 0.06 0.03 -0.04 2.09 2.00 2fpnA1 GLU 9 HB3 -0.07 -0.09 0.02 -0.04 1.99 1.80 2fpnA1 GLU 9 HG2 -0.01 -0.07 0.03 -0.04 2.34 2.25 2fpnA1 GLU 9 HG3 -0.18 0.03 0.07 -0.04 2.34 2.22 2fpnA1 GLY 10 H -0.16 0.66 0.10 -0.55 8.43 8.48 2fpnA1 GLY 10 HA2 -0.08 -0.05 0.38 -0.51 4.01 3.75 2fpnA1 GLY 10 HA3 -0.10 0.06 0.25 -0.51 4.01 3.72 2fpnA1 GLU 12 HA -0.03 0.07 0.33 -0.75 4.29 3.90 2fpnA1 GLU 12 HB2 -0.04 0.07 0.11 -0.04 2.09 2.20 2fpnA1 GLU 12 HB3 -0.01 -0.06 -0.07 -0.04 1.99 1.81 2fpnA1 GLU 12 HG2 0.03 -0.07 0.02 -0.04 2.34 2.28 2fpnA1 GLU 12 HG3 0.01 0.05 0.10 -0.04 2.34 2.45 2fpnA1 ARG 13 H -0.05 0.60 -0.32 -0.55 8.46 8.14 2fpnA1 ARG 13 HA -0.02 -0.04 0.41 -0.75 4.34 3.94 2fpnA1 ARG 13 HB2 -0.04 0.21 0.17 -0.04 1.90 2.20 2fpnA1 ARG 13 HB3 -0.03 -0.06 0.01 -0.04 1.80 1.68 2fpnA1 ARG 13 HG2 -0.02 -0.06 0.08 -0.04 1.67 1.63 2fpnA1 ARG 13 HG3 -0.03 0.02 0.07 -0.04 1.67 1.69 2fpnA1 ARG 13 HD2 -0.03 -0.01 0.01 -0.04 3.22 3.14 2fpnA1 ARG 13 HD3 -0.02 -0.07 0.01 -0.04 3.22 3.10 2fpnA1 GLN 14 H -0.04 0.45 0.14 -0.55 8.47 8.47 2fpnA1 GLN 14 HA -0.03 0.09 0.66 -0.75 4.36 4.33 2fpnA1 GLN 14 HB2 -0.04 0.17 0.13 -0.04 2.15 2.37 2fpnA1 GLN 14 HB3 -0.04 -0.04 0.02 -0.04 2.02 1.92 2fpnA1 GLN 14 HG2 -0.03 -0.03 0.04 -0.04 2.40 2.33 2fpnA1 GLN 14 HG3 -0.02 -0.04 0.09 -0.04 2.39 2.37 2fpnA1 GLN 14 HE21 -0.02 -0.03 0.02 -0.04 6.97 6.90 2fpnA1 GLN 14 HE22 -0.02 -0.03 0.04 -0.04 7.69 7.65 2fpnA1 ASP 15 H -0.03 0.71 -0.52 -0.55 8.40 8.01 2fpnA1 ASP 15 HA -0.03 0.10 0.30 -0.75 4.63 4.25 2fpnA1 ASP 15 HB2 -0.02 0.12 -0.39 -0.04 2.71 2.38 2fpnA1 ASP 15 HB3 -0.02 -0.15 0.24 -0.04 2.70 2.74 2fpnA1 VAL 16 H -0.04 0.11 -0.44 -0.55 8.24 7.32 2fpnA1 VAL 16 HA -0.07 0.13 0.82 -0.75 4.13 4.25 2fpnA1 VAL 16 HB -0.05 0.05 -0.12 -0.04 2.12 1.95 2fpnA1 VAL 16 HG13 -0.05 -0.01 -0.31 -0.04 0.97 0.56 2fpnA1 VAL 16 HG23 -0.03 0.01 -0.20 -0.04 0.95 0.69 2fpnA1 SER 17 H -0.24 0.71 0.31 -0.55 8.46 8.69 2fpnA1 SER 17 HA -0.10 0.10 0.71 -0.75 4.49 4.45 2fpnA1 SER 17 HB2 -0.40 0.04 0.09 -0.04 3.95 3.63 2fpnA1 SER 17 HB3 -1.17 -0.12 0.07 -0.04 3.93 2.67 2fpnA1 ILE 18 H 0.02 0.16 0.15 -0.55 8.25 8.03 2fpnA1 ILE 18 HA 0.05 0.12 0.63 -0.75 4.18 4.22 2fpnA1 ILE 18 HB 0.19 -0.05 0.12 -0.04 1.89 2.11 2fpnA1 ILE 18 HG12 0.01 0.00 -0.08 -0.04 1.49 1.38 2fpnA1 ILE 18 HG13 -0.00 0.04 -0.16 -0.04 1.21 1.05 2fpnA1 ILE 18 HG23 0.32 0.02 -0.25 -0.04 0.93 0.98 2fpnA1 ILE 18 HD13 -0.03 0.03 0.02 -0.04 0.88 0.86 2fpnA1 ASP 19 H 0.10 0.60 0.51 -0.55 8.40 9.06 2fpnA1 ASP 19 HA 0.13 0.13 0.77 -0.75 4.63 4.90 2fpnA1 ASP 19 HB2 0.09 0.00 -0.09 -0.04 2.71 2.67 2fpnA1 ASP 19 HB3 0.08 -0.04 0.00 -0.04 2.70 2.71 2fpnA1 LYS 20 H 0.14 0.36 0.19 -0.55 8.42 8.56 2fpnA1 LYS 20 HA -0.02 0.37 0.89 -0.75 4.32 4.81 2fpnA1 LYS 20 HB2 -0.03 0.06 -0.26 -0.04 1.87 1.60 2fpnA1 LYS 20 HB3 0.02 -0.16 -0.08 -0.04 1.79 1.53 2fpnA1 LYS 20 HG2 -0.04 -0.09 -0.32 -0.04 1.46 0.97 2fpnA1 LYS 20 HG3 -0.17 0.26 -0.09 -0.04 1.46 1.42 2fpnA1 LYS 20 HD2 -0.11 0.00 -0.13 -0.04 1.69 1.42 2fpnA1 LYS 20 HD3 -0.04 -0.07 -0.13 -0.04 1.68 1.40 2fpnA1 LYS 20 HE2 -0.03 -0.05 -0.14 -0.04 2.99 2.72 2fpnA1 LYS 20 HE3 -0.08 0.05 -0.17 -0.04 2.99 2.74 2fpnA1 TRP 21 H -0.37 0.63 0.36 -0.55 7.97 8.05 2fpnA1 TRP 21 HA 0.04 0.20 1.03 -0.75 4.62 5.14 2fpnA1 TRP 21 HB2 0.14 -0.05 0.06 -0.04 3.23 3.34 2fpnA1 TRP 21 HB3 0.20 -0.02 0.08 -0.04 3.23 3.44 2fpnA1 TRP 21 HD1 0.27 -0.07 -0.22 -0.04 7.22 7.16 2fpnA1 TRP 21 HE1 -0.07 0.67 0.00 -0.04 10.20 10.77 2fpnA1 TRP 21 HE3 0.03 -0.01 -0.32 -0.04 7.59 7.25 2fpnA1 TRP 21 HZ2 -0.11 0.06 0.02 -0.04 7.44 7.36 2fpnA1 TRP 21 HZ3 -0.07 -0.09 -0.12 -0.04 7.13 6.81 2fpnA1 TRP 21 HH2 -0.06 -0.08 -0.04 -0.04 7.19 6.97 2fpnA1 THR 22 H 0.20 0.64 0.40 -0.55 8.28 8.98 2fpnA1 THR 22 HA -0.09 0.29 0.88 -0.75 4.39 4.72 2fpnA1 THR 22 HB -0.13 0.08 0.16 -0.04 4.32 4.39 2fpnA1 THR 22 HG23 -0.06 0.03 -0.28 -0.04 1.22 0.87 2fpnA1 LEU 23 H -0.12 0.72 0.33 -0.55 8.37 8.75 2fpnA1 LEU 23 HA -0.09 0.34 1.06 -0.75 4.35 4.90 2fpnA1 LEU 23 HB2 -1.05 -0.07 0.16 -0.04 1.64 0.64 2fpnA1 LEU 23 HB3 -1.22 -0.02 0.05 -0.04 1.64 0.41 2fpnA1 LEU 23 HG 0.24 0.02 -0.16 -0.04 1.64 1.70 2fpnA1 LEU 23 HD13 -0.09 -0.03 -0.06 -0.04 0.93 0.71 2fpnA1 LEU 23 HD23 0.10 0.02 -0.01 -0.04 0.89 0.95 2fpnA1 HIS 24 H -0.04 0.50 0.41 -0.55 8.41 8.72 2fpnA1 HIS 24 HA 0.28 0.32 0.97 -0.75 4.63 5.45 2fpnA1 HIS 24 HB2 0.07 0.05 0.14 -0.04 3.26 3.49 2fpnA1 HIS 24 HB3 -0.00 -0.00 -0.31 -0.04 3.20 2.84 2fpnA1 HIS 24 HD2 -0.08 0.01 -0.28 -0.04 6.97 6.58 2fpnA1 HIS 24 HE1 -0.24 -0.00 -0.11 -0.04 7.75 7.34 2fpnA1 ALA 25 H 0.48 0.60 0.46 -0.55 8.40 9.40 2fpnA1 ALA 25 HA 0.23 0.22 0.88 -0.75 4.34 4.91 2fpnA1 ALA 25 HB3 0.36 -0.01 0.02 -0.04 1.41 1.74 2fpnA1 LYS 26 H 0.01 0.29 0.25 -0.55 8.42 8.42 2fpnA1 LYS 26 HA 0.11 0.33 1.14 -0.75 4.32 5.14 2fpnA1 LYS 26 HB2 0.03 -0.02 -0.21 -0.04 1.87 1.63 2fpnA1 LYS 26 HB3 -0.04 -0.03 0.04 -0.04 1.79 1.71 2fpnA1 LYS 26 HG2 -0.07 -0.02 -0.20 -0.04 1.46 1.12 2fpnA1 LYS 26 HG3 -0.05 0.03 -0.09 -0.04 1.46 1.31 2fpnA1 LYS 26 HD2 -0.50 0.01 -0.11 -0.04 1.69 1.04 2fpnA1 LYS 26 HD3 -0.22 -0.02 -0.09 -0.04 1.68 1.30 2fpnA1 LYS 26 HE2 -0.19 -0.03 -0.14 -0.04 2.99 2.60 2fpnA1 LYS 26 HE3 -0.82 0.01 -0.14 -0.04 2.99 1.99 2fpnA1 GLN 27 H 0.07 0.66 0.36 -0.55 8.47 9.01 2fpnA1 GLN 27 HA -0.12 0.14 1.10 -0.75 4.36 4.73 2fpnA1 GLN 27 HB2 -0.62 0.00 -0.08 -0.04 2.15 1.41 2fpnA1 GLN 27 HB3 0.00 -0.03 0.16 -0.04 2.02 2.11 2fpnA1 GLN 27 HG2 0.05 0.15 -0.29 -0.04 2.40 2.27 2fpnA1 GLN 27 HG3 -0.04 -0.02 0.03 -0.04 2.39 2.32 2fpnA1 GLN 27 HE21 0.15 0.38 0.04 -0.04 6.97 7.51 2fpnA1 GLN 27 HE22 0.05 -0.08 -0.05 -0.04 7.69 7.57 2fpnA1 ASN 28 H 0.01 0.12 0.17 -0.55 8.53 8.29 2fpnA1 ASN 28 HA 0.14 0.19 0.85 -0.75 4.76 5.19 2fpnA1 ASN 28 HB2 0.04 -0.03 0.12 -0.04 2.88 2.96 2fpnA1 ASN 28 HB3 0.06 0.06 0.15 -0.04 2.79 3.03 2fpnA1 ASN 28 HD21 0.01 -0.01 0.03 -0.04 7.03 7.03 2fpnA1 ASN 28 HD22 0.02 -0.00 0.07 -0.04 7.74 7.79 2fpnA1 LEU 29 H 0.09 0.71 0.41 -0.55 8.37 9.03 2fpnA1 LEU 29 HA 0.05 0.14 0.70 -0.75 4.35 4.49 2fpnA1 LEU 29 HB2 0.10 0.02 -0.33 -0.04 1.64 1.38 2fpnA1 LEU 29 HB3 0.06 -0.06 -0.22 -0.04 1.64 1.38 2fpnA1 LEU 29 HG 0.05 -0.06 -0.05 -0.04 1.64 1.53 2fpnA1 LEU 29 HD13 0.08 0.03 -0.09 -0.04 0.93 0.90 2fpnA1 LEU 29 HD23 0.07 -0.00 -0.15 -0.04 0.89 0.77 2fpnA1 SER 30 H 0.04 0.20 0.06 -0.55 8.46 8.21 2fpnA1 SER 30 HA 0.04 0.23 0.80 -0.75 4.49 4.81 2fpnA1 SER 30 HB2 0.03 0.04 -0.08 -0.04 3.95 3.89 2fpnA1 SER 30 HB3 0.02 -0.06 0.13 -0.04 3.93 3.98 2fpnA1 LEU 31 H 0.03 0.28 -0.09 -0.55 8.37 8.05 2fpnA1 LEU 31 HA 0.03 0.11 0.92 -0.75 4.35 4.65 2fpnA1 LEU 31 HB2 0.09 0.03 -0.05 -0.04 1.64 1.67 2fpnA1 LEU 31 HB3 0.10 0.03 -0.19 -0.04 1.64 1.54 2fpnA1 LEU 31 HG 0.05 -0.12 -0.40 -0.04 1.64 1.12 2fpnA1 LEU 31 HD13 0.04 0.03 -0.16 -0.04 0.93 0.80 2fpnA1 LEU 31 HD23 0.02 0.06 -0.22 -0.04 0.89 0.70 2fpnA1 THR 32 H 0.02 0.15 0.14 -0.55 8.28 8.05 2fpnA1 THR 32 HA 0.01 0.19 0.60 -0.75 4.39 4.43 2fpnA1 THR 32 HB 0.02 -0.22 0.12 -0.04 4.32 4.21 2fpnA1 THR 32 HG23 0.02 -0.10 0.07 -0.04 1.22 1.16 2fpnA1 GLU 33 H 0.02 0.24 0.15 -0.55 8.60 8.46 2fpnA1 GLU 33 HA 0.00 0.15 0.47 -0.75 4.29 4.16 2fpnA1 GLU 33 HB2 0.03 0.09 0.17 -0.04 2.09 2.34 2fpnA1 GLU 33 HB3 0.09 -0.04 0.09 -0.04 1.99 2.08 2fpnA1 GLU 33 HG2 0.34 -0.03 -0.07 -0.04 2.34 2.54 2fpnA1 GLU 33 HG3 0.04 0.06 0.03 -0.04 2.34 2.43 2fpnA1 LYS 34 H 0.07 0.11 -0.14 -0.55 8.42 7.90 2fpnA1 LYS 34 HA 0.15 0.10 0.31 -0.75 4.32 4.12 2fpnA1 LYS 34 HB2 0.05 0.02 0.08 -0.04 1.87 1.98 2fpnA1 LYS 34 HB3 0.04 -0.02 0.04 -0.04 1.79 1.81 2fpnA1 LYS 34 HG2 0.04 0.01 -0.17 -0.04 1.46 