============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 54.596 21.376 10.357 -99.200 -91.000 PHE 4 1.000 57.875 25.076 13.030 -99.200 -91.000 PHE 6 1.000 61.528 26.649 18.315 -99.200 -91.000 TYR 24 0.840 60.758 35.788 4.060 -99.200 -91.000 PHE 31 1.000 68.101 39.058 15.387 -99.200 -91.000 TYR 40 0.840 73.501 43.666 23.491 -99.200 -91.000 TRP 43 1.040 70.773 42.662 11.668 -99.200 -91.000 TRP6 43 1.020 70.257 40.424 11.112 -99.200 -91.000 TRP 58 1.040 76.995 38.415 28.962 -99.200 -91.000 TRP6 58 1.020 79.086 37.386 29.327 -99.200 -91.000 TYR 72 0.840 56.192 30.079 15.647 -99.200 -91.000 TRP 75 1.040 55.639 27.956 9.758 -99.200 -91.000 TRP6 75 1.020 56.230 26.584 7.937 -99.200 -91.000 HIS 89 0.900 70.566 20.477 23.364 -99.200 -91.000 TYR 94 0.840 64.618 29.782 29.174 -99.200 -91.000 PHE 105 1.000 61.498 38.492 20.812 -99.200 -91.000 PHE 118 1.000 70.706 35.040 37.465 -99.200 -91.000 PHE 159 1.000 71.669 11.255 29.236 -99.200 -91.000 HIS 170 0.900 83.497 20.307 41.293 -99.200 -91.000 HIS 199 0.900 71.592 22.189 30.764 -99.200 -91.000 PHE 219 1.000 57.079 31.235 32.587 -99.200 -91.000 TYR 250 0.840 68.721 21.641 39.867 -99.200 -91.000 TRP 255 1.040 67.602 16.749 20.881 -99.200 -91.000 TRP6 255 1.020 65.964 18.447 20.977 -99.200 -91.000 TYR 261 0.840 56.148 12.644 24.769 -99.200 -91.000 HIS 269 0.900 60.944 17.230 7.956 -99.200 -91.000 TYR 271 0.840 59.569 21.559 8.295 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g1hA1 GLN 3 HA 0.03 -0.05 0.25 -0.75 4.36 3.82 2g1hA1 GLN 3 HB2 -0.02 0.08 0.05 -0.04 2.15 2.21 2g1hA1 GLN 3 HB3 -0.06 -0.05 -0.12 -0.04 2.02 1.75 2g1hA1 GLN 3 HG2 -0.05 0.00 0.04 -0.04 2.40 2.35 2g1hA1 GLN 3 HG3 -0.11 0.01 0.01 -0.04 2.39 2.27 2g1hA1 GLN 3 HE21 -0.08 0.04 0.03 -0.04 6.97 6.91 2g1hA1 GLN 3 HE22 -0.05 -0.01 0.03 -0.04 7.69 7.62 2g1hA1 PHE 4 H -0.39 0.15 0.20 -0.55 8.34 7.75 2g1hA1 PHE 4 HA 0.05 0.18 1.17 -0.75 4.62 5.26 2g1hA1 PHE 4 HB2 0.21 0.04 0.07 -0.04 3.15 3.42 2g1hA1 PHE 4 HB3 0.16 0.00 -0.04 -0.04 3.06 3.14 2g1hA1 PHE 4 HD2 0.14 -0.01 -0.18 -0.04 7.28 7.19 2g1hA1 PHE 4 HE2 -0.19 0.03 -0.11 -0.04 7.38 7.07 2g1hA1 PHE 4 HZ 0.32 0.16 -0.21 -0.04 7.32 7.54 2g1hA1 ALA 5 H 0.19 0.62 0.45 -0.55 8.40 9.11 2g1hA1 ALA 5 HA 0.01 0.12 0.96 -0.75 4.34 4.67 2g1hA1 ALA 5 HB3 0.05 0.01 -0.07 -0.04 1.41 1.36 2g1hA1 PHE 6 H 0.19 0.51 0.36 -0.55 8.34 8.85 2g1hA1 PHE 6 HA -0.04 0.25 1.09 -0.75 4.62 5.16 2g1hA1 PHE 6 HB2 0.11 0.03 0.20 -0.04 3.15 3.45 2g1hA1 PHE 6 HB3 -0.45 -0.04 0.01 -0.04 3.06 2.54 2g1hA1 PHE 6 HD2 0.25 0.02 -0.14 -0.04 7.28 7.37 2g1hA1 PHE 6 HE2 -0.50 0.01 -0.08 -0.04 7.38 6.77 2g1hA1 PHE 6 HZ -2.60 0.05 -0.09 -0.04 7.32 4.65 2g1hA1 VAL 7 H -0.07 0.66 0.31 -0.55 8.24 8.60 2g1hA1 VAL 7 HA 0.23 0.47 1.11 -0.75 4.13 5.19 2g1hA1 VAL 7 HB 0.51 -0.08 -0.10 -0.04 2.12 2.41 2g1hA1 VAL 7 HG13 0.24 0.01 -0.28 -0.04 0.97 0.90 2g1hA1 VAL 7 HG23 0.11 -0.01 -0.26 -0.04 0.95 0.75 2g1hA1 PHE 8 H 0.38 0.37 0.34 -0.55 8.34 8.87 2g1hA1 PHE 8 HA 0.03 0.26 0.76 -0.75 4.62 4.92 2g1hA1 PHE 8 HB2 0.09 -0.09 0.14 -0.04 3.15 3.25 2g1hA1 PHE 8 HB3 0.05 0.04 0.03 -0.04 3.06 3.14 2g1hA1 PHE 8 HD2 0.08 0.11 -0.09 -0.04 7.28 7.33 2g1hA1 PHE 8 HE2 0.08 0.06 -0.09 -0.04 7.38 7.39 2g1hA1 PHE 8 HZ 0.09 0.06 -0.09 -0.04 7.32 7.34 2g1hA1 PRO 9 HA -0.11 0.01 0.48 -0.51 4.44 4.30 2g1hA1 PRO 9 HB2 -0.06 0.11 -0.01 -0.04 2.28 2.28 2g1hA1 PRO 9 HB3 -0.09 -0.12 0.00 -0.04 2.02 1.77 2g1hA1 PRO 9 HG2 0.02 0.05 -0.04 -0.04 2.03 2.02 2g1hA1 PRO 9 HG3 -0.02 0.15 -0.14 -0.04 2.03 1.97 2g1hA1 PRO 9 HD2 0.11 0.21 0.09 -0.04 3.68 4.05 2g1hA1 PRO 9 HD3 -0.01 0.18 -0.02 -0.04 3.65 3.76 2g1hA1 GLY 10 H -0.13 0.11 0.13 -0.55 8.43 8.00 2g1hA1 GLY 10 HA2 0.03 0.17 0.86 -0.51 4.01 4.56 2g1hA1 GLY 10 HA3 0.04 0.08 0.48 -0.51 4.01 4.10 2g1hA1 GLN 11 H 0.02 0.08 0.17 -0.55 8.47 8.19 2g1hA1 GLN 11 HA -0.02 -0.01 0.35 -0.75 4.36 3.92 2g1hA1 GLN 11 HB2 0.00 -0.01 0.16 -0.04 2.15 2.26 2g1hA1 GLN 11 HB3 -0.00 0.02 0.10 -0.04 2.02 2.10 2g1hA1 GLN 11 HG2 -0.02 0.07 -0.01 -0.04 2.40 2.40 2g1hA1 GLN 11 HG3 -0.03 -0.00 -0.02 -0.04 2.39 2.30 2g1hA1 GLN 11 HE21 -0.07 0.04 -0.05 -0.04 6.97 6.85 2g1hA1 GLN 11 HE22 -0.05 0.04 0.07 -0.04 7.69 7.70 2g1hA1 GLY 12 H -0.04 0.11 0.17 -0.55 8.43 8.13 2g1hA1 GLY 12 HA2 -0.05 0.07 0.38 -0.51 4.01 3.90 2g1hA1 GLY 12 HA3 -0.06 0.20 0.81 -0.51 4.01 4.45 2g1hA1 SER 13 H -0.05 0.32 -0.07 -0.55 8.46 8.11 2g1hA1 SER 13 HA -0.04 0.09 0.47 -0.75 4.49 4.26 2g1hA1 SER 13 HB2 -0.03 0.10 -0.03 -0.04 3.95 3.94 2g1hA1 SER 13 HB3 -0.03 0.18 -0.03 -0.04 3.93 4.01 2g1hA1 GLN 14 H -0.03 -0.10 -0.16 -0.55 8.47 7.64 2g1hA1 GLN 14 HA -0.00 0.05 0.45 -0.75 4.36 4.10 2g1hA1 GLN 14 HB2 -0.02 0.05 -0.02 -0.04 2.15 2.12 2g1hA1 GLN 14 HB3 -0.01 -0.03 0.03 -0.04 2.02 1.96 2g1hA1 GLN 14 HG2 -0.04 0.02 -0.30 -0.04 2.40 2.04 2g1hA1 GLN 14 HG3 -0.05 0.15 -0.18 -0.04 2.39 2.27 2g1hA1 GLN 14 HE21 -0.05 -0.07 0.06 -0.04 6.97 6.87 2g1hA1 GLN 14 HE22 -0.06 0.10 -0.05 -0.04 7.69 7.63 2g1hA1 THR 15 H -0.02 0.22 0.20 -0.55 8.28 8.12 2g1hA1 THR 15 HA -0.04 0.09 0.28 -0.75 4.39 3.96 2g1hA1 THR 15 HB -0.04 0.05 0.08 -0.04 4.32 4.37 2g1hA1 THR 15 HG23 -0.03 0.02 -0.25 -0.04 1.22 0.92 2g1hA1 VAL 16 H -0.06 0.09 0.09 -0.55 8.24 7.81 2g1hA1 VAL 16 HA -0.12 0.25 0.62 -0.75 4.13 4.13 2g1hA1 VAL 16 HB -0.07 -0.04 0.09 -0.04 2.12 2.06 2g1hA1 VAL 16 HG13 -0.11 0.02 -0.38 -0.04 0.97 0.46 2g1hA1 VAL 16 HG23 -0.08 -0.02 -0.05 -0.04 0.95 0.75 2g1hA1 GLY 17 H -0.20 0.80 0.47 -0.55 8.43 8.95 2g1hA1 GLY 17 HA2 -0.20 0.01 0.40 -0.51 4.01 3.71 2g1hA1 GLY 17 HA3 -0.10 0.10 0.70 -0.51 4.01 4.20 2g1hA1 MET 18 H -0.11 0.44 -0.00 -0.55 8.47 8.25 2g1hA1 MET 18 HA -0.01 -0.02 0.34 -0.75 4.52 4.07 2g1hA1 MET 18 HB2 0.03 -0.07 0.13 -0.04 2.15 2.20 2g1hA1 MET 18 HB3 -0.02 0.02 0.18 -0.04 2.03 2.17 2g1hA1 MET 18 HG2 -0.06 0.12 0.19 -0.04 2.63 2.83 2g1hA1 MET 18 HG3 0.05 -0.02 -0.09 -0.04 2.56 2.47 2g1hA1 MET 18 HE3 0.09 0.02 -0.06 -0.04 2.10 2.10 2g1hA1 LEU 19 H 0.06 0.13 0.24 -0.55 8.37 8.25 2g1hA1 LEU 19 HA 0.13 0.06 0.41 -0.75 4.35 4.20 2g1hA1 LEU 19 HB2 0.34 0.30 0.04 -0.04 1.64 2.28 2g1hA1 LEU 19 HB3 0.30 -0.07 0.17 -0.04 1.64 2.01 2g1hA1 LEU 19 HG 0.28 0.03 -0.15 -0.04 1.64 1.76 2g1hA1 LEU 19 HD13 0.25 0.02 0.01 -0.04 0.93 1.18 2g1hA1 LEU 19 HD23 0.11 -0.02 -0.02 -0.04 0.89 0.93 2g1hA1 ALA 20 H 0.06 0.43 -0.31 -0.55 8.40 8.03 2g1hA1 ALA 20 HA 0.31 0.07 0.30 -0.75 4.34 4.26 2g1hA1 ALA 20 HB3 0.02 0.03 0.10 -0.04 1.41 1.52 2g1hA1 ASP 21 H 0.08 0.10 -0.07 -0.55 8.40 7.96 2g1hA1 ASP 21 HA 0.06 0.12 0.40 -0.75 4.63 4.47 2g1hA1 ASP 21 HB2 0.06 -0.03 0.15 -0.04 2.71 2.85 2g1hA1 ASP 21 HB3 0.05 0.02 0.05 -0.04 2.70 2.78 2g1hA1 MET 22 H 0.12 0.08 -0.22 -0.55 8.47 7.91 2g1hA1 MET 22 HA 0.19 0.03 0.37 -0.75 4.52 4.36 2g1hA1 MET 22 HB2 0.12 0.03 0.03 -0.04 2.15 2.29 2g1hA1 MET 22 HB3 0.15 0.09 0.06 -0.04 2.03 2.29 2g1hA1 MET 22 HG2 0.07 0.04 -0.08 -0.04 2.63 2.63 2g1hA1 MET 22 HG3 0.17 0.00 -0.10 -0.04 2.56 2.59 2g1hA1 MET 22 HE3 0.06 0.04 -0.58 -0.04 2.10 1.58 2g1hA1 ALA 23 H 0.16 0.58 -0.19 -0.55 8.40 8.40 2g1hA1 ALA 23 HA -0.02 0.07 0.40 -0.75 4.34 4.04 2g1hA1 ALA 23 HB3 -0.10 0.01 0.07 -0.04 1.41 1.35 2g1hA1 ALA 24 H 0.08 0.38 -0.23 -0.55 8.40 8.08 2g1hA1 ALA 24 HA 0.00 0.03 0.44 -0.75 4.34 4.06 2g1hA1 ALA 24 HB3 0.03 0.01 0.10 -0.04 1.41 1.51 2g1hA1 SER 25 H 0.01 0.28 -0.41 -0.55 8.46 7.79 2g1hA1 SER 25 HA -0.21 0.14 0.80 -0.75 4.49 4.47 2g1hA1 SER 25 HB2 -0.03 0.02 0.13 -0.04 3.95 4.03 2g1hA1 SER 25 HB3 -0.66 -0.02 0.05 -0.04 3.93 3.26 2g1hA1 TYR 26 H 0.02 0.30 -0.20 -0.55 8.29 7.86 2g1hA1 TYR 26 HA -0.02 0.22 0.95 -0.75 4.56 4.95 2g1hA1 TYR 26 HB2 -0.01 0.04 0.11 -0.04 3.06 3.16 2g1hA1 TYR 26 HB3 -0.02 -0.13 0.03 -0.04 2.98 2.83 2g1hA1 TYR 26 HD2 -0.00 -0.00 -0.00 -0.04 7.15 7.10 2g1hA1 TYR 26 HE2 -0.01 -0.03 -0.04 -0.04 6.85 6.73 2g1hA1 PRO 27 HA -0.06 0.08 0.50 -0.51 4.44 4.45 2g1hA1 PRO 27 HB2 -0.01 0.03 0.00 -0.04 2.28 2.27 2g1hA1 PRO 27 HB3 -0.03 0.01 0.09 -0.04 2.02 2.05 2g1hA1 PRO 27 HG2 -0.02 0.06 0.05 -0.04 2.03 2.09 2g1hA1 PRO 27 HG3 -0.04 0.07 0.04 -0.04 2.03 2.06 2g1hA1 PRO 27 HD2 0.02 0.13 0.20 -0.04 3.68 3.98 2g1hA1 PRO 27 HD3 -0.06 0.28 -0.08 -0.04 3.65 3.74 2g1hA1 ILE 28 H 0.06 0.19 -0.39 -0.55 8.25 7.56 2g1hA1 ILE 28 HA -0.01 0.05 0.30 -0.75 4.18 3.77 2g1hA1 ILE 28 HB 0.02 0.05 0.03 -0.04 1.89 1.95 2g1hA1 ILE 28 HG12 -0.02 -0.01 -0.04 -0.04 1.49 1.38 2g1hA1 ILE 28 HG13 -0.01 -0.07 0.08 -0.04 1.21 1.17 2g1hA1 ILE 28 HG23 0.02 0.03 -0.18 -0.04 0.93 0.75 2g1hA1 ILE 28 HD13 -0.01 0.04 -0.05 -0.04 0.88 0.82 2g1hA1 VAL 29 H -0.00 0.52 -0.38 -0.55 8.24 7.83 2g1hA1 VAL 29 HA 0.05 0.07 0.40 -0.75 4.13 3.89 2g1hA1 VAL 29 HB -0.14 0.07 0.16 -0.04 2.12 2.17 2g1hA1 VAL 29 HG13 -0.04 -0.01 -0.13 -0.04 0.97 0.75 2g1hA1 VAL 29 HG23 0.08 0.00 -0.12 -0.04 0.95 0.87 2g1hA1 GLU 30 H -0.26 0.29 0.01 -0.55 8.60 8.10 2g1hA1 GLU 30 HA -0.46 0.00 0.50 -0.75 4.29 3.58 2g1hA1 GLU 30 HB2 -0.32 0.13 0.13 -0.04 2.09 1.99 2g1hA1 GLU 30 HB3 -0.36 -0.02 0.02 -0.04 1.99 1.58 2g1hA1 GLU 30 HG2 -2.03 -0.07 0.01 -0.04 2.34 0.21 2g1hA1 GLU 30 HG3 -1.26 -0.02 0.01 -0.04 2.34 1.03 2g1hA1 GLU 31 H -0.07 0.46 -0.21 -0.55 8.60 8.24 2g1hA1 GLU 31 HA -0.01 0.03 0.53 -0.75 4.29 4.10 2g1hA1 GLU 31 HB2 -0.01 0.08 0.07 -0.04 2.09 2.20 2g1hA1 GLU 31 HB3 0.00 -0.01 0.01 -0.04 1.99 1.95 2g1hA1 GLU 31 HG2 -0.02 -0.04 0.00 -0.04 2.34 2.24 2g1hA1 GLU 31 HG3 -0.04 0.26 0.05 -0.04 2.34 2.57 2g1hA1 THR 32 H 0.01 0.57 -0.22 -0.55 8.28 8.10 2g1hA1 THR 32 HA 0.05 0.02 0.53 -0.75 4.39 4.24 2g1hA1 THR 32 HB 0.01 0.17 0.25 -0.04 4.32 4.71 2g1hA1 THR 32 HG23 -0.28 -0.04 -0.10 -0.04 1.22 0.77 2g1hA1 PHE 33 H 0.25 0.55 -0.06 -0.55 8.34 8.51 2g1hA1 PHE 33 HA 0.15 0.02 0.45 -0.75 4.62 4.48 2g1hA1 PHE 33 HB2 -0.07 0.12 0.18 -0.04 3.15 3.34 2g1hA1 PHE 33 HB3 0.19 -0.20 0.03 -0.04 3.06 3.03 2g1hA1 PHE 33 HD2 0.12 0.08 -0.08 -0.04 7.28 7.36 2g1hA1 PHE 33 HE2 0.22 0.02 -0.09 -0.04 7.38 7.50 2g1hA1 PHE 33 HZ 0.25 0.02 -0.04 -0.04 7.32 7.51 2g1hA1 ALA 34 H 0.11 0.50 -0.35 -0.55 8.40 8.11 2g1hA1 ALA 34 HA 0.09 -0.05 0.55 -0.75 4.34 4.17 2g1hA1 ALA 34 HB3 0.04 0.06 0.12 -0.04 1.41 1.58 2g1hA1 GLU 35 H 0.09 0.47 -0.14 -0.55 8.60 8.48 2g1hA1 GLU 35 HA 0.03 0.05 0.52 -0.75 4.29 4.13 2g1hA1 GLU 35 HB2 0.25 0.25 0.23 -0.04 2.09 2.78 2g1hA1 GLU 35 HB3 0.12 -0.09 -0.06 -0.04 1.99 1.92 2g1hA1 GLU 35 HG2 0.07 -0.04 0.06 -0.04 2.34 2.39 2g1hA1 GLU 35 HG3 0.08 0.09 0.08 -0.04 2.34 2.55 2g1hA1 ALA 36 H 0.06 0.44 -0.14 -0.55 8.40 8.21 2g1hA1 ALA 36 HA -0.30 0.03 0.42 -0.75 4.34 3.72 2g1hA1 ALA 36 HB3 -0.09 0.03 0.10 -0.04 1.41 1.40 2g1hA1 SER 37 H 0.01 0.55 -0.10 -0.55 8.46 8.37 2g1hA1 SER 37 HA -0.21 0.02 0.46 -0.75 4.49 4.01 2g1hA1 SER 37 HB2 0.04 0.09 0.21 -0.04 3.95 4.25 2g1hA1 SER 37 HB3 -0.01 0.20 0.20 -0.04 3.93 4.27 2g1hA1 ALA 38 H -0.03 0.48 -0.25 -0.55 8.40 8.05 2g1hA1 ALA 38 HA -0.02 0.00 0.48 -0.75 4.34 4.05 2g1hA1 ALA 38 HB3 -0.01 0.03 0.11 -0.04 1.41 1.50 2g1hA1 ALA 39 H -0.10 0.36 -0.23 -0.55 8.40 7.88 2g1hA1 ALA 39 HA -0.06 0.05 0.52 -0.75 4.34 4.09 2g1hA1 ALA 39 