============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 8 1.000 -2.553 46.715 -34.152 -99.200 -91.000 PHE 11 1.000 2.961 45.457 -37.814 -99.200 -91.000 PHE 22 1.000 -1.440 44.650 -39.230 -99.200 -91.000 HIS 23 0.900 -2.763 50.697 -41.460 -99.200 -91.000 TRP 25 1.040 -0.645 39.950 -44.600 -99.200 -91.000 TRP6 25 1.020 -2.127 39.727 -42.768 -99.200 -91.000 TRP 30 1.040 -14.187 42.496 -39.707 -99.200 -91.000 TRP6 30 1.020 -14.532 43.311 -37.484 -99.200 -91.000 PHE 34 1.000 -2.209 33.922 -33.684 -99.200 -91.000 HIS 36 0.900 4.645 32.437 -31.119 -99.200 -91.000 PHE 40 1.000 12.234 25.689 -32.818 -99.200 -91.000 PHE 58 1.000 -9.785 32.410 -36.195 -99.200 -91.000 HIS 76 0.900 8.920 33.541 -36.221 -99.200 -91.000 TRP 79 1.040 7.470 26.154 -32.908 -99.200 -91.000 TRP6 79 1.020 6.037 27.968 -32.584 -99.200 -91.000 TYR 95 0.840 -1.125 30.684 -38.313 -99.200 -91.000 PHE 130 1.000 -2.674 43.791 -29.504 -99.200 -91.000 TYR 144 0.840 -6.129 35.105 -21.951 -99.200 -91.000 PHE 152 1.000 -6.040 31.262 -30.452 -99.200 -91.000 TRP 176 1.040 -25.111 36.553 -28.743 -99.200 -91.000 TRP6 176 1.020 -23.400 36.532 -30.391 -99.200 -91.000 PHE 197 1.000 -33.730 46.083 -33.238 -99.200 -91.000 TYR 211 0.840 -32.092 49.219 -17.749 -99.200 -91.000 TYR 214 0.840 -33.764 40.047 -22.464 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2v32B1 GLY 2 HA2 0.02 -0.03 -0.16 -0.51 4.01 3.33 2v32B1 GLY 2 HA3 0.03 -0.07 0.08 -0.51 4.01 3.54 2v32B1 ILE 3 H 0.06 0.21 0.07 -0.55 8.25 8.04 2v32B1 ILE 3 HA -0.02 0.11 0.67 -0.75 4.18 4.18 2v32B1 ILE 3 HB -0.19 0.05 -0.01 -0.04 1.89 1.71 2v32B1 ILE 3 HG12 0.11 0.03 -0.15 -0.04 1.49 1.43 2v32B1 ILE 3 HG13 -0.00 -0.05 0.06 -0.04 1.21 1.18 2v32B1 ILE 3 HG23 -0.06 -0.00 -0.03 -0.04 0.93 0.80 2v32B1 ILE 3 HD13 -0.12 -0.00 -0.13 -0.04 0.88 0.59 2v32B1 THR 4 H 0.04 0.15 0.09 -0.55 8.28 8.01 2v32B1 THR 4 HA 0.09 0.19 0.87 -0.75 4.39 4.78 2v32B1 THR 4 HB 0.05 -0.01 0.11 -0.04 4.32 4.43 2v32B1 THR 4 HG23 0.04 0.01 -0.15 -0.04 1.22 1.07 2v32B1 LEU 5 H 