1.31 2fpnA1 LYS 34 HG3 0.04 0.02 0.01 -0.04 1.46 1.49 2fpnA1 LYS 34 HD2 0.02 0.01 -0.01 -0.04 1.69 1.67 2fpnA1 LYS 34 HD3 0.02 -0.01 -0.02 -0.04 1.68 1.62 2fpnA1 LYS 34 HE2 0.01 0.01 -0.05 -0.04 2.99 2.91 2fpnA1 LYS 34 HE3 0.01 0.01 -0.04 -0.04 2.99 2.93 2fpnA1 GLU 35 H 0.06 0.03 -0.23 -0.55 8.60 7.91 2fpnA1 GLU 35 HA 0.02 0.08 0.45 -0.75 4.29 4.09 2fpnA1 GLU 35 HB2 0.04 0.01 0.08 -0.04 2.09 2.18 2fpnA1 GLU 35 HB3 0.01 0.07 0.05 -0.04 1.99 2.08 2fpnA1 GLU 35 HG2 0.01 0.06 0.05 -0.04 2.34 2.42 2fpnA1 GLU 35 HG3 0.02 -0.12 0.07 -0.04 2.34 2.27 2fpnA1 PHE 36 H 0.15 0.55 -0.41 -0.55 8.34 8.09 2fpnA1 PHE 36 HA -0.12 0.03 0.35 -0.75 4.62 4.13 2fpnA1 PHE 36 HB2 -0.14 0.03 -0.08 -0.04 3.15 2.92 2fpnA1 PHE 36 HB3 -0.21 0.14 0.15 -0.04 3.06 3.10 2fpnA1 PHE 36 HD2 -0.78 0.01 -0.25 -0.04 7.28 6.22 2fpnA1 PHE 36 HE2 -0.46 0.06 -0.29 -0.04 7.38 6.64 2fpnA1 PHE 36 HZ -0.17 -0.04 -0.29 -0.04 7.32 6.77 2fpnA1 TYR 37 H 0.23 0.51 -0.07 -0.55 8.29 8.40 2fpnA1 TYR 37 HA -0.11 0.04 0.38 -0.75 4.56 4.12 2fpnA1 TYR 37 HB2 0.06 0.07 0.06 -0.04 3.06 3.21 2fpnA1 TYR 37 HB3 0.00 -0.01 0.02 -0.04 2.98 2.94 2fpnA1 TYR 37 HD2 0.08 0.04 -0.04 -0.04 7.15 7.19 2fpnA1 TYR 37 HE2 0.08 -0.02 -0.06 -0.04 6.85 6.81 2fpnA1 GLN 38 H 0.04 0.32 -0.42 -0.55 8.47 7.86 2fpnA1 GLN 38 HA -0.02 0.04 0.53 -0.75 4.36 4.15 2fpnA1 GLN 38 HB2 0.01 0.07 0.12 -0.04 2.15 2.31 2fpnA1 GLN 38 HB3 -0.02 0.17 0.16 -0.04 2.02 2.28 2fpnA1 GLN 38 HG2 -0.02 -0.02 -0.02 -0.04 2.40 2.30 2fpnA1 GLN 38 HG3 -0.04 -0.00 -0.15 -0.04 2.39 2.16 2fpnA1 GLN 38 HE21 -0.01 -0.02 -0.02 -0.04 6.97 6.89 2fpnA1 GLN 38 HE22 0.00 -0.01 -0.02 -0.04 7.69 7.62 2fpnA1 LYS 39 H -0.13 0.58 -0.10 -0.55 8.42 8.22 2fpnA1 LYS 39 HA -0.12 0.03 0.39 -0.75 4.32 3.87 2fpnA1 LYS 39 HB2 -0.11 0.04 0.12 -0.04 1.87 1.88 2fpnA1 LYS 39 HB3 -0.28 0.13 0.17 -0.04 1.79 1.76 2fpnA1 LYS 39 HG2 -0.10 -0.01 -0.04 -0.04 1.46 1.27 2fpnA1 LYS 39 HG3 -0.17 -0.03 -0.14 -0.04 1.46 1.08 2fpnA1 LYS 39 HD2 -0.08 -0.06 0.07 -0.04 1.69 1.58 2fpnA1 LYS 39 HD3 -0.05 -0.01 0.01 -0.04 1.68 1.59 2fpnA1 LYS 39 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.89 2fpnA1 LYS 39 HE3 -0.02 0.02 -0.02 -0.04 2.99 2.92 2fpnA1 VAL 40 H -0.39 0.51 -0.17 -0.55 8.24 7.63 2fpnA1 VAL 40 HA -0.52 0.03 0.33 -0.75 4.13 3.21 2fpnA1 VAL 40 HB -0.30 0.06 0.11 -0.04 2.12 1.95 2fpnA1 VAL 40 HG13 -0.41 -0.01 -0.18 -0.04 0.97 0.34 2fpnA1 VAL 40 HG23 -0.84 0.04 -0.01 -0.04 0.95 0.10 2fpnA1 GLN 41 H -0.17 0.48 -0.30 -0.55 8.47 7.93 2fpnA1 GLN 41 HA -0.19 -0.01 0.34 -0.75 4.36 3.75 2fpnA1 GLN 41 HB2 -0.07 0.03 0.14 -0.04 2.15 2.21 2fpnA1 GLN 41 HB3 -0.08 0.15 0.18 -0.04 2.02 2.23 2fpnA1 GLN 41 HG2 -0.08 -0.00 -0.22 -0.04 2.40 2.07 2fpnA1 GLN 41 HG3 -0.07 -0.04 0.03 -0.04 2.39 2.27 2fpnA1 GLN 41 HE21 -0.03 -0.05 -0.02 -0.04 6.97 6.83 2fpnA1 GLN 41 HE22 -0.05 0.05 -0.04 -0.04 7.69 7.62 2fpnA1 ARG 42 H -0.14 0.49 -0.25 -0.55 8.46 8.00 2fpnA1 ARG 42 HA -0.09 0.01 0.53 -0.75 4.34 4.03 2fpnA1 ARG 42 HB2 -0.09 0.13 0.15 -0.04 1.90 2.05 2fpnA1 ARG 42 HB3 -0.07 -0.03 0.02 -0.04 1.80 1.68 2fpnA1 ARG 42 HG2 -0.06 -0.06 0.02 -0.04 1.67 1.53 2fpnA1 ARG 42 HG3 -0.07 0.15 0.03 -0.04 1.67 1.74 2fpnA1 ARG 42 HD2 -0.05 0.02 -0.02 -0.04 3.22 3.14 2fpnA1 ARG 42 HD3 -0.04 -0.05 -0.02 -0.04 3.22 3.07 2fpnA1 LEU 43 H -0.19 0.59 -0.09 -0.55 8.37 8.14 2fpnA1 LEU 43 HA 0.13 0.01 0.44 -0.75 4.35 4.18 2fpnA1 LEU 43 HB2 -0.46 0.11 0.15 -0.04 1.64 1.40 2fpnA1 LEU 43 HB3 0.06 -0.06 -0.02 -0.04 1.64 1.59 2fpnA1 LEU 43 HG -0.13 0.27 0.03 -0.04 1.64 1.77 2fpnA1 LEU 43 HD13 -0.10 -0.03 -0.10 -0.04 0.93 0.66 2fpnA1 LEU 43 HD23 0.07 -0.01 -0.03 -0.04 0.89 0.88 2fpnA1 LYS 44 H -0.33 0.52 -0.21 -0.55 8.42 7.85 2fpnA1 LYS 44 HA 0.12 0.08 0.29 -0.75 4.32 4.05 2fpnA1 LYS 44 HB2 -0.23 0.09 0.05 -0.04 1.87 1.73 2fpnA1 LYS 44 HB3 -0.10 -0.03 -0.06 -0.04 1.79 1.56 2fpnA1 LYS 44 HG2 -1.10 -0.02 -0.06 -0.04 1.46 0.25 2fpnA1 LYS 44 HG3 -1.19 0.08 -0.04 -0.04 1.46 0.27 2fpnA1 LYS 44 HD2 -0.32 -0.01 -0.14 -0.04 1.69 1.17 2fpnA1 LYS 44 HD3 -0.19 -0.01 -0.05 -0.04 1.68 1.39 2fpnA1 LYS 44 HE2 -0.29 -0.01 -0.08 -0.04 2.99 2.57 2fpnA1 LYS 44 HE3 -0.46 -0.03 -0.12 -0.04 2.99 2.34 2fpnA1 GLN 45 H -0.09 0.34 -0.30 -0.55 8.47 7.88 2fpnA1 GLN 45 HA -0.03 0.04 0.60 -0.75 4.36 4.21 2fpnA1 GLN 45 HB2 -0.08 0.09 0.20 -0.04 2.15 2.32 2fpnA1 GLN 45 HB3 -0.07 -0.06 -0.01 -0.04 2.02 1.84 2fpnA1 GLN 45 HG2 -0.05 -0.06 0.03 -0.04 2.40 2.28 2fpnA1 GLN 45 HG3 -0.06 -0.01 0.00 -0.04 2.39 2.29 2fpnA1 GLN 45 HE21 -0.05 -0.07 -0.04 -0.04 6.97 6.77 2fpnA1 GLN 45 HE22 -0.06 0.02 0.02 -0.04 7.69 7.62 2fpnA1 GLU 46 H -0.11 0.59 -0.06 -0.55 8.60 8.47 2fpnA1 GLU 46 HA -0.25 0.00 0.31 -0.75 4.29 3.60 2fpnA1 GLU 46 HB2 -0.26 -0.03 0.09 -0.04 2.09 1.85 2fpnA1 GLU 46 HB3 -0.44 0.06 0.13 -0.04 1.99 1.70 2fpnA1 GLU 46 HG2 -0.85 0.02 -0.04 -0.04 2.34 1.42 2fpnA1 GLU 46 HG3 -1.10 -0.04 -0.08 -0.04 2.34 1.08 2fpnA1 TYR 47 H 0.11 0.65 -0.19 -0.55 8.29 8.31 2fpnA1 TYR 47 HA 0.01 0.14 0.98 -0.75 4.56 4.93 2fpnA1 TYR 47 HB2 0.46 0.09 0.17 -0.04 3.06 3.74 2fpnA1 TYR 47 HB3 0.25 -0.12 0.06 -0.04 2.98 3.13 2fpnA1 TYR 47 HD2 0.03 0.04 0.00 -0.04 7.15 7.19 2fpnA1 TYR 47 HE2 -0.09 0.00 -0.06 -0.04 6.85 6.66 2fpnA1 ARG 48 H 0.01 0.26 -0.11 -0.55 8.46 8.07 2fpnA1 ARG 48 HA 0.14 0.20 0.23 -0.75 4.34 4.16 2fpnA1 ARG 48 HB2 -0.02 -0.04 0.09 -0.04 1.90 1.88 2fpnA1 ARG 48 HB3 0.00 -0.05 0.07 -0.04 1.80 1.78 2fpnA1 ARG 48 HG2 0.02 -0.09 0.07 -0.04 1.67 1.63 2fpnA1 ARG 48 HG3 0.03 0.26 0.04 -0.04 1.67 1.97 2fpnA1 ARG 48 HD2 -0.02 -0.07 0.07 -0.04 3.22 3.16 2fpnA1 ARG 48 HD3 -0.04 0.22 0.07 -0.04 3.22 3.42 2fpnA1 GLN 49 H -0.14 0.01 -0.59 -0.55 8.47 7.20 2fpnA1 GLN 49 HA -0.27 0.06 0.30 -0.75 4.36 3.70 2fpnA1 GLN 49 HB2 -1.55 -0.05 0.02 -0.04 2.15 0.54 2fpnA1 GLN 49 HB3 -0.58 -0.04 0.01 -0.04 2.02 1.36 2fpnA1 GLN 49 HG2 -1.16 0.10 -0.20 -0.04 2.40 1.09 2fpnA1 GLN 49 HG3 -1.30 -0.06 -0.14 -0.04 2.39 0.86 2fpnA1 GLN 49 HE21 -0.03 0.03 -0.05 -0.04 6.97 6.88 2fpnA1 GLN 49 HE22 -0.52 -0.02 -0.09 -0.04 7.69 7.01 2fpnA1 TYR 50 H 0.00 0.34 -0.18 -0.55 8.29 7.90 2fpnA1 TYR 50 HA -0.13 0.18 0.36 -0.75 4.56 4.22 2fpnA1 TYR 50 HB2 -0.30 0.11 -0.01 -0.04 3.06 2.83 2fpnA1 TYR 50 HB3 -1.17 -0.11 -0.10 -0.04 2.98 1.55 2fpnA1 TYR 50 HD2 -0.02 0.11 -0.32 -0.04 7.15 6.88 2fpnA1 TYR 50 HE2 -0.08 0.00 -0.26 -0.04 6.85 6.47 2fpnA1 ASP 51 H -0.05 0.73 0.48 -0.55 8.40 9.02 2fpnA1 ASP 51 HA 0.06 0.14 0.89 -0.75 4.63 4.96 2fpnA1 ASP 51 HB2 -0.00 -0.04 0.21 -0.04 2.71 2.84 2fpnA1 ASP 51 HB3 0.04 -0.01 0.07 -0.04 2.70 2.77 2fpnA1 TRP 52 H 0.28 0.17 0.15 -0.55 7.97 8.01 2fpnA1 TRP 52 HA 0.06 0.36 0.86 -0.75 4.62 5.14 2fpnA1 TRP 52 HB2 0.05 -0.02 0.04 -0.04 3.23 3.26 2fpnA1 TRP 52 HB3 0.04 -0.03 -0.11 -0.04 3.23 3.09 2fpnA1 TRP 52 HD1 0.08 0.07 -0.09 -0.04 7.22 7.23 2fpnA1 TRP 52 HE1 0.14 0.17 -0.13 -0.04 10.20 10.34 2fpnA1 TRP 52 HE3 -0.03 -0.03 -0.42 -0.04 7.59 7.07 2fpnA1 TRP 52 HZ2 -0.02 0.10 -0.18 -0.04 7.44 7.29 2fpnA1 TRP 52 HZ3 -0.13 0.07 -0.16 -0.04 7.13 6.87 2fpnA1 TRP 52 HH2 -0.26 -0.02 -0.10 -0.04 7.19 6.77 2fpnA1 VAL 53 H 0.25 0.57 0.34 -0.55 8.24 8.85 2fpnA1 VAL 53 HA 0.15 0.11 0.71 -0.75 4.13 4.34 2fpnA1 VAL 53 HB 0.09 0.01 0.14 -0.04 2.12 2.32 2fpnA1 VAL 53 HG13 0.08 -0.02 -0.16 -0.04 0.97 0.82 2fpnA1 VAL 53 HG23 0.07 0.00 -0.12 -0.04 0.95 0.86 2fpnA1 ILE 54 H 0.14 0.17 0.13 -0.55 8.25 8.14 2fpnA1 ILE 54 HA 0.17 0.32 1.20 -0.75 4.18 5.12 2fpnA1 ILE 54 HB 0.15 -0.04 0.15 -0.04 1.89 2.11 2fpnA1 ILE 54 HG12 0.31 -0.02 -0.03 -0.04 1.49 1.71 2fpnA1 ILE 54 HG13 0.20 0.06 0.05 -0.04 1.21 1.48 2fpnA1 ILE 54 HG23 0.20 -0.01 -0.18 -0.04 0.93 0.90 