HB3 -0.14 -0.00 0.13 -0.04 1.41 1.35 2g1hA1 LEU 40 H -0.15 0.27 -0.20 -0.55 8.37 7.74 2g1hA1 LEU 40 HA -0.07 0.11 0.54 -0.75 4.35 4.18 2g1hA1 LEU 40 HB2 -0.49 -0.01 0.13 -0.04 1.64 1.23 2g1hA1 LEU 40 HB3 -0.51 -0.05 -0.02 -0.04 1.64 1.02 2g1hA1 LEU 40 HG -0.18 0.06 -0.08 -0.04 1.64 1.39 2g1hA1 LEU 40 HD13 -0.27 -0.05 -0.14 -0.04 0.93 0.43 2g1hA1 LEU 40 HD23 -0.01 0.02 -0.03 -0.04 0.89 0.82 2g1hA1 GLY 41 H -0.08 0.56 0.03 -0.55 8.43 8.40 2g1hA1 GLY 41 HA2 0.02 0.01 0.31 -0.51 4.01 3.84 2g1hA1 GLY 41 HA3 0.06 0.11 0.64 -0.51 4.01 4.32 2g1hA1 TYR 42 H -0.23 0.21 0.00 -0.55 8.29 7.73 2g1hA1 TYR 42 HA 0.04 0.12 0.24 -0.75 4.56 4.20 2g1hA1 TYR 42 HB2 0.04 -0.11 0.08 -0.04 3.06 3.03 2g1hA1 TYR 42 HB3 0.04 0.20 -0.03 -0.04 2.98 3.15 2g1hA1 TYR 42 HD2 0.04 0.07 -0.44 -0.04 7.15 6.78 2g1hA1 TYR 42 HE2 0.05 0.02 -0.12 -0.04 6.85 6.76 2g1hA1 ASP 43 H 0.24 0.21 0.06 -0.55 8.40 8.37 2g1hA1 ASP 43 HA 0.10 0.12 0.56 -0.75 4.63 4.66 2g1hA1 ASP 43 HB2 0.11 0.11 0.08 -0.04 2.71 2.97 2g1hA1 ASP 43 HB3 0.13 0.03 0.21 -0.04 2.70 3.02 2g1hA1 LEU 44 H 0.08 0.32 0.26 -0.55 8.37 8.48 2g1hA1 LEU 44 HA 0.26 0.10 0.26 -0.75 4.35 4.22 2g1hA1 LEU 44 HB2 -0.07 0.10 0.03 -0.04 1.64 1.66 2g1hA1 LEU 44 HB3 0.31 0.01 0.12 -0.04 1.64 2.04 2g1hA1 LEU 44 HG 0.47 -0.03 -0.16 -0.04 1.64 1.87 2g1hA1 LEU 44 HD13 0.18 0.00 -0.06 -0.04 0.93 1.01 2g1hA1 LEU 44 HD23 0.04 0.02 -0.18 -0.04 0.89 0.74 2g1hA1 TRP 45 H 0.40 0.13 -0.08 -0.55 7.97 7.88 2g1hA1 TRP 45 HA -0.40 0.11 0.42 -0.75 4.62 4.00 2g1hA1 TRP 45 HB2 -0.10 0.01 0.07 -0.04 3.23 3.17 2g1hA1 TRP 45 HB3 -0.03 -0.02 0.03 -0.04 3.23 3.16 2g1hA1 TRP 45 HD1 -0.06 0.01 -0.13 -0.04 7.22 7.00 2g1hA1 TRP 45 HE1 -0.07 0.04 -0.07 -0.04 10.20 10.06 2g1hA1 TRP 45 HE3 -1.98 -0.03 -0.03 -0.04 7.59 5.51 2g1hA1 TRP 45 HZ2 -0.09 0.03 -0.06 -0.04 7.44 7.29 2g1hA1 TRP 45 HZ3 -0.46 0.02 -0.07 -0.04 7.13 6.57 2g1hA1 TRP 45 HH2 -0.11 0.07 -0.30 -0.04 7.19 6.82 2g1hA1 ALA 46 H 0.15 0.09 -0.32 -0.55 8.40 7.77 2g1hA1 ALA 46 HA -0.19 0.05 0.31 -0.75 4.34 3.75 2g1hA1 ALA 46 HB3 0.04 0.05 0.05 -0.04 1.41 1.51 2g1hA1 LEU 47 H 0.06 0.42 -0.17 -0.55 8.37 8.13 2g1hA1 LEU 47 HA -0.05 0.13 0.46 -0.75 4.35 4.14 2g1hA1 LEU 47 HB2 0.11 0.01 0.04 -0.04 1.64 1.75 2g1hA1 LEU 47 HB3 0.13 0.16 0.14 -0.04 1.64 2.02 2g1hA1 LEU 47 HG -0.02 -0.03 -0.34 -0.04 1.64 1.21 2g1hA1 LEU 47 HD13 -0.08 -0.01 -0.16 -0.04 0.93 0.64 2g1hA1 LEU 47 HD23 0.06 0.01 -0.13 -0.04 0.89 0.78 2g1hA1 THR 48 H -0.14 0.51 -0.17 -0.55 8.28 7.93 2g1hA1 THR 48 HA -0.13 0.00 0.33 -0.75 4.39 3.84 2g1hA1 THR 48 HB -0.20 -0.07 0.11 -0.04 4.32 4.11 2g1hA1 THR 48 HG23 0.13 0.09 0.04 -0.04 1.22 1.43 2g1hA1 GLN 49 H -0.47 0.41 -0.23 -0.55 8.47 7.63 2g1hA1 GLN 49 HA -0.42 -0.05 0.59 -0.75 4.36 3.73 2g1hA1 GLN 49 HB2 -0.53 0.03 0.08 -0.04 2.15 1.69 2g1hA1 GLN 49 HB3 -0.38 -0.02 0.03 -0.04 2.02 1.61 2g1hA1 GLN 49 HG2 -2.24 0.15 -0.03 -0.04 2.40 0.24 2g1hA1 GLN 49 HG3 -1.12 -0.04 -0.06 -0.04 2.39 1.13 2g1hA1 GLN 49 HE21 -0.63 0.35 -0.29 -0.04 6.97 6.36 2g1hA1 GLN 49 HE22 -1.42 -0.06 -0.21 -0.04 7.69 5.96 2g1hA1 GLN 50 H -0.20 0.47 -0.01 -0.55 8.47 8.18 2g1hA1 GLN 50 HA -0.11 0.12 0.67 -0.75 4.36 4.29 2g1hA1 GLN 50 HB2 -0.09 0.19 0.06 -0.04 2.15 2.26 2g1hA1 GLN 50 HB3 -0.07 -0.05 -0.01 -0.04 2.02 1.85 2g1hA1 GLN 50 HG2 -0.08 -0.00 -0.07 -0.04 2.40 2.21 2g1hA1 GLN 50 HG3 -0.13 -0.09 -0.12 -0.04 2.39 2.01 2g1hA1 GLN 50 HE21 -0.02 -0.04 -0.03 -0.04 6.97 6.84 2g1hA1 GLN 50 HE22 -0.04 0.03 -0.04 -0.04 7.69 7.60 2g1hA1 GLY 51 H -0.12 0.38 0.02 -0.55 8.43 8.15 2g1hA1 GLY 51 HA2 -0.09 0.11 0.23 -0.51 4.01 3.75 2g1hA1 GLY 51 HA3 -0.08 -0.17 0.44 -0.51 4.01 3.69 2g1hA1 PRO 52 HA -0.06 0.25 0.46 -0.51 4.44 4.58 2g1hA1 PRO 52 HB2 -0.05 -0.13 0.09 -0.04 2.28 2.14 2g1hA1 PRO 52 HB3 -0.04 0.15 0.16 -0.04 2.02 2.25 2g1hA1 PRO 52 HG2 -0.05 -0.14 0.06 -0.04 2.03 1.86 2g1hA1 PRO 52 HG3 -0.04 0.11 0.10 -0.04 2.03 2.16 2g1hA1 PRO 52 HD2 -0.06 0.08 0.22 -0.04 3.68 3.87 2g1hA1 PRO 52 HD3 -0.05 0.18 0.26 -0.04 3.65 4.00 2g1hA1 ALA 53 H -0.06 0.25 0.17 -0.55 8.40 8.22 2g1hA1 ALA 53 HA -0.07 0.06 0.27 -0.75 4.34 3.85 2g1hA1 ALA 53 HB3 -0.05 0.04 0.11 -0.04 1.41 1.47 2g1hA1 GLU 54 H -0.06 0.06 -0.35 -0.55 8.60 7.70 2g1hA1 GLU 54 HA -0.07 0.10 0.19 -0.75 4.29 3.76 2g1hA1 GLU 54 HB2 -0.04 -0.01 0.06 -0.04 2.09 2.06 2g1hA1 GLU 54 HB3 -0.05 0.01 -0.00 -0.04 1.99 1.91 2g1hA1 GLU 54 HG2 -0.05 0.02 -0.07 -0.04 2.34 2.19 2g1hA1 GLU 54 HG3 -0.04 0.02 0.03 -0.04 2.34 2.30 2g1hA1 GLU 55 H -0.09 0.19 -0.23 -0.55 8.60 7.93 2g1hA1 GLU 55 HA -0.17 0.08 0.61 -0.75 4.29 4.06 2g1hA1 GLU 55 HB2 -0.10 0.15 -0.04 -0.04 2.09 2.06 2g1hA1 GLU 55 HB3 -0.14 0.01 -0.11 -0.04 1.99 1.71 2g1hA1 GLU 55 HG2 -0.07 -0.08 -0.01 -0.04 2.34 2.13 2g1hA1 GLU 55 HG3 -0.08 0.07 -0.02 -0.04 2.34 2.26 2g1hA1 LEU 56 H -0.11 0.37 -0.15 -0.55 8.37 7.94 2g1hA1 LEU 56 HA -0.12 0.04 0.27 -0.75 4.35 3.78 2g1hA1 LEU 56 HB2 -0.09 0.05 -0.04 -0.04 1.64 1.52 2g1hA1 LEU 56 HB3 -0.09 0.05 -0.02 -0.04 1.64 1.54 2g1hA1 LEU 56 HG -0.06 -0.04 -0.18 -0.04 1.64 1.32 2g1hA1 LEU 56 HD13 -0.03 0.00 -0.11 -0.04 0.93 0.74 2g1hA1 LEU 56 HD23 -0.07 -0.01 -0.24 -0.04 0.89 0.53 2g1hA1 ASN 57 H -0.14 0.26 -0.59 -0.55 8.53 7.52 2g1hA1 ASN 57 HA -0.11 0.04 0.50 -0.75 4.76 4.43 2g1hA1 ASN 57 HB2 -0.10 0.07 0.03 -0.04 2.88 2.84 2g1hA1 ASN 57 HB3 -0.08 -0.03 0.09 -0.04 2.79 2.72 2g1hA1 ASN 57 HD21 -0.05 -0.06 -0.06 -0.04 7.03 6.82 2g1hA1 ASN 57 HD22 -0.06 -0.02 -0.10 -0.04 7.74 7.53 2g1hA1 LYS 58 H -0.31 0.33 -0.31 -0.55 8.42 7.58 2g1hA1 LYS 58 HA -0.35 0.10 0.75 -0.75 4.32 4.06 2g1hA1 LYS 58 HB2 -0.93 0.11 0.19 -0.04 1.87 1.19 2g1hA1 LYS 58 HB3 -1.97 -0.08 0.07 -0.04 1.79 -0.23 2g1hA1 LYS 58 HG2 -0.25 -0.03 0.09 -0.04 1.46 1.23 2g1hA1 LYS 58 HG3 -0.28 0.35 0.23 -0.04 1.46 1.72 2g1hA1 LYS 58 HD2 -0.25 -0.02 0.10 -0.04 1.69 1.48 2g1hA1 LYS 58 HD3 -0.29 -0.04 0.04 -0.04 1.68 1.35 2g1hA1 LYS 58 HE2 0.06 -0.01 0.01 -0.04 2.99 3.01 2g1hA1 LYS 58 HE3 -0.06 0.02 -0.07 -0.04 2.99 2.84 2g1hA1 THR 59 H -0.15 0.22 0.22 -0.55 8.28 8.03 2g1hA1 THR 59 HA -0.10 0.04 -0.07 -0.75 4.39 3.51 2g1hA1 THR 59 HB 0.01 0.11 0.17 -0.04 4.32 4.57 2g1hA1 THR 59 HG23 0.23 0.01 0.09 -0.04 1.22 1.50 2g1hA1 TRP 60 H 0.18 0.11 -0.13 -0.55 7.97 7.58 2g1hA1 TRP 60 HA -0.05 0.11 0.67 -0.75 4.62 4.60 2g1hA1 TRP 60 HB2 -0.06 0.15 0.18 -0.04 3.23 3.46 2g1hA1 TRP 60 HB3 -0.06 -0.05 -0.15 -0.04 3.23 2.93 2g1hA1 TRP 60 HD1 -0.02 0.03 -0.17 -0.04 7.22 7.03 2g1hA1 TRP 60 HE1 -0.06 0.02 -0.07 -0.04 10.20 10.05 2g1hA1 TRP 60 HE3 -0.03 -0.02 -0.02 -0.04 7.59 7.49 2g1hA1 TRP 60 HZ2 -0.04 0.02 -0.01 -0.04 7.44 7.37 2g1hA1 TRP 60 HZ3 -0.02 0.02 0.06 -0.04 7.13 7.15 2g1hA1 TRP 60 HH2 -0.03 0.03 0.02 -0.04 7.19 7.17 2g1hA1 GLN 61 H -0.63 0.48 -0.22 -0.55 8.47 7.56 2g1hA1 GLN 61 HA -0.00 0.14 0.83 -0.75 4.36 4.57 2g1hA1 GLN 61 HB2 -0.41 0.23 0.08 -0.04 2.15 2.01 2g1hA1 GLN 61 HB3 -0.12 -0.08 -0.01 -0.04 2.02 1.77 2g1hA1 GLN 61 HG2 -0.13 0.03 -0.10 -0.04 2.40 2.16 2g1hA1 GLN 61 HG3 -1.04 -0.12 -0.22 -0.04 2.39 0.97 2g1hA1 GLN 61 HE21 -0.26 -0.10 -0.01 -0.04 6.97 6.55 2g1hA1 GLN 61 HE22 -0.38 0.41 0.03 -0.04 7.69 7.72 2g1hA1 THR 62 H -0.22 0.57 -0.00 -0.55 8.28 8.08 2g1hA1 THR 62 HA -0.06 0.10 0.39 -0.75 4.39 4.07 2g1hA1 THR 62 HB -0.07 -0.02 0.02 -0.04 4.32 4.22 2g1hA1 THR 62 HG23 -0.04 -0.05 -0.02 -0.04 1.22 1.08 2g1hA1 GLN 63 H -0.03 0.52 -0.29 -0.55 8.47 8.12 2g1hA1 GLN 63 HA -0.01 -0.08 0.17 -0.75 4.36 3.70 2g1hA1 GLN 63 HB2 -0.01 0.20 0.06 -0.04 2.15 2.36 2g1hA1 GLN 63 HB3 -0.06 -0.08 -0.04 -0.04 2.02 1.81 2g1hA1 GLN 63 HG2 -0.01 -0.18 0.04 -0.04 2.40 2.21 2g1hA1 GLN 63 HG3 -0.01 0.14 0.12 -0.04 2.39 2.60 2g1hA1 GLN 63 HE21 0.02 0.02 -0.16 -0.04 6.97 6.81 2g1hA1 GLN 63 HE22 0.03 -0.03 -0.02 -0.04 7.69 7.62 2g1hA1 PRO 64 HA -0.02 0.01 0.47 -0.51 4.44 4.39 2g1hA1 PRO 64 HB2 -0.00 -0.01 -0.07 -0.04 2.28 2.15 2g1hA1 PRO 64 HB3 -0.03 0.12 0.11 -0.04 2.02 2.17 2g1hA1 PRO 64 HG2 0.07 0.11 0.05 -0.04 2.03 2.22 2g1hA1 PRO 64 HG3 0.07 0.16 0.10 -0.04 2.03 2.32 2g1hA1 PRO 64 HD2 0.00 -0.12 -0.59 -0.04 3.68 2.93 2g1hA1 PRO 64 HD3 0.01 0.14 -0.18 -0.04 3.65 3.58 2g1hA1 ALA 65 H 0.04 0.54 -0.44 -0.55 8.40 8.00 2g1hA1 ALA 65 HA 0.18 -0.03 0.36 -0.75 4.34 4.10 2g1hA1 ALA 65 HB3 0.09 0.05 0.06 -0.04 1.41 1.57 2g1hA1 LEU 66 H 0.04 0.61 -0.10 -0.55 8.37 8.38 2g1hA1 LEU 66 HA 0.09 -0.00 0.38 -0.75 4.35 4.06 2g1hA1 LEU 66 HB2 0.03 0.10 0.11 -0.04 1.64 1.84 2g1hA1 LEU 66 HB3 0.05 0.03 -0.09 -0.04 1.64 1.59 2g1hA1 LEU 66 HG 0.02 0.18 -0.01 -0.04 1.64 1.79 2g1hA1 LEU 66 HD13 0.01 -0.05 -0.32 -0.04 0.93 0.53 2g1hA1 LEU 66 HD23 0.03 -0.03 -0.14 -0.04 0.89 0.71 2g1hA1 LEU 67 H 0.04 0.65 -0.04 -0.55 8.37 8.47 2g1hA1 LEU 67 HA 0.06 -0.00 0.39 -0.75 4.35 4.04 2g1hA1 LEU 67 HB2 0.03 0.00 0.02 -0.04 1.64 1.65 2g1hA1 LEU 67 HB3 0.03 0.08 0.09 -0.04 1.64 1.80 2g1hA1 LEU 67 HG 0.14 -0.04 -0.22 -0.04 1.64 1.48 2g1hA1 LEU 67 HD13 0.07 -0.00 -0.23 -0.04 0.93 0.73 2g1hA1 LEU 67 HD23 0.06 0.02 -0.25 -0.04 0.89 0.69 2g1hA1 THR 68 H 0.01 0.57 -0.28 -0.55 8.28 8.03 2g1hA1 THR 68 HA 0.07 0.01 0.36 -0.75 4.39 4.07 2g1hA1 THR 68 HB -0.37 0.11 0.12 -0.04 4.32 4.14 2g1hA1 THR 68 HG23 -0.98 -0.03 -0.14 -0.04 1.22 0.02 2g1hA1 ALA 69 H 0.06 0.60 -0.08 -0.55 8.40 8.43 2g1hA1 ALA 69 HA 0.33 -0.02 0.45 -0.75 4.34 4.35 2g1hA1 ALA 69 HB3 0.25 0.02 0.11 -0.04 1.41 1.75 2g1hA1 SER 70 H 0.09 0.57 -0.22 -0.55 8.46 8.36 2g1hA1 SER 70 HA 0.14 0.05 0.32 -0.75 4.49 4.25 2g1hA1 SER 70 HB2 0.13 0.05 0.19 -0.04 3.95 4.28 2g1hA1 SER 70 HB3 0.43 -0.03 0.04 -0.04 3.93 4.32 2g1hA1 VAL 71 H -0.00 0.55 -0.08 -0.55 8.24 8.16 2g1hA1 VAL 71 HA 0.01 0.05 0.43 -0.75 4.13 3.87 2g1hA1 VAL 71 HB -0.36 0.05 0.14 -0.04 2.12 1.90 2g1hA1 VAL 71 HG13 -0.65 -0.02 -0.08 -0.04 0.97 0.18 2g1hA1 VAL 71 HG23 -0.08 0.06 0.04 -0.04 0.95 0.93 2g1hA1 ALA 72 H -0.05 0.64 -0.19 -0.55 8.40 8.24 2g1hA1 ALA 72 HA -0.05 0.01 0.40 -0.75 4.34 3.95 2g1hA1 ALA 72 HB3 0.08 0.01 0.12 -0.04 1.41 1.58 2g1hA1 LEU 73 H 0.08 0.52 -0.20 -0.55 8.37 8.22 2g1hA1 LEU 73 HA 0.01 -0.03 0.42 -0.75 4.35 4.00 2g1hA1 LEU 73 HB2 0.05 0.15 0.08 -0.04 1.64 1.88 2g1hA1 LEU 73 HB3 -0.04 0.03 0.02 -0.04 1.64 1.61 2g1hA1 LEU 73 HG 0.09 0.21 0.06 -0.04 1.64 1.96 2g1hA1 LEU 73 HD13 0.02 -0.00 -0.19 -0.04 0.93 0.72 2g1hA1 LEU 73 HD23 0.04 0.01 0.03 -0.04 0.89 0.92 2g1hA1 TYR 74 H 0.21 0.57 -0.13 -0.55 8.29 8.40 2g1hA1 TYR 74 HA 0.13 0.02 0.44 -0.75 4.56 4.40 2g1hA1 TYR 74 HB2 0.22 0.04 0.12 -0.04 3.06 3.40 2g1hA1 TYR 74 HB3 0.08 0.09 0.12 -0.04 2.98 3.23 2g1hA1 TYR 74 HD2 0.28 -0.03 -0.07 -0.04 7.15 7.29 2g1hA1 TYR 74 HE2 0.23 0.02 -0.01 -0.04 6.85 7.05 2g1hA1 ARG 75 H 0.11 0.55 -0.25 -0.55 8.46 8.31 2g1hA1 ARG 75 HA 0.02 0.03 0.41 -0.75 4.34 4.05 2g1hA1 ARG 75 HB2 -0.01 0.11 0.16 -0.04 1.90 2.12 2g1hA1 ARG 75 HB3 -0.02 -0.09 0.00 -0.04 1.80 1.66 2g1hA1 ARG 75 HG2 0.02 -0.03 0.02 -0.04 1.67 1.65 2g1hA1 ARG 75 HG3 0.02 0.17 0.05 -0.04 1.67 1.87 2g1hA1 ARG 75 HD2 -0.18 -0.04 -0.10 -0.04 3.22 2.86 2g1hA1 ARG 75 HD3 -0.07 -0.04 -0.01 -0.04 3.22 3.06 2g1hA1 VAL 76 H -0.03 0.49 -0.19 -0.55 8.24 7.97 2g1hA1 