0.08 0.09 0.08 -0.55 8.37 8.07 2v32B1 LEU 5 HA 0.11 0.13 0.43 -0.75 4.35 4.26 2v32B1 LEU 5 HB2 0.06 -0.04 0.09 -0.04 1.64 1.70 2v32B1 LEU 5 HB3 0.07 0.11 0.05 -0.04 1.64 1.82 2v32B1 LEU 5 HG 0.07 -0.06 0.06 -0.04 1.64 1.68 2v32B1 LEU 5 HD13 0.06 0.03 0.02 -0.04 0.93 1.00 2v32B1 LEU 5 HD23 0.11 -0.02 -0.30 -0.04 0.89 0.65 2v32B1 GLY 6 H 0.08 0.82 0.31 -0.55 8.43 9.09 2v32B1 GLY 6 HA2 0.04 -0.01 0.31 -0.51 4.01 3.84 2v32B1 GLY 6 HA3 0.04 0.06 0.37 -0.51 4.01 3.97 2v32B1 GLU 7 H 0.07 0.37 -0.51 -0.55 8.60 7.98 2v32B1 GLU 7 HA 0.04 0.03 0.51 -0.75 4.29 4.12 2v32B1 GLU 7 HB2 0.06 0.06 0.07 -0.04 2.09 2.24 2v32B1 GLU 7 HB3 0.03 0.11 -0.05 -0.04 1.99 2.04 2v32B1 GLU 7 HG2 0.02 -0.01 0.03 -0.04 2.34 2.34 2v32B1 GLU 7 HG3 0.03 0.03 -0.01 -0.04 2.34 2.35 2v32B1 VAL 8 H 0.05 0.07 0.15 -0.55 8.24 7.96 2v32B1 VAL 8 HA 0.09 0.16 0.50 -0.75 4.13 4.13 2v32B1 VAL 8 HB 0.08 -0.10 0.11 -0.04 2.12 2.17 2v32B1 VAL 8 HG13 0.15 0.04 -0.07 -0.04 0.97 1.05 2v32B1 VAL 8 HG23 0.03 0.01 0.00 -0.04 0.95 0.95 2v32B1 PHE 9 H 0.29 0.84 0.33 -0.55 8.34 9.25 2v32B1 PHE 9 HA 0.07 0.04 0.39 -0.75 4.62 4.36 2v32B1 PHE 9 HB2 0.15 0.08 0.00 -0.04 3.15 3.34 2v32B1 PHE 9 HB3 0.33 -0.04 -0.05 -0.04 3.06 3.26 2v32B1 PHE 9 HD2 0.08 0.02 -0.13 -0.04 7.28 7.21 2v32B1 PHE 9 HE2 -0.38 -0.05 -0.09 -0.04 7.38 6.81 2v32B1 PHE 9 HZ -0.65 -0.06 -0.10 -0.04 7.32 6.47 2v32B1 PRO 10 HA -0.02 0.02 0.36 -0.51 4.44 4.29 2v32B1 PRO 10 HB2 -0.01 -0.09 0.04 -0.04 2.28 2.18 2v32B1 PRO 10 HB3 -0.06 0.01 0.00 -0.04 2.02 1.93 2v32B1 PRO 10 HG2 -0.45 0.01 -0.01 -0.04 2.03 1.54 2v32B1 PRO 10 HG3 -0.22 0.10 0.05 -0.04 2.03 1.91 2v32B1 PRO 10 HD2 -1.57 0.04 0.12 -0.04 3.68 2.24 2v32B1 PRO 10 HD3 -0.43 0.24 0.17 -0.04 3.65 3.60 2v32B1 ASN 11 H -0.12 0.16 0.11 -0.55 8.53 8.13 2v32B1 ASN 11 HA -0.29 0.06 0.61 -0.75 4.76 4.38 2v32B1 ASN 11 HB2 -1.15 0.14 0.14 -0.04 2.88 1.97 2v32B1 ASN 11 HB3 -0.30 -0.01 0.21 -0.04 2.79 2.65 2v32B1 ASN 11 HD21 -0.09 -0.03 0.00 -0.04 7.03 6.87 2v32B1 ASN 11 HD22 -0.20 0.07 0.03 -0.04 7.74 7.61 