2fpnA1 ILE 54 HD13 0.14 -0.03 -0.17 -0.04 0.88 0.79 2fpnA1 ALA 55 H 0.10 0.81 0.36 -0.55 8.40 9.12 2fpnA1 ALA 55 HA 0.06 0.14 0.91 -0.75 4.34 4.69 2fpnA1 ALA 55 HB3 0.05 0.01 0.01 -0.04 1.41 1.43 2fpnA1 ARG 56 H 0.03 0.22 0.03 -0.55 8.46 8.18 2fpnA1 ARG 56 HA -0.02 0.21 0.90 -0.75 4.34 4.68 2fpnA1 ARG 56 HB2 0.03 0.01 -0.09 -0.04 1.90 1.80 2fpnA1 ARG 56 HB3 0.02 0.00 0.20 -0.04 1.80 1.98 2fpnA1 ARG 56 HG2 -0.02 -0.04 -0.10 -0.04 1.67 1.48 2fpnA1 ARG 56 HG3 -0.03 0.05 0.00 -0.04 1.67 1.66 2fpnA1 ARG 56 HD2 0.02 0.02 0.01 -0.04 3.22 3.22 2fpnA1 ARG 56 HD3 0.01 -0.02 0.03 -0.04 3.22 3.19 2fpnA1 GLU 57 H -0.00 0.26 -0.04 -0.55 8.60 8.27 2fpnA1 GLU 57 HA 0.00 0.09 0.88 -0.75 4.29 4.51 2fpnA1 GLU 57 HB2 0.01 0.01 0.08 -0.04 2.09 2.15 2fpnA1 GLU 57 HB3 0.01 -0.03 0.08 -0.04 1.99 2.01 2fpnA1 GLU 57 HG2 0.00 0.11 -0.17 -0.04 2.34 2.24 2fpnA1 GLU 57 HG3 0.01 -0.01 -0.01 -0.04 2.34 2.29 2fpnA1 ASP 58 H -0.00 0.14 0.06 -0.55 8.40 8.05 2fpnA1 ASP 58 HA -0.02 -0.09 0.10 -0.75 4.63 3.86 2fpnA1 ASP 58 HB2 -0.00 0.02 0.13 -0.04 2.71 2.81 2fpnA1 ASP 58 HB3 -0.01 0.02 0.01 -0.04 2.70 2.68 2fpnA1 LYS 59 H -0.01 0.14 0.10 -0.55 8.42 8.10 2fpnA1 LYS 59 HA -0.02 0.06 0.25 -0.75 4.32 3.85 2fpnA1 LYS 59 HB2 -0.01 -0.05 0.16 -0.04 1.87 1.92 2fpnA1 LYS 59 HB3 -0.02 0.03 0.06 -0.04 1.79 1.83 2fpnA1 LYS 59 HG2 -0.01 0.06 -0.03 -0.04 1.46 1.44 2fpnA1 LYS 59 HG3 -0.01 0.04 0.04 -0.04 1.46 1.50 2fpnA1 LYS 59 HD2 -0.01 0.03 -0.01 -0.04 1.69 1.66 2fpnA1 LYS 59 HD3 -0.01 -0.02 0.00 -0.04 1.68 1.61 2fpnA1 LYS 59 HE2 -0.01 0.02 -0.04 -0.04 2.99 2.93 2fpnA1 LYS 59 HE3 -0.01 -0.04 -0.13 -0.04 2.99 2.77 2fpnA1 ILE 61 HA -0.12 -0.05 0.44 -0.75 4.18 3.69 2fpnA1 ILE 61 HB -1.08 -0.03 -0.08 -0.04 1.89 0.65 2fpnA1 ILE 61 HG12 -0.19 -0.07 -0.05 -0.04 1.49 1.13 2fpnA1 ILE 61 HG13 -0.35 0.06 -0.08 -0.04 1.21 0.80 2fpnA1 ILE 61 HG23 -0.16 -0.02 -0.09 -0.04 0.93 0.63 2fpnA1 ILE 61 HD13 -0.40 -0.01 -0.06 -0.04 0.88 0.36 2fpnA1 LYS 62 H 0.00 0.52 0.32 -0.55 8.42 8.71 2fpnA1 LYS 62 HA 0.08 0.29 1.00 -0.75 4.32 4.93 2fpnA1 LYS 62 HB2 0.02 0.01 0.08 -0.04 1.87 1.94 2fpnA1 LYS 62 HB3 0.07 -0.11 0.08 -0.04 1.79 1.78 2fpnA1 LYS 62 HG2 0.05 0.02 -0.10 -0.04 1.46 1.39 2fpnA1 LYS 62 HG3 0.01 0.04 -0.10 -0.04 1.46 1.38 2fpnA1 LYS 62 HD2 0.03 -0.05 -0.06 -0.04 1.69 1.57 2fpnA1 LYS 62 HD3 0.05 -0.02 -0.09 -0.04 1.68 1.58 2fpnA1 LYS 62 HE2 0.07 0.01 -0.10 -0.04 2.99 2.94 2fpnA1 LYS 62 HE3 0.04 0.02 -0.09 -0.04 2.99 2.92 2fpnA1 ALA 63 H 0.23 0.75 0.39 -0.55 8.40 9.22 2fpnA1 ALA 63 HA 0.23 0.20 1.09 -0.75 4.34 5.10 2fpnA1 ALA 63 HB3 0.03 -0.02 0.14 -0.04 1.41 1.52 2fpnA1 ILE 64 H 0.23 0.71 0.32 -0.55 8.25 8.96 2fpnA1 ILE 64 HA 0.09 0.21 1.17 -0.75 4.18 4.89 2fpnA1 ILE 64 HB 0.06 -0.04 0.17 -0.04 1.89 2.04 2fpnA1 ILE 64 HG12 0.06 0.02 -0.11 -0.04 1.49 1.42 2fpnA1 ILE 64 HG13 0.10 -0.11 -0.37 -0.04 1.21 0.80 2fpnA1 ILE 64 HG23 -0.01 0.00 -0.17 -0.04 0.93 0.71 2fpnA1 ILE 64 HD13 0.05 -0.01 -0.08 -0.04 0.88 0.81 2fpnA1 GLY 65 H -0.32 0.89 0.42 -0.55 8.43 8.87 2fpnA1 GLY 65 HA2 -1.10 0.27 0.89 -0.51 4.01 3.55 2fpnA1 GLY 65 HA3 -2.23 -0.01 0.33 -0.51 4.01 1.58 2fpnA1 THR 66 H -0.28 0.48 0.39 -0.55 8.28 8.32 2fpnA1 THR 66 HA 0.10 0.31 1.07 -0.75 4.39 5.12 2fpnA1 THR 66 HB -0.06 0.11 0.05 -0.04 4.32 4.37 2fpnA1 THR 66 HG23 0.00 -0.04 -0.09 -0.04 1.22 1.06 2fpnA1 TYR 67 H 0.16 0.52 0.32 -0.55 8.29 8.73 2fpnA1 TYR 67 HA -0.03 0.08 0.66 -0.75 4.56 4.51 2fpnA1 TYR 67 HB2 -0.31 0.19 -0.30 -0.04 3.06 2.60 2fpnA1 TYR 67 HB3 -0.28 -0.06 -0.15 -0.04 2.98 2.46 2fpnA1 TYR 67 HD2 -0.10 0.05 -0.04 -0.04 7.15 7.02 2fpnA1 TYR 67 HE2 -0.05 -0.02 -0.05 -0.04 6.85 6.69 2fpnA1 THR 68 H -0.34 0.23 0.18 -0.55 8.28 7.80 2fpnA1 THR 68 HA -0.33 0.19 1.26 -0.75 4.39 4.76 2fpnA1 THR 68 HB -0.17 0.04 0.07 -0.04 4.32 4.21 2fpnA1 THR 68 HG23 -0.11 -0.00 -0.01 -0.04 1.22 1.06 2fpnA1 ASP 69 H -0.24 0.70 0.32 -0.55 8.40 8.63 2fpnA1 ASP 69 HA -0.19 0.07 0.70 -0.75 4.63 4.46 2fpnA1 ASP 69 HB2 0.24 0.07 0.06 -0.04 2.71 3.04 2fpnA1 ASP 69 HB3 0.10 0.06 0.21 -0.04 2.70 3.03 2fpnA1 LYS 70 H -0.06 0.27 0.22 -0.55 8.42 8.29 2fpnA1 LYS 70 HA -0.05 0.12 0.41 -0.75 4.32 4.04 2fpnA1 LYS 70 HB2 -0.01 -0.01 0.14 -0.04 1.87 1.95 2fpnA1 LYS 70 HB3 -0.02 0.04 0.02 -0.04 1.79 1.80 2fpnA1 LYS 70 HG2 -0.04 0.02 0.02 -0.04 1.46 1.43 2fpnA1 LYS 70 HG3 -0.07 0.00 -0.06 -0.04 1.46 1.29 2fpnA1 LYS 70 HD2 -0.03 0.03 0.04 -0.04 1.69 1.68 2fpnA1 LYS 70 HD3 -0.01 -0.00 0.08 -0.04 1.68 1.70 2fpnA1 LYS 70 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.95 2fpnA1 LYS 70 HE3 -0.01 0.01 0.01 -0.04 2.99 2.96 2fpnA1 LYS 71 H 0.02 0.05 -0.09 -0.55 8.42 7.84 2fpnA1 LYS 71 HA 0.01 0.15 0.47 -0.75 4.32 4.19 2fpnA1 LYS 71 HB2 0.03 0.01 0.09 -0.04 1.87 1.96 2fpnA1 LYS 71 HB3 0.05 -0.05 0.08 -0.04 1.79 1.82 2fpnA1 LYS 71 HG2 0.03 0.03 -0.25 -0.04 1.46 1.23 2fpnA1 LYS 71 HG3 0.02 0.02 0.04 -0.04 1.46 1.50 2fpnA1 LYS 71 HD2 0.03 0.00 0.00 -0.04 1.69 1.68 2fpnA1 LYS 71 HD3 0.04 -0.01 -0.02 -0.04 1.68 1.64 2fpnA1 LYS 71 HE2 0.03 -0.00 -0.05 -0.04 2.99 2.93 2fpnA1 LYS 71 HE3 0.02 0.01 -0.02 -0.04 2.99 2.96 2fpnA1 ASN 72 H 0.04 0.02 -0.30 -0.55 8.53 7.74 2fpnA1 ASN 72 HA 0.04 0.19 0.63 -0.75 4.76 4.86 2fpnA1 ASN 72 HB2 0.12 -0.04 0.00 -0.04 2.88 2.92 2fpnA1 ASN 72 HB3 0.11 0.03 0.06 -0.04 2.79 2.95 2fpnA1 ASN 72 HD21 0.08 0.02 -0.06 -0.04 7.03 7.03 2fpnA1 ASN 72 HD22 0.12 -0.02 -0.04 -0.04 7.74 7.76 2fpnA1 ARG 73 H -0.00 0.06 -0.44 -0.55 8.46 7.53 2fpnA1 ARG 73 HA -0.04 0.00 0.30 -0.75 4.34 3.84 2fpnA1 ARG 73 HB2 0.01 0.12 -0.14 -0.04 1.90 1.85 2fpnA1 ARG 73 HB3 -0.02 -0.05 0.11 -0.04 1.80 1.80 2fpnA1 ARG 73 HG2 -0.01 -0.02 -0.01 -0.04 1.67 1.58 2fpnA1 ARG 73 HG3 -0.00 0.08 -0.25 -0.04 1.67 1.45 2fpnA1 ARG 73 HD2 -0.00 -0.02 -0.05 -0.04 3.22 3.11 2fpnA1 ARG 73 HD3 -0.00 -0.00 -0.05 -0.04 3.22 3.13 2fpnA1 THR 74 H -0.08 0.43 0.11 -0.55 8.28 8.20 2fpnA1 THR 74 HA -0.26 0.16 0.86 -0.75 4.39 4.40 2fpnA1 THR 74 HB 0.03 0.26 -0.35 -0.04 4.32 4.22 2fpnA1 THR 74 HG23 0.10 -0.06 -0.14 -0.04 1.22 1.07 2fpnA1 SER 75 H -0.48 0.30 0.31 -0.55 8.46 8.04 2fpnA1 SER 75 HA -0.24 0.11 1.31 -0.75 4.49 4.92 2fpnA1 SER 75 HB2 -0.27 0.04 0.11 -0.04 3.95 3.78 2fpnA1 SER 75 HB3 -0.17 0.07 -0.06 -0.04 3.93 3.74 2fpnA1 PHE 76 H 0.11 0.79 0.48 -0.55 8.34 9.17 2fpnA1 PHE 76 HA 0.04 0.43 1.26 -0.75 4.62 5.60 2fpnA1 PHE 76 HB2 0.25 -0.02 0.06 -0.04 3.15 3.40 2fpnA1 PHE 76 HB3 0.39 0.00 -0.02 -0.04 3.06 3.39 2fpnA1 PHE 76 HD2 0.13 0.04 -0.10 -0.04 7.28 7.31 2fpnA1 PHE 76 HE2 0.22 -0.04 -0.11 -0.04 7.38 7.41 2fpnA1 PHE 76 HZ 0.19 -0.02 -0.09 -0.04 7.32 7.36 2fpnA1 ARG 77 H 0.21 0.57 0.43 -0.55 8.46 9.11 2fpnA1 ARG 77 HA 0.08 0.38 1.05 -0.75 4.34 5.09 2fpnA1 ARG 77 HB2 0.01 -0.02 -0.12 -0.04 1.90 1.73 2fpnA1 ARG 77 HB3 0.03 -0.05 0.12 -0.04 1.80 1.85 2fpnA1 ARG 77 HG2 -0.00 -0.03 -0.17 -0.04 1.67 1.42 2fpnA1 ARG 77 HG3 -0.03 0.09 0.02 -0.04 1.67 1.71 2fpnA1 ARG 77 HD2 -0.01 -0.03 -0.09 -0.04 3.22 3.05 2fpnA1 ARG 77 HD3 -0.02 -0.01 -0.08 -0.04 3.22 3.07 2fpnA1 LEU 78 H -0.36 0.65 0.34 -0.55 8.37 8.46 2fpnA1 LEU 78 HA 0.06 0.28 1.10 -0.75 4.35 5.03 2fpnA1 LEU 78 HB2 -1.07 -0.04 0.05 -0.04 1.64 0.55 2fpnA1 LEU 78 HB3 -0.32 -0.04 0.05 -0.04 1.64 1.29 2fpnA1 LEU 78 HG -0.20 -0.03 -0.01 -0.04 1.64 1.35 2fpnA1 LEU 78 HD13 -0.33 -0.00 -0.05 -0.04 0.93 0.51 2fpnA1 LEU 78 HD23 -0.07 0.04 -0.03 -0.04 0.89 0.79 2fpnA1 GLN 79 H 0.11 0.70 0.37 -0.55 8.47 9.10 2fpnA1 GLN 79 HA 0.12 0.36 1.27 -0.75 4.36 5.36 2fpnA1 GLN 79 HB2 0.06 -0.03 -0.19 -0.04 2.15 1.95 2fpnA1 GLN 79 HB3 0.15 -0.03 0.12 -0.04 2.02 2.22 2fpnA1 GLN 79 HG2 0.08 -0.01 -0.26 -0.04 2.40 2.16 2fpnA1 