VAL 76 HA -0.16 -0.03 0.45 -0.75 4.13 3.64 2g1hA1 VAL 76 HB -0.14 0.17 0.17 -0.04 2.12 2.28 2g1hA1 VAL 76 HG13 -0.79 -0.01 -0.18 -0.04 0.97 -0.06 2g1hA1 VAL 76 HG23 -0.14 0.03 -0.01 -0.04 0.95 0.78 2g1hA1 TRP 77 H 0.09 0.56 -0.07 -0.55 7.97 8.00 2g1hA1 TRP 77 HA -0.17 -0.00 0.37 -0.75 4.62 4.07 2g1hA1 TRP 77 HB2 -0.16 -0.03 0.10 -0.04 3.23 3.09 2g1hA1 TRP 77 HB3 -0.21 0.18 0.15 -0.04 3.23 3.31 2g1hA1 TRP 77 HD1 -0.13 0.03 -0.27 -0.04 7.22 6.81 2g1hA1 TRP 77 HE1 0.12 0.72 -0.29 -0.04 10.20 10.71 2g1hA1 TRP 77 HE3 -0.20 -0.05 -0.02 -0.04 7.59 7.28 2g1hA1 TRP 77 HZ2 -0.07 0.05 -0.05 -0.04 7.44 7.33 2g1hA1 TRP 77 HZ3 -0.30 -0.06 -0.14 -0.04 7.13 6.58 2g1hA1 TRP 77 HH2 -0.37 0.11 -0.18 -0.04 7.19 6.70 2g1hA1 GLN 78 H -0.05 0.49 -0.26 -0.55 8.47 8.10 2g1hA1 GLN 78 HA -0.18 0.18 0.31 -0.75 4.36 3.92 2g1hA1 GLN 78 HB2 -0.09 0.01 0.14 -0.04 2.15 2.18 2g1hA1 GLN 78 HB3 -0.06 -0.05 -0.01 -0.04 2.02 1.86 2g1hA1 GLN 78 HG2 -0.14 0.03 -0.07 -0.04 2.40 2.19 2g1hA1 GLN 78 HG3 -0.63 0.08 -0.02 -0.04 2.39 1.77 2g1hA1 GLN 78 HE21 0.15 -0.03 -0.02 -0.04 6.97 7.02 2g1hA1 GLN 78 HE22 0.08 0.06 -0.07 -0.04 7.69 7.71 2g1hA1 GLN 79 H -0.09 0.60 -0.05 -0.55 8.47 8.38 2g1hA1 GLN 79 HA -0.06 -0.02 0.41 -0.75 4.36 3.94 2g1hA1 GLN 79 HB2 -0.04 0.03 0.17 -0.04 2.15 2.27 2g1hA1 GLN 79 HB3 -0.07 0.08 0.18 -0.04 2.02 2.16 2g1hA1 GLN 79 HG2 -0.01 0.03 -0.10 -0.04 2.40 2.28 2g1hA1 GLN 79 HG3 -0.02 -0.04 0.07 -0.04 2.39 2.36 2g1hA1 GLN 79 HE21 0.02 -0.13 -0.01 -0.04 6.97 6.81 2g1hA1 GLN 79 HE22 0.00 0.02 0.00 -0.04 7.69 7.68 2g1hA1 GLN 80 H -0.19 0.49 -0.36 -0.55 8.47 7.86 2g1hA1 GLN 80 HA -0.09 0.05 0.53 -0.75 4.36 4.09 2g1hA1 GLN 80 HB2 -0.26 0.09 0.05 -0.04 2.15 1.99 2g1hA1 GLN 80 HB3 -0.14 -0.05 0.13 -0.04 2.02 1.93 2g1hA1 GLN 80 HG2 -0.17 0.15 0.02 -0.04 2.40 2.35 2g1hA1 GLN 80 HG3 -0.07 -0.10 -0.05 -0.04 2.39 2.14 2g1hA1 GLN 80 HE21 0.06 -0.04 -0.00 -0.04 6.97 6.95 2g1hA1 GLN 80 HE22 0.06 0.00 0.02 -0.04 7.69 7.73 2g1hA1 GLY 81 H -0.23 0.42 -0.50 -0.55 8.43 7.58 2g1hA1 GLY 81 HA2 -0.16 0.00 0.24 -0.51 4.01 3.58 2g1hA1 GLY 81 HA3 -0.19 0.04 0.42 -0.51 4.01 3.77 2g1hA1 GLY 82 H -0.68 0.50 0.03 -0.55 8.43 7.74 2g1hA1 GLY 82 HA2 -0.92 0.02 0.37 -0.51 4.01 2.98 2g1hA1 GLY 82 HA3 -2.43 -0.03 0.19 -0.51 4.01 1.23 2g1hA1 LYS 83 H 0.10 0.09 0.14 -0.55 8.42 8.19 2g1hA1 LYS 83 HA 0.10 0.07 0.60 -0.75 4.32 4.33 2g1hA1 LYS 83 HB2 0.39 -0.03 0.05 -0.04 1.87 2.24 2g1hA1 LYS 83 HB3 0.15 0.05 0.05 -0.04 1.79 2.01 2g1hA1 LYS 83 HG2 0.06 -0.04 0.05 -0.04 1.46 1.49 2g1hA1 LYS 83 HG3 0.04 0.08 0.04 -0.04 1.46 1.58 2g1hA1 LYS 83 HD2 0.16 0.04 0.03 -0.04 1.69 1.88 2g1hA1 LYS 83 HD3 0.14 -0.02 0.02 -0.04 1.68 1.78 2g1hA1 LYS 83 HE2 0.04 -0.05 0.02 -0.04 2.99 2.96 2g1hA1 LYS 83 HE3 0.03 0.05 0.02 -0.04 2.99 3.04 2g1hA1 ALA 84 H 0.12 0.06 0.12 -0.55 8.40 8.15 2g1hA1 ALA 84 HA 0.17 0.06 0.42 -0.75 4.34 4.23 2g1hA1 ALA 84 HB3 0.06 0.00 0.07 -0.04 1.41 1.50 2g1hA1 PRO 85 HA -0.99 0.10 0.54 -0.51 4.44 3.58 2g1hA1 PRO 85 HB2 -0.27 0.03 0.15 -0.04 2.28 2.15 2g1hA1 PRO 85 HB3 -0.79 -0.03 -0.03 -0.04 2.02 1.14 2g1hA1 PRO 85 HG2 -0.12 0.03 -0.08 -0.04 2.03 1.82 2g1hA1 PRO 85 HG3 -0.56 -0.04 0.03 -0.04 2.03 1.41 2g1hA1 PRO 85 HD2 0.04 0.07 0.16 -0.04 3.68 3.91 2g1hA1 PRO 85 HD3 -0.43 0.16 0.13 -0.04 3.65 3.47 2g1hA1 ALA 86 H -0.46 0.59 0.36 -0.55 8.40 8.35 2g1hA1 ALA 86 HA -0.15 0.09 0.54 -0.75 4.34 4.06 2g1hA1 ALA 86 HB3 -0.15 -0.01 0.06 -0.04 1.41 1.27 2g1hA1 MET 87 H -0.11 0.17 0.04 -0.55 8.47 8.02 2g1hA1 MET 87 HA -0.00 0.25 0.62 -0.75 4.52 4.64 2g1hA1 MET 87 HB2 -0.00 -0.10 -0.14 -0.04 2.15 1.86 2g1hA1 MET 87 HB3 0.03 -0.01 0.01 -0.04 2.03 2.01 2g1hA1 MET 87 HG2 -0.03 0.32 -0.24 -0.04 2.63 2.63 2g1hA1 MET 87 HG3 -0.06 -0.19 -0.78 -0.04 2.56 1.48 2g1hA1 MET 87 HE3 0.03 -0.01 -0.10 -0.04 2.10 1.98 2g1hA1 MET 88 H 0.07 0.68 0.33 -0.55 8.47 9.00 2g1hA1 MET 88 HA 0.22 0.30 0.93 -0.75 4.52 5.22 2g1hA1 MET 88 HB2 0.14 -0.04 0.00 -0.04 2.15 2.21 2g1hA1 MET 88 HB3 0.44 -0.05 0.09 -0.04 2.03 2.47 2g1hA1 MET 88 HG2 0.19 0.03 -0.20 -0.04 2.63 2.62 2g1hA1 MET 88 HG3 0.08 0.07 -0.35 -0.04 2.56 2.32 2g1hA1 MET 88 HE3 0.06 0.02 -0.17 -0.04 2.10 1.96 2g1hA1 ALA 89 H 0.34 0.63 0.37 -0.55 8.40 9.19 2g1hA1 ALA 89 HA 0.20 0.11 0.39 -0.75 4.34 4.29 2g1hA1 ALA 89 HB3 0.13 0.01 -0.02 -0.04 1.41 1.49 2g1hA1 GLY 90 H 0.31 0.28 0.08 -0.55 8.43 8.56 2g1hA1 GLY 90 HA2 0.38 0.07 0.82 -0.51 4.01 4.77 2g1hA1 GLY 90 HA3 0.27 0.08 -0.33 -0.51 4.01 3.52 2g1hA1 HIS 91 H 0.01 0.68 0.16 -0.55 8.41 8.72 2g1hA1 HIS 91 HA -0.10 0.13 0.49 -0.75 4.63 4.40 2g1hA1 HIS 91 HB2 -1.03 0.06 0.02 -0.04 3.26 2.27 2g1hA1 HIS 91 HB3 -0.32 -0.15 0.19 -0.04 3.20 2.88 2g1hA1 HIS 91 HD2 -1.26 0.05 -0.08 -0.04 6.97 5.64 2g1hA1 HIS 91 HE1 -0.03 0.05 -0.06 -0.04 7.75 7.66 2g1hA1 SER 92 H -0.04 0.29 0.18 -0.55 8.46 8.34 2g1hA1 SER 92 HA 0.10 0.14 0.35 -0.75 4.49 4.33 2g1hA1 SER 92 HB2 0.22 0.05 -0.09 -0.04 3.95 4.09 2g1hA1 SER 92 HB3 0.24 -0.07 0.21 -0.04 3.93 4.28 2g1hA1 LEU 93 H 0.16 0.14 0.27 -0.55 8.37 8.39 2g1hA1 LEU 93 HA 0.17 0.09 0.48 -0.75 4.35 4.34 2g1hA1 LEU 93 HB2 0.05 0.02 0.18 -0.04 1.64 1.84 2g1hA1 LEU 93 HB3 0.07 -0.05 0.21 -0.04 1.64 1.83 2g1hA1 LEU 93 HG 0.01 -0.02 0.04 -0.04 1.64 1.64 2g1hA1 LEU 93 HD13 0.06 0.01 -0.32 -0.04 0.93 0.64 2g1hA1 LEU 93 HD23 -0.05 0.01 0.03 -0.04 0.89 0.84 2g1hA1 GLY 94 H 0.13 0.44 -0.62 -0.55 8.43 7.83 2g1hA1 GLY 94 HA2 0.13 0.09 0.07 -0.51 4.01 3.79 2g1hA1 GLY 94 HA3 0.16 0.19 -0.03 -0.51 4.01 3.82 2g1hA1 GLU 95 H 0.15 0.40 -0.93 -0.55 8.60 7.68 2g1hA1 GLU 95 HA 0.06 -0.01 0.37 -0.75 4.29 3.95 2g1hA1 GLU 95 HB2 0.07 0.03 0.07 -0.04 2.09 2.22 2g1hA1 GLU 95 HB3 0.03 0.16 0.02 -0.04 1.99 2.16 2g1hA1 GLU 95 HG2 -0.16 0.04 -0.18 -0.04 2.34 1.99 2g1hA1 GLU 95 HG3 -0.03 -0.00 0.01 -0.04 2.34 2.27 2g1hA1 TYR 96 H 0.32 0.44 -0.20 -0.55 8.29 8.30 2g1hA1 TYR 96 HA -0.02 0.05 0.41 -0.75 4.56 4.25 2g1hA1 TYR 96 HB2 0.01 0.17 0.12 -0.04 3.06 3.32 2g1hA1 TYR 96 HB3 -0.01 -0.02 -0.06 -0.04 2.98 2.85 2g1hA1 TYR 96 HD2 0.04 0.05 0.02 -0.04 7.15 7.21 2g1hA1 TYR 96 HE2 0.10 0.02 -0.09 -0.04 6.85 6.84 2g1hA1 SER 97 H 0.04 0.25 -0.23 -0.55 8.46 7.97 2g1hA1 SER 97 HA -0.13 0.03 0.39 -0.75 4.49 4.02 2g1hA1 SER 97 HB2 -0.30 0.12 0.06 -0.04 3.95 3.79 2g1hA1 SER 97 HB3 -0.24 0.02 0.01 -0.04 3.93 3.68 2g1hA1 ALA 98 H -0.38 0.51 -0.26 -0.55 8.40 7.73 2g1hA1 ALA 98 HA -0.87 0.05 0.27 -0.75 4.34 3.04 2g1hA1 ALA 98 HB3 -0.04 0.03 -0.09 -0.04 1.41 1.28 2g1hA1 LEU 99 H -0.17 0.43 -0.32 -0.55 8.37 7.77 2g1hA1 LEU 99 HA -0.11 0.06 0.28 -0.75 4.35 3.82 2g1hA1 LEU 99 HB2 -0.14 0.10 0.12 -0.04 1.64 1.68 2g1hA1 LEU 99 HB3 -0.16 -0.09 -0.02 -0.04 1.64 1.34 2g1hA1 LEU 99 HG -0.11 0.22 0.02 -0.04 1.64 1.73 2g1hA1 LEU 99 HD13 -0.14 -0.03 -0.13 -0.04 0.93 0.59 2g1hA1 LEU 99 HD23 -0.04 -0.00 -0.06 -0.04 0.89 0.75 2g1hA1 VAL 100 H -0.15 0.54 -0.20 -0.55 8.24 7.89 2g1hA1 VAL 100 HA -0.09 0.13 0.64 -0.75 4.13 4.06 2g1hA1 VAL 100 HB -0.10 0.11 0.14 -0.04 2.12 2.23 2g1hA1 VAL 100 HG13 0.01 -0.01 -0.10 -0.04 0.97 0.83 2g1hA1 VAL 100 HG23 0.05 0.05 -0.08 -0.04 0.95 0.92 2g1hA1 CYS 101 H -0.32 0.54 -0.09 -0.55 8.50 8.08 2g1hA1 CYS 101 HA -0.33 0.03 0.34 -0.75 4.58 3.86 2g1hA1 CYS 101 HB2 -0.48 0.06 0.08 -0.04 2.97 2.60 2g1hA1 CYS 101 HB3 -1.54 0.00 0.04 -0.04 2.97 1.44 2g1hA1 ALA 102 H -0.17 0.37 -0.35 -0.55 8.40 7.70 2g1hA1 ALA 102 HA -0.03 0.14 0.62 -0.75 4.34 4.31 2g1hA1 ALA 102 HB3 -0.04 -0.04 0.09 -0.04 1.41 1.37 2g1hA1 GLY 103 H -0.08 0.35 -0.53 -0.55 8.43 7.62 2g1hA1 GLY 103 HA2 -0.03 0.03 0.19 -0.51 4.01 3.69 2g1hA1 GLY 103 HA3 -0.01 0.07 0.24 -0.51 4.01 3.80 2g1hA1 VAL 104 H -0.09 0.56 0.00 -0.55 8.24 8.16 2g1hA1 VAL 104 HA -0.07 0.19 0.31 -0.75 4.13 3.81 2g1hA1 VAL 104 HB -0.15 -0.03 0.09 -0.04 2.12 1.98 2g1hA1 VAL 104 HG13 -0.17 0.02 -0.12 -0.04 0.97 0.66 2g1hA1 VAL 104 HG23 -0.03 0.04 -0.15 -0.04 0.95 0.77 2g1hA1 ILE 105 H -0.18 0.26 -0.08 -0.55 8.25 7.71 2g1hA1 ILE 105 HA -0.31 0.29 0.93 -0.75 4.18 4.34 2g1hA1 ILE 105 HB -0.16 -0.06 -0.11 -0.04 1.89 1.52 2g1hA1 ILE 105 HG12 -1.37 0.14 -0.20 -0.04 1.49 0.02 2g1hA1 ILE 105 HG13 -0.50 -0.08 -0.26 -0.04 1.21 0.33 2g1hA1 ILE 105 HG23 -0.15 0.05 -0.13 -0.04 0.93 0.66 2g1hA1 ILE 105 HD13 -0.16 -0.01 -0.11 -0.04 0.88 0.56 2g1hA1 ASP 106 H -0.08 0.22 0.09 -0.55 8.40 8.09 2g1hA1 ASP 106 HA 0.01 0.12 0.51 -0.75 4.63 4.52 2g1hA1 ASP 106 HB2 -0.00 0.14 0.12 -0.04 2.71 2.93 2g1hA1 ASP 106 HB3 -0.02 -0.00 0.15 -0.04 2.70 2.79 2g1hA1 PHE 107 H 0.16 0.21 0.18 -0.55 8.34 8.33 2g1hA1 PHE 107 HA -0.05 0.12 0.24 -0.75 4.62 4.17 2g1hA1 PHE 107 HB2 -0.03 0.12 0.12 -0.04 3.15 3.32 2g1hA1 PHE 107 HB3 -0.03 -0.05 0.15 -0.04 3.06 3.09 2g1hA1 PHE 107 HD2 -0.05 0.01 -0.02 -0.04 7.28 7.18 2g1hA1 PHE 107 HE2 -0.09 0.06 -0.07 -0.04 7.38 7.24 2g1hA1 PHE 107 HZ -0.19 -0.03 -0.04 -0.04 7.32 7.02 2g1hA1 ALA 108 H -0.04 0.12 -0.09 -0.55 8.40 7.84 2g1hA1 ALA 108 HA -0.48 0.08 0.35 -0.75 4.34 3.54 2g1hA1 ALA 108 HB3 -0.11 0.03 0.04 -0.04 1.41 1.33 2g1hA1 ASP 109 H -0.06 0.04 -0.27 -0.55 8.40 7.57 2g1hA1 ASP 109 HA -0.04 0.07 0.46 -0.75 4.63 4.37 2g1hA1 ASP 109 HB2 -0.03 0.15 0.08 -0.04 2.71 2.87 2g1hA1 ASP 109 HB3 -0.00 0.04 -0.04 -0.04 2.70 2.65 2g1hA1 ALA 110 H -0.05 0.54 -0.32 -0.55 8.40 8.02 2g1hA1 ALA 110 HA 0.04 0.01 0.28 -0.75 4.34 3.92 2g1hA1 ALA 110 HB3 0.05 0.03 -0.04 -0.04 1.41 1.40 2g1hA1 VAL 111 H -0.23 0.51 -0.11 -0.55 8.24 7.86 2g1hA1 VAL 111 HA -0.13 -0.04 0.42 -0.75 4.13 3.63 2g1hA1 VAL 111 HB -0.33 0.16 0.18 -0.04 2.12 2.09 2g1hA1 VAL 111 HG13 -0.18 -0.00 -0.12 -0.04 0.97 0.63 2g1hA1 VAL 111 HG23 -0.63 0.02 0.01 -0.04 0.95 0.31 2g1hA1 ARG 112 H -0.11 0.51 -0.16 -0.55 8.46 8.14 2g1hA1 ARG 112 HA -0.06 0.06 0.44 -0.75 4.34 4.03 2g1hA1 ARG 112 HB2 -0.04 0.09 0.16 -0.04 1.90 2.07 2g1hA1 ARG 112 HB3 -0.03 -0.03 0.02 -0.04 1.80 1.71 2g1hA1 ARG 112 HG2 -0.06 0.09 0.02 -0.04 1.67 1.68 2g1hA1 ARG 112 HG3 -0.09 0.04 0.06 -0.04 1.67 1.64 2g1hA1 ARG 112 HD2 -0.02 -0.03 0.02 -0.04 3.22 3.15 2g1hA1 ARG 112 HD3 -0.04 0.08 0.05 -0.04 3.22 3.27 2g1hA1 LEU 113 H -0.03 0.64 -0.11 -0.55 8.37 8.32 2g1hA1 LEU 113 HA 0.01 0.01 0.39 -0.75 4.35 4.01 2g1hA1 LEU 113 HB2 0.05 0.25 0.15 -0.04 1.64 2.05 2g1hA1 LEU 113 HB3 0.03 -0.01 -0.01 -0.04 1.64 1.61 2g1hA1 LEU 113 HG 0.23 -0.06 -0.08 -0.04 1.64 1.69 2g1hA1 LEU 113 HD13 0.12 -0.01 -0.11 -0.04 0.93 0.89 2g1hA1 LEU 113 HD23 0.22 0.00 -0.11 -0.04 0.89 0.96 2g1hA1 VAL 114 H -0.10 0.61 -0.20 -0.55 8.24 8.00 2g1hA1 VAL 114 HA -0.26 0.01 0.38 -0.75 4.13 3.51 2g1hA1 VAL 114 HB -0.21 -0.12 0.01 -0.04 2.12 1.77 2g1hA1 VAL 114 HG13 -0.52 0.04 -0.02 -0.04 0.97 0.43 2g1hA1 VAL 114 HG23 -0.08 0.07 -0.15 -0.04 0.95 0.75 2g1hA1 GLU 115 H -0.06 0.48 -0.16 -0.55 8.60 8.32 2g1hA1 GLU 115 HA 0.06 0.11 0.72 -0.75 4.29 4.43 2g1hA1 GLU 115 HB2 0.04 0.01 0.20 -0.04 2.09 2.29 2g1hA1 GLU 115 HB3 -0.02 0.16 0.23 -0.04 1.99 2.32 2g1hA1 GLU 115 HG2 0.02 -0.06 -0.23 -0.04 2.34 2.04 2g1hA1 GLU 115 HG3 0.21 0.04 0.10 -0.04 2.34 2.66 2g1hA1 MET 116 H -0.11 0.58 -0.10 -0.55 8.47 8.29 2g1hA1 MET 116 HA -0.41 -0.00 0.47 -0.75 4.52 3.83 