2v32B1 PHE 12 H -0.26 0.44 -0.12 -0.55 8.34 7.85 2v32B1 PHE 12 HA -0.03 0.10 0.31 -0.75 4.62 4.25 2v32B1 PHE 12 HB2 -0.05 0.02 -0.04 -0.04 3.15 3.04 2v32B1 PHE 12 HB3 -0.09 0.03 -0.08 -0.04 3.06 2.88 2v32B1 PHE 12 HD2 -0.10 0.06 -0.35 -0.04 7.28 6.85 2v32B1 PHE 12 HE2 -0.32 0.03 -0.13 -0.04 7.38 6.92 2v32B1 PHE 12 HZ -0.56 0.04 -0.13 -0.04 7.32 6.63 2v32B1 GLU 13 H 0.17 0.17 0.20 -0.55 8.60 8.58 2v32B1 GLU 13 HA 0.11 0.43 1.09 -0.75 4.29 5.17 2v32B1 GLU 13 HB2 0.07 -0.05 0.15 -0.04 2.09 2.22 2v32B1 GLU 13 HB3 0.06 0.01 0.02 -0.04 1.99 2.04 2v32B1 GLU 13 HG2 0.03 0.02 -0.02 -0.04 2.34 2.33 2v32B1 GLU 13 HG3 0.04 -0.02 -0.01 -0.04 2.34 2.31 2v32B1 ALA 14 H 0.16 0.63 0.31 -0.55 8.40 8.95 2v32B1 ALA 14 HA 0.06 0.07 0.84 -0.75 4.34 4.56 2v32B1 ALA 14 HB3 0.12 0.02 -0.12 -0.04 1.41 1.38 2v32B1 ASP 15 H 0.02 0.13 0.22 -0.55 8.40 8.22 2v32B1 ASP 15 HA 0.03 0.10 0.53 -0.75 4.63 4.53 2v32B1 ASP 15 HB2 0.01 0.01 0.18 -0.04 2.71 2.87 2v32B1 ASP 15 HB3 0.00 -0.02 0.11 -0.04 2.70 2.75 2v32B1 SER 16 H 0.03 0.26 0.14 -0.55 8.46 8.34 2v32B1 SER 16 HA 0.08 0.19 0.79 -0.75 4.49 4.80 2v32B1 SER 16 HB2 -0.01 -0.04 -0.16 -0.04 3.95 3.71 2v32B1 SER 16 HB3 0.00 0.10 -0.42 -0.04 3.93 3.57 2v32B1 THR 17 H 0.08 0.36 0.24 -0.55 8.28 8.40 2v32B1 THR 17 HA 0.07 0.06 0.59 -0.75 4.39 4.36 2v32B1 THR 17 HB 0.04 0.08 0.13 -0.04 4.32 4.53 2v32B1 THR 17 HG23 0.13 0.04 0.05 -0.04 1.22 1.40 2v32B1 ILE 18 H 0.04 0.04 -0.28 -0.55 8.25 7.50 2v32B1 ILE 18 HA 0.05 0.31 1.11 -0.75 4.18 4.90 2v32B1 ILE 18 HB 0.10 0.04 0.13 -0.04 1.89 2.12 2v32B1 ILE 18 HG12 0.03 -0.14 -0.07 -0.04 1.49 1.27 2v32B1 ILE 18 HG13 0.09 0.10 -0.28 -0.04 1.21 1.08 2v32B1 ILE 18 HG23 0.09 -0.01 -0.13 -0.04 0.93 0.84 2v32B1 ILE 18 HD13 0.25 0.01 -0.06 -0.04 0.88 1.04 2v32B1 GLY 19 H 0.04 0.26 -0.34 -0.55 8.43 7.84 2v32B1 GLY 19 HA2 0.03 -0.04 0.34 -0.51 4.01 3.83 2v32B1 GLY 19 HA3 0.04 0.23 0.71 -0.51 4.01 4.48 2v32B1 LYS 20 H 0.04 0.09 0.13 -0.55 8.42 8.12 2v32B1 LYS 20 HA 0.04 0.09 0.43 -0.75 4.32 4.13 2v32B1 LYS 20 HB2 0.04 