GLN 79 HG3 0.08 0.05 -0.08 -0.04 2.39 2.40 2fpnA1 GLN 79 HE21 0.12 -0.01 -0.10 -0.04 6.97 6.93 2fpnA1 GLN 79 HE22 0.13 0.01 -0.15 -0.04 7.69 7.64 2fpnA1 LEU 80 H 0.11 0.53 0.40 -0.55 8.37 8.86 2fpnA1 LEU 80 HA -0.03 0.24 1.12 -0.75 4.35 4.93 2fpnA1 LEU 80 HB2 -0.11 -0.01 0.17 -0.04 1.64 1.65 2fpnA1 LEU 80 HB3 -0.26 -0.07 0.11 -0.04 1.64 1.38 2fpnA1 LEU 80 HG -0.15 -0.00 -0.04 -0.04 1.64 1.41 2fpnA1 LEU 80 HD13 -0.66 -0.03 -0.06 -0.04 0.93 0.13 2fpnA1 LEU 80 HD23 -0.03 0.02 -0.02 -0.04 0.89 0.81 2fpnA1 VAL 81 H -0.32 0.71 0.42 -0.55 8.24 8.51 2fpnA1 VAL 81 HA -0.00 0.40 1.28 -0.75 4.13 5.06 2fpnA1 VAL 81 HB -1.24 -0.09 0.07 -0.04 2.12 0.83 2fpnA1 VAL 81 HG13 -0.11 0.02 -0.13 -0.04 0.97 0.71 2fpnA1 VAL 81 HG23 -0.14 -0.02 -0.24 -0.04 0.95 0.51 2fpnA1 THR 82 H -0.18 0.78 0.39 -0.55 8.28 8.72 2fpnA1 THR 82 HA -0.05 0.12 0.64 -0.75 4.39 4.34 2fpnA1 THR 82 HB 0.08 -0.06 -0.08 -0.04 4.32 4.21 2fpnA1 THR 82 HG23 -0.52 -0.02 -0.17 -0.04 1.22 0.46 2fpnA1 THR 83 H -0.03 0.44 0.22 -0.55 8.28 8.36 2fpnA1 THR 83 HA -0.06 0.19 1.05 -0.75 4.39 4.82 2fpnA1 THR 83 HB -0.01 -0.00 0.09 -0.04 4.32 4.36 2fpnA1 THR 83 HG23 0.01 0.02 0.01 -0.04 1.22 1.22 2fpnA1 LEU 84 H -0.06 0.47 0.33 -0.55 8.37 8.56 2fpnA1 LEU 84 HA -0.06 0.03 0.22 -0.75 4.35 3.78 2fpnA1 LEU 84 HB2 -0.09 0.10 -0.22 -0.04 1.64 1.39 2fpnA1 LEU 84 HB3 -0.04 -0.07 0.01 -0.04 1.64 1.51 2fpnA1 LEU 84 HG -0.05 -0.04 0.00 -0.04 1.64 1.51 2fpnA1 LEU 84 HD13 -0.04 0.00 -0.07 -0.04 0.93 0.78 2fpnA1 LEU 84 HD23 -0.00 -0.02 -0.08 -0.04 0.89 0.75 2fpnA1 LYS 85 H -0.01 0.26 -0.08 -0.55 8.42 8.02 2fpnA1 LYS 85 HA 0.01 0.09 0.68 -0.75 4.32 4.35 2fpnA1 LYS 85 HB2 -0.01 -0.07 0.12 -0.04 1.87 1.87 2fpnA1 LYS 85 HB3 -0.00 0.02 0.22 -0.04 1.79 1.99 2fpnA1 LYS 85 HG2 -0.01 0.00 -0.05 -0.04 1.46 1.36 2fpnA1 LYS 85 HG3 -0.01 -0.00 0.01 -0.04 1.46 1.41 2fpnA1 LYS 85 HD2 -0.01 -0.00 0.00 -0.04 1.69 1.64 2fpnA1 LYS 85 HD3 -0.01 -0.02 0.04 -0.04 1.68 1.65 2fpnA1 LYS 85 HE2 -0.01 0.01 0.01 -0.04 2.99 2.96 2fpnA1 LYS 85 HE3 -0.01 0.01 -0.00 -0.04 2.99 2.94 2fpnA1 LYS 86 H 0.06 0.37 0.11 -0.55 8.42 8.41 2fpnA1 LYS 86 HA 0.04 -0.01 0.34 -0.75 4.32 3.93 2fpnA1 LYS 86 HB2 0.02 0.21 -0.33 -0.04 1.87 1.74 2fpnA1 LYS 86 HB3 0.04 -0.05 -0.30 -0.04 1.79 1.44 2fpnA1 LYS 86 HG2 0.05 -0.31 -0.04 -0.04 1.46 1.12 2fpnA1 LYS 86 HG3 0.03 0.05 0.11 -0.04 1.46 1.60 2fpnA1 LYS 86 HD2 0.03 0.35 -0.12 -0.04 1.69 1.91 2fpnA1 LYS 86 HD3 0.02 -0.01 0.02 -0.04 1.68 1.67 2fpnA1 LYS 86 HE2 0.02 0.01 0.04 -0.04 2.99 3.01 2fpnA1 LYS 86 HE3 0.02 0.01 -0.05 -0.04 2.99 2.93 2fpnA1 HIS 87 H 0.12 0.17 0.07 -0.55 8.41 8.23 2fpnA1 HIS 87 HA 0.00 0.21 0.91 -0.75 4.63 5.00 2fpnA1 HIS 87 HB2 0.00 -0.02 0.13 -0.04 3.26 3.34 2fpnA1 HIS 87 HB3 0.01 0.03 0.22 -0.04 3.20 3.41 2fpnA1 HIS 87 HD2 0.00 0.09 -0.20 -0.04 6.97 6.82 2fpnA1 HIS 87 HE1 0.00 -0.00 0.02 -0.04 7.75 7.73 2fpnA1 ASN 88 H 0.07 0.01 -0.37 -0.55 8.53 7.70 2fpnA1 ASN 88 HA 0.02 0.12 -0.10 -0.75 4.76 4.04 2fpnA1 ASN 88 HB2 0.04 0.06 0.17 -0.04 2.88 3.10 2fpnA1 ASN 88 HB3 0.03 -0.04 0.16 -0.04 2.79 2.90 2fpnA1 ASN 88 HD21 0.01 -0.02 -0.00 -0.04 7.03 6.98 2fpnA1 ASN 88 HD22 0.01 0.07 0.10 -0.04 7.74 7.88 2fpnA1 PRO 89 HA 0.03 0.04 0.09 -0.51 4.44 4.08 2fpnA1 PRO 89 HB2 0.01 0.07 -0.10 -0.04 2.28 2.22 2fpnA1 PRO 89 HB3 0.02 0.15 0.02 -0.04 2.02 2.17 2fpnA1 PRO 89 HG2 0.01 -0.16 -0.30 -0.04 2.03 1.54 2fpnA1 PRO 89 HG3 0.01 0.00 -0.16 -0.04 2.03 1.84 2fpnA1 PRO 89 HD2 0.01 0.08 -0.08 -0.04 3.68 3.65 2fpnA1 PRO 89 HD3 0.01 0.10 -0.12 -0.04 3.65 3.59 2fpnA1 THR 90 H 0.03 0.14 0.21 -0.55 8.28 8.11 2fpnA1 THR 90 HA 0.05 0.22 1.05 -0.75 4.39 4.95 2fpnA1 THR 90 HB 0.06 0.04 0.10 -0.04 4.32 4.48 2fpnA1 THR 90 HG23 0.03 0.02 0.02 -0.04 1.22 1.25 2fpnA1 SER 91 H 0.07 0.50 0.37 -0.55 8.46 8.85 2fpnA1 SER 91 HA 0.01 0.21 0.94 -0.75 4.49 4.90 2fpnA1 SER 91 HB2 0.06 -0.13 -0.33 -0.04 3.95 3.50 2fpnA1 SER 91 HB3 0.04 0.18 0.12 -0.04 3.93 4.22 2fpnA1 TYR 92 H -0.17 0.63 0.40 -0.55 8.29 8.59 2fpnA1 TYR 92 HA 0.06 0.21 0.60 -0.75 4.56 4.68 2fpnA1 TYR 92 HB2 0.05 -0.00 -0.06 -0.04 3.06 3.01 2fpnA1 TYR 92 HB3 0.04 0.03 -0.12 -0.04 2.98 2.88 2fpnA1 TYR 92 HD2 0.06 0.00 -0.40 -0.04 7.15 6.77 2fpnA1 TYR 92 HE2 0.04 0.01 -0.13 -0.04 6.85 6.72 2fpnA1 LEU 93 H 0.29 0.64 0.37 -0.55 8.37 9.11 2fpnA1 LEU 93 HA 0.18 0.27 1.10 -0.75 4.35 5.13 2fpnA1 LEU 93 HB2 0.16 -0.02 0.03 -0.04 1.64 1.76 2fpnA1 LEU 93 HB3 0.41 -0.00 0.17 -0.04 1.64 2.17 2fpnA1 LEU 93 HG 0.29 -0.03 -0.28 -0.04 1.64 1.57 2fpnA1 LEU 93 HD13 0.06 0.02 -0.10 -0.04 0.93 0.86 2fpnA1 LEU 93 HD23 0.03 0.00 -0.09 -0.04 0.89 0.80 2fpnA1 LEU 94 H 0.28 0.73 0.39 -0.55 8.37 9.22 2fpnA1 LEU 94 HA 0.38 0.27 1.23 -0.75 4.35 5.48 2fpnA1 LEU 94 HB2 0.26 -0.04 -0.04 -0.04 1.64 1.77 2fpnA1 LEU 94 HB3 0.35 0.02 0.14 -0.04 1.64 2.12 2fpnA1 LEU 94 HG 0.16 -0.01 -0.31 -0.04 1.64 1.44 2fpnA1 LEU 94 HD13 0.12 0.05 -0.04 -0.04 0.93 1.02 2fpnA1 LEU 94 HD23 0.04 -0.01 -0.10 -0.04 0.89 0.77 2fpnA1 TYR 95 H 0.54 0.65 0.42 -0.55 8.29 9.34 2fpnA1 TYR 95 HA 0.13 0.26 1.21 -0.75 4.56 5.40 2fpnA1 TYR 95 HB2 -0.10 -0.00 -0.03 -0.04 3.06 2.90 2fpnA1 TYR 95 HB3 0.26 -0.04 0.14 -0.04 2.98 3.30 2fpnA1 TYR 95 HD2 -0.16 0.02 -0.03 -0.04 7.15 6.94 2fpnA1 TYR 95 HE2 -0.23 -0.01 -0.11 -0.04 6.85 6.46 2fpnA1 GLU 96 H 0.04 0.58 0.41 -0.55 8.60 9.09 2fpnA1 GLU 96 HA 0.08 0.29 1.34 -0.75 4.29 5.25 2fpnA1 GLU 96 HB2 0.06 -0.06 -0.21 -0.04 2.09 1.85 2fpnA1 GLU 96 HB3 0.01 -0.04 0.13 -0.04 1.99 2.05 2fpnA1 GLU 96 HG2 -0.09 0.05 -0.15 -0.04 2.34 2.11 2fpnA1 GLU 96 HG3 -0.00 0.04 -0.01 -0.04 2.34 2.32 2fpnA1 GLN 97 H -0.17 0.78 0.40 -0.55 8.47 8.94 2fpnA1 GLN 97 HA -0.38 0.45 1.02 -0.75 4.36 4.70 2fpnA1 GLN 97 HB2 0.16 -0.04 -0.01 -0.04 2.15 2.22 2fpnA1 GLN 97 HB3 -0.17 -0.06 0.16 -0.04 2.02 1.91 2fpnA1 GLN 97 HG2 -0.36 0.07 0.11 -0.04 2.40 2.18 2fpnA1 GLN 97 HG3 -1.06 0.04 0.04 -0.04 2.39 1.37 2fpnA1 GLN 97 HE21 0.50 -0.01 -0.02 -0.04 6.97 7.40 2fpnA1 GLN 97 HE22 0.56 -0.01 -0.01 -0.04 7.69 8.19 2fpnA1 SER 99 HA -0.47 -0.14 0.37 -0.75 4.49 3.51 2fpnA1 SER 99 HB2 -0.58 -0.12 0.31 -0.04 3.95 3.51 2fpnA1 SER 99 HB3 -1.03 0.03 0.16 -0.04 3.93 3.05 2fpnA1 LEU 100 H -0.19 0.08 0.15 -0.55 8.37 7.87 2fpnA1 LEU 100 HA -0.07 0.30 0.97 -0.75 4.35 4.80 2fpnA1 LEU 100 HB2 -0.05 -0.07 0.10 -0.04 1.64 1.58 2fpnA1 LEU 100 HB3 -0.02 0.05 0.26 -0.04 1.64 1.89 2fpnA1 LEU 100 HG -0.12 -0.07 0.02 -0.04 1.64 1.43 2fpnA1 LEU 100 HD13 -0.05 -0.02 0.02 -0.04 0.93 0.84 2fpnA1 LEU 100 HD23 -0.07 0.02 -0.02 -0.04 0.89 0.78 2fpnA1 GLU 101 H 0.02 0.16 -0.25 -0.55 8.60 7.98 2fpnA1 GLU 101 HA 0.10 0.18 0.93 -0.75 4.29 4.75 2fpnA1 GLU 101 HB2 0.05 0.06 0.01 -0.04 2.09 2.17 2fpnA1 GLU 101 HB3 0.04 0.06 -0.02 -0.04 1.99 2.03 2fpnA1 GLU 101 HG2 0.02 0.09 -0.13 -0.04 2.34 2.28 2fpnA1 GLU 101 HG3 -0.01 -0.14 -0.28 -0.04 2.34 1.87 2fpnA1 THR 102 H 0.09 0.11 0.10 -0.55 8.28 8.03 2fpnA1 THR 102 HA -0.27 0.09 0.43 -0.75 4.39 3.88 2fpnA1 THR 102 HB -0.27 0.04 0.06 -0.04 4.32 4.11 2fpnA1 THR 102 HG23 0.30 0.01 0.02 -0.04 1.22 1.50 2fpnA1 PRO 103 HA -0.17 0.20 0.56 -0.51 4.44 4.52 2fpnA1 PRO 103 HB2 -0.35 -0.17 -0.08 -0.04 2.28 1.64 2fpnA1 PRO 103 HB3 -0.20 0.15 0.03 -0.04 2.02 1.97 2fpnA1 PRO 103 HG2 -1.23 -0.18 -0.30 -0.04 2.03 0.27 2fpnA1 PRO 103 HG3 -1.30 0.06 -0.04 -0.04 2.03 0.71 2fpnA1 PRO 103 HD2 -2.82 0.05 0.13 -0.04 3.68 0.99 2fpnA1 PRO 103 HD3 -1.54 0.25 0.19 -0.04 3.65 2.50 2fpnA1 ASP 104 H -0.14 0.16 0.09 -0.55 8.40 7.96 2fpnA1 ASP 104 HA -0.14 0.11 0.44 -0.75 4.63 4.29 2fpnA1 ASP 104 HB2 -0.07 -0.07 0.13 -0.04 2.71 2.65 2fpnA1 ASP 104 HB3 -0.07 -0.00 0.00 -0.04 2.70 2.59 2fpnA1 