2g1hA1 MET 116 HB2 -0.15 0.15 0.18 -0.04 2.15 2.29 2g1hA1 MET 116 HB3 -0.59 -0.05 -0.00 -0.04 2.03 1.34 2g1hA1 MET 116 HG2 -0.23 -0.05 0.04 -0.04 2.63 2.34 2g1hA1 MET 116 HG3 -0.11 0.12 0.07 -0.04 2.56 2.59 2g1hA1 MET 116 HE3 0.02 0.03 -0.12 -0.04 2.10 1.98 2g1hA1 ARG 117 H -0.14 0.70 -0.00 -0.55 8.46 8.47 2g1hA1 ARG 117 HA 0.09 0.01 0.46 -0.75 4.34 4.15 2g1hA1 ARG 117 HB2 -0.09 0.10 0.11 -0.04 1.90 1.98 2g1hA1 ARG 117 HB3 -0.12 0.11 0.17 -0.04 1.80 1.91 2g1hA1 ARG 117 HG2 0.01 -0.05 -0.17 -0.04 1.67 1.43 2g1hA1 ARG 117 HG3 0.10 0.00 0.00 -0.04 1.67 1.73 2g1hA1 ARG 117 HD2 -0.24 0.03 -0.05 -0.04 3.22 2.92 2g1hA1 ARG 117 HD3 -0.31 -0.04 -0.03 -0.04 3.22 2.80 2g1hA1 GLY 118 H -0.03 0.61 -0.24 -0.55 8.43 8.22 2g1hA1 GLY 118 HA2 0.08 -0.04 0.30 -0.51 4.01 3.84 2g1hA1 GLY 118 HA3 0.14 0.05 0.17 -0.51 4.01 3.86 2g1hA1 LYS 119 H -0.09 0.54 -0.10 -0.55 8.42 8.21 2g1hA1 LYS 119 HA -0.20 -0.04 0.54 -0.75 4.32 3.88 2g1hA1 LYS 119 HB2 -0.41 0.13 0.20 -0.04 1.87 1.75 2g1hA1 LYS 119 HB3 -0.28 -0.02 0.00 -0.04 1.79 1.45 2g1hA1 LYS 119 HG2 -0.65 -0.08 0.04 -0.04 1.46 0.72 2g1hA1 LYS 119 HG3 -0.15 0.14 0.09 -0.04 1.46 1.50 2g1hA1 LYS 119 HD2 -0.23 0.01 -0.03 -0.04 1.69 1.40 2g1hA1 LYS 119 HD3 -0.27 -0.02 -0.01 -0.04 1.68 1.34 2g1hA1 LYS 119 HE2 -0.31 -0.05 -0.02 -0.04 2.99 2.56 2g1hA1 LYS 119 HE3 -0.03 0.03 -0.05 -0.04 2.99 2.90 2g1hA1 PHE 120 H -0.31 0.74 -0.00 -0.55 8.34 8.22 2g1hA1 PHE 120 HA -0.03 0.03 0.42 -0.75 4.62 4.28 2g1hA1 PHE 120 HB2 0.01 0.09 0.15 -0.04 3.15 3.36 2g1hA1 PHE 120 HB3 0.00 -0.07 0.07 -0.04 3.06 3.02 2g1hA1 PHE 120 HD2 -0.00 -0.04 -0.07 -0.04 7.28 7.13 2g1hA1 PHE 120 HE2 -0.00 -0.02 -0.12 -0.04 7.38 7.20 2g1hA1 PHE 120 HZ -0.00 0.00 -0.07 -0.04 7.32 7.21 2g1hA1 MET 121 H 0.12 0.57 -0.20 -0.55 8.47 8.42 2g1hA1 MET 121 HA 0.07 0.02 0.44 -0.75 4.52 4.29 2g1hA1 MET 121 HB2 0.08 0.09 0.17 -0.04 2.15 2.45 2g1hA1 MET 121 HB3 0.04 -0.10 -0.02 -0.04 2.03 1.91 2g1hA1 MET 121 HG2 0.03 -0.05 0.01 -0.04 2.63 2.58 2g1hA1 MET 121 HG3 0.09 0.11 0.04 -0.04 2.56 2.76 2g1hA1 MET 121 HE3 -0.02 -0.03 -0.02 -0.04 2.10 1.99 2g1hA1 GLN 122 H 0.08 0.55 -0.09 -0.55 8.47 8.46 2g1hA1 GLN 122 HA 0.09 -0.06 0.38 -0.75 4.36 4.01 2g1hA1 GLN 122 HB2 0.23 -0.01 0.21 -0.04 2.15 2.53 2g1hA1 GLN 122 HB3 -0.08 0.12 0.14 -0.04 2.02 2.17 2g1hA1 GLN 122 HG2 0.07 -0.05 0.04 -0.04 2.40 2.42 2g1hA1 GLN 122 HG3 0.04 0.04 -0.00 -0.04 2.39 2.43 2g1hA1 GLN 122 HE21 0.12 -0.03 0.12 -0.04 6.97 7.14 2g1hA1 GLN 122 HE22 0.10 0.03 0.11 -0.04 7.69 7.90 2g1hA1 GLU 123 H 0.03 0.42 -0.37 -0.55 8.60 8.12 2g1hA1 GLU 123 HA -0.01 0.07 0.50 -0.75 4.29 4.09 2g1hA1 GLU 123 HB2 -0.02 -0.07 0.08 -0.04 2.09 2.03 2g1hA1 GLU 123 HB3 -0.04 0.02 0.05 -0.04 1.99 1.99 2g1hA1 GLU 123 HG2 0.08 0.25 -0.02 -0.04 2.34 2.60 2g1hA1 GLU 123 HG3 0.02 -0.03 -0.22 -0.04 2.34 2.07 2g1hA1 ALA 124 H 0.03 0.33 -0.47 -0.55 8.40 7.75 2g1hA1 ALA 124 HA 0.01 -0.03 0.24 -0.75 4.34 3.81 2g1hA1 ALA 124 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 2g1hA1 VAL 125 H 0.01 0.19 -0.10 -0.55 8.24 7.79 2g1hA1 VAL 125 HA 0.01 0.22 0.74 -0.75 4.13 4.35 2g1hA1 VAL 125 HB 0.02 0.01 0.08 -0.04 2.12 2.19 2g1hA1 VAL 125 HG13 -0.02 -0.01 -0.15 -0.04 0.97 0.75 2g1hA1 VAL 125 HG23 -0.00 -0.02 -0.15 -0.04 0.95 0.74 2g1hA1 PRO 126 HA 0.01 0.03 0.52 -0.51 4.44 4.49 2g1hA1 PRO 126 HB2 0.02 0.01 0.01 -0.04 2.28 2.28 2g1hA1 PRO 126 HB3 0.01 0.04 0.11 -0.04 2.02 2.14 2g1hA1 PRO 126 HG2 0.02 0.02 0.09 -0.04 2.03 2.12 2g1hA1 PRO 126 HG3 0.01 0.06 0.09 -0.04 2.03 2.15 2g1hA1 PRO 126 HD2 0.03 0.05 0.22 -0.04 3.68 3.93 2g1hA1 PRO 126 HD3 0.01 0.22 0.18 -0.04 3.65 4.03 2g1hA1 GLU 127 H 0.02 0.13 0.22 -0.55 8.60 8.42 2g1hA1 GLU 127 HA 0.02 -0.02 0.60 -0.75 4.29 4.14 2g1hA1 GLU 127 HB2 0.02 -0.00 0.17 -0.04 2.09 2.23 2g1hA1 GLU 127 HB3 0.02 0.01 0.05 -0.04 1.99 2.03 2g1hA1 GLU 127 HG2 0.03 0.08 0.17 -0.04 2.34 2.58 2g1hA1 GLU 127 HG3 0.03 0.01 0.12 -0.04 2.34 2.46 2g1hA1 GLY 128 H 0.02 0.10 0.25 -0.55 8.43 8.25 2g1hA1 GLY 128 HA2 0.02 0.01 0.38 -0.51 4.01 3.90 2g1hA1 GLY 128 HA3 0.02 0.15 0.61 -0.51 4.01 4.28 2g1hA1 THR 129 H 0.03 0.43 -0.11 -0.55 8.28 8.08 2g1hA1 THR 129 HA 0.06 0.09 0.74 -0.75 4.39 4.52 2g1hA1 THR 129 HB 0.03 0.11 0.09 -0.04 4.32 4.51 2g1hA1 THR 129 HG23 0.12 -0.03 -0.00 -0.04 1.22 1.27 2g1hA1 GLY 130 H 0.02 0.04 0.11 -0.55 8.43 8.05 2g1hA1 GLY 130 HA2 -0.00 0.18 0.91 -0.51 4.01 4.59 2g1hA1 GLY 130 HA3 -0.01 0.11 0.36 -0.51 4.01 3.96 2g1hA1 ALA 131 H -0.00 0.58 0.35 -0.55 8.40 8.78 2g1hA1 ALA 131 HA 0.00 -0.02 0.47 -0.75 4.34 4.05 2g1hA1 ALA 131 HB3 0.01 0.03 -0.01 -0.04 1.41 1.41 2g1hA1 MET 132 H 0.00 0.15 0.22 -0.55 8.47 8.30 2g1hA1 MET 132 HA -0.00 0.30 0.88 -0.75 4.52 4.94 2g1hA1 MET 132 HB2 -0.00 -0.10 0.03 -0.04 2.15 2.04 2g1hA1 MET 132 HB3 -0.00 0.05 0.07 -0.04 2.03 2.11 2g1hA1 MET 132 HG2 -0.00 0.06 -0.00 -0.04 2.63 2.64 2g1hA1 MET 132 HG3 -0.00 -0.06 -0.32 -0.04 2.56 2.13 2g1hA1 MET 132 HE3 0.02 0.00 -0.11 -0.04 2.10 1.97 2g1hA1 ALA 133 H -0.01 0.70 0.29 -0.55 8.40 8.83 2g1hA1 ALA 133 HA -0.00 0.20 0.76 -0.75 4.34 4.54 2g1hA1 ALA 133 HB3 0.00 0.00 -0.20 -0.04 1.41 1.18 2g1hA1 ALA 134 H -0.00 0.60 0.20 -0.55 8.40 8.66 2g1hA1 ALA 134 HA -0.01 0.12 0.92 -0.75 4.34 4.62 2g1hA1 ALA 134 HB3 -0.00 -0.01 0.04 -0.04 1.41 1.39 2g1hA1 ILE 135 H -0.01 0.84 0.41 -0.55 8.25 8.94 2g1hA1 ILE 135 HA 0.01 0.25 0.98 -0.75 4.18 4.66 2g1hA1 ILE 135 HB 0.00 -0.05 0.16 -0.04 1.89 1.96 2g1hA1 ILE 135 HG12 -0.01 0.03 -0.05 -0.04 1.49 1.41 2g1hA1 ILE 135 HG13 0.00 -0.02 -0.10 -0.04 1.21 1.05 2g1hA1 ILE 135 HG23 0.02 -0.01 -0.17 -0.04 0.93 0.73 2g1hA1 ILE 135 HD13 0.00 0.02 -0.20 -0.04 0.88 0.66 2g1hA1 ILE 136 H 0.01 0.80 0.27 -0.55 8.25 8.79 2g1hA1 ILE 136 HA 0.02 0.32 0.92 -0.75 4.18 4.68 2g1hA1 ILE 136 HB 0.01 -0.03 0.12 -0.04 1.89 1.95 2g1hA1 ILE 136 HG12 0.02 0.10 0.02 -0.04 1.49 1.58 2g1hA1 ILE 136 HG13 0.01 -0.08 -0.35 -0.04 1.21 0.74 2g1hA1 ILE 136 HG23 0.01 -0.00 -0.08 -0.04 0.93 0.82 2g1hA1 ILE 136 HD13 0.01 -0.01 -0.07 -0.04 0.88 0.77 2g1hA1 GLY 137 H 0.03 0.43 0.32 -0.55 8.43 8.66 2g1hA1 GLY 137 HA2 0.03 0.05 0.37 -0.51 4.01 3.95 2g1hA1 GLY 137 HA3 0.02 0.07 0.43 -0.51 4.01 4.02 2g1hA1 LEU 138 H 0.03 0.11 -0.08 -0.55 8.37 7.89 2g1hA1 LEU 138 HA 0.03 0.25 0.65 -0.75 4.35 4.52 2g1hA1 LEU 138 HB2 0.02 0.07 -0.26 -0.04 1.64 1.44 2g1hA1 LEU 138 HB3 0.03 -0.06 -0.16 -0.04 1.64 1.41 2g1hA1 LEU 138 HG 0.03 0.13 -0.09 -0.04 1.64 1.66 2g1hA1 LEU 138 HD13 0.03 0.02 -0.20 -0.04 0.93 0.73 2g1hA1 LEU 138 HD23 0.04 -0.11 -0.14 -0.04 0.89 0.64 2g1hA1 ASP 139 H 0.03 0.21 0.08 -0.55 8.40 8.18 2g1hA1 ASP 139 HA 0.05 0.08 0.39 -0.75 4.63 4.40 2g1hA1 ASP 139 HB2 0.03 0.01 0.12 -0.04 2.71 2.83 2g1hA1 ASP 139 HB3 0.03 0.15 0.11 -0.04 2.70 2.95 2g1hA1 ASP 140 H 0.07 0.19 0.19 -0.55 8.40 8.31 2g1hA1 ASP 140 HA 0.20 0.11 0.22 -0.75 4.63 4.40 2g1hA1 ASP 140 HB2 0.03 -0.01 0.15 -0.04 2.71 2.84 2g1hA1 ASP 140 HB3 0.09 0.06 -0.00 -0.04 2.70 2.81 2g1hA1 ALA 141 H 0.05 0.06 -0.28 -0.55 8.40 7.68 2g1hA1 ALA 141 HA 0.05 0.11 0.29 -0.75 4.34 4.04 2g1hA1 ALA 141 HB3 0.02 0.03 0.04 -0.04 1.41 1.46 2g1hA1 SER 142 H 0.04 0.11 -0.15 -0.55 8.46 7.91 2g1hA1 SER 142 HA 0.03 0.07 0.38 -0.75 4.49 4.22 2g1hA1 SER 142 HB2 0.03 0.06 0.03 -0.04 3.95 4.03 2g1hA1 SER 142 HB3 0.03 0.09 0.01 -0.04 3.93 4.01 2g1hA1 ILE 143 H 0.06 0.31 -0.54 -0.55 8.25 7.54 2g1hA1 ILE 143 HA 0.04 0.08 0.35 -0.75 4.18 3.89 2g1hA1 ILE 143 HB 0.09 0.16 0.06 -0.04 1.89 2.16 2g1hA1 ILE 143 HG12 0.03 -0.01 -0.14 -0.04 1.49 1.32 2g1hA1 ILE 143 HG13 0.05 0.09 -0.26 -0.04 1.21 1.05 2g1hA1 ILE 143 HG23 0.01 -0.01 -0.20 -0.04 0.93 0.69 2g1hA1 ILE 143 HD13 0.05 -0.03 -0.16 -0.04 0.88 0.69 2g1hA1 ALA 144 H 0.09 0.44 0.01 -0.55 8.40 8.39 2g1hA1 ALA 144 HA 0.07 0.03 0.46 -0.75 4.34 4.14 2g1hA1 ALA 144 HB3 0.09 0.03 0.14 -0.04 1.41 1.63 2g1hA1 LYS 145 H 0.04 0.46 -0.26 -0.55 8.42 8.11 2g1hA1 LYS 145 HA 0.03 0.03 0.49 -0.75 4.32 4.11 2g1hA1 LYS 145 HB2 0.03 -0.02 0.07 -0.04 1.87 1.90 2g1hA1 LYS 145 HB3 0.03 0.09 0.13 -0.04 1.79 1.99 2g1hA1 LYS 145 HG2 0.02 0.06 -0.39 -0.04 1.46 1.11 2g1hA1 LYS 145 HG3 0.02 -0.05 -0.04 -0.04 1.46 1.35 2g1hA1 LYS 145 HD2 0.02 -0.03 -0.02 -0.04 1.69 1.62 2g1hA1 LYS 145 HD3 0.02 0.03 -0.03 -0.04 1.68 1.66 2g1hA1 LYS 145 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 2g1hA1 LYS 145 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.93 2g1hA1 ALA 146 H 0.03 0.53 -0.13 -0.55 8.40 8.29 2g1hA1 ALA 146 HA 0.02 0.02 0.41 -0.75 4.34 4.04 2g1hA1 ALA 146 HB3 0.02 0.04 0.03 -0.04 1.41 1.46 2g1hA1 CYS 147 H 0.03 0.48 -0.37 -0.55 8.50 8.09 2g1hA1 CYS 147 HA 0.02 -0.00 0.33 -0.75 4.58 4.18 2g1hA1 CYS 147 HB2 0.03 0.11 0.16 -0.04 2.97 3.23 2g1hA1 CYS 147 HB3 0.03 0.17 -0.14 -0.04 2.97 2.99 2g1hA1 GLU 148 H 0.03 0.58 0.00 -0.55 8.60 8.66 2g1hA1 GLU 148 HA 0.03 0.00 0.50 -0.75 4.29 4.07 2g1hA1 GLU 148 HB2 0.03 0.09 0.26 -0.04 2.09 2.43 2g1hA1 GLU 148 HB3 0.02 -0.05 0.03 -0.04 1.99 1.95 2g1hA1 GLU 148 HG2 0.03 -0.05 0.09 -0.04 2.34 2.36 2g1hA1 GLU 148 HG3 0.04 0.11 0.14 -0.04 2.34 2.59 2g1hA1 GLU 149 H 0.02 0.63 -0.17 -0.55 8.60 8.53 2g1hA1 GLU 149 HA 0.02 -0.02 0.30 -0.75 4.29 3.84 2g1hA1 GLU 149 HB2 0.02 0.11 0.08 -0.04 2.09 2.25 2g1hA1 GLU 149 HB3 0.01 -0.05 0.02 -0.04 1.99 1.93 2g1hA1 GLU 149 HG2 0.02 -0.08 0.02 -0.04 2.34 2.25 2g1hA1 GLU 149 HG3 0.02 0.27 0.07 -0.04 2.34 2.65 2g1hA1 ALA 150 H 0.02 0.30 -0.56 -0.55 8.40 7.61 2g1hA1 ALA 150 HA 0.02 0.05 0.25 -0.75 4.34 3.90 2g1hA1 ALA 150 HB3 0.02 -0.01 -0.06 -0.04 1.41 1.32 2g1hA1 ALA 151 H 0.02 0.38 -0.31 -0.55 8.40 7.95 2g1hA1 ALA 151 HA 0.04 -0.08 0.11 -0.75 4.34 3.65 2g1hA1 ALA 151 HB3 0.03 0.08 0.13 -0.04 1.41 1.62 2g1hA1 GLU 152 H 0.02 0.22 -0.04 -0.55 8.60 8.25 2g1hA1 GLU 152 HA 0.01 0.02 0.30 -0.75 4.29 3.86 2g1hA1 GLU 152 HB2 0.01 0.17 -0.22 -0.04 2.09 2.00 2g1hA1 GLU 152 HB3 0.00 -0.06 0.18 -0.04 1.99 2.07 2g1hA1 GLU 152 HG2 0.01 0.12 -0.27 -0.04 2.34 2.15 2g1hA1 GLU 152 HG3 0.01 -0.04 -0.05 -0.04 2.34 2.21 2g1hA1 GLY 153 H 0.02 0.09 -0.19 -0.55 8.43 7.80 2g1hA1 GLY 153 HA2 0.01 -0.03 0.31 -0.51 4.01 3.80 2g1hA1 GLY 153 HA3 -0.00 0.07 0.39 -0.51 4.01 3.96 2g1hA1 GLN 154 H 0.01 0.51 -0.58 -0.55 8.47 7.86 2g1hA1 GLN 154 HA -0.01 0.14 0.80 -0.75 4.36 4.54 2g1hA1 GLN 154 HB2 0.04 0.23 0.08 -0.04 2.15 2.46 2g1hA1 GLN 154 HB3 0.13 -0.25 0.23 -0.04 2.02 2.09 2g1hA1 GLN 154 HG2 -0.26 -0.00 0.09 -0.04 2.40 2.19 2g1hA1 GLN 154 HG3 -0.07 0.15 0.01 -0.04 2.39 2.44 2g1hA1 GLN 154 HE21 -0.06 -0.12 0.06 -0.04 6.97 6.81 2g1hA1 GLN 154 HE22 -0.39 0.05 0.09 -0.04 7.69 7.41 2g1hA1 VAL 155 H 0.65 0.08 0.19 -0.55 8.24 8.61 2g1hA1 VAL 155 HA 0.09 0.24 0.95 -0.75 4.13 4.66 2g1hA1 VAL 155 HB -0.06 -0.10 0.18 -0.04 2.12 2.11 2g1hA1 VAL 155 HG13 -0.00 -0.02 -0.10 -0.04 0.97 0.81 2g1hA1 VAL 155 HG23 0.09 0.03 -0.11 -0.04 0.95 0.91 2g1hA1 VAL 156 H 0.05 0.37 0.14 -0.55 8.24 8.24 2g1hA1 VAL 156 HA 0.02 0.24 0.35 -0.75 4.13 3.99 2g1hA1 VAL 156 HB 0.04 -0.00 -0.14 -0.04 2.12 1.98 2g1hA1 VAL 156 HG13 0.04 0.02 -0.20 -0.04 0.97 0.79 2g1hA1 VAL 156 HG23 0.02 -0.00 -0.28 -0.04 