0.01 0.12 -0.04 1.87 1.99 2v32B1 LYS 20 HB3 0.04 0.05 -0.08 -0.04 1.79 1.76 2v32B1 LYS 20 HG2 0.03 -0.03 -0.11 -0.04 1.46 1.32 2v32B1 LYS 20 HG3 0.03 -0.10 0.05 -0.04 1.46 1.39 2v32B1 LYS 20 HD2 0.02 0.01 0.03 -0.04 1.69 1.71 2v32B1 LYS 20 HD3 0.02 0.04 -0.02 -0.04 1.68 1.69 2v32B1 LYS 20 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.93 2v32B1 LYS 20 HE3 0.01 -0.04 0.02 -0.04 2.99 2.94 2v32B1 LEU 21 H 0.07 0.61 0.37 -0.55 8.37 8.87 2v32B1 LEU 21 HA 0.08 0.21 0.75 -0.75 4.35 4.64 2v32B1 LEU 21 HB2 0.13 -0.01 0.01 -0.04 1.64 1.73 2v32B1 LEU 21 HB3 0.08 0.10 -0.13 -0.04 1.64 1.65 2v32B1 LEU 21 HG 0.05 0.06 0.06 -0.04 1.64 1.77 2v32B1 LEU 21 HD13 0.02 -0.01 -0.37 -0.04 0.93 0.53 2v32B1 LEU 21 HD23 -0.23 0.01 -0.14 -0.04 0.89 0.49 2v32B1 LYS 22 H 0.09 0.22 0.11 -0.55 8.42 8.29 2v32B1 LYS 22 HA 0.02 0.27 0.87 -0.75 4.32 4.72 2v32B1 LYS 22 HB2 0.04 0.02 0.02 -0.04 1.87 1.90 2v32B1 LYS 22 HB3 0.04 -0.08 0.15 -0.04 1.79 1.86 2v32B1 LYS 22 HG2 -0.02 -0.10 -0.08 -0.04 1.46 1.22 2v32B1 LYS 22 HG3 -0.01 0.10 -0.07 -0.04 1.46 1.44 2v32B1 LYS 22 HD2 0.01 0.00 -0.03 -0.04 1.69 1.63 2v32B1 LYS 22 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.64 2v32B1 LYS 22 HE2 -0.02 -0.02 -0.02 -0.04 2.99 2.89 2v32B1 LYS 22 HE3 -0.02 0.03 -0.01 -0.04 2.99 2.95 2v32B1 PHE 23 H -0.18 0.95 0.14 -0.55 8.34 8.70 2v32B1 PHE 23 HA -0.13 0.02 0.14 -0.75 4.62 3.89 2v32B1 PHE 23 HB2 -1.84 0.01 0.09 -0.04 3.15 1.37 2v32B1 PHE 23 HB3 -0.48 -0.05 0.13 -0.04 3.06 2.62 2v32B1 PHE 23 HD2 0.01 0.03 -0.12 -0.04 7.28 7.15 2v32B1 PHE 23 HE2 0.02 0.02 -0.14 -0.04 7.38 7.24 2v32B1 PHE 23 HZ 0.05 0.02 -0.16 -0.04 7.32 7.19 2v32B1 HIS 24 H 0.03 0.06 -0.11 -0.55 8.41 7.85 2v32B1 HIS 24 HA -0.23 0.19 0.49 -0.75 4.63 4.32 2v32B1 HIS 24 HB2 -0.03 -0.09 0.06 -0.04 3.26 3.17 2v32B1 HIS 24 HB3 -0.05 0.08 -0.01 -0.04 3.20 3.17 2v32B1 HIS 24 HD2 0.13 -0.10 -0.19 -0.04 6.97 6.76 2v32B1 HIS 24 HE1 0.05 -0.01 -0.03 -0.04 7.75 7.71 2v32B1 ASP 25 H 0.05 0.02 -0.22 -0.55 8.40 7.71 2v32B1 ASP 25 HA 0.00 0.08 0.49 -0.75 4.63 4.45 2v32B1 ASP 25 HB2 0.06 0.01 0.14 -0.04 2.71 2.88 2v32B1 ASP 25 HB3 0.04 0.03 0.01 -0.04 2.70 2.74 2v32B1 TRP 26 H 0.19 0.49 -0.05 -0.55 7.97 8.05 2v32B1 TRP 26 HA -0.04 0.01 0.32 -0.75 4.62 4.16 2v32B1 TRP 26 HB2 0.01 -0.13 0.01 -0.04 3.23 3.08 2v32B1 TRP 26 HB3 -0.05 0.03 -0.01 -0.04 3.23 3.16 2v32B1 TRP 26 HD1 0.04 -0.04 -0.04 -0.04 7.22 7.14 2v32B1 TRP 26 HE1 0.06 -0.03 -0.03 -0.04 10.20 10.16 2v32B1 TRP 26 HE3 -0.25 0.09 -0.24 -0.04 7.59 7.14 2v32B1 TRP 26 HZ2 0.09 0.08 -0.01 -0.04 7.44 7.57 2v32B1 TRP 26 HZ3 0.06 0.01 -0.21 -0.04 7.13 6.96 2v32B1 TRP 26 HH2 0.11 0.03 -0.55 -0.04 7.19 6.73 2v32B1 LEU 27 H -0.07 0.42 -0.29 -0.55 8.37 7.88 2v32B1 LEU 27 HA -0.53 -0.01 0.36 -0.75 4.35 3.41 2v32B1 LEU 27 HB2 -0.49 0.09 0.13 -0.04 1.64 1.32 2v32B1 LEU 27 HB3 -0.29 0.14 0.12 -0.04 1.64 1.57 2v32B1 LEU 27 HG -0.22 0.24 -0.10 -0.04 1.64 1.51 2v32B1 LEU 27 HD13 0.01 -0.04 -0.17 -0.04 0.93 0.69 2v32B1 LEU 27 HD23 -0.58 -0.05 -0.10 -0.04 0.89 0.12 2v32B1 GLY 28 H -0.15 0.37 -0.14 -0.55 8.43 7.96 2v32B1 GLY 28 HA2 -0.11 -0.02 0.36 -0.51 4.01 3.72 2v32B1 GLY 28 HA3 -0.14 -0.03 0.60 -0.51 4.01 3.92 2v32B1 ASN 29 H -0.10 0.08 0.17 -0.55 8.53 8.13 2v32B1 ASN 29 HA -0.12 0.19 0.43 -0.75 4.76 4.50 2v32B1 ASN 29 HB2 -0.07 -0.07 0.13 -0.04 2.88 2.83 2v32B1 ASN 29 HB3 -0.06 0.00 0.12 -0.04 2.79 2.82 2v32B1 ASN 29 HD21 -0.03 -0.03 0.06 -0.04 7.03 7.00 2v32B1 ASN 29 HD22 -0.03 -0.01 0.07 -0.04 7.74 7.73 2v32B1 SER 30 H -0.15 0.36 -0.65 -0.55 8.46 7.48 2v32B1 SER 30 HA 0.01 0.05 0.64 -0.75 4.49 4.44 2v32B1 SER 30 HB2 -0.10 -0.14 0.03 -0.04 3.95 3.70 2v32B1 SER 30 HB3 -0.16 0.20 0.08 -0.04 3.93 4.01 2v32B1 TRP 31 H 0.35 0.18 0.26 -0.55 7.97 8.21 2v32B1 TRP 31 HA 0.00 0.16 0.71 -0.75 4.62 4.74 2v32B1 TRP 31 HB2 0.03 0.17 0.08 -0.04 3.23 3.46 2v32B1 TRP 31 HB3 0.05 -0.09 0.01 -0.04 3.23 3.16 2v32B1 TRP 31 HD1 0.00 0.05 0.14 -0.04 7.22 7.37 2v32B1 TRP 31 HE1 0.01 0.01 0.06 -0.04 10.20 10.23 2v32B1 TRP 31 HE3 0.05 0.01 -0.14 -0.04 7.59 7.47 2v32B1 TRP 31 HZ2 0.01 