SER 105 H -0.21 0.11 -0.23 -0.55 8.46 7.58 2fpnA1 SER 105 HA -0.17 0.26 0.82 -0.75 4.49 4.65 2fpnA1 SER 105 HB2 -0.04 0.20 -0.04 -0.04 3.95 4.02 2fpnA1 SER 105 HB3 -0.05 0.01 0.04 -0.04 3.93 3.89 2fpnA1 TRP 106 H -0.30 0.36 0.05 -0.55 7.97 7.53 2fpnA1 TRP 106 HA -0.30 0.12 0.38 -0.75 4.62 4.08 2fpnA1 TRP 106 HB2 -0.13 -0.04 0.08 -0.04 3.23 3.10 2fpnA1 TRP 106 HB3 -0.18 -0.01 -0.17 -0.04 3.23 2.82 2fpnA1 TRP 106 HD1 -0.10 -0.04 0.06 -0.04 7.22 7.11 2fpnA1 TRP 106 HE1 -0.09 0.04 -0.00 -0.04 10.20 10.11 2fpnA1 TRP 106 HE3 -0.61 -0.14 -0.02 -0.04 7.59 6.78 2fpnA1 TRP 106 HZ2 -0.08 0.02 -0.00 -0.04 7.44 7.34 2fpnA1 TRP 106 HZ3 -1.29 0.00 -0.03 -0.04 7.13 5.78 2fpnA1 TRP 106 HH2 -0.08 0.03 -0.08 -0.04 7.19 7.01 2fpnA1 ASN 107 H 0.11 0.12 -0.28 -0.55 8.53 7.94 2fpnA1 ASN 107 HA 0.09 0.06 0.57 -0.75 4.76 4.72 2fpnA1 ASN 107 HB2 0.05 0.02 0.08 -0.04 2.88 2.99 2fpnA1 ASN 107 HB3 0.05 0.04 0.00 -0.04 2.79 2.84 2fpnA1 ASN 107 HD21 0.01 0.14 0.01 -0.04 7.03 7.16 2fpnA1 ASN 107 HD22 0.05 -0.00 0.04 -0.04 7.74 7.79 2fpnA1 ASP 108 H 0.03 0.13 -0.10 -0.55 8.40 7.91 2fpnA1 ASP 108 HA 0.07 0.09 0.49 -0.75 4.63 4.52 2fpnA1 ASP 108 HB2 0.01 0.05 0.06 -0.04 2.71 2.79 2fpnA1 ASP 108 HB3 0.04 0.03 0.05 -0.04 2.70 2.78 2fpnA1 THR 109 H 0.02 0.42 -0.29 -0.55 8.28 7.88 2fpnA1 THR 109 HA 0.12 0.11 0.58 -0.75 4.39 4.45 2fpnA1 THR 109 HB 0.12 0.01 0.06 -0.04 4.32 4.47 2fpnA1 THR 109 HG23 -0.13 0.11 -0.03 -0.04 1.22 1.13 2fpnA1 TYR 110 H 0.20 0.44 -0.03 -0.55 8.29 8.34 2fpnA1 TYR 110 HA 0.15 0.06 0.46 -0.75 4.56 4.48 2fpnA1 TYR 110 HB2 0.04 0.09 0.18 -0.04 3.06 3.33 2fpnA1 TYR 110 HB3 0.06 0.03 0.19 -0.04 2.98 3.22 2fpnA1 TYR 110 HD2 0.05 0.05 -0.10 -0.04 7.15 7.11 2fpnA1 TYR 110 HE2 0.04 0.05 -0.04 -0.04 6.85 6.87 2fpnA1 GLU 111 H 0.23 0.54 -0.13 -0.55 8.60 8.69 2fpnA1 GLU 111 HA 0.20 0.01 0.38 -0.75 4.29 4.13 2fpnA1 GLU 111 HB2 0.12 0.07 0.12 -0.04 2.09 2.36 2fpnA1 GLU 111 HB3 0.11 -0.02 0.05 -0.04 1.99 2.09 2fpnA1 GLU 111 HG2 0.15 -0.02 0.04 -0.04 2.34 2.47 2fpnA1 GLU 111 HG3 0.18 0.02 0.11 -0.04 2.34 2.61 2fpnA1 GLN 112 H 0.16 0.34 -0.46 -0.55 8.47 7.96 2fpnA1 GLN 112 HA 0.12 0.02 0.51 -0.75 4.36 4.25 2fpnA1 GLN 112 HB2 0.17 0.16 0.28 -0.04 2.15 2.72 2fpnA1 GLN 112 HB3 0.22 -0.03 -0.04 -0.04 2.02 2.13 2fpnA1 GLN 112 HG2 0.10 -0.04 0.05 -0.04 2.40 2.46 2fpnA1 GLN 112 HG3 0.12 -0.01 0.03 -0.04 2.39 2.48 2fpnA1 GLN 112 HE21 0.13 -0.02 -0.04 -0.04 6.97 6.99 2fpnA1 GLN 112 HE22 0.20 0.02 -0.04 -0.04 7.69 7.83 2fpnA1 PHE 113 H 0.31 0.61 -0.05 -0.55 8.34 8.66 2fpnA1 PHE 113 HA 0.26 0.00 0.40 -0.75 4.62 4.53 2fpnA1 PHE 113 HB2 0.15 0.06 0.11 -0.04 3.15 3.43 2fpnA1 PHE 113 HB3 -0.06 0.08 0.19 -0.04 3.06 3.23 2fpnA1 PHE 113 HD2 0.03 0.00 -0.12 -0.04 7.28 7.15 2fpnA1 PHE 113 HE2 -0.29 0.00 -0.25 -0.04 7.38 6.81 2fpnA1 PHE 113 HZ 0.03 0.14 -0.19 -0.04 7.32 7.26 2fpnA1 GLU 114 H 0.12 0.65 -0.05 -0.55 8.60 8.78 2fpnA1 GLU 114 HA 0.03 0.01 0.35 -0.75 4.29 3.92 2fpnA1 GLU 114 HB2 -0.00 0.01 0.10 -0.04 2.09 2.16 2fpnA1 GLU 114 HB3 0.09 0.08 0.11 -0.04 1.99 2.23 2fpnA1 GLU 114 HG2 0.07 0.00 -0.14 -0.04 2.34 2.24 2fpnA1 GLU 114 HG3 0.07 -0.01 0.05 -0.04 2.34 2.41 2fpnA1 ARG 115 H 0.07 0.46 -0.34 -0.55 8.46 8.10 2fpnA1 ARG 115 HA 0.03 -0.03 0.43 -0.75 4.34 4.02 2fpnA1 ARG 115 HB2 0.06 0.17 0.21 -0.04 1.90 2.30 2fpnA1 ARG 115 HB3 0.06 0.19 0.24 -0.04 1.80 2.25 2fpnA1 ARG 115 HG2 0.02 -0.02 -0.09 -0.04 1.67 1.54 2fpnA1 ARG 115 HG3 0.03 -0.05 0.04 -0.04 1.67 1.65 2fpnA1 ARG 115 HD2 0.05 -0.00 0.01 -0.04 3.22 3.23 2fpnA1 ARG 115 HD3 0.03 -0.04 -0.01 -0.04 3.22 3.16 2fpnA1 GLU 116 H 0.01 0.64 0.00 -0.55 8.60 8.71 2fpnA1 GLU 116 HA -0.08 -0.02 0.38 -0.75 4.29 3.82 2fpnA1 GLU 116 HB2 -0.01 0.11 0.13 -0.04 2.09 2.28 2fpnA1 GLU 116 HB3 -0.27 -0.05 -0.05 -0.04 1.99 1.58 2fpnA1 GLU 116 HG2 -0.06 -0.04 0.00 -0.04 2.34 2.21 2fpnA1 GLU 116 HG3 0.01 -0.01 0.04 -0.04 2.34 2.34 2fpnA1 THR 117 H -0.14 0.65 -0.26 -0.55 8.28 7.98 2fpnA1 THR 117 HA -0.15 -0.03 0.42 -0.75 4.39 3.88 2fpnA1 THR 117 HB -0.05 0.30 0.23 -0.04 4.32 4.76 2fpnA1 THR 117 HG23 0.18 -0.02 -0.06 -0.04 1.22 1.28 2fpnA1 LEU 118 H 0.00 0.48 -0.14 -0.55 8.37 8.17 2fpnA1 LEU 118 HA 0.08 0.03 0.30 -0.75 4.35 4.00 2fpnA1 LEU 118 HB2 0.02 0.17 0.12 -0.04 1.64 1.91 2fpnA1 LEU 118 HB3 0.03 -0.07 -0.02 -0.04 1.64 1.55 2fpnA1 LEU 118 HG 0.05 0.18 0.11 -0.04 1.64 1.94 2fpnA1 LEU 118 HD13 0.04 -0.02 -0.01 -0.04 0.93 0.89 2fpnA1 LEU 118 HD23 0.05 0.01 -0.11 -0.04 0.89 0.80 2fpnA1 GLY 119 H -0.04 0.32 -0.21 -0.55 8.43 7.95 2fpnA1 GLY 119 HA2 -0.01 0.02 0.48 -0.51 4.01 3.99 2fpnA1 GLY 119 HA3 -0.03 0.02 0.28 -0.51 4.01 3.77 2fpnA1 ILE 120 H -0.22 0.45 -0.17 -0.55 8.25 7.76 2fpnA1 ILE 120 HA -0.10 0.04 0.38 -0.75 4.18 3.75 2fpnA1 ILE 120 HB -0.82 0.08 0.15 -0.04 1.89 1.25 2fpnA1 ILE 120 HG12 -0.78 -0.05 -0.04 -0.04 1.49 0.59 2fpnA1 ILE 120 HG13 -0.42 0.03 -0.02 -0.04 1.21 0.76 2fpnA1 ILE 120 HG23 -0.83 -0.03 -0.18 -0.04 0.93 -0.14 2fpnA1 ILE 120 HD13 -1.27 -0.03 -0.14 -0.04 0.88 -0.60 2fpnA1 PHE 121 H -0.05 0.56 0.03 -0.55 8.34 8.33 2fpnA1 PHE 121 HA 0.01 0.11 0.50 -0.75 4.62 4.49 2fpnA1 PHE 121 HB2 0.00 0.11 0.03 -0.04 3.15 3.25 2fpnA1 PHE 121 HB3 0.02 -0.06 -0.03 -0.04 3.06 2.96 2fpnA1 PHE 121 HD2 0.02 0.04 -0.05 -0.04 7.28 7.25 2fpnA1 PHE 121 HE2 0.11 -0.03 -0.12 -0.04 7.38 7.30 2fpnA1 PHE 121 HZ 0.18 -0.02 -0.16 -0.04 7.32 7.28 2fpnA1 GLN 122 H 0.07 0.37 -0.17 -0.55 8.47 8.20 2fpnA1 GLN 122 HA 0.05 0.13 0.34 -0.75 4.36 4.12 2fpnA1 GLN 122 HB2 0.06 0.12 -0.23 -0.04 2.15 2.05 2fpnA1 GLN 122 HB3 0.04 -0.10 0.23 -0.04 2.02 2.15 2fpnA1 GLN 122 HG2 0.02 -0.01 0.04 -0.04 2.40 2.41 2fpnA1 GLN 122 HG3 0.02 0.14 -0.18 -0.04 2.39 2.33 2fpnA1 GLN 122 HE21 -0.00 -0.08 -0.01 -0.04 6.97 6.84 2fpnA1 GLN 122 HE22 -0.00 0.05 -0.00 -0.04 7.69 7.70 2fpnA1 GLU 123 H 0.12 0.25 -0.21 -0.55 8.60 8.22 2fpnA1 GLU 123 HA 0.05 0.02 0.47 -0.75 4.29 4.06 2fpnA1 GLU 123 HB2 0.04 0.01 0.09 -0.04 2.09 2.19 2fpnA1 GLU 123 HB3 0.07 0.17 -0.39 -0.04 1.99 1.80 2fpnA1 GLU 123 HG2 0.00 -0.09 -0.53 -0.04 2.34 1.68 2fpnA1 GLU 123 HG3 0.01 0.06 -0.17 -0.04 2.34 2.21 2fpnA1 LYS 124 H 0.03 0.13 0.10 -0.55 8.42 8.13 2fpnA1 LYS 124 HA 0.05 0.08 0.68 -0.75 4.32 4.37 2fpnA1 LYS 124 HB2 0.03 -0.02 0.10 -0.04 1.87 1.94 2fpnA1 LYS 124 HB3 0.02 -0.01 0.13 -0.04 1.79 1.88 2fpnA1 LYS 124 HG2 0.04 0.10 -0.03 -0.04 1.46 1.53 2fpnA1 LYS 124 HG3 0.04 -0.01 0.02 -0.04 1.46 1.46 2fpnA1 LYS 124 HD2 0.02 -0.02 -0.02 -0.04 1.69 1.63 2fpnA1 LYS 124 HD3 0.02 -0.01 -0.10 -0.04 1.68 1.54 2fpnA1 LYS 124 HE2 0.03 0.06 -0.07 -0.04 2.99 2.98 2fpnA1 LYS 124 HE3 0.04 -0.01 -0.02 -0.04 2.99 2.95 2fpnA1 VAL 125 H 0.04 0.18 0.17 -0.55 8.24 8.08 2fpnA1 VAL 125 HA -0.03 0.19 0.91 -0.75 4.13 4.45 2fpnA1 VAL 125 HB -0.14 0.04 0.07 -0.04 2.12 2.06 2fpnA1 VAL 125 HG13 -0.31 0.02 -0.27 -0.04 0.97 0.38 2fpnA1 VAL 125 HG23 -0.01 -0.00 -0.11 -0.04 0.95 0.79 2fpnA1 VAL 126 H 0.01 0.14 0.20 -0.55 8.24 8.03 2fpnA1 VAL 126 HA -0.04 0.05 0.53 -0.75 4.13 3.92 2fpnA1 VAL 126 HB 0.05 -0.01 0.16 -0.04 2.12 2.28 2fpnA1 VAL 126 HG13 -0.51 0.00 -0.11 -0.04 0.97 0.31 2fpnA1 VAL 126 HG23 -0.04 0.00 0.06 -0.04 0.95 0.94 2fpnA1 ILE 127 H -0.04 0.14 0.25 -0.55 8.25 8.04 2fpnA1 ILE 127 HA 0.17 0.27 1.02 -0.75 4.18 4.89 2fpnA1 ILE 127 HB 0.10 -0.06 0.17 -0.04 1.89 2.06 2fpnA1 ILE 127 HG12 0.22 0.05 -0.12 -0.04 1.49 1.60 2fpnA1 ILE 127 HG13 0.09 0.12 -0.09 -0.04 1.21 1.30 2fpnA1 ILE 127 HG23 0.00 -0.01 -0.15 -0.04 0.93 0.73 2fpnA1 ILE 127 HD13 0.05 -0.02 -0.00 -0.04 0.88 0.87 2fpnA1 PHE 128 H 0.14 0.81 0.41 -0.55 8.34 9.14 2fpnA1 PHE 128 HA -0.06 0.12 0.90 -0.75 4.62 4.83 2fpnA1 