0.95 0.65 2g1hA1 SER 157 H 0.01 0.53 0.29 -0.55 8.46 8.75 2g1hA1 SER 157 HA 0.03 0.11 0.64 -0.75 4.49 4.52 2g1hA1 SER 157 HB2 0.04 0.09 0.13 -0.04 3.95 4.18 2g1hA1 SER 157 HB3 0.04 0.04 -0.10 -0.04 3.93 3.86 2g1hA1 PRO 158 HA -0.15 0.08 0.70 -0.51 4.44 4.55 2g1hA1 PRO 158 HB2 -0.32 0.02 0.02 -0.04 2.28 1.97 2g1hA1 PRO 158 HB3 -0.45 -0.00 0.02 -0.04 2.02 1.55 2g1hA1 PRO 158 HG2 0.16 0.02 0.07 -0.04 2.03 2.24 2g1hA1 PRO 158 HG3 0.01 0.02 -0.08 -0.04 2.03 1.94 2g1hA1 PRO 158 HD2 0.06 0.14 0.24 -0.04 3.68 4.09 2g1hA1 PRO 158 HD3 0.03 0.14 0.19 -0.04 3.65 3.97 2g1hA1 VAL 159 H -0.15 0.72 0.47 -0.55 8.24 8.73 2g1hA1 VAL 159 HA -0.01 0.31 0.99 -0.75 4.13 4.66 2g1hA1 VAL 159 HB 0.13 0.02 -0.08 -0.04 2.12 2.15 2g1hA1 VAL 159 HG13 0.03 0.11 -0.38 -0.04 0.97 0.69 2g1hA1 VAL 159 HG23 0.01 -0.03 -0.31 -0.04 0.95 0.58 2g1hA1 ASN 160 H -0.16 0.41 0.31 -0.55 8.53 8.54 2g1hA1 ASN 160 HA -0.01 0.19 0.89 -0.75 4.76 5.08 2g1hA1 ASN 160 HB2 0.02 -0.12 0.23 -0.04 2.88 2.97 2g1hA1 ASN 160 HB3 0.12 -0.01 -0.02 -0.04 2.79 2.85 2g1hA1 ASN 160 HD21 0.29 -0.04 -0.08 -0.04 7.03 7.16 2g1hA1 ASN 160 HD22 0.07 0.47 -0.04 -0.04 7.74 8.19 2g1hA1 PHE 161 H 0.18 0.61 0.17 -0.55 8.34 8.75 2g1hA1 PHE 161 HA 0.08 0.17 1.05 -0.75 4.62 5.16 2g1hA1 PHE 161 HB2 0.06 -0.05 0.28 -0.04 3.15 3.40 2g1hA1 PHE 161 HB3 0.06 -0.02 0.06 -0.04 3.06 3.12 2g1hA1 PHE 161 HD2 0.03 0.03 -0.08 -0.04 7.28 7.21 2g1hA1 PHE 161 HE2 0.02 0.05 -0.06 -0.04 7.38 7.35 2g1hA1 PHE 161 HZ 0.02 0.04 -0.02 -0.04 7.32 7.32 2g1hA1 ASN 162 H 0.17 0.55 0.27 -0.55 8.53 8.96 2g1hA1 ASN 162 HA 0.39 0.01 0.40 -0.75 4.76 4.81 2g1hA1 ASN 162 HB2 0.11 0.18 0.05 -0.04 2.88 3.17 2g1hA1 ASN 162 HB3 0.12 0.01 -0.08 -0.04 2.79 2.79 2g1hA1 ASN 162 HD21 0.03 -0.02 -0.09 -0.04 7.03 6.91 2g1hA1 ASN 162 HD22 0.02 0.05 -0.13 -0.04 7.74 7.63 2g1hA1 SER 163 H 0.15 0.52 0.30 -0.55 8.46 8.89 2g1hA1 SER 163 HA 0.14 0.07 0.01 -0.75 4.49 3.96 2g1hA1 SER 163 HB2 0.09 0.14 -0.04 -0.04 3.95 4.09 2g1hA1 SER 163 HB3 0.15 0.14 0.14 -0.04 3.93 4.31 2g1hA1 PRO 164 HA 0.08 -0.09 0.58 -0.51 4.44 4.49 2g1hA1 PRO 164 HB2 0.04 0.12 0.15 -0.04 2.28 2.54 2g1hA1 PRO 164 HB3 0.04 -0.03 0.11 -0.04 2.02 2.09 2g1hA1 PRO 164 HG2 0.03 0.28 0.18 -0.04 2.03 2.49 2g1hA1 PRO 164 HG3 0.03 -0.04 0.10 -0.04 2.03 2.08 2g1hA1 PRO 164 HD2 0.06 0.27 -0.00 -0.04 3.68 3.96 2g1hA1 PRO 164 HD3 0.06 0.05 0.09 -0.04 3.65 3.81 2g1hA1 GLY 165 H 0.08 0.12 0.23 -0.55 8.43 8.31 2g1hA1 GLY 165 HA2 0.05 -0.05 0.36 -0.51 4.01 3.86 2g1hA1 GLY 165 HA3 0.04 0.18 0.58 -0.51 4.01 4.31 2g1hA1 GLN 166 H 0.08 0.64 -0.17 -0.55 8.47 8.48 2g1hA1 GLN 166 HA 0.04 0.23 0.62 -0.75 4.36 4.49 2g1hA1 GLN 166 HB2 0.07 -0.17 0.08 -0.04 2.15 2.09 2g1hA1 GLN 166 HB3 0.03 -0.00 0.02 -0.04 2.02 2.03 2g1hA1 GLN 166 HG2 0.04 0.23 -0.41 -0.04 2.40 2.22 2g1hA1 GLN 166 HG3 0.05 0.05 -0.42 -0.04 2.39 2.03 2g1hA1 GLN 166 HE21 0.02 -0.01 -0.08 -0.04 6.97 6.85 2g1hA1 GLN 166 HE22 0.02 0.04 -0.07 -0.04 7.69 7.64 2g1hA1 VAL 167 H 0.02 0.62 0.24 -0.55 8.24 8.57 2g1hA1 VAL 167 HA -0.02 0.19 1.15 -0.75 4.13 4.69 2g1hA1 VAL 167 HB 0.00 0.02 0.11 -0.04 2.12 2.21 2g1hA1 VAL 167 HG13 -0.26 0.01 -0.12 -0.04 0.97 0.57 2g1hA1 VAL 167 HG23 0.14 -0.05 -0.09 -0.04 0.95 0.91 2g1hA1 VAL 168 H -0.08 0.46 0.42 -0.55 8.24 8.49 2g1hA1 VAL 168 HA -0.03 0.28 1.16 -0.75 4.13 4.80 2g1hA1 VAL 168 HB -0.01 -0.12 0.16 -0.04 2.12 2.10 2g1hA1 VAL 168 HG13 -0.00 0.03 -0.15 -0.04 0.97 0.80 2g1hA1 VAL 168 HG23 0.00 -0.00 -0.07 -0.04 0.95 0.84 2g1hA1 ILE 169 H -0.03 0.74 0.41 -0.55 8.25 8.83 2g1hA1 ILE 169 HA -0.05 0.16 1.04 -0.75 4.18 4.58 2g1hA1 ILE 169 HB -0.01 0.04 -0.07 -0.04 1.89 1.81 2g1hA1 ILE 169 HG12 -0.01 0.08 0.01 -0.04 1.49 1.53 2g1hA1 ILE 169 HG13 -0.01 -0.10 -0.18 -0.04 1.21 0.89 2g1hA1 ILE 169 HG23 -0.04 -0.01 -0.23 -0.04 0.93 0.61 2g1hA1 ILE 169 HD13 0.00 0.02 -0.19 -0.04 0.88 0.67 2g1hA1 ALA 170 H -0.01 0.56 0.32 -0.55 8.40 8.72 2g1hA1 ALA 170 HA -0.00 0.21 0.75 -0.75 4.34 4.55 2g1hA1 ALA 170 HB3 -0.00 0.01 -0.08 -0.04 1.41 1.30 2g1hA1 GLY 171 H -0.02 0.44 0.34 -0.55 8.43 8.64 2g1hA1 GLY 171 HA2 -0.09 -0.05 0.35 -0.51 4.01 3.71 2g1hA1 GLY 171 HA3 -0.02 0.28 0.60 -0.51 4.01 4.36 2g1hA1 HIS 172 H -0.07 0.36 0.33 -0.55 8.41 8.48 2g1hA1 HIS 172 HA 0.01 0.25 0.78 -0.75 4.63 4.91 2g1hA1 HIS 172 HB2 0.01 -0.03 0.26 -0.04 3.26 3.46 2g1hA1 HIS 172 HB3 0.01 -0.02 0.15 -0.04 3.20 3.29 2g1hA1 HIS 172 HD2 0.00 0.09 0.12 -0.04 6.97 7.14 2g1hA1 HIS 172 HE1 0.00 0.07 0.07 -0.04 7.75 7.85 2g1hA1 LYS 173 H 0.09 0.77 0.34 -0.55 8.42 9.07 2g1hA1 LYS 173 HA 0.04 0.01 0.19 -0.75 4.32 3.80 2g1hA1 LYS 173 HB2 0.03 0.13 -0.18 -0.04 1.87 1.81 2g1hA1 LYS 173 HB3 0.05 0.02 0.12 -0.04 1.79 1.93 2g1hA1 LYS 173 HG2 0.02 -0.02 -0.18 -0.04 1.46 1.25 2g1hA1 LYS 173 HG3 0.02 -0.08 -0.11 -0.04 1.46 1.25 2g1hA1 LYS 173 HD2 0.02 0.03 -0.04 -0.04 1.69 1.66 2g1hA1 LYS 173 HD3 0.02 0.10 0.00 -0.04 1.68 1.76 2g1hA1 LYS 173 HE2 0.01 0.01 -0.00 -0.04 2.99 2.97 2g1hA1 LYS 173 HE3 0.01 -0.03 -0.04 -0.04 2.99 2.89 2g1hA1 GLU 174 H 0.06 0.14 -0.15 -0.55 8.60 8.11 2g1hA1 GLU 174 HA 0.02 0.07 0.31 -0.75 4.29 3.93 2g1hA1 GLU 174 HB2 0.01 -0.01 0.07 -0.04 2.09 2.13 2g1hA1 GLU 174 HB3 0.01 0.06 0.01 -0.04 1.99 2.03 2g1hA1 GLU 174 HG2 -0.00 0.05 0.04 -0.04 2.34 2.38 2g1hA1 GLU 174 HG3 0.01 0.00 0.03 -0.04 2.34 2.35 2g1hA1 ALA 175 H 0.07 0.11 -0.24 -0.55 8.40 7.80 2g1hA1 ALA 175 HA 0.03 0.18 0.41 -0.75 4.34 4.20 2g1hA1 ALA 175 HB3 0.07 0.04 -0.09 -0.04 1.41 1.39 2g1hA1 VAL 176 H 0.04 0.57 -0.28 -0.55 8.24 8.02 2g1hA1 VAL 176 HA 0.02 -0.00 0.29 -0.75 4.13 3.69 2g1hA1 VAL 176 HB 0.02 0.14 -0.08 -0.04 2.12 2.16 2g1hA1 VAL 176 HG13 0.01 -0.03 -0.40 -0.04 0.97 0.51 2g1hA1 VAL 176 HG23 0.02 0.05 -0.33 -0.04 0.95 0.65 2g1hA1 GLU 177 H 0.02 0.52 -0.23 -0.55 8.60 8.37 2g1hA1 GLU 177 HA 0.01 0.02 0.51 -0.75 4.29 4.07 2g1hA1 GLU 177 HB2 0.01 0.21 0.18 -0.04 2.09 2.46 2g1hA1 GLU 177 HB3 0.01 -0.04 -0.01 -0.04 1.99 1.91 2g1hA1 GLU 177 HG2 0.01 -0.04 0.01 -0.04 2.34 2.28 2g1hA1 GLU 177 HG3 0.02 0.13 0.03 -0.04 2.34 2.48 2g1hA1 ARG 178 H 0.02 0.55 -0.07 -0.55 8.46 8.40 2g1hA1 ARG 178 HA 0.01 -0.01 0.34 -0.75 4.34 3.92 2g1hA1 ARG 178 HB2 0.02 0.15 0.16 -0.04 1.90 2.19 2g1hA1 ARG 178 HB3 0.01 -0.03 0.01 -0.04 1.80 1.75 2g1hA1 ARG 178 HG2 0.01 -0.07 0.04 -0.04 1.67 1.61 2g1hA1 ARG 178 HG3 0.01 0.02 0.08 -0.04 1.67 1.75 2g1hA1 ARG 178 HD2 0.01 0.24 0.04 -0.04 3.22 3.47 2g1hA1 ARG 178 HD3 0.01 -0.03 -0.00 -0.04 3.22 3.15 2g1hA1 ALA 179 H 0.02 0.49 -0.40 -0.55 8.40 7.96 2g1hA1 ALA 179 HA 0.02 0.09 0.18 -0.75 4.34 3.87 2g1hA1 ALA 179 HB3 0.02 0.00 -0.08 -0.04 1.41 1.31 2g1hA1 GLY 180 H 0.01 0.64 -0.17 -0.55 8.43 8.36 2g1hA1 GLY 180 HA2 0.01 -0.06 0.42 -0.51 4.01 3.87 2g1hA1 GLY 180 HA3 0.01 0.11 0.27 -0.51 4.01 3.89 2g1hA1 ALA 181 H 0.01 0.62 -0.18 -0.55 8.40 8.30 2g1hA1 ALA 181 HA 0.01 -0.02 0.31 -0.75 4.34 3.89 2g1hA1 ALA 181 HB3 0.01 0.03 0.07 -0.04 1.41 1.48 2g1hA1 ALA 182 H 0.01 0.53 -0.26 -0.55 8.40 8.14 2g1hA1 ALA 182 HA 0.01 0.00 0.36 -0.75 4.34 3.96 2g1hA1 ALA 182 HB3 0.01 0.02 0.08 -0.04 1.41 1.48 2g1hA1 CYS 183 H 0.01 0.65 -0.18 -0.55 8.50 8.43 2g1hA1 CYS 183 HA 0.02 -0.02 0.40 -0.75 4.58 4.23 2g1hA1 CYS 183 HB2 0.01 0.20 0.19 -0.04 2.97 3.32 2g1hA1 CYS 183 HB3 0.01 -0.10 -0.08 -0.04 2.97 2.76 2g1hA1 LYS 184 H 0.01 0.66 -0.06 -0.55 8.42 8.48 2g1hA1 LYS 184 HA 0.01 0.11 0.43 -0.75 4.32 4.12 2g1hA1 LYS 184 HB2 0.01 0.16 0.15 -0.04 1.87 2.14 2g1hA1 LYS 184 HB3 0.01 -0.02 -0.06 -0.04 1.79 1.67 2g1hA1 LYS 184 HG2 0.01 -0.02 -0.08 -0.04 1.46 1.32 2g1hA1 LYS 184 HG3 0.01 -0.05 -0.05 -0.04 1.46 1.33 2g1hA1 LYS 184 HD2 0.01 0.18 -0.03 -0.04 1.69 1.81 2g1hA1 LYS 184 HD3 0.01 -0.17 -0.29 -0.04 1.68 1.19 2g1hA1 LYS 184 HE2 0.01 -0.05 -0.04 -0.04 2.99 2.86 2g1hA1 LYS 184 HE3 0.01 0.03 -0.03 -0.04 2.99 2.95 2g1hA1 ALA 185 H 0.01 0.55 -0.23 -0.55 8.40 8.19 2g1hA1 ALA 185 HA 0.01 -0.01 0.34 -0.75 4.34 3.93 2g1hA1 ALA 185 HB3 0.01 0.01 0.10 -0.04 1.41 1.49 2g1hA1 ALA 186 H 0.01 0.38 -0.39 -0.55 8.40 7.86 2g1hA1 ALA 186 HA 0.01 0.04 0.59 -0.75 4.34 4.23 2g1hA1 ALA 186 HB3 0.02 -0.04 0.10 -0.04 1.41 1.45 2g1hA1 GLY 187 H 0.01 0.38 -0.33 -0.55 8.43 7.95 2g1hA1 GLY 187 HA2 0.01 0.05 0.19 -0.51 4.01 3.74 2g1hA1 GLY 187 HA3 0.01 0.06 0.68 -0.51 4.01 4.25 2g1hA1 ALA 188 H 0.01 0.42 0.06 -0.55 8.40 8.35 2g1hA1 ALA 188 HA 0.02 0.08 0.21 -0.75 4.34 3.90 2g1hA1 ALA 188 HB3 0.01 -0.04 -0.29 -0.04 1.41 1.05 2g1hA1 LYS 189 H 0.01 0.35 0.40 -0.55 8.42 8.63 2g1hA1 LYS 189 HA 0.01 0.07 0.41 -0.75 4.32 4.05 2g1hA1 LYS 189 HB2 0.01 0.00 0.14 -0.04 1.87 1.98 2g1hA1 LYS 189 HB3 0.01 0.03 0.06 -0.04 1.79 1.85 2g1hA1 LYS 189 HG2 0.01 -0.07 -0.16 -0.04 1.46 1.19 2g1hA1 LYS 189 HG3 0.01 0.00 -0.04 -0.04 1.46 1.38 2g1hA1 LYS 189 HD2 0.01 0.03 0.03 -0.04 1.69 1.72 2g1hA1 LYS 189 HD3 0.01 -0.03 -0.02 -0.04 1.68 1.59 2g1hA1 LYS 189 HE2 0.01 -0.03 -0.01 -0.04 2.99 2.92 2g1hA1 LYS 189 HE3 0.01 -0.02 -0.02 -0.04 2.99 2.91 2g1hA1 ARG 190 H 0.01 0.36 0.18 -0.55 8.46 8.46 2g1hA1 ARG 190 HA 0.01 0.18 0.49 -0.75 4.34 4.26 2g1hA1 ARG 190 HB2 0.01 -0.09 0.01 -0.04 1.90 1.79 2g1hA1 ARG 190 HB3 0.00 -0.03 0.01 -0.04 1.80 1.75 2g1hA1 ARG 190 HG2 0.01 0.27 0.10 -0.04 1.67 2.01 2g1hA1 ARG 190 HG3 0.01 -0.06 -0.30 -0.04 1.67 1.28 2g1hA1 ARG 190 HD2 0.00 -0.05 -0.04 -0.04 3.22 3.09 2g1hA1 ARG 190 HD3 0.00 -0.01 -0.01 -0.04 3.22 3.16 2g1hA1 ALA 191 H 0.01 0.22 0.00 -0.55 8.40 8.08 2g1hA1 ALA 191 HA 0.00 0.32 0.51 -0.75 4.34 4.42 2g1hA1 ALA 191 HB3 0.01 0.00 0.06 -0.04 1.41 1.44 2g1hA1 LEU 192 H 0.00 0.49 0.11 -0.55 8.37 8.42 2g1hA1 LEU 192 HA 0.00 0.17 0.52 -0.75 4.35 4.29 2g1hA1 LEU 192 HB2 -0.00 -0.06 0.14 -0.04 1.64 1.68 2g1hA1 LEU 192 HB3 -0.00 0.08 -0.05 -0.04 1.64 1.62 2g1hA1 LEU 192 HG 0.00 -0.05 -0.03 -0.04 1.64 1.52 2g1hA1 LEU 192 HD13 -0.00 0.00 -0.02 -0.04 0.93 0.86 2g1hA1 LEU 192 HD23 0.00 0.02 -0.04 -0.04 0.89 0.83 2g1hA1 PRO 193 HA 0.00 0.12 0.79 -0.51 4.44 4.84 2g1hA1 PRO 193 HB2 0.00 0.00 0.06 -0.04 2.28 2.30 2g1hA1 PRO 193 HB3 0.00 0.02 0.12 -0.04 2.02 2.13 2g1hA1 PRO 193 HG2 0.00 0.01 0.12 -0.04 2.03 2.12 2g1hA1 PRO 193 HG3 0.00 0.07 0.10 -0.04 2.03 2.17 2g1hA1 PRO 193 HD2 -0.00 0.05 0.26 -0.04 3.68 3.95 2g1hA1 PRO 193 HD3 0.00 0.33 0.42 -0.04 3.65 4.36 2g1hA1 LEU 194 H -0.00 0.48 0.34 -0.55 8.37 8.64 2g1hA1 LEU 194 HA -0.01 0.20 0.64 -0.75 4.35 4.43 2g1hA1 LEU 194 HB2 -0.01 -0.08 -0.11 -0.04 1.64 1.41 2g1hA1 LEU 194 HB3 -0.01 0.04 -0.01 -0.04 1.64 1.61 2g1hA1 LEU 194 HG -0.01 0.05 -0.17 -0.04 1.64 1.47 2g1hA1 LEU 194 HD13 -0.00 -0.29 -0.33 -0.04 0.93 0.26 2g1hA1 LEU 194 HD23 -0.01 -0.01 -0.19 -0.04 0.89 0.64 2g1hA1 PRO 195 HA -0.01 0.08 0.55 -0.51 4.44 4.55 2g1hA1 PRO 195 HB2 -0.01 0.04 0.23 -0.04 2.28 2.50 2g1hA1 PRO 195 HB3 -0.01 0.02 0.13 -0.04 2.02 2.12 2g1hA1 PRO 195 HG2 -0.02 0.02 0.07 -0.04 2.03 2.06 2g1hA1 PRO 195 HG3 -0.02 0.04 0.09 -0.04 2.03 2.09 2g1hA1 PRO 195 HD2 -0.01 0.06 0.17 -0.04 3.68 3.86 2g1hA1 PRO 195 HD3 -0.01 0.18 0.14 -0.04 3.65 3.92 2g1hA1 VAL 196 H -0.00 0.58 -0.05 -0.55 8.24 8.23 2g1hA1 VAL 196 HA -0.00 0.08 0.15 -0.75 4.13 3.60 2g1hA1 VAL 196 HB -0.00 0.00 -0.05 -0.04 2.12 2.03 2g1hA1 VAL 196 HG13 0.00 -0.02 0.27 -0.04 0.97 1.18 2g1hA1 VAL 196 HG23 0.00 -0.11 -0.46 -0.04 0.95 0.34 2g1hA1 SER 197 H 0.01 0.14 0.03 -0.55 8.46 8.09 2g1hA1 SER 197 HA 0.01 -0.02 0.34 -0.75 4.49 4.07 2g1hA1 SER 197 HB2 0.02 0.04 0.33 -0.04 3.95 4.31 2g1hA1 SER 197 HB3 0.03 -0.10 0.40 -0.04 3.93 4.21 2g1hA1 VAL 198 H 0.02 0.23 -0.11 -0.55 8.24 7.83 2g1hA1 VAL 198 HA 0.01 0.13 0.21 -0.75 4.13 3.73 2g1hA1 VAL 198 HB 0.01 -0.05 0.08 -0.04 2.12 2.12 2g1hA1 VAL 198 HG13 0.00 0.02 -0.19 -0.04 0.97 0.76 2g1hA1 VAL 198 HG23 0.06 0.03 0.04 -0.04 0.95 1.03 2g1hA1 PRO 199 HA -0.02 0.12 0.57 -0.51 4.44 4.60 2g1hA1 PRO 199 HB2 -0.05 -0.07 0.13 -0.04 2.28 2.26 2g1hA1 PRO 199 HB3 -0.04 0.04 0.21 -0.04 2.02 2.19 2g1hA1 PRO 199 HG2 -0.05 -0.00 0.00 -0.04 2.03 1.94 2g1hA1 PRO 199 HG3 -0.06 0.00 0.03 -0.04 2.03 1.96 2g1hA1 PRO 199 HD2 -0.01 0.11 0.06 -0.04 3.68 3.79 2g1hA1 PRO 199 HD3 -0.01 0.22 0.10 -0.04 3.65 3.91 2g1hA1 SER 200 H -0.05 0.32 -0.12 -0.55 8.46 8.06 2g1hA1 SER 200 HA -0.13 0.05 0.28 -0.75 4.49 3.94 2g1hA1 SER 200 HB2 -0.18 -0.03 -0.04 -0.04 3.95 3.66 2g1hA1 SER 200 HB3 -0.65 0.03 0.02 -0.04 3.93 3.29 2g1hA1 HIS 201 H -0.11 0.39 0.27 -0.55 8.41 8.41 2g1hA1 HIS 201 HA 0.04 0.18 0.04 -0.75 4.63 4.14 2g1hA1 HIS 201 HB2 0.01 0.00 -0.30 -0.04 3.26 2.94 2g1hA1 HIS 201 HB3 0.01 0.16 0.00 -0.04 3.20 3.33 2g1hA1 HIS 201 HD2 0.04 -0.05 -0.12 -0.04 6.97 6.79 2g1hA1 HIS 201 HE1 0.07 -0.09 -0.09 -0.04 7.75 7.60 2g1hA1 CYS 202 H 0.06 0.13 -0.37 -0.55 8.50 7.77 2g1hA1 CYS 202 HA 0.09 0.32 0.48 -0.75 4.58 4.71 2g1hA1 CYS 202 HB2 0.03 -0.11 0.05 -0.04 2.97 2.90 2g1hA1 CYS 202 HB3 0.03 0.14 -0.24 -0.04 2.97 2.85 2g1hA1 ALA 203 H 0.06 0.17 0.10 -0.55 8.40 8.19 2g1hA1 ALA 203 HA 0.11 0.13 0.28 -0.75 4.34 4.11 2g1hA1 ALA 203 HB3 0.04 0.02 0.10 -0.04 1.41 1.52 2g1hA1 LEU 204 H -0.02 0.06 -0.53 -0.55 8.37 7.34 2g1hA1 LEU 204 HA -0.05 0.08 0.39 -0.75 4.35 4.02 2g1hA1 LEU 204 HB2 -0.08 0.08 -0.02 -0.04 1.64 1.59 2g1hA1 LEU 204 HB3 -0.09 0.04 0.01 -0.04 1.64 1.56 2g1hA1 LEU 204 HG -0.21 -0.09 0.00 -0.04 1.64 1.30 2g1hA1 LEU 204 HD13 -0.49 -0.01 -0.08 -0.04 0.93 0.30 2g1hA1 LEU 204 HD23 -0.20 0.02 0.01 -0.04 0.89 0.68 2g1hA1 MET 205 H 0.04 0.59 -0.35 -0.55 8.47 8.20 2g1hA1 MET 205 HA 0.01 0.12 0.53 -0.75 4.52 4.43 2g1hA1 MET 205 HB2 0.13 0.22 0.03 -0.04 2.15 2.49 2g1hA1 MET 205 HB3 0.10 -0.10 -0.03 -0.04 2.03 1.95 2g1hA1 MET 205 HG2 0.01 0.11 -0.06 -0.04 2.63 2.64 2g1hA1 MET 205 HG3 -0.01 -0.11 0.13 -0.04 2.56 2.53 2g1hA1 MET 205 HE3 -0.01 0.08 -0.24 -0.04 2.10 1.88 2g1hA1 LYS 206 H -0.06 0.51 -0.30 -0.55 8.42 8.01 2g1hA1 LYS 206 HA -0.39 0.00 0.34 -0.75 4.32 3.51 2g1hA1 LYS 206 HB2 -0.18 0.29 0.21 -0.04 1.87 2.15 2g1hA1 LYS 206 HB3 -0.16 0.03 0.10 -0.04 1.79 1.72 2g1hA1 LYS 206 HG2 -0.50 0.02 0.04 -0.04 1.46 0.98 2g1hA1 LYS 206 HG3 -0.25 -0.01 -0.00 -0.04 1.46 1.16 2g1hA1 LYS 206 HD2 -0.32 -0.08 -0.10 -0.04 1.69 1.15 2g1hA1 LYS 206 HD3 -1.09 -0.01 0.01 -0.04 1.68 0.55 2g1hA1 LYS 206 HE2 -0.44 -0.01 -0.07 -0.04 2.99 2.43 2g1hA1 LYS 206 HE3 -0.37 0.03 -0.03 -0.04 2.99 2.57 2g1hA1 PRO 207 HA -0.10 0.00 0.29 -0.51 4.44 4.13 2g1hA1 PRO 207 HB2 -0.05 0.11 -0.02 -0.04 2.28 2.28 2g1hA1 PRO 207 HB3 -0.06 0.02 0.07 -0.04 2.02 2.01 2g1hA1 PRO 207 HG2 -0.04 0.13 0.07 -0.04 2.03 2.14 2g1hA1 PRO 207 HG3 -0.06 0.00 0.07 -0.04 2.03 2.00 2g1hA1 PRO 207 HD2 -0.05 0.29 -0.10 -0.04 3.68 3.78 2g1hA1 PRO 207 HD3 -0.09 0.10 0.13 -0.04 3.65 3.75 2g1hA1 ALA 208 H -0.04 0.20 -0.43 -0.55 8.40 7.58 2g1hA1 ALA 208 HA -0.12 0.05 0.63 -0.75 4.34 4.14 2g1hA1 ALA 208 HB3 0.06 0.05 -0.04 -0.04 1.41 1.44 2g1hA1 ALA 209 H -0.01 0.72 0.04 -0.55 8.40 8.61 2g1hA1 ALA 209 HA 0.09 -0.03 0.40 -0.75 4.34 4.04 2g1hA1 ALA 209 HB3 0.16 0.02 0.09 -0.04 1.41 1.64 2g1hA1 ASP 210 H -0.09 0.48 -0.18 -0.55 8.40 8.07 2g1hA1 ASP 210 HA -0.05 0.01 0.37 -0.75 4.63 4.21 2g1hA1 ASP 210 HB2 -0.10 0.14 0.07 -0.04 2.71 2.77 2g1hA1 ASP 210 HB3 -0.08 -0.02 -0.02 -0.04 2.70 2.54 2g1hA1 LYS 211 H -0.23 0.38 -0.32 -0.55 8.42 7.69 2g1hA1 LYS 211 HA -0.27 0.03 0.55 -0.75 4.32 3.89 2g1hA1 LYS 211 HB2 -0.84 0.17 0.22 -0.04 1.87 1.38 2g1hA1 LYS 211 HB3 -1.51 -0.07 0.01 -0.04 1.79 0.19 2g1hA1 LYS 211 HG2 -0.29 -0.06 0.04 -0.04 1.46 1.11 2g1hA1 LYS 211 HG3 -0.26 0.16 0.10 -0.04 1.46 1.41 2g1hA1 LYS 211 HD2 -0.33 0.02 0.03 -0.04 1.69 1.38 2g1hA1 LYS 211 HD3 -0.36 -0.05 0.01 -0.04 1.68 1.24 2g1hA1 LYS 211 HE2 -0.12 0.02 -0.02 -0.04 2.99 2.82 2g1hA1 LYS 211 HE3 -0.07 0.02 -0.04 -0.04 2.99 2.86 2g1hA1 LEU 212 H -0.18 0.63 -0.05 -0.55 8.37 8.22 2g1hA1 LEU 212 HA 0.29 -0.01 0.41 -0.75 4.35 4.28 2g1hA1 LEU 212 HB2 0.23 0.05 0.09 -0.04 1.64 1.97 2g1hA1 LEU 212 HB3 0.11 0.15 0.15 -0.04 1.64 2.02 2g1hA1 LEU 212 HG 0.19 -0.05 -0.20 -0.04 1.64 1.54 2g1hA1 LEU 212 HD13 0.27 -0.02 0.00 -0.04 0.93 1.13 2g1hA1 LEU 212 HD23 0.24 -0.00 -0.08 -0.04 0.89 1.00 2g1hA1 ALA 213 H -0.00 0.59 -0.25 -0.55 8.40 8.19 2g1hA1 ALA 213 HA 0.03 -0.03 0.32 -0.75 4.34 3.90 2g1hA1 ALA 213 HB3 -0.00 0.05 0.07 -0.04 1.41 1.49 2g1hA1 VAL 214 H -0.03 0.36 -0.39 -0.55 8.24 7.63 2g1hA1 VAL 214 HA 0.00 0.01 0.33 -0.75 4.13 3.72 2g1hA1 VAL 214 HB -0.02 0.16 0.14 -0.04 2.12 2.36 2g1hA1 VAL 214 HG13 0.01 -0.02 -0.07 -0.04 0.97 0.85 2g1hA1 VAL 214 HG23 -0.04 0.06 0.08 -0.04 0.95 1.00 2g1hA1 GLU 215 H 0.09 0.37 -0.17 -0.55 8.60 8.34 2g1hA1 GLU 215 HA 0.09 0.05 0.52 -0.75 4.29 4.19 2g1hA1 GLU 215 HB2 0.22 0.09 0.14 -0.04 2.09 2.50 2g1hA1 GLU 215 HB3 0.14 -0.05 0.01 -0.04 1.99 2.04 2g1hA1 GLU 215 HG2 0.29 0.14 0.04 -0.04 2.34 2.77 2g1hA1 GLU 215 HG3 0.31 -0.05 -0.01 -0.04 2.34 2.55 2g1hA1 LEU 216 H 0.10 0.65 -0.08 -0.55 8.37 8.49 2g1hA1 LEU 216 HA 0.18 -0.02 0.32 -0.75 4.35 4.07 2g1hA1 LEU 216 HB2 0.02 0.10 0.09 -0.04 1.64 1.82 2g1hA1 LEU 216 HB3 -0.05 -0.07 -0.01 -0.04 1.64 1.47 2g1hA1 LEU 216 HG 0.17 0.11 -0.02 -0.04 1.64 1.87 2g1hA1 LEU 216 HD13 0.11 -0.01 -0.15 -0.04 0.93 0.83 2g1hA1 LEU 216 HD23 0.34 -0.02 -0.05 -0.04 0.89 1.11 2g1hA1 ALA 217 H 0.03 0.43 -0.39 -0.55 8.40 7.91 2g1hA1 ALA 217 HA -0.03 -0.01 0.30 -0.75 4.34 3.85 2g1hA1 ALA 217 HB3 -0.00 0.03 0.07 -0.04 1.41 1.47 2g1hA1 LYS 218 H 0.06 0.37 -0.48 -0.55 8.42 7.82 2g1hA1 LYS 218 HA 0.04 0.03 0.44 -0.75 4.32 4.07 2g1hA1 LYS 218 HB2 0.06 0.21 0.10 -0.04 1.87 2.20 2g1hA1 LYS 218 HB3 0.05 -0.10 0.09 -0.04 1.79 1.78 2g1hA1 LYS 218 HG2 0.03 -0.07 0.03 -0.04 1.46 1.41 2g1hA1 LYS 218 HG3 0.04 0.15 0.06 -0.04 1.46 1.67 2g1hA1 LYS 218 HD2 0.05 0.01 0.04 -0.04 1.69 1.75 2g1hA1 LYS 218 HD3 0.04 -0.06 0.02 -0.04 1.68 1.64 2g1hA1 LYS 218 HE2 0.03 -0.04 -0.00 -0.04 2.99 2.93 2g1hA1 LYS 218 HE3 0.03 0.04 -0.03 -0.04 2.99 2.99 2g1hA1 ILE 219 H 0.12 0.50 -0.45 -0.55 8.25 7.87 2g1hA1 ILE 219 HA 0.10 0.03 0.68 -0.75 4.18 4.23 2g1hA1 ILE 219 HB 0.35 0.13 0.08 -0.04 1.89 2.41 2g1hA1 ILE 219 HG12 0.13 0.22 -0.06 -0.04 1.49 1.74 2g1hA1 ILE 219 HG13 0.13 -0.08 -0.07 -0.04 1.21 1.15 2g1hA1 ILE 219 HG23 0.08 0.01 -0.12 -0.04 0.93 0.86 2g1hA1 ILE 219 HD13 0.06 0.00 -0.18 -0.04 0.88 0.72 2g1hA1 THR 220 H 0.09 0.06 0.17 -0.55 8.28 8.05 2g1hA1 THR 220 HA 0.15 0.06 0.57 -0.75 4.39 4.41 2g1hA1 THR 220 HB 0.04 -0.08 0.14 -0.04 4.32 4.38 2g1hA1 THR 220 HG23 0.06 0.01 -0.12 -0.04 1.22 1.12 2g1hA1 PHE 221 H 0.28 0.14 0.22 -0.55 8.34 8.42 2g1hA1 PHE 221 HA 0.01 0.35 0.96 -0.75 4.62 5.18 2g1hA1 PHE 221 HB2 0.00 -0.09 0.10 -0.04 3.15 3.12 2g1hA1 PHE 221 HB3 -0.00 -0.02 0.02 -0.04 3.06 3.02 2g1hA1 PHE 221 HD2 -0.00 0.06 -0.34 -0.04 7.28 6.96 2g1hA1 PHE 221 HE2 -0.01 -0.02 -0.14 -0.04 7.38 7.17 2g1hA1 PHE 221 HZ 0.02 -0.06 -0.09 -0.04 7.32 7.14 2g1hA1 ASN 222 H -0.03 0.70 0.32 -0.55 8.53 8.98 2g1hA1 ASN 222 HA 0.05 0.05 0.94 -0.75 4.76 5.05 2g1hA1 ASN 222 HB2 -0.01 0.34 0.14 -0.04 2.88 3.31 2g1hA1 ASN 222 HB3 0.01 -0.06 0.14 -0.04 2.79 2.84 2g1hA1 ASN 222 HD21 -0.01 -0.16 -0.12 -0.04 7.03 6.70 2g1hA1 ASN 222 HD22 -0.04 0.23 -0.12 -0.04 7.74 7.77 2g1hA1 ALA 223 H 0.03 0.04 0.15 -0.55 8.40 8.07 2g1hA1 ALA 223 HA 0.03 0.15 0.57 -0.75 4.34 4.34 2g1hA1 ALA 223 HB3 0.02 -0.01 0.11 -0.04 1.41 1.48 2g1hA1 PRO 224 HA -0.01 0.23 0.45 -0.51 4.44 4.60 2g1hA1 PRO 224 HB2 0.00 0.19 -0.09 -0.04 2.28 2.34 2g1hA1 PRO 224 HB3 -0.00 -0.05 0.09 -0.04 2.02 2.02 2g1hA1 PRO 224 HG2 0.01 -0.02 0.03 -0.04 2.03 2.02 2g1hA1 PRO 224 HG3 0.01 0.14 0.14 -0.04 2.03 2.28 2g1hA1 PRO 224 HD2 0.02 0.03 0.31 -0.04 3.68 3.99 2g1hA1 PRO 224 HD3 0.03 0.13 0.21 -0.04 3.65 3.98 2g1hA1 THR 225 H 0.00 0.62 0.33 -0.55 8.28 8.69 2g1hA1 THR 225 HA 0.01 0.09 0.70 -0.75 4.39 4.44 2g1hA1 THR 225 HB 0.03 -0.05 0.10 -0.04 4.32 4.35 2g1hA1 THR 225 HG23 0.02 0.04 -0.01 -0.04 1.22 1.23 2g1hA1 VAL 226 H 0.01 0.11 0.04 -0.55 8.24 7.84 2g1hA1 VAL 226 HA 0.00 0.23 0.53 -0.75 4.13 4.14 2g1hA1 VAL 226 HB -0.01 0.20 -0.05 -0.04 2.12 2.22 2g1hA1 VAL 226 HG13 0.04 0.01 -0.24 -0.04 0.97 0.74 2g1hA1 VAL 226 HG23 0.02 0.00 -0.35 -0.04 0.95 0.59 2g1hA1 PRO 227 HA 0.02 0.02 0.33 -0.51 4.44 4.29 2g1hA1 PRO 227 HB2 0.03 -0.04 0.08 -0.04 2.28 2.31 2g1hA1 PRO 227 HB3 0.03 -0.02 0.05 -0.04 2.02 2.04 2g1hA1 PRO 227 HG2 -0.00 0.13 0.13 -0.04 2.03 2.24 2g1hA1 PRO 227 HG3 0.01 0.00 0.05 -0.04 2.03 2.05 2g1hA1 PRO 227 HD2 -0.01 0.37 0.21 -0.04 3.68 4.21 2g1hA1 PRO 227 HD3 -0.00 0.16 0.16 -0.04 3.65 3.92 2g1hA1 VAL 228 H 0.02 0.20 0.17 -0.55 8.24 8.08 2g1hA1 VAL 228 HA 0.05 0.31 0.96 -0.75 4.13 4.71 2g1hA1 VAL 228 HB 0.00 -0.03 0.12 -0.04 2.12 2.18 2g1hA1 VAL 228 HG13 0.02 -0.03 -0.26 -0.04 0.97 0.66 2g1hA1 VAL 228 HG23 -0.00 0.05 -0.18 -0.04 0.95 0.78 2g1hA1 VAL 229 H 0.06 0.63 0.21 -0.55 8.24 8.59 2g1hA1 VAL 229 HA -0.03 0.07 0.33 -0.75 4.13 3.75 2g1hA1 VAL 229 HB 0.01 -0.06 0.09 -0.04 2.12 2.12 2g1hA1 VAL 229 HG13 -0.14 0.02 -0.22 -0.04 0.97 0.58 2g1hA1 VAL 229 HG23 0.15 0.04 -0.13 -0.04 0.95 0.97 2g1hA1 ASN 230 H -0.07 0.54 0.27 -0.55 8.53 8.72 2g1hA1 ASN 230 HA 0.00 0.17 0.62 -0.75 4.76 4.79 2g1hA1 ASN 230 HB2 -0.03 -0.07 0.15 -0.04 2.88 2.88 2g1hA1 ASN 230 HB3 -0.03 0.16 0.12 -0.04 2.79 2.99 2g1hA1 ASN 230 HD21 -0.06 -0.00 0.01 -0.04 7.03 6.94 2g1hA1 ASN 230 HD22 -0.04 0.07 0.05 -0.04 7.74 7.78 2g1hA1 ASN 231 H -0.01 0.18 0.21 -0.55 8.53 8.37 2g1hA1 ASN 231 HA 0.03 0.12 0.34 -0.75 4.76 4.49 2g1hA1 ASN 231 HB2 -0.04 0.03 0.19 -0.04 2.88 3.03 2g1hA1 ASN 231 HB3 -0.08 0.04 0.08 -0.04 2.79 2.79 2g1hA1 ASN 231 HD21 0.26 0.34 0.13 -0.04 7.03 7.71 2g1hA1 ASN 231 HD22 0.17 0.02 -0.07 -0.04 7.74 7.82 2g1hA1 VAL 232 H -0.05 -0.01 -0.10 -0.55 8.24 7.53 2g1hA1 VAL 232 HA -0.06 0.32 0.30 -0.75 4.13 3.94 2g1hA1 VAL 232 HB -0.08 0.01 -0.00 -0.04 2.12 2.01 2g1hA1 VAL 232 HG13 -0.06 -0.02 -0.01 -0.04 0.97 0.84 2g1hA1 VAL 232 HG23 -0.11 0.02 -0.16 -0.04 0.95 0.66 2g1hA1 ASP 233 H -0.07 -0.10 -0.11 -0.55 8.40 7.58 2g1hA1 ASP 233 HA -0.07 0.29 0.77 -0.75 4.63 4.86 2g1hA1 ASP 233 HB2 -0.07 -0.10 -0.01 -0.04 2.71 2.48 2g1hA1 ASP 233 HB3 -0.08 0.06 -0.03 -0.04 2.70 2.61 2g1hA1 VAL 234 H -0.10 0.20 -0.22 -0.55 8.24 7.57 2g1hA1 VAL 234 HA -0.18 0.16 0.26 -0.75 4.13 3.61 2g1hA1 VAL 234 HB -0.21 0.18 0.20 -0.04 2.12 2.25 2g1hA1 VAL 234 HG13 -0.32 -0.01 -0.05 -0.04 0.97 0.54 2g1hA1 VAL 234 HG23 -0.11 -0.01 -0.27 -0.04 0.95 0.51 2g1hA1 LYS 235 H -0.14 -0.03 -0.03 -0.55 8.42 7.67 2g1hA1 LYS 235 HA -0.25 0.28 0.85 -0.75 4.32 4.45 2g1hA1 LYS 235 HB2 -0.09 -0.14 -0.06 -0.04 1.87 1.54 2g1hA1 LYS 235 HB3 -0.08 0.01 -0.18 -0.04 1.79 1.51 2g1hA1 LYS 235 HG2 -0.11 0.07 -0.09 -0.04 1.46 1.30 2g1hA1 LYS 235 HG3 -0.12 0.20 -0.41 -0.04 1.46 1.09 2g1hA1 LYS 235 HD2 -0.06 0.05 -0.08 -0.04 1.69 1.56 2g1hA1 LYS 235 HD3 -0.06 -0.09 -0.09 -0.04 1.68 1.39 2g1hA1 LYS 235 HE2 -0.05 0.01 -0.08 -0.04 2.99 2.83 2g1hA1 LYS 235 HE3 -0.04 0.04 -0.05 -0.04 2.99 2.90 2g1hA1 CYS 236 H -0.07 0.23 0.04 -0.55 8.50 8.15 2g1hA1 CYS 236 HA -0.01 0.50 0.93 -0.75 4.58 5.24 2g1hA1 CYS 236 HB2 0.04 -0.01 0.16 -0.04 2.97 3.12 2g1hA1 CYS 236 HB3 0.03 0.01 0.02 -0.04 2.97 2.99 2g1hA1 GLU 237 H -0.02 0.22 0.00 -0.55 8.60 8.26 2g1hA1 GLU 237 HA -0.01 0.06 0.56 -0.75 4.29 4.15 2g1hA1 GLU 237 HB2 -0.01 0.04 -0.07 -0.04 2.09 2.02 2g1hA1 GLU 237 HB3 -0.01 -0.11 -0.05 -0.04 1.99 1.78 2g1hA1 GLU 237 HG2 -0.03 -0.01 -0.14 -0.04 2.34 2.11 2g1hA1 GLU 237 HG3 -0.03 0.05 -0.14 -0.04 2.34 2.18 2g1hA1 THR 238 H 0.00 -0.09 0.20 -0.55 8.28 7.84 2g1hA1 THR 238 HA 0.02 0.29 0.86 -0.75 4.39 4.80 2g1hA1 THR 238 HB 0.01 0.04 0.07 -0.04 4.32 4.40 2g1hA1 THR 238 HG23 0.01 0.05 -0.17 -0.04 1.22 1.06 2g1hA1 ASN 239 H 0.01 -0.08 0.15 -0.55 8.53 8.05 2g1hA1 ASN 239 HA 0.02 0.16 0.61 -0.75 4.76 4.80 2g1hA1 ASN 239 HB2 0.00 0.13 0.14 -0.04 2.88 3.11 2g1hA1 ASN 239 HB3 -0.01 -0.05 0.18 -0.04 2.79 2.87 2g1hA1 ASN 239 HD21 -0.00 0.06 0.03 -0.04 7.03 7.08 2g1hA1 ASN 239 HD22 0.00 0.10 0.07 -0.04 7.74 7.88 2g1hA1 GLY 240 H 0.03 0.24 0.17 -0.55 8.43 8.33 2g1hA1 GLY 240 HA2 0.14 0.17 0.12 -0.51 4.01 3.94 2g1hA1 GLY 240 HA3 0.10 0.19 0.25 -0.51 4.01 4.04 2g1hA1 ASP 241 H -0.02 0.06 -0.24 -0.55 8.40 7.65 2g1hA1 ASP 241 HA -0.16 0.15 0.38 -0.75 4.63 4.25 2g1hA1 ASP 241 HB2 -0.04 -0.01 -0.02 -0.04 2.71 2.60 2g1hA1 ASP 241 HB3 -0.06 0.06 0.05 -0.04 2.70 2.71 2g1hA1 ALA 242 H -0.03 0.09 -0.33 -0.55 8.40 7.58 2g1hA1 ALA 242 HA -0.04 0.10 0.59 -0.75 4.34 4.23 2g1hA1 ALA 242 HB3 -0.02 0.02 0.06 -0.04 1.41 1.43 2g1hA1 ILE 243 H -0.02 0.54 -0.27 -0.55 8.25 7.95 2g1hA1 ILE 243 HA -0.01 -0.00 0.39 -0.75 4.18 3.80 2g1hA1 ILE 243 HB 0.15 0.19 0.06 -0.04 1.89 2.24 2g1hA1 ILE 243 HG12 0.03 -0.03 -0.13 -0.04 1.49 1.32 2g1hA1 ILE 243 HG13 0.03 -0.07 -0.29 -0.04 1.21 0.83 2g1hA1 ILE 243 HG23 0.16 -0.01 -0.18 -0.04 0.93 0.86 2g1hA1 ILE 243 HD13 0.08 0.04 -0.24 -0.04 0.88 0.71 2g1hA1 ARG 244 H -0.28 0.57 -0.04 -0.55 8.46 8.16 2g1hA1 ARG 244 HA -0.32 0.02 0.43 -0.75 4.34 3.72 2g1hA1 ARG 244 HB2 -0.46 0.09 0.16 -0.04 1.90 1.65 2g1hA1 ARG 244 HB3 -0.25 0.02 -0.06 -0.04 1.80 1.47 2g1hA1 ARG 244 HG2 -0.45 -0.09 -0.04 -0.04 1.67 1.04 2g1hA1 ARG 244 HG3 -1.76 0.05 -0.02 -0.04 1.67 -0.10 2g1hA1 ARG 244 HD2 -0.26 -0.07 -0.07 -0.04 3.22 2.78 2g1hA1 ARG 244 HD3 -0.21 -0.07 -0.38 -0.04 3.22 2.52 2g1hA1 ASP 245 H -0.11 0.47 -0.30 -0.55 8.40 7.92 2g1hA1 ASP 245 HA -0.03 0.02 0.38 -0.75 4.63 4.24 2g1hA1 ASP 245 HB2 -0.04 0.05 0.11 -0.04 2.71 2.79 2g1hA1 ASP 245 HB3 -0.04 0.09 0.10 -0.04 2.70 2.81 2g1hA1 ALA 246 H -0.05 0.43 -0.45 -0.55 8.40 7.78 2g1hA1 ALA 246 HA -0.04 0.02 0.48 -0.75 4.34 4.04 2g1hA1 ALA 246 HB3 -0.04 0.01 0.11 -0.04 1.41 1.45 2g1hA1 LEU 247 H -0.03 0.52 -0.19 -0.55 8.37 8.11 2g1hA1 LEU 247 HA -0.00 -0.02 0.54 -0.75 4.35 4.12 2g1hA1 LEU 247 HB2 0.02 0.20 0.13 -0.04 1.64 1.95 2g1hA1 LEU 247 HB3 0.08 -0.05 -0.03 -0.04 1.64 1.60 2g1hA1 LEU 247 HG -0.06 0.15 -0.05 -0.04 1.64 1.63 2g1hA1 LEU 247 HD13 -0.02 -0.01 -0.10 -0.04 0.93 0.76 2g1hA1 LEU 247 HD23 -0.46 -0.03 -0.09 -0.04 0.89 0.27 2g1hA1 VAL 248 H 0.02 0.45 -0.12 -0.55 8.24 8.04 2g1hA1 VAL 248 HA 0.12 0.05 0.49 -0.75 4.13 4.03 2g1hA1 VAL 248 HB 0.06 0.09 0.14 -0.04 2.12 2.37 2g1hA1 VAL 248 HG13 0.14 0.02 -0.14 -0.04 0.97 0.95 2g1hA1 VAL 248 HG23 0.03 0.05 -0.00 -0.04 0.95 0.99 2g1hA1 ARG 249 H -0.00 0.53 -0.12 -0.55 8.46 8.32 2g1hA1 ARG 249 HA -0.39 0.02 0.22 -0.75 4.34 3.44 2g1hA1 ARG 249 HB2 -0.08 0.06 0.12 -0.04 1.90 1.96 2g1hA1 ARG 249 HB3 -0.21 -0.01 -0.06 -0.04 1.80 1.48 2g1hA1 ARG 249 HG2 -0.03 -0.03 -0.02 -0.04 1.67 1.56 2g1hA1 ARG 249 HG3 0.01 0.07 0.03 -0.04 1.67 1.74 2g1hA1 ARG 249 HD2 -0.07 0.00 -0.05 -0.04 3.22 3.07 2g1hA1 ARG 249 HD3 0.01 -0.02 -0.04 -0.04 3.22 3.14 2g1hA1 GLN 250 H -0.03 0.38 -0.47 -0.55 8.47 7.81 2g1hA1 GLN 250 HA -0.08 -0.01 0.34 -0.75 4.36 3.86 2g1hA1 GLN 250 HB2 -0.01 0.13 0.21 -0.04 2.15 2.45 2g1hA1 GLN 250 HB3 0.09 0.20 0.08 -0.04 2.02 2.34 2g1hA1 GLN 250 HG2 -0.02 0.06 -0.03 -0.04 2.40 2.36 2g1hA1 GLN 250 HG3 -0.04 -0.18 0.06 -0.04 2.39 2.20 2g1hA1 GLN 250 HE21 0.14 0.26 0.08 -0.04 6.97 7.41 2g1hA1 GLN 250 HE22 0.02 -0.12 0.10 -0.04 7.69 7.65 2g1hA1 LEU 251 H 0.10 0.51 -0.44 -0.55 8.37 7.98 2g1hA1 LEU 251 HA 0.26 -0.05 0.17 -0.75 4.35 3.98 2g1hA1 LEU 251 HB2 0.19 0.12 0.13 -0.04 1.64 2.03 2g1hA1 LEU 251 HB3 0.24 0.05 0.02 -0.04 1.64 1.91 2g1hA1 LEU 251 HG 0.10 -0.08 0.04 -0.04 1.64 1.66 2g1hA1 LEU 251 HD13 0.14 -0.01 -0.02 -0.04 0.93 1.00 2g1hA1 LEU 251 HD23 0.14 0.01 -0.13 -0.04 0.89 0.88 2g1hA1 TYR 252 H -0.07 0.32 -0.33 -0.55 8.29 7.66 2g1hA1 TYR 252 HA 0.08 0.13 0.82 -0.75 4.56 4.82 2g1hA1 TYR 252 HB2 0.03 -0.07 -0.14 -0.04 3.06 2.84 2g1hA1 TYR 252 HB3 0.03 -0.08 -0.38 -0.04 2.98 2.51 2g1hA1 TYR 252 HD2 0.03 -0.02 -0.11 -0.04 7.15 7.01 2g1hA1 TYR 252 HE2 0.02 -0.03 -0.17 -0.04 6.85 6.63 2g1hA1 ASN 253 H -0.04 0.35 -0.23 -0.55 8.53 8.06 2g1hA1 ASN 253 HA 0.00 0.14 0.80 -0.75 4.76 4.95 2g1hA1 ASN 253 HB2 -0.20 0.05 -0.03 -0.04 2.88 2.66 2g1hA1 ASN 253 HB3 -0.08 0.05 0.05 -0.04 2.79 2.77 2g1hA1 ASN 253 HD21 -0.58 -0.09 -0.11 -0.04 7.03 6.21 2g1hA1 ASN 253 HD22 -0.74 0.38 -0.03 -0.04 7.74 7.30 2g1hA1 PRO 254 HA 0.01 0.21 0.52 -0.51 4.44 4.67 2g1hA1 PRO 254 HB2 0.30 -0.13 -0.23 -0.04 2.28 2.19 2g1hA1 PRO 254 HB3 0.06 0.27 -0.01 -0.04 2.02 2.29 2g1hA1 PRO 254 HG2 0.15 -0.02 0.05 -0.04 2.03 2.17 2g1hA1 PRO 254 HG3 0.20 0.02 0.08 -0.04 2.03 2.29 2g1hA1 PRO 254 HD2 0.02 0.03 0.22 -0.04 3.68 3.91 2g1hA1 PRO 254 HD3 0.06 0.17 0.23 -0.04 3.65 4.07 2g1hA1 VAL 255 H -0.12 0.63 0.33 -0.55 8.24 8.53 2g1hA1 VAL 255 HA -0.13 0.11 0.73 -0.75 4.13 4.09 2g1hA1 VAL 255 HB -0.19 -0.06 0.31 -0.04 2.12 2.14 2g1hA1 VAL 255 HG13 -0.38 -0.06 -0.06 -0.04 0.97 0.43 2g1hA1 VAL 255 HG23 -0.61 0.03 0.10 -0.04 0.95 0.43 2g1hA1 GLN 256 H 0.03 0.63 0.21 -0.55 8.47 8.79 2g1hA1 GLN 256 HA 0.20 0.04 0.59 -0.75 4.36 4.43 2g1hA1 GLN 256 HB2 -0.02 0.06 0.17 -0.04 2.15 2.32 2g1hA1 GLN 256 HB3 -0.04 -0.15 0.08 -0.04 2.02 1.87 2g1hA1 GLN 256 HG2 0.03 0.24 0.01 -0.04 2.40 2.64 2g1hA1 GLN 256 HG3 -0.04 0.07 -0.07 -0.04 2.39 2.31 2g1hA1 GLN 256 HE21 -0.03 -0.07 -0.06 -0.04 6.97 6.77 2g1hA1 GLN 256 HE22 0.04 0.16 -0.03 -0.04 7.69 7.82 2g1hA1 TRP 257 H 0.33 0.43 -0.01 -0.55 7.97 8.17 2g1hA1 TRP 257 HA 0.01 0.03 0.27 -0.75 4.62 4.17 2g1hA1 TRP 257 HB2 -0.01 -0.10 -0.02 -0.04 3.23 3.06 2g1hA1 TRP 257 HB3 0.12 0.22 0.18 -0.04 3.23 3.72 2g1hA1 TRP 257 HD1 0.11 0.34 -0.04 -0.04 7.22 7.58 2g1hA1 TRP 257 HE1 0.06 0.05 -0.11 -0.04 10.20 10.16 2g1hA1 TRP 257 HE3 -0.02 -0.01 -0.20 -0.04 7.59 7.31 2g1hA1 TRP 257 HZ2 0.06 0.02 -0.19 -0.04 7.44 7.29 2g1hA1 TRP 257 HZ3 0.08 -0.01 -0.49 -0.04 7.13 6.67 2g1hA1 TRP 257 HH2 0.10 0.07 -0.32 -0.04 7.19 7.01 2g1hA1 THR 258 H 0.25 0.58 0.04 -0.55 8.28 8.60 2g1hA1 THR 258 HA -0.00 0.13 0.30 -0.75 4.39 4.06 2g1hA1 THR 258 HB 0.06 -0.08 -0.05 -0.04 4.32 4.21 2g1hA1 THR 258 HG23 0.02 0.02 -0.17 -0.04 1.22 1.04 2g1hA1 LYS 259 H -0.04 0.09 -0.39 -0.55 8.42 7.52 2g1hA1 LYS 259 HA -0.07 0.08 0.31 -0.75 4.32 3.89 2g1hA1 LYS 259 HB2 -0.09 0.05 -0.00 -0.04 1.87 1.78 2g1hA1 LYS 259 HB3 -0.08 0.07 -0.03 -0.04 1.79 1.71 2g1hA1 LYS 259 HG2 -0.08 0.03 -0.04 -0.04 1.46 1.33 2g1hA1 LYS 259 HG3 -0.12 -0.10 -0.06 -0.04 1.46 1.14 2g1hA1 LYS 259 HD2 -0.17 0.01 -0.04 -0.04 1.69 1.45 2g1hA1 LYS 259 HD3 -0.10 0.06 -0.04 -0.04 1.68 1.56 2g1hA1 LYS 259 HE2 -0.10 0.03 -0.03 -0.04 2.99 2.85 2g1hA1 LYS 259 HE3 -0.15 -0.06 -0.04 -0.04 2.99 2.70 2g1hA1 SER 260 H -0.18 0.37 -0.30 -0.55 8.46 7.81 2g1hA1 SER 260 HA -0.12 0.05 0.43 -0.75 4.49 4.10 2g1hA1 SER 260 HB2 -0.50 0.05 0.12 -0.04 3.95 3.59 2g1hA1 SER 260 HB3 -0.33 -0.06 -0.10 -0.04 3.93 3.40 2g1hA1 VAL 261 H -0.53 0.64 -0.10 -0.55 8.24 7.70 2g1hA1 VAL 261 HA -0.31 0.01 0.45 -0.75 4.13 3.53 2g1hA1 VAL 261 HB -0.29 0.15 0.07 -0.04 2.12 2.00 2g1hA1 VAL 261 HG13 -0.11 -0.00 -0.16 -0.04 0.97 0.65 2g1hA1 VAL 261 HG23 -0.78 -0.00 -0.08 -0.04 0.95 0.04 2g1hA1 GLU 262 H -0.12 0.42 -0.24 -0.55 8.60 8.11 2g1hA1 GLU 262 HA -0.06 0.04 0.36 -0.75 4.29 3.88 2g1hA1 GLU 262 HB2 -0.04 0.07 0.13 -0.04 2.09 2.20 2g1hA1 GLU 262 HB3 -0.03 -0.03 -0.02 -0.04 1.99 1.87 2g1hA1 GLU 262 HG2 -0.04 0.02 -0.03 -0.04 2.34 2.25 2g1hA1 GLU 262 HG3 -0.06 0.16 0.00 -0.04 2.34 2.41 2g1hA1 TYR 263 H 0.03 0.45 -0.32 -0.55 8.29 7.90 2g1hA1 TYR 263 HA -0.07 0.01 0.33 -0.75 4.56 4.08 2g1hA1 TYR 263 HB2 -0.09 0.07 0.12 -0.04 3.06 3.11 2g1hA1 TYR 263 HB3 -0.11 0.09 0.14 -0.04 2.98 3.06 2g1hA1 TYR 263 HD2 -0.06 -0.01 -0.11 -0.04 7.15 6.93 2g1hA1 TYR 263 HE2 -0.04 -0.03 -0.08 -0.04 6.85 6.66 2g1hA1 MET 264 H -0.02 0.51 -0.18 -0.55 8.47 8.22 2g1hA1 MET 264 HA -0.14 0.02 0.37 -0.75 4.52 4.02 2g1hA1 MET 264 HB2 -0.10 0.10 0.04 -0.04 2.15 2.15 2g1hA1 MET 264 HB3 -0.06 -0.04 -0.13 -0.04 2.03 1.75 2g1hA1 MET 264 HG2 0.01 -0.04 -0.11 -0.04 2.63 2.46 2g1hA1 MET 264 HG3 -0.06 0.25 -0.04 -0.04 2.56 2.67 2g1hA1 MET 264 HE3 -0.18 -0.01 -0.23 -0.04 2.10 1.64 2g1hA1 ALA 265 H -0.09 0.51 -0.24 -0.55 8.40 8.02 2g1hA1 ALA 265 HA -0.07 0.24 0.41 -0.75 4.34 4.17 2g1hA1 ALA 265 HB3 -0.06 0.01 0.06 -0.04 1.41 1.38 2g1hA1 ALA 266 H -0.13 0.52 -0.22 -0.55 8.40 8.03 2g1hA1 ALA 266 HA -0.09 0.00 0.39 -0.75 4.34 3.89 2g1hA1 ALA 266 HB3 -0.13 0.00 0.09 -0.04 1.41 1.32 2g1hA1 GLN 267 H -0.23 0.36 -0.49 -0.55 8.47 7.56 2g1hA1 GLN 267 HA -0.17 0.06 0.67 -0.75 4.36 4.16 2g1hA1 GLN 267 HB2 -0.20 0.07 0.06 -0.04 2.15 2.05 2g1hA1 GLN 267 HB3 -0.16 -0.06 0.12 -0.04 2.02 1.88 2g1hA1 GLN 267 HG2 -0.74 0.25 -0.03 -0.04 2.40 1.85 2g1hA1 GLN 267 HG3 -0.36 -0.10 -0.04 -0.04 2.39 1.86 2g1hA1 GLN 267 HE21 -0.37 -0.06 -0.11 -0.04 6.97 6.39 2g1hA1 GLN 267 HE22 -1.07 0.16 -0.07 -0.04 7.69 6.67 2g1hA1 GLY 268 H -0.10 0.54 -0.36 -0.55 8.43 7.97 2g1hA1 GLY 268 HA2 -0.05 0.00 0.23 -0.51 4.01 3.68 2g1hA1 GLY 268 HA3 -0.05 0.08 0.63 -0.51 4.01 4.16 2g1hA1 VAL 269 H -0.08 0.27 -0.16 -0.55 8.24 7.73 2g1hA1 VAL 269 HA -0.02 0.10 0.39 -0.75 4.13 3.84 2g1hA1 VAL 269 HB -0.05 -0.02 -0.33 -0.04 2.12 1.68 2g1hA1 VAL 269 HG13 0.00 -0.05 -0.29 -0.04 0.97 0.60 2g1hA1 VAL 269 HG23 -0.06 -0.01 -0.22 -0.04 0.95 0.63 2g1hA1 GLU 270 H 0.04 0.68 0.39 -0.55 8.60 9.16 2g1hA1 GLU 270 HA 0.01 0.15 0.91 -0.75 4.29 4.61 2g1hA1 GLU 270 HB2 0.07 0.11 0.12 -0.04 2.09 2.34 2g1hA1 GLU 270 HB3 0.04 -0.11 0.10 -0.04 1.99 1.98 2g1hA1 GLU 270 HG2 0.01 -0.06 -0.09 -0.04 2.34 2.16 