PHE 128 HB2 -1.08 0.01 0.15 -0.04 3.15 2.20 2fpnA1 PHE 128 HB3 -0.17 0.04 -0.07 -0.04 3.06 2.82 2fpnA1 PHE 128 HD2 -0.14 0.10 -0.05 -0.04 7.28 7.14 2fpnA1 PHE 128 HE2 -0.02 -0.00 -0.04 -0.04 7.38 7.27 2fpnA1 PHE 128 HZ -0.01 -0.02 -0.03 -0.04 7.32 7.21 2fpnA1 THR 129 H 0.08 0.20 0.23 -0.55 8.28 8.23 2fpnA1 THR 129 HA 0.11 0.29 1.09 -0.75 4.39 5.12 2fpnA1 THR 129 HB 0.05 0.01 0.07 -0.04 4.32 4.41 2fpnA1 THR 129 HG23 0.07 0.01 -0.12 -0.04 1.22 1.14 2fpnA1 CYS 130 H 0.13 0.62 0.33 -0.55 8.50 9.04 2fpnA1 CYS 130 HA 0.07 0.11 0.84 -0.75 4.58 4.84 2fpnA1 CYS 130 HB2 0.12 -0.00 -0.18 -0.04 2.97 2.87 2fpnA1 CYS 130 HB3 0.10 -0.00 0.05 -0.04 2.97 3.08 2fpnA1 LEU 131 H 0.04 0.19 0.17 -0.55 8.37 8.21 2fpnA1 LEU 131 HA 0.13 0.26 1.18 -0.75 4.35 5.17 2fpnA1 LEU 131 HB2 -0.02 -0.03 0.09 -0.04 1.64 1.64 2fpnA1 LEU 131 HB3 0.02 0.06 0.00 -0.04 1.64 1.68 2fpnA1 LEU 131 HG -0.17 0.10 0.01 -0.04 1.64 1.54 2fpnA1 LEU 131 HD13 -0.02 -0.00 0.03 -0.04 0.93 0.89 2fpnA1 LEU 131 HD23 -0.08 -0.02 -0.13 -0.04 0.89 0.62 2fpnA1 ASN 132 H 0.09 0.88 0.42 -0.55 8.53 9.38 2fpnA1 ASN 132 HA 0.04 0.15 0.91 -0.75 4.76 5.10 2fpnA1 ASN 132 HB2 0.05 -0.00 0.13 -0.04 2.88 3.02 2fpnA1 ASN 132 HB3 0.04 -0.01 0.03 -0.04 2.79 2.81 2fpnA1 ASN 132 HD21 0.02 -0.03 -0.10 -0.04 7.03 6.88 2fpnA1 ASN 132 HD22 0.02 0.03 0.07 -0.04 7.74 7.82 2fpnA1 GLY 133 H 0.04 0.31 0.23 -0.55 8.43 8.46 2fpnA1 GLY 133 HA2 0.06 -0.04 0.88 -0.51 4.01 4.40 2fpnA1 GLY 133 HA3 -0.00 0.10 0.24 -0.51 4.01 3.84 2fpnA1 HIS 134 H -0.23 0.60 0.35 -0.55 8.41 8.58 2fpnA1 HIS 134 HA 0.01 0.16 0.96 -0.75 4.63 5.00 2fpnA1 HIS 134 HB2 0.01 0.02 0.14 -0.04 3.26 3.39 2fpnA1 HIS 134 HB3 0.02 -0.01 -0.05 -0.04 3.20 3.12 2fpnA1 HIS 134 HD2 0.02 0.18 -0.29 -0.04 6.97 6.83 2fpnA1 HIS 134 HE1 0.03 0.04 -0.10 -0.04 7.75 7.67 2fpnA1 LEU 135 H 0.11 0.12 0.18 -0.55 8.37 8.23 2fpnA1 LEU 135 HA -0.01 0.25 0.89 -0.75 4.35 4.73 2fpnA1 LEU 135 HB2 0.05 -0.04 0.08 -0.04 1.64 1.68 2fpnA1 LEU 135 HB3 0.03 0.07 0.04 -0.04 1.64 1.74 2fpnA1 LEU 135 HG 0.02 -0.06 -0.04 -0.04 1.64 1.52 2fpnA1 LEU 135 HD13 0.02 -0.00 -0.00 -0.04 0.93 0.90 2fpnA1 LEU 135 HD23 -0.01 0.03 -0.04 -0.04 0.89 0.84 2fpnA1 ASP 136 H 0.02 0.27 0.22 -0.55 8.40 8.36 2fpnA1 ASP 136 HA 0.10 0.00 0.48 -0.75 4.63 4.46 2fpnA1 ASP 136 HB2 0.02 0.12 0.19 -0.04 2.71 2.99 2fpnA1 ASP 136 HB3 0.02 0.04 0.23 -0.04 2.70 2.94 2fpnA1 ASP 137 H 0.08 0.15 0.23 -0.55 8.40 8.31 2fpnA1 ASP 137 HA 0.05 0.17 0.62 -0.75 4.63 4.71 2fpnA1 ASP 137 HB2 0.04 -0.01 0.19 -0.04 2.71 2.89 2fpnA1 ASP 137 HB3 0.04 0.07 0.12 -0.04 2.70 2.89 2fpnA1 ASN 138 H 0.04 0.04 -0.31 -0.55 8.53 7.75 2fpnA1 ASN 138 HA 0.02 0.16 0.40 -0.75 4.76 4.59 2fpnA1 ASN 138 HB2 0.03 0.01 0.05 -0.04 2.88 2.92 2fpnA1 ASN 138 HB3 0.02 -0.01 0.06 -0.04 2.79 2.81 2fpnA1 ASN 138 HD21 0.01 0.05 -0.18 -0.04 7.03 6.87 2fpnA1 ASN 138 HD22 0.01 -0.05 -0.07 -0.04 7.74 7.59 2fpnA1 ASN 140 HA -0.02 -0.06 0.30 -0.75 4.76 4.22 2fpnA1 ASN 140 HB2 0.01 -0.04 -0.08 -0.04 2.88 2.73 2fpnA1 ASN 140 HB3 0.00 0.01 -0.19 -0.04 2.79 2.58 2fpnA1 ASN 140 HD21 0.03 0.05 -0.08 -0.04 7.03 6.99 2fpnA1 ASN 140 HD22 0.01 -0.03 -0.06 -0.04 7.74 7.63 2fpnA1 ILE 141 H -0.01 0.64 0.63 -0.55 8.25 8.96 2fpnA1 ILE 141 HA -0.01 0.09 0.58 -0.75 4.18 4.08 2fpnA1 ILE 141 HB 0.00 -0.01 0.10 -0.04 1.89 1.94 2fpnA1 ILE 141 HG12 -0.00 0.03 0.02 -0.04 1.49 1.50 2fpnA1 ILE 141 HG13 -0.01 -0.05 0.05 -0.04 1.21 1.16 2fpnA1 ILE 141 HG23 0.00 0.11 0.07 -0.04 0.93 1.07 2fpnA1 ILE 141 HD13 -0.00 0.00 0.02 -0.04 0.88 0.86 2fpnA1 VAL 142 H -0.03 0.25 -0.01 -0.55 8.24 7.91 2fpnA1 VAL 142 HA -0.02 0.11 0.53 -0.75 4.13 4.00 2fpnA1 VAL 142 HB -0.02 0.02 -0.05 -0.04 2.12 2.03 2fpnA1 VAL 142 HG13 0.01 0.02 -0.00 -0.04 0.97 0.95 2fpnA1 VAL 142 HG23 -0.04 0.02 -0.08 -0.04 0.95 0.81 2fpnA1 LEU 143 H -0.08 0.14 -0.27 -0.55 8.37 7.61 2fpnA1 LEU 143 HA -0.09 0.08 0.32 -0.75 4.35 3.90 2fpnA1 LEU 143 HB2 -0.08 0.10 -0.08 -0.04 1.64 1.55 2fpnA1 LEU 143 HB3 -0.10 0.00 -0.17 -0.04 1.64 1.32 2fpnA1 LEU 143 HG -0.20 -0.03 -0.11 -0.04 1.64 1.26 2fpnA1 LEU 143 HD13 -0.07 0.02 -0.25 -0.04 0.93 0.58 2fpnA1 LEU 143 HD23 -0.25 -0.01 -0.28 -0.04 0.89 0.30 2fpnA1 GLN 144 H -0.04 0.38 -0.36 -0.55 8.47 7.90 2fpnA1 GLN 144 HA -0.04 0.03 0.35 -0.75 4.36 3.95 2fpnA1 GLN 144 HB2 -0.02 0.16 0.16 -0.04 2.15 2.40 2fpnA1 GLN 144 HB3 -0.02 -0.03 -0.04 -0.04 2.02 1.89 2fpnA1 GLN 144 HG2 -0.02 -0.03 0.05 -0.04 2.40 2.35 2fpnA1 GLN 144 HG3 -0.03 -0.06 0.01 -0.04 2.39 2.27 2fpnA1 GLN 144 HE21 0.00 -0.05 -0.01 -0.04 6.97 6.87 2fpnA1 GLN 144 HE22 -0.00 -0.02 0.06 -0.04 7.69 7.69 2fpnA1 LYS 145 H -0.02 0.34 -0.28 -0.55 8.42 7.91 2fpnA1 LYS 145 HA -0.01 0.04 0.44 -0.75 4.32 4.03 2fpnA1 LYS 145 HB2 -0.01 0.07 0.14 -0.04 1.87 2.03 2fpnA1 LYS 145 HB3 -0.02 0.06 0.20 -0.04 1.79 2.00 2fpnA1 LYS 145 HG2 -0.01 0.01 -0.00 -0.04 1.46 1.42 2fpnA1 LYS 145 HG3 -0.01 -0.02 -0.18 -0.04 1.46 1.21 2fpnA1 LYS 145 HD2 -0.01 -0.08 0.09 -0.04 1.69 1.65 2fpnA1 LYS 145 HD3 -0.01 0.03 0.03 -0.04 1.68 1.68 2fpnA1 LYS 145 HE2 -0.01 0.03 -0.01 -0.04 2.99 2.95 2fpnA1 LYS 145 HE3 -0.01 -0.01 -0.05 -0.04 2.99 2.88 2fpnA1 LYS 146 H -0.02 0.52 -0.08 -0.55 8.42 8.28 2fpnA1 LYS 146 HA -0.01 -0.00 0.39 -0.75 4.32 3.94 2fpnA1 LYS 146 HB2 -0.01 0.04 0.08 -0.04 1.87 1.94 2fpnA1 LYS 146 HB3 -0.02 0.09 0.04 -0.04 1.79 1.86 2fpnA1 LYS 146 HG2 0.00 0.03 -0.07 -0.04 1.46 1.39 2fpnA1 LYS 146 HG3 0.00 -0.03 -0.17 -0.04 1.46 1.23 2fpnA1 LYS 146 HD2 -0.00 -0.00 -0.03 -0.04 1.69 1.61 2fpnA1 LYS 146 HD3 -0.01 -0.05 0.04 -0.04 1.68 1.62 2fpnA1 LYS 146 HE2 0.00 0.01 -0.02 -0.04 2.99 2.94 2fpnA1 LYS 146 HE3 0.01 0.03 -0.04 -0.04 2.99 2.94 2fpnA1 ALA 147 H -0.02 0.45 -0.31 -0.55 8.40 7.97 2fpnA1 ALA 147 HA 0.01 -0.01 0.34 -0.75 4.34 3.93 2fpnA1 ALA 147 HB3 -0.02 0.07 0.01 -0.04 1.41 1.43 2fpnA1 ASN 148 H -0.00 0.46 -0.27 -0.55 8.53 8.17 2fpnA1 ASN 148 HA 0.02 0.02 0.46 -0.75 4.76 4.49 2fpnA1 ASN 148 HB2 -0.01 0.19 0.21 -0.04 2.88 3.23 2fpnA1 ASN 148 HB3 -0.00 -0.05 -0.01 -0.04 2.79 2.69 2fpnA1 ASN 148 HD21 0.01 -0.01 -0.01 -0.04 7.03 6.99 2fpnA1 ASN 148 HD22 0.01 -0.03 0.03 -0.04 7.74 7.71 2fpnA1 GLN 149 H -0.01 0.61 0.04 -0.55 8.47 8.56 2fpnA1 GLN 149 HA -0.03 -0.01 0.42 -0.75 4.36 3.99 2fpnA1 GLN 149 HB2 -0.02 0.11 0.18 -0.04 2.15 2.38 2fpnA1 GLN 149 HB3 -0.03 -0.04 0.02 -0.04 2.02 1.93 2fpnA1 GLN 149 HG2 -0.02 -0.04 0.02 -0.04 2.40 2.32 2fpnA1 GLN 149 HG3 -0.02 0.20 0.02 -0.04 2.39 2.56 2fpnA1 GLN 149 HE21 -0.01 -0.02 -0.03 -0.04 6.97 6.87 2fpnA1 GLN 149 HE22 -0.02 -0.01 -0.02 -0.04 7.69 7.60 2fpnA1 LEU 150 H 0.00 0.74 -0.25 -0.55 8.37 8.31 2fpnA1 LEU 150 HA -0.08 -0.01 0.42 -0.75 4.35 3.93 2fpnA1 LEU 150 HB2 0.06 0.18 0.12 -0.04 1.64 1.96 2fpnA1 LEU 150 HB3 0.18 -0.05 -0.10 -0.04 1.64 1.63 2fpnA1 LEU 150 HG 0.02 0.02 -0.04 -0.04 1.64 1.60 2fpnA1 LEU 150 HD13 0.06 -0.02 -0.14 -0.04 0.93 0.78 2fpnA1 LEU 150 HD23 0.08 -0.02 -0.06 -0.04 0.89 0.86 2fpnA1 LEU 151 H 0.05 0.58 -0.01 -0.55 8.37 8.44 2fpnA1 LEU 151 HA 0.15 -0.01 0.39 -0.75 4.35 4.12 2fpnA1 LEU 151 HB2 0.06 0.03 0.08 -0.04 1.64 1.77 2fpnA1 LEU 151 HB3 0.04 0.05 0.21 -0.04 1.64 1.90 2fpnA1 LEU 151 HG 0.04 0.03 -0.15 -0.04 1.64 1.52 2fpnA1 LEU 151 HD13 0.06 -0.01 -0.16 -0.04 0.93 0.78 2fpnA1 LEU 151 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.83 2fpnA1 ASN 152 H -0.00 0.76 -0.14 -0.55 8.53 8.60 2fpnA1 ASN 152 HA -0.01 0.06 0.60 -0.75 4.76 4.66 2fpnA1 ASN 152 HB2 -0.03 0.08 0.09 -0.04 2.88 2.97 2fpnA1 ASN 152 HB3 -0.03 -0.05 -0.00 -0.04 2.79 2.66 2fpnA1 ASN 152 HD21 -0.01 -0.06 -0.05 -0.04 7.03 6.87 2fpnA1 ASN 152 HD22 -0.01 -0.03 -0.12 -0.04 7.74 