2g1hA1 GLU 270 HG3 0.01 0.27 -0.02 -0.04 2.34 2.56 2g1hA1 HIS 271 H 0.10 0.25 0.33 -0.55 8.41 8.54 2g1hA1 HIS 271 HA -0.08 0.34 0.96 -0.75 4.63 5.10 2g1hA1 HIS 271 HB2 -0.07 0.05 -0.17 -0.04 3.26 3.02 2g1hA1 HIS 271 HB3 -0.09 -0.04 0.01 -0.04 3.20 3.03 2g1hA1 HIS 271 HD2 -1.85 -0.05 -0.34 -0.04 6.97 4.69 2g1hA1 HIS 271 HE1 -0.13 -0.01 -0.37 -0.04 7.75 7.20 2g1hA1 LEU 272 H -0.56 0.62 0.36 -0.55 8.37 8.24 2g1hA1 LEU 272 HA -0.04 0.23 1.00 -0.75 4.35 4.79 2g1hA1 LEU 272 HB2 -0.15 -0.06 0.09 -0.04 1.64 1.48 2g1hA1 LEU 272 HB3 -0.01 -0.05 -0.12 -0.04 1.64 1.41 2g1hA1 LEU 272 HG -0.09 0.08 -0.19 -0.04 1.64 1.40 2g1hA1 LEU 272 HD13 -0.00 -0.02 -0.15 -0.04 0.93 0.72 2g1hA1 LEU 272 HD23 -0.02 0.03 -0.27 -0.04 0.89 0.59 2g1hA1 TYR 273 H 0.17 0.70 0.32 -0.55 8.29 8.94 2g1hA1 TYR 273 HA -0.10 0.32 1.01 -0.75 4.56 5.03 2g1hA1 TYR 273 HB2 -0.02 0.05 0.17 -0.04 3.06 3.21 2g1hA1 TYR 273 HB3 -0.40 -0.04 -0.09 -0.04 2.98 2.41 2g1hA1 TYR 273 HD2 0.02 0.01 -0.13 -0.04 7.15 7.01 2g1hA1 TYR 273 HE2 -0.42 0.01 -0.10 -0.04 6.85 6.30 2g1hA1 GLU 274 H -0.02 0.60 0.33 -0.55 8.60 8.96 2g1hA1 GLU 274 HA -0.12 0.25 0.74 -0.75 4.29 4.40 2g1hA1 GLU 274 HB2 -0.03 -0.05 -0.08 -0.04 2.09 1.89 2g1hA1 GLU 274 HB3 -0.04 -0.08 0.16 -0.04 1.99 1.99 2g1hA1 GLU 274 HG2 -0.05 0.13 -0.24 -0.04 2.34 2.14 2g1hA1 GLU 274 HG3 -0.06 0.11 -0.16 -0.04 2.34 2.19 2g1hA1 VAL 275 H -0.43 0.68 0.26 -0.55 8.24 8.21 2g1hA1 VAL 275 HA -0.29 0.08 0.56 -0.75 4.13 3.73 2g1hA1 VAL 275 HB -0.93 -0.02 0.14 -0.04 2.12 1.27 2g1hA1 VAL 275 HG13 -0.09 0.01 -0.03 -0.04 0.97 0.82 2g1hA1 VAL 275 HG23 -1.17 0.05 -0.09 -0.04 0.95 -0.30 2g1hA1 GLY 276 H -0.07 0.43 0.10 -0.55 8.43 8.35 2g1hA1 GLY 276 HA2 0.06 0.04 0.33 -0.51 4.01 3.92 2g1hA1 GLY 276 HA3 0.03 0.05 0.28 -0.51 4.01 3.86 2g1hA1 PRO 277 HA 0.02 -0.00 0.56 -0.51 4.44 4.51 2g1hA1 PRO 277 HB2 0.01 0.22 0.04 -0.04 2.28 2.51 2g1hA1 PRO 277 HB3 0.05 -0.07 0.12 -0.04 2.02 2.08 2g1hA1 PRO 277 HG2 0.02 0.03 -0.16 -0.04 2.03 1.88 2g1hA1 PRO 277 HG3 0.06 0.01 -0.02 -0.04 2.03 2.03 2g1hA1 PRO 277 HD2 0.05 0.12 0.15 -0.04 3.68 3.97 2g1hA1 PRO 277 HD3 0.09 0.12 0.11 -0.04 3.65 3.92 2g1hA1 GLY 278 H 0.00 0.02 0.18 -0.55 8.43 8.09 2g1hA1 GLY 278 HA2 -0.01 0.04 0.35 -0.51 4.01 3.88 2g1hA1 GLY 278 HA3 -0.02 0.11 0.42 -0.51 4.01 4.02 2g1hA1 LYS 279 H -0.02 0.19 0.10 -0.55 8.42 8.12 2g1hA1 LYS 279 HA -0.02 0.18 0.77 -0.75 4.32 4.50 2g1hA1 LYS 279 HB2 -0.01 0.05 0.04 -0.04 1.87 1.91 2g1hA1 LYS 279 HB3 -0.00 0.01 0.15 -0.04 1.79 1.91 2g1hA1 LYS 279 HG2 0.00 -0.00 -0.01 -0.04 1.46 1.41 2g1hA1 LYS 279 HG3 -0.00 -0.05 -0.48 -0.04 1.46 0.89 2g1hA1 LYS 279 HD2 0.00 0.02 -0.04 -0.04 1.69 1.64 2g1hA1 LYS 279 HD3 0.01 0.05 -0.00 -0.04 1.68 1.69 2g1hA1 LYS 279 HE2 0.01 -0.03 0.00 -0.04 2.99 2.94 2g1hA1 LYS 279 HE3 0.01 -0.04 -0.05 -0.04 2.99 2.87 2g1hA1 VAL 280 H -0.05 0.22 -0.04 -0.55 8.24 7.82 2g1hA1 VAL 280 HA -0.04 0.15 0.32 -0.75 4.13 3.81 2g1hA1 VAL 280 HB -0.12 -0.04 0.06 -0.04 2.12 1.97 2g1hA1 VAL 280 HG13 -0.15 0.03 -0.17 -0.04 0.97 0.64 2g1hA1 VAL 280 HG23 -0.07 0.02 -0.04 -0.04 0.95 0.82 2g1hA1 LEU 281 H -0.07 0.12 -0.12 -0.55 8.37 7.75 2g1hA1 LEU 281 HA -0.00 0.13 0.30 -0.75 4.35 4.02 2g1hA1 LEU 281 HB2 0.02 0.02 -0.16 -0.04 1.64 1.48 2g1hA1 LEU 281 HB3 0.21 0.09 -0.14 -0.04 1.64 1.76 2g1hA1 LEU 281 HG -0.19 -0.07 -0.09 -0.04 1.64 1.24 2g1hA1 LEU 281 HD13 -0.13 0.03 -0.42 -0.04 0.93 0.37 2g1hA1 LEU 281 HD23 -0.73 0.01 -0.14 -0.04 0.89 -0.02 2g1hA1 THR 282 H -0.00 -0.02 -0.49 -0.55 8.28 7.22 2g1hA1 THR 282 HA 0.00 0.10 0.32 -0.75 4.39 4.05 2g1hA1 THR 282 HB -0.00 0.10 -0.01 -0.04 4.32 4.37 2g1hA1 THR 282 HG23 -0.01 0.00 -0.28 -0.04 1.22 0.89 2g1hA1 GLY 283 H 0.01 0.40 -0.29 -0.55 8.43 8.00 2g1hA1 GLY 283 HA2 0.02 0.05 0.30 -0.51 4.01 3.87 2g1hA1 GLY 283 HA3 0.01 0.04 0.26 -0.51 4.01 3.82 2g1hA1 LEU 284 H 0.06 0.27 -0.36 -0.55 8.37 7.79 2g1hA1 LEU 284 HA 0.08 0.04 0.42 -0.75 4.35 4.14 2g1hA1 LEU 284 HB2 0.25 0.09 0.03 -0.04 1.64 1.97 2g1hA1 LEU 284 HB3 0.26 0.08 -0.02 -0.04 1.64 1.92 2g1hA1 LEU 284 HG 0.02 0.19 -0.03 -0.04 1.64 1.79 2g1hA1 LEU 284 HD13 0.01 -0.01 -0.10 -0.04 0.93 0.80 2g1hA1 LEU 284 HD23 0.06 -0.01 -0.18 -0.04 0.89 0.72 2g1hA1 THR 285 H 0.07 0.41 -0.47 -0.55 8.28 7.75 2g1hA1 THR 285 HA 0.08 -0.02 0.01 -0.75 4.39 3.70 2g1hA1 THR 285 HB 0.01 0.10 0.05 -0.04 4.32 4.44 2g1hA1 THR 285 HG23 -0.03 0.03 -0.34 -0.04 1.22 0.84 2g1hA1 LYS 286 H 0.02 0.17 -0.13 -0.55 8.42 7.93 2g1hA1 LYS 286 HA 0.01 0.34 0.26 -0.75 4.32 4.17 2g1hA1 LYS 286 HB2 0.01 -0.04 0.09 -0.04 1.87 1.89 2g1hA1 LYS 286 HB3 0.02 -0.03 -0.07 -0.04 1.79 1.66 2g1hA1 LYS 286 HG2 0.01 -0.09 0.10 -0.04 1.46 1.44 2g1hA1 LYS 286 HG3 0.01 0.25 0.10 -0.04 1.46 1.77 2g1hA1 LYS 286 HD2 0.01 -0.10 0.05 -0.04 1.69 1.62 2g1hA1 LYS 286 HD3 0.01 -0.09 0.04 -0.04 1.68 1.60 2g1hA1 LYS 286 HE2 0.01 0.06 0.07 -0.04 2.99 3.09 2g1hA1 LYS 286 HE3 0.01 0.42 0.05 -0.04 2.99 3.43 2g1hA1 ARG 287 H 0.04 0.18 -0.45 -0.55 8.46 7.68 2g1hA1 ARG 287 HA 0.03 0.04 0.42 -0.75 4.34 4.07 2g1hA1 ARG 287 HB2 0.06 0.15 0.06 -0.04 1.90 2.13 2g1hA1 ARG 287 HB3 0.04 -0.03 0.03 -0.04 1.80 1.80 2g1hA1 ARG 287 HG2 0.03 -0.03 -0.02 -0.04 1.67 1.61 2g1hA1 ARG 287 HG3 0.03 0.01 -0.01 -0.04 1.67 1.65 2g1hA1 ARG 287 HD2 0.05 -0.01 -0.04 -0.04 3.22 3.18 2g1hA1 ARG 287 HD3 0.04 -0.04 -0.06 -0.04 3.22 3.11 2g1hA1 ILE 288 H 0.04 0.36 -0.32 -0.55 8.25 7.79 2g1hA1 ILE 288 HA 0.03 0.00 0.72 -0.75 4.18 4.17 2g1hA1 ILE 288 HB 0.00 0.13 0.10 -0.04 1.89 2.08 2g1hA1 ILE 288 HG12 0.07 -0.18 0.03 -0.04 1.49 1.38 2g1hA1 ILE 288 HG13 0.09 0.16 0.03 -0.04 1.21 1.44 2g1hA1 ILE 288 HG23 -0.04 -0.04 -0.09 -0.04 0.93 0.71 2g1hA1 ILE 288 HD13 0.10 0.04 -0.08 -0.04 0.88 0.89 2g1hA1 VAL 289 H -0.00 0.65 0.06 -0.55 8.24 8.40 2g1hA1 VAL 289 HA -0.01 0.12 0.83 -0.75 4.13 4.32 2g1hA1 VAL 289 HB -0.03 0.01 0.11 -0.04 2.12 2.18 2g1hA1 VAL 289 HG13 -0.02 -0.04 -0.06 -0.04 0.97 0.80 2g1hA1 VAL 289 HG23 -0.04 0.01 -0.24 -0.04 0.95 0.64 2g1hA1 ASP 290 H -0.00 0.12 0.09 -0.55 8.40 8.06 2g1hA1 ASP 290 HA 0.01 0.23 0.22 -0.75 4.63 4.33 2g1hA1 ASP 290 HB2 0.01 -0.03 0.12 -0.04 2.71 2.77 2g1hA1 ASP 290 HB3 0.01 0.08 0.09 -0.04 2.70 2.83 2g1hA1 THR 291 H -0.00 -0.03 -0.34 -0.55 8.28 7.35 2g1hA1 THR 291 HA 0.00 0.17 0.75 -0.75 4.39 4.56 2g1hA1 THR 291 HB -0.00 0.04 0.09 -0.04 4.32 4.41 2g1hA1 THR 291 HG23 -0.00 -0.02 -0.04 -0.04 1.22 1.12 2g1hA1 LEU 292 H -0.01 0.27 -0.24 -0.55 8.37 7.84 2g1hA1 LEU 292 HA -0.00 0.21 0.72 -0.75 4.35 4.51 2g1hA1 LEU 292 HB2 -0.02 0.18 0.07 -0.04 1.64 1.83 2g1hA1 LEU 292 HB3 -0.04 -0.06 -0.20 -0.04 1.64 1.31 2g1hA1 LEU 292 HG -0.03 -0.06 -0.06 -0.04 1.64 1.45 2g1hA1 LEU 292 HD13 -0.05 -0.03 -0.12 -0.04 0.93 0.69 2g1hA1 LEU 292 HD23 -0.03 0.06 -0.21 -0.04 0.89 0.67 2g1hA1 THR 293 H 0.02 0.50 0.31 -0.55 8.28 8.56 2g1hA1 THR 293 HA 0.01 0.17 0.92 -0.75 4.39 4.74 2g1hA1 THR 293 HB 0.15 -0.06 0.09 -0.04 4.32 4.47 2g1hA1 THR 293 HG23 0.05 0.03 -0.08 -0.04 1.22 1.17 2g1hA1 ALA 294 H -0.04 0.29 0.23 -0.55 8.40 8.34 2g1hA1 ALA 294 HA -0.78 0.24 0.84 -0.75 4.34 3.88 2g1hA1 ALA 294 HB3 -0.12 0.00 0.01 -0.04 1.41 1.26 2g1hA1 SER 295 H -0.23 0.67 0.43 -0.55 8.46 8.79 2g1hA1 SER 295 HA 0.03 0.04 0.52 -0.75 4.49 4.33 2g1hA1 SER 295 HB2 0.12 -0.04 0.16 -0.04 3.95 4.15 2g1hA1 SER 295 HB3 0.14 0.13 -0.03 -0.04 3.93 4.13 2g1hA1 ALA 296 H 0.04 0.14 0.22 -0.55 8.40 8.25 2g1hA1 ALA 296 HA -0.01 0.11 0.94 -0.75 4.34 4.62 2g1hA1 ALA 296 HB3 -0.00 0.00 0.16 -0.04 1.41 1.53 2g1hA1 LEU 297 H -0.08 0.65 0.22 -0.55 8.37 8.62 2g1hA1 LEU 297 HA -0.04 0.14 0.82 -0.75 4.35 4.52 2g1hA1 LEU 297 HB2 -0.29 0.04 0.01 -0.04 1.64 1.37 2g1hA1 LEU 297 HB3 -0.20 0.01 0.15 -0.04 1.64 1.56 2g1hA1 LEU 297 HG -0.21 -0.04 -0.30 -0.04 1.64 1.05 2g1hA1 LEU 297 HD13 -1.02 0.02 -0.10 -0.04 0.93 -0.20 2g1hA1 LEU 297 HD23 -0.18 0.02 -0.14 -0.04 0.89 0.55 2g1hA1 ASN 298 H -0.00 0.08 -0.11 -0.55 8.53 7.96 2g1hA1 ASN 298 HA 0.02 0.28 0.95 -0.75 4.76 5.25 2g1hA1 ASN 298 HB2 0.04 -0.14 0.13 -0.04 2.88 2.87 2g1hA1 ASN 298 HB3 0.01 0.26 -0.11 -0.04 2.79 2.91 2g1hA1 ASN 298 HD21 0.00 -0.01 0.03 -0.04 7.03 7.01 2g1hA1 ASN 298 HD22 -0.00 0.56 0.21 -0.04 7.74 8.47 2g1hA1 GLU 299 H 0.03 0.12 0.02 -0.55 8.60 8.22 2g1hA1 GLU 299 HA 0.06 0.22 0.85 -0.75 4.29 4.67 2g1hA1 GLU 299 HB2 0.04 -0.04 0.08 -0.04 2.09 2.13 2g1hA1 GLU 299 HB3 0.04 0.01 0.05 -0.04 1.99 2.05 2g1hA1 GLU 299 HG2 0.03 -0.08 -0.30 -0.04 2.34 1.96 2g1hA1 GLU 299 HG3 0.03 0.06 -0.02 -0.04 2.34 2.36 2g1hA1 PRO 300 HA 0.19 0.14 0.25 -0.51 4.44 4.50 2g1hA1 PRO 300 HB2 0.06 0.01 0.05 -0.04 2.28 2.36 2g1hA1 PRO 300 HB3 0.11 0.15 0.03 -0.04 2.02 2.27 2g1hA1 PRO 300 HG2 0.06 0.10 -0.06 -0.04 2.03 2.08 2g1hA1 PRO 300 HG3 0.12 0.12 -0.22 -0.04 2.03 2.01 2g1hA1 PRO 300 HD2 0.06 0.10 0.13 -0.04 3.68 3.93 2g1hA1 PRO 300 HD3 0.08 0.09 0.08 -0.04 3.65 3.86 2g1hA1 SER 301 H 0.05 0.10 -0.16 -0.55 8.46 7.90 2g1hA1 SER 301 HA 0.05 0.13 0.31 -0.75 4.49 4.22 2g1hA1 SER 301 HB2 0.03 0.08 0.01 -0.04 3.95 4.03 2g1hA1 SER 301 HB3 0.03 0.04 0.07 -0.04 3.93 4.03 2g1hA1 ALA 302 H 0.05 0.03 -0.18 -0.55 8.40 7.75 2g1hA1 ALA 302 HA 0.05 0.08 0.49 -0.75 4.34 4.20 2g1hA1 ALA 302 HB3 0.04 0.02 0.13 -0.04 1.41 1.56 2g1hA1 MET 303 H 0.05 0.44 -0.23 -0.55 8.47 8.19 2g1hA1 MET 303 HA 0.06 0.04 0.40 -0.75 4.52 4.27 2g1hA1 MET 303 HB2 0.03 -0.07 -0.07 -0.04 2.15 2.00 2g1hA1 MET 303 HB3 0.09 0.15 0.10 -0.04 2.03 2.33 2g1hA1 MET 303 HG2 -0.16 -0.04 -0.12 -0.04 2.63 2.27 2g1hA1 MET 303 HG3 0.01 0.06 -0.28 -0.04 2.56 2.30 2g1hA1 MET 303 HE3 -0.05 0.00 -0.03 -0.04 2.10 1.98 2g1hA1 ALA 304 H 0.07 0.58 -0.03 -0.55 8.40 8.47 2g1hA1 ALA 304 HA 0.03 0.06 0.42 -0.75 4.34 4.11 2g1hA1 ALA 304 HB3 0.05 0.01 0.09 -0.04 1.41 1.51 2g1hA1 ALA 305 H 0.05 0.60 -0.09 -0.55 8.40 8.40 2g1hA1 ALA 305 HA 0.03 0.01 0.30 -0.75 4.34 3.92 2g1hA1 ALA 305 HB3 0.04 -0.01 0.09 -0.04 1.41 1.49 2g1hA1 ALA 306 H 0.07 0.45 -0.30 -0.55 8.40 8.07 2g1hA1 ALA 306 HA 0.10 0.02 0.48 -0.75 4.34 4.18 2g1hA1 ALA 306 HB3 0.02 0.01 0.06 -0.04 1.41 1.45 2g1hA1 LEU 307 H 0.04 0.44 -0.13 -0.55 8.37 8.17 2g1hA1 LEU 307 HA -0.31 0.05 0.38 -0.75 4.35 3.72 2g1hA1 LEU 307 HB2 -0.09 0.04 0.11 -0.04 1.64 1.65 2g1hA1 LEU 307 HB3 -0.23 0.04 0.04 -0.04 1.64 1.45 2g1hA1 LEU 307 HG -0.21 -0.00 0.03 -0.04 1.64 1.42 2g1hA1 LEU 307 HD13 -0.12 -0.03 -0.11 -0.04 0.93 0.63 2g1hA1 LEU 307 HD23 -0.93 0.04 -0.09 -0.04 0.89 -0.14 2g1hA1 GLU 308 H -0.00 0.23 -0.52 -0.55 8.60 7.76 2g1hA1 GLU 308 HA -0.03 0.05 0.57 -0.75 4.29 4.14 2g1hA1 GLU 308 HB2 0.01 0.16 0.08 -0.04 2.09 2.30 2g1hA1 GLU 308 HB3 0.00 -0.10 0.01 -0.04 1.99 1.86 2g1hA1 GLU 308 HG2 -0.01 -0.04 0.01 -0.04 2.34 2.26 2g1hA1 GLU 308 HG3 -0.00 0.18 -0.03 -0.04 2.34 2.45 2g1hA1 LEU 309 H 0.03 0.33 -0.42 -0.55 8.37 7.76 2g1hA1 LEU 309 HA 0.03 -0.01 0.05 -0.75 4.35 3.67 2g1hA1 LEU 309 HB2 0.09 0.26 0.13 -0.04 1.64 2.08 2g1hA1 LEU 309 HB3 0.08 -0.06 0.06 -0.04 1.64 1.68 2g1hA1 LEU 309 HG 0.07 0.08 0.13 -0.04 1.64 1.88 2g1hA1 LEU 309 HD13 0.04 -0.03 -0.01 -0.04 0.93 0.90 2g1hA1 LEU 309 HD23 0.03 -0.04 -0.05 -0.04 0.89 0.79