7.54 2fpnA1 GLU 153 H -0.10 0.74 0.02 -0.55 8.60 8.72 2fpnA1 GLU 153 HA -0.20 -0.06 0.46 -0.75 4.29 3.73 2fpnA1 GLU 153 HB2 -0.23 0.12 0.19 -0.04 2.09 2.13 2fpnA1 GLU 153 HB3 -0.62 0.21 0.10 -0.04 1.99 1.64 2fpnA1 GLU 153 HG2 -0.38 -0.07 -0.01 -0.04 2.34 1.83 2fpnA1 GLU 153 HG3 -0.69 -0.01 -0.03 -0.04 2.34 1.57 2fpnA1 PHE 154 H -0.01 0.09 -1.01 -0.55 8.34 6.85 2fpnA1 PHE 154 HA -0.07 0.12 0.87 -0.75 4.62 4.80 2fpnA1 PHE 154 HB2 -0.02 0.07 0.03 -0.04 3.15 3.20 2fpnA1 PHE 154 HB3 -0.12 -0.10 -0.09 -0.04 3.06 2.71 2fpnA1 PHE 154 HD2 0.05 0.05 -0.10 -0.04 7.28 7.24 2fpnA1 PHE 154 HE2 0.11 -0.06 -0.09 -0.04 7.38 7.31 2fpnA1 PHE 154 HZ 0.09 -0.06 -0.08 -0.04 7.32 7.23 2fpnA1 GLN 155 H 0.07 1.20 0.33 -0.55 8.47 9.53 2fpnA1 GLN 155 HA -0.00 -0.02 0.31 -0.75 4.36 3.89 2fpnA1 GLN 155 HB2 -0.11 0.04 0.37 -0.04 2.15 2.40 2fpnA1 GLN 155 HB3 -0.05 -0.12 0.25 -0.04 2.02 2.06 2fpnA1 GLN 155 HG2 -0.04 -0.13 0.01 -0.04 2.40 2.20 2fpnA1 GLN 155 HG3 -0.04 0.00 -0.82 -0.04 2.39 1.49 2fpnA1 GLN 155 HE21 -0.07 -0.13 0.02 -0.04 6.97 6.75 2fpnA1 GLN 155 HE22 -0.05 0.04 -0.05 -0.04 7.69 7.59 2fpnA1 VAL 159 HA 0.01 0.02 0.39 -0.75 4.13 3.80 2fpnA1 VAL 159 HB 0.10 -0.15 0.12 -0.04 2.12 2.15 2fpnA1 VAL 159 HG13 0.05 -0.00 -0.41 -0.04 0.97 0.57 2fpnA1 VAL 159 HG23 0.07 -0.02 0.16 -0.04 0.95 1.12 2fpnA1 GLU 160 H -0.07 -0.09 0.21 -0.55 8.60 8.11 2fpnA1 GLU 160 HA -1.78 -0.08 0.40 -0.75 4.29 2.07 2fpnA1 GLU 160 HB2 -0.53 -0.15 0.18 -0.04 2.09 1.55 2fpnA1 GLU 160 HB3 -0.44 0.14 0.53 -0.04 1.99 2.17 2fpnA1 GLU 160 HG2 -0.26 0.24 -0.04 -0.04 2.34 2.23 2fpnA1 GLU 160 HG3 -0.19 -0.07 -0.33 -0.04 2.34 1.71 2fpnA1 HIS 161 H -0.32 0.17 0.25 -0.55 8.41 7.96 2fpnA1 HIS 161 HA 0.00 0.17 -0.13 -0.75 4.63 3.91 2fpnA1 HIS 161 HB2 0.01 0.06 0.06 -0.04 3.26 3.35 2fpnA1 HIS 161 HB3 -0.00 0.03 0.12 -0.04 3.20 3.31 2fpnA1 HIS 161 HD2 0.00 0.01 0.06 -0.04 6.97 7.00 2fpnA1 HIS 161 HE1 -0.01 0.08 -0.03 -0.04 7.75 7.74 2fpnA1 VAL 162 H 0.11 0.23 0.28 -0.55 8.24 8.31 2fpnA1 VAL 162 HA 0.10 0.11 0.50 -0.75 4.13 4.08 2fpnA1 VAL 162 HB 0.08 0.14 -0.04 -0.04 2.12 2.26 2fpnA1 VAL 162 HG13 0.17 -0.14 -0.04 -0.04 0.97 0.92 2fpnA1 VAL 162 HG23 0.13 0.05 0.13 -0.04 0.95 1.21 2fpnA1 VAL 163 H 0.11 0.18 0.12 -0.55 8.24 8.10 2fpnA1 VAL 163 HA 0.08 0.08 0.23 -0.75 4.13 3.77 2fpnA1 VAL 163 HB 0.04 -0.07 0.16 -0.04 2.12 2.20 2fpnA1 VAL 163 HG13 0.03 -0.00 -0.06 -0.04 0.97 0.91 2fpnA1 VAL 163 HG23 0.02 0.58 0.51 -0.04 0.95 2.02 2fpnA1 GLU 164 H 0.15 0.56 0.26 -0.55 8.60 9.02 2fpnA1 GLU 164 HA 0.07 0.19 0.76 -0.75 4.29 4.56 2fpnA1 GLU 164 HB2 0.25 -0.06 -0.06 -0.04 2.09 2.18 2fpnA1 GLU 164 HB3 0.06 -0.01 0.04 -0.04 1.99 2.04 2fpnA1 GLU 164 HG2 0.03 0.01 0.08 -0.04 2.34 2.41 2fpnA1 GLU 164 HG3 0.08 0.16 -0.15 -0.04 2.34 2.38 2fpnA1 PRO 165 HA 0.04 0.05 0.36 -0.51 4.44 4.38 2fpnA1 PRO 165 HB2 0.04 -0.05 0.11 -0.04 2.28 2.34 2fpnA1 PRO 165 HB3 0.03 0.05 0.10 -0.04 2.02 2.15 2fpnA1 PRO 165 HG2 0.01 0.04 0.09 -0.04 2.03 2.13 2fpnA1 PRO 165 HG3 0.02 0.05 0.12 -0.04 2.03 2.18 2fpnA1 PRO 165 HD2 0.03 0.09 0.21 -0.04 3.68 3.96 2fpnA1 PRO 165 HD3 0.03 0.15 0.21 -0.04 3.65 4.00 2fpnA1 ASN 166 H 0.09 0.05 -0.14 -0.55 8.53 7.98 2fpnA1 ASN 166 HA 0.05 0.21 0.78 -0.75 4.76 5.05 2fpnA1 ASN 166 HB2 0.06 -0.03 0.11 -0.04 2.88 2.98 2fpnA1 ASN 166 HB3 0.07 -0.16 0.33 -0.04 2.79 2.99 2fpnA1 ASN 166 HD21 0.04 0.02 0.05 -0.04 7.03 7.11 2fpnA1 ASN 166 HD22 0.05 -0.03 0.03 -0.04 7.74 7.74 2fpnA1 PHE 167 H 0.13 0.59 0.13 -0.55 8.34 8.64 2fpnA1 PHE 167 HA -0.00 0.28 0.91 -0.75 4.62 5.06 2fpnA1 PHE 167 HB2 0.01 -0.02 -0.32 -0.04 3.15 2.78 2fpnA1 PHE 167 HB3 0.01 -0.12 -0.08 -0.04 3.06 2.83 2fpnA1 PHE 167 HD2 0.01 -0.05 -0.11 -0.04 7.28 7.10 2fpnA1 PHE 167 HE2 0.02 -0.00 -0.13 -0.04 7.38 7.22 2fpnA1 PHE 167 HZ 0.01 0.02 -0.12 -0.04 7.32 7.20 2fpnA1 VAL 168 H -0.81 0.63 0.27 -0.55 8.24 7.77 2fpnA1 VAL 168 HA -0.19 0.01 0.49 -0.75 4.13 3.68 2fpnA1 VAL 168 HB -0.10 0.07 -0.11 -0.04 2.12 1.94 2fpnA1 VAL 168 HG13 -0.15 -0.01 -0.19 -0.04 0.97 0.58 2fpnA1 VAL 168 HG23 -0.06 0.03 -0.10 -0.04 0.95 0.78 2fpnA1 SER 169 H -0.12 0.15 0.10 -0.55 8.46 8.05 2fpnA1 SER 169 HA -0.16 0.40 1.00 -0.75 4.49 4.98 2fpnA1 SER 169 HB2 0.01 0.08 0.08 -0.04 3.95 4.08 2fpnA1 SER 169 HB3 -0.11 -0.09 -0.12 -0.04 3.93 3.57 2fpnA1 ILE 170 H -0.02 0.55 0.34 -0.55 8.25 8.57 2fpnA1 ILE 170 HA 0.00 0.18 0.81 -0.75 4.18 4.42 2fpnA1 ILE 170 HB 0.02 -0.08 0.06 -0.04 1.89 1.85 2fpnA1 ILE 170 HG12 0.05 0.00 -0.11 -0.04 1.49 1.39 2fpnA1 ILE 170 HG13 0.04 0.07 -0.19 -0.04 1.21 1.09 2fpnA1 ILE 170 HG23 0.03 -0.06 -0.16 -0.04 0.93 0.70 2fpnA1 ILE 170 HD13 -0.02 -0.03 -0.31 -0.04 0.88 0.48 2fpnA1 SER 171 H -0.06 1.30 0.46 -0.55 8.46 9.62 2fpnA1 SER 171 HA 0.02 0.26 0.98 -0.75 4.49 4.99 2fpnA1 SER 171 HB2 -0.08 0.01 0.03 -0.04 3.95 3.87 2fpnA1 SER 171 HB3 0.00 0.03 0.03 -0.04 3.93 3.96 2fpnA1 ALA 172 H 0.06 0.36 0.34 -0.55 8.40 8.61 2fpnA1 ALA 172 HA 0.04 0.42 0.91 -0.75 4.34 4.96 2fpnA1 ALA 172 HB3 0.05 -0.05 0.02 -0.04 1.41 1.39 2fpnA1 PHE 173 H 0.12 0.35 0.36 -0.55 8.34 8.62 2fpnA1 PHE 173 HA 0.01 0.13 0.75 -0.75 4.62 4.75 2fpnA1 PHE 173 HB2 0.02 0.22 0.09 -0.04 3.15 3.43 2fpnA1 PHE 173 HB3 -0.01 -0.03 0.06 -0.04 3.06 3.03 2fpnA1 PHE 173 HD2 0.02 0.02 -0.26 -0.04 7.28 7.02 2fpnA1 PHE 173 HE2 0.01 -0.05 -0.12 -0.04 7.38 7.18 2fpnA1 PHE 173 HZ -0.04 -0.03 -0.09 -0.04 7.32 7.12 2fpnA1 THR 174 H -0.89 0.32 0.18 -0.55 8.28 7.34 2fpnA1 THR 174 HA -0.28 0.17 0.50 -0.75 4.39 4.02 2fpnA1 THR 174 HB -0.46 -0.08 0.07 -0.04 4.32 3.81 2fpnA1 THR 174 HG23 -0.19 0.12 -0.06 -0.04 1.22 1.05 2fpnA1 ASP 175 H -0.22 0.20 0.12 -0.55 8.40 7.95 2fpnA1 ASP 175 HA -0.22 0.17 0.49 -0.75 4.63 4.32 2fpnA1 ASP 175 HB2 -0.08 0.01 0.09 -0.04 2.71 2.69 2fpnA1 ASP 175 HB3 -0.02 0.01 0.16 -0.04 2.70 2.82 2fpnA1 GLU 176 H -0.56 0.02 -1.08 -0.55 8.60 6.43 2fpnA1 GLU 176 HA -0.26 0.09 0.49 -0.75 4.29 3.86 2fpnA1 GLU 176 HB2 -1.28 0.02 -0.01 -0.04 2.09 0.78 2fpnA1 GLU 176 HB3 -0.69 -0.01 0.03 -0.04 1.99 1.27 2fpnA1 GLU 176 HG2 -0.33 -0.15 -0.05 -0.04 2.34 1.76 2fpnA1 GLU 176 HG3 -0.42 0.17 0.04 -0.04 2.34 2.08 2fpnA1 TRP 177 H -0.30 0.30 -0.04 -0.55 7.97 7.38 2fpnA1 TRP 177 HA -0.04 0.19 0.93 -0.75 4.62 4.94 2fpnA1 TRP 177 HB2 -0.08 0.14 0.00 -0.04 3.23 3.25 2fpnA1 TRP 177 HB3 -0.04 -0.17 0.15 -0.04 3.23 3.13 2fpnA1 TRP 177 HD1 -0.03 0.09 -0.05 -0.04 7.22 7.18 2fpnA1 TRP 177 HE1 -0.03 -0.00 -0.06 -0.04 10.20 10.07 2fpnA1 TRP 177 HE3 -0.13 0.08 0.02 -0.04 7.59 7.52 2fpnA1 TRP 177 HZ2 -0.23 -0.01 -0.07 -0.04 7.44 7.10 2fpnA1 TRP 177 HZ3 -0.18 0.28 0.01 -0.04 7.13 7.21 2fpnA1 TRP 177 HH2 -0.51 -0.02 -0.08 -0.04 7.19 6.54 2fpnA1 GLU 178 H 0.22 0.07 0.15 -0.55 8.60 8.50 2fpnA1 GLU 178 HA 0.11 0.11 0.44 -0.75 4.29 4.20 2fpnA1 GLU 178 HB2 0.10 -0.03 0.11 -0.04 2.09 2.23 2fpnA1 GLU 178 HB3 0.10 -0.00 0.06 -0.04 1.99 2.10 2fpnA1 GLU 178 HG2 0.09 -0.01 0.12 -0.04 2.34 2.50 2fpnA1 GLU 178 HG3 0.06 -0.01 0.05 -0.04 2.34 2.39 2fpnA1 GLU 179 H 0.19 -0.02 -0.02 -0.55 8.60 8.20 2fpnA1 GLU 179 HA 0.32 0.11 0.36 -0.75 4.29 4.33 2fpnA1 GLU 179 HB2 0.06 0.05 0.10 -0.04 2.09 2.25 2fpnA1 GLU 179 HB3 0.07 -0.04 0.06 -0.04 1.99 2.04 2fpnA1 GLU 179 HG2 0.08 0.08 -0.05 -0.04 2.34 2.41 2fpnA1 GLU 179 HG3 -0.03 0.04 -0.07 -0.04 2.34 2.24 2fpnA1 TYR 180 H 0.08 0.34 0.30 -0.55 8.29 8.46 2fpnA1 TYR 180 HA 0.19 0.19 0.65 -0.75 4.56 4.83 2fpnA1 TYR 180 HB2 0.20 -0.00 0.09 -0.04 3.06 3.31 2fpnA1 TYR 180 HB3 0.29 0.16 -0.23 -0.04 2.98 3.16 2fpnA1 TYR 180 HD2 0.08 -0.02 -0.03 -0.04 7.15 7.14 2fpnA1 TYR 180 HE2 0.04 -0.02 -0.02 -0.04 6.85 6.81 2fpnA1 ILE 181 H 0.16 0.35 0.17 -0.55 8.25 8.38 2fpnA1 ILE 181 HA -0.30 0.11 0.05 -0.75 4.18 3.28 2fpnA1 ILE 181 HB -0.04 0.07 0.05 -0.04 1.89 1.93 2fpnA1 ILE 181 HG12 0.02 -0.06 -0.21 -0.04 1.49 1.21 2fpnA1 ILE 181 HG13 0.06 0.06 0.05 -0.04 1.21 1.34 2fpnA1 ILE 181 HG23 -0.12 0.02 0.08 -0.04 0.93 0.87 2fpnA1 ILE 181 HD13 0.01 0.01 -0.15 -0.04 0.88 0.71 2fpnA1 THR 183 HA -0.01 -0.09 0.19 -0.75 4.39 3.72 2fpnA1 THR 183 HB -0.01 -0.05 0.10 -0.04 4.32 4.31 2fpnA1 THR 183 HG23 0.00 0.01 -0.11 -0.04 1.22 1.07 2fpnA1 SER 184 H -0.04 0.03 0.05 -0.55 8.46 7.95 2fpnA1 SER 184 HA -0.07 -0.09 0.23 -0.75 4.49 3.81 2fpnA1 SER 184 HB2 -0.09 0.05 0.00 -0.04 3.95 3.87 2fpnA1 SER 184 HB3 -0.05 -0.05 0.10 -0.04 3.93 3.89 2fpnA1 LYS 185 H -0.09 -0.04 0.06 -0.55 8.42 7.79 2fpnA1 LYS 185 HA -0.10 -0.04 0.42 -0.75 4.32 3.84 2fpnA1 LYS 185 HB2 -0.08 -0.02 0.14 -0.04 1.87 1.87 2fpnA1 LYS 185 HB3 -0.10 -0.11 0.08 -0.04 1.79 1.62 2fpnA1 LYS 185 HG2 -0.15 -0.10 -0.10 -0.04 1.46 1.07 2fpnA1 LYS 185 HG3 -0.56 0.23 0.27 -0.04 1.46 1.36 2fpnA1 LYS 185 HD2 0.08 0.04 0.08 -0.04 1.69 1.85 2fpnA1 LYS 185 HD3 -0.01 -0.05 0.04 -0.04 1.68 1.62 2fpnA1 LYS 185 HE2 -0.02 -0.04 0.00 -0.04 2.99 2.89 2fpnA1 LYS 185 HE3 0.07 0.03 0.04 -0.04 2.99 3.08 2fpnA1 HIS 186 H -0.17 0.60 -0.09 -0.55 8.41 8.22 2fpnA1 HIS 186 HA -0.01 -0.11 0.04 -0.75 4.63 3.79 2fpnA1 HIS 186 HB2 -0.01 -0.30 0.18 -0.04 3.26 3.09 2fpnA1 HIS 186 HB3 -0.02 -0.06 -0.13 -0.04 3.20 2.95 2fpnA1 HIS 186 HD2 -0.01 -0.22 0.04 -0.04 6.97 6.73 2fpnA1 HIS 186 HE1 -0.01 -0.13 0.01 -0.04 7.75 7.58 2fpnA1 LYS 187 H 0.15 0.22 0.06 -0.55 8.42 8.30 2fpnA1 LYS 187 HA 0.11 0.50 0.63 -0.75 4.32 4.81 2fpnA1 LYS 187 HB2 0.02 -0.06 -0.42 -0.04 1.87 1.38 2fpnA1 LYS 187 HB3 -0.08 -0.00 -0.02 -0.04 1.79 1.65 2fpnA1 LYS 187 HG2 0.17 0.03 -0.00 -0.04 1.46 1.61 2fpnA1 LYS 187 HG3 0.01 -0.06 -0.09 -0.04 1.46 1.27 2fpnA1 LYS 187 HD2 -0.45 -0.02 -0.03 -0.04 1.69 1.15 2fpnA1 LYS 187 HD3 -0.12 0.08 -0.01 -0.04 1.68 1.58 2fpnA1 LYS 187 HE2 0.04 0.01 -0.04 -0.04 2.99 2.96 2fpnA1 LYS 187 HE3 -0.11 -0.05 -0.04 -0.04 2.99 2.75 2fpnA1 ASN 189 HA 0.14 -0.11 0.29 -0.75 4.76 4.33 2fpnA1 ASN 189 HB2 0.23 -0.12 0.09 -0.04 2.88 3.04 2fpnA1 ASN 189 HB3 0.29 -0.13 0.23 -0.04 2.79 3.14 2fpnA1 ASN 189 HD21 -0.23 -0.00 0.13 -0.04 7.03 6.89 2fpnA1 ASN 189 HD22 0.22 0.61 0.16 -0.04 7.74 8.68 2fpnA1 LEU 190 H 0.12 0.35 0.27 -0.55 8.37 8.55 2fpnA1 LEU 190 HA 0.10 0.24 0.62 -0.75 4.35 4.55 2fpnA1 LEU 190 HB2 0.16 -0.01 -0.29 -0.04 1.64 1.46 2fpnA1 LEU 190 HB3 0.07 -0.09 -0.03 -0.04 1.64 1.55 2fpnA1 LEU 190 HG 0.18 0.00 -0.06 -0.04 1.64 1.73 2fpnA1 LEU 190 HD13 0.00 -0.02 -0.16 -0.04 0.93 0.71 2fpnA1 LEU 190 HD23 -0.04 0.00 -0.18 -0.04 0.89 0.63 2fpnA1 GLN 191 H 0.02 0.46 0.19 -0.55 8.47 8.60 2fpnA1 GLN 191 HA 0.03 0.51 1.15 -0.75 4.36 5.29 2fpnA1 GLN 191 HB2 0.02 -0.17 0.12 -0.04 2.15 2.07 2fpnA1 GLN 191 HB3 0.02 -0.04 0.01 -0.04 2.02 1.96 2fpnA1 GLN 191 HG2 0.03 0.05 0.04 -0.04 2.40 2.48 2fpnA1 GLN 191 HG3 0.03 0.11 0.13 -0.04 2.39 2.62 2fpnA1 GLN 191 HE21 0.03 -0.04 -0.06 -0.04 6.97 6.86 2fpnA1 GLN 191 HE22 0.04 0.09 -0.03 -0.04 7.69 7.74 2fpnA1 ILE 192 H 0.02 0.42 0.25 -0.55 8.25 8.38 2fpnA1 ILE 192 HA 0.02 0.25 1.02 -0.75 4.18 4.71 2fpnA1 ILE 192 HB 0.01 -0.06 0.06 -0.04 1.89 1.86 2fpnA1 ILE 192 HG12 0.05 -0.02 -0.19 -0.04 1.49 1.29 2fpnA1 ILE 192 HG13 0.08 0.03 -0.10 -0.04 1.21 1.18 2fpnA1 ILE 192 HG23 0.03 -0.00 -0.08 -0.04 0.93 0.84 2fpnA1 ILE 192 HD13 0.15 0.01 -0.18 -0.04 0.88 0.81 2fpnA1 ALA 193 H -0.01 0.45 0.29 -0.55 8.40 8.58 2fpnA1 ALA 193 HA -0.18 0.31 1.04 -0.75 4.34 4.76 2fpnA1 ALA 193 HB3 -0.03 -0.01 -0.03 -0.04 1.41 1.29 2fpnA1 LEU 194 H -0.26 0.53 0.32 -0.55 8.37 8.41 2fpnA1 LEU 194 HA -0.05 0.45 1.03 -0.75 4.35 5.03 2fpnA1 LEU 194 HB2 -0.13 -0.08 0.07 -0.04 1.64 1.45 2fpnA1 LEU 194 HB3 -0.08 -0.00 0.02 -0.04 1.64 1.53 2fpnA1 LEU 194 HG -0.06 0.08 0.01 -0.04 1.64 1.64 2fpnA1 LEU 194 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.85 2fpnA1 LEU 194 HD23 -0.04 -0.04 -0.22 -0.04 0.89 0.55 2fpnA1 ARG 195 H 0.02 0.48 0.25 -0.55 8.46 8.66 2fpnA1 ARG 195 HA 0.08 0.20 0.78 -0.75 4.34 4.65 2fpnA1 ARG 195 HB2 0.28 0.01 -0.07 -0.04 1.90 2.08 2fpnA1 ARG 195 HB3 0.13 -0.05 0.02 -0.04 1.80 1.85 2fpnA1 ARG 195 HG2 0.12 0.11 -0.13 -0.04 1.67 1.73 2fpnA1 ARG 195 HG3 0.17 0.08 0.15 -0.04 1.67 2.04 2fpnA1 ARG 195 HD2 0.13 -0.02 -0.05 -0.04 3.22 3.24 2fpnA1 ARG 195 HD3 0.09 -0.02 -0.02 -0.04 3.22 3.23 2fpnA1 SER 196 H 0.08 0.44 0.19 -0.55 8.46 8.62 2fpnA1 SER 196 HA 0.03 0.11 0.25 -0.75 4.49 4.13 2fpnA1 SER 196 HB2 -0.01 0.01 0.11 -0.04 3.95 4.01 2fpnA1 SER 196 HB3 0.08 0.00 0.20 -0.04 3.93 4.18 2fpnA1 HIS 203 HA 0.02 -0.05 -0.10 -0.75 4.63 3.75 2fpnA1 HIS 203 HB2 0.01 -0.03 0.03 -0.04 3.26 3.23 2fpnA1 HIS 203 HB3 0.01 0.05 -0.15 -0.04 3.20 3.07 2fpnA1 HIS 203 HD2 0.01 0.01 0.00 -0.04 6.97 6.95 2fpnA1 HIS 203 HE1 0.02 -0.01 0.09 -0.04 7.75 7.81 2fpnA1 THR 204 H 0.15 0.55 -0.04 -0.55 8.28 8.39 2fpnA1 THR 204 HA 0.06 0.08 0.38 -0.75 4.39 4.16 2fpnA1 THR 204 HB 0.08 -0.07 0.16 -0.04 4.32 4.45 2fpnA1 THR 204 HG23 0.06 0.00 -0.20 -0.04 1.22 1.04 2fpnA1 VAL 205 H 0.04 0.21 0.25 -0.55 8.24 8.19 2fpnA1 VAL 205 HA 0.01 0.28 0.93 -0.75 4.13 4.60 2fpnA1 VAL 205 HB 0.03 -0.03 0.06 -0.04 2.12 2.14 2fpnA1 VAL 205 HG13 0.03 -0.01 -0.10 -0.04 0.97 0.85 2fpnA1 VAL 205 HG23 0.03 0.03 -0.19 -0.04 0.95 0.78 2fpnA1 THR 206 H 0.01 0.46 0.26 -0.55 8.28 8.46 2fpnA1 THR 206 HA 0.02 0.11 0.79 -0.75 4.39 4.56 2fpnA1 THR 206 HB 0.02 -0.03 0.08 -0.04 4.32 4.36 2fpnA1 THR 206 HG23 0.02 0.00 -0.09 -0.04 1.22 1.11 2fpnA1 VAL 207 H 0.01 0.22 0.13 -0.55 8.24 8.05 2fpnA1 VAL 207 HA 0.01 0.40 1.05 -0.75 4.13 4.83 2fpnA1 VAL 207 HB 0.02 -0.03 0.06 -0.04 2.12 2.13 2fpnA1 VAL 207 HG13 -0.00 0.01 -0.12 -0.04 0.97 0.82 2fpnA1 VAL 207 HG23 0.09 -0.01 -0.22 -0.04 0.95 0.77 2fpnA1 GLY 208 H -0.03 0.46 0.23 -0.55 8.43 8.54 2fpnA1 GLY 208 HA2 -0.09 0.14 0.81 -0.51 4.01 4.36 2fpnA1 GLY 208 HA3 -0.04 -0.03 -0.04 -0.51 4.01 3.38 2fpnA1 THR 209 H -0.14 0.24 0.04 -0.55 8.28 7.87 2fpnA1 THR 209 HA -0.08 0.33 0.66 -0.75 4.39 4.55 2fpnA1 THR 209 HB -0.36 -0.07 0.04 -0.04 4.32 3.88 2fpnA1 THR 209 HG23 -0.32 0.09 -0.04 -0.04 1.22 0.90 2fpnA1 PRO 210 HA 0.03 0.26 0.25 -0.51 4.44 4.47 2fpnA1 PRO 210 HB2 0.01 0.02 -0.14 -0.04 2.28 2.12 2fpnA1 PRO 210 HB3 0.07 0.03 -0.08 -0.04 2.02 2.00 2fpnA1 PRO 210 HG2 -0.03 0.06 -0.01 -0.04 2.03 2.01 2fpnA1 PRO 210 HG3 0.01 -0.02 -0.08 -0.04 2.03 1.90 2fpnA1 PRO 210 HD2 -0.04 0.04 0.32 -0.04 3.68 3.96 2fpnA1 PRO 210 HD3 -0.06 0.12 0.05 -0.04 3.65 3.71 2fpnA1 ILE 211 H -0.02 0.22 -0.18 -0.55 8.25 7.73 2fpnA1 ILE 211 HA 0.01 0.23 0.50 -0.75 4.18 4.17 2fpnA1 ILE 211 HB 0.02 0.06 -0.06 -0.04 1.89 1.87 2fpnA1 ILE 211 HG12 -0.00 -0.08 -0.62 -0.04 1.49 0.74 2fpnA1 ILE 211 HG13 0.01 0.05 -0.31 -0.04 1.21 0.91 2fpnA1 ILE 211 HG23 0.03 0.02 -0.26 -0.04 0.93 0.68 2fpnA1 ILE 211 HD13 -0.01 -0.01 -0.12 -0.04 0.88 0.69 2fpnA1 VAL 212 H 0.01 0.19 -0.03 -0.55 8.24 7.86 2fpnA1 VAL 212 HA -0.01 0.07 0.78 -0.75 4.13 4.22 2fpnA1 VAL 212 HB 0.00 -0.01 -0.09 -0.04 2.12 1.98 2fpnA1 VAL 212 HG13 0.03 0.00 -0.03 -0.04 0.97 0.93 2fpnA1 VAL 212 HG23 0.02 0.02 -0.16 -0.04 0.95 0.79 2fpnA1 THR 213 H -0.01 0.12 -0.00 -0.55 8.28 7.84 2fpnA1 THR 213 HA 0.00 0.15 0.40 -0.75 4.39 4.19 2fpnA1 THR 213 HB -0.01 -0.23 0.14 -0.04 4.32 4.18 2fpnA1 THR 213 HG23 -0.01 0.01 -0.09 -0.04 1.22 1.10 2fpnA1 THR 214 H -0.00 0.10 0.00 -0.55 8.28 7.83 2fpnA1 THR 214 HA 0.00 0.15 0.33 -0.75 4.39 4.12 2fpnA1 THR 214 HB 0.01 0.17 -0.34 -0.04 4.32 4.11 2fpnA1 THR 214 HG23 0.00 -0.01 -0.06 -0.04 1.22 1.12