0.06 -0.03 -0.04 7.44 7.44 2v32B1 TRP 31 HZ3 0.04 -0.06 -0.14 -0.04 7.13 6.93 2v32B1 TRP 31 HH2 0.02 0.02 -0.09 -0.04 7.19 7.10 2v32B1 GLY 32 H 0.27 0.46 0.36 -0.55 8.43 8.97 2v32B1 GLY 32 HA2 0.22 0.26 0.92 -0.51 4.01 4.91 2v32B1 GLY 32 HA3 0.21 0.00 0.24 -0.51 4.01 3.95 2v32B1 VAL 33 H 0.24 0.71 0.24 -0.55 8.24 8.88 2v32B1 VAL 33 HA 0.20 0.31 0.96 -0.75 4.13 4.85 2v32B1 VAL 33 HB 0.04 -0.05 0.06 -0.04 2.12 2.13 2v32B1 VAL 33 HG13 0.13 -0.03 -0.22 -0.04 0.97 0.81 2v32B1 VAL 33 HG23 0.22 -0.01 -0.21 -0.04 0.95 0.91 2v32B1 LEU 34 H 0.21 0.58 0.25 -0.55 8.37 8.85 2v32B1 LEU 34 HA 0.16 0.31 0.92 -0.75 4.35 4.98 2v32B1 LEU 34 HB2 0.11 0.02 -0.02 -0.04 1.64 1.71 2v32B1 LEU 34 HB3 0.15 -0.01 0.13 -0.04 1.64 1.86 2v32B1 LEU 34 HG 0.18 -0.02 -0.36 -0.04 1.64 1.39 2v32B1 LEU 34 HD13 -0.04 0.01 -0.17 -0.04 0.93 0.68 2v32B1 LEU 34 HD23 0.10 -0.02 -0.14 -0.04 0.89 0.79 2v32B1 PHE 35 H -0.14 0.63 0.40 -0.55 8.34 8.68 2v32B1 PHE 35 HA 0.05 0.28 0.94 -0.75 4.62 5.14 2v32B1 PHE 35 HB2 0.09 0.09 0.13 -0.04 3.15 3.42 2v32B1 PHE 35 HB3 0.07 -0.03 -0.16 -0.04 3.06 2.89 2v32B1 PHE 35 HD2 0.05 0.05 -0.21 -0.04 7.28 7.13 2v32B1 PHE 35 HE2 -0.32 -0.04 -0.19 -0.04 7.38 6.79 2v32B1 PHE 35 HZ -0.95 0.01 -0.14 -0.04 7.32 6.20 2v32B1 SER 36 H 0.16 0.54 0.35 -0.55 8.46 8.96 2v32B1 SER 36 HA -0.08 0.20 1.15 -0.75 4.49 5.00 2v32B1 SER 36 HB2 -0.05 0.00 0.06 -0.04 3.95 3.93 2v32B1 SER 36 HB3 0.04 -0.06 -0.15 -0.04 3.93 3.71 2v32B1 HIS 37 H -0.25 0.52 0.41 -0.55 8.41 8.54 2v32B1 HIS 37 HA 0.09 0.17 0.58 -0.75 4.63 4.71 2v32B1 HIS 37 HB2 0.11 -0.07 0.08 -0.04 3.26 3.35 2v32B1 HIS 37 HB3 0.18 0.06 -0.07 -0.04 3.20 3.32 2v32B1 HIS 37 HD2 -0.19 -0.01 -0.46 -0.04 6.97 6.27 2v32B1 HIS 37 HE1 0.04 -0.02 -0.24 -0.04 7.75 7.48 2v32B1 PRO 38 HA -0.04 0.22 0.56 -0.51 4.44 4.67 2v32B1 PRO 38 HB2 0.02 -0.03 0.06 -0.04 2.28 2.28 2v32B1 PRO 38 HB3 0.00 0.03 0.08 -0.04 2.02 2.10 2v32B1 PRO 38 HG2 0.05 -0.05 0.09 -0.04 2.03 2.08 2v32B1 PRO 38 HG3 0.05 0.15 0.04 -0.04 2.03 2.22 2v32B1 PRO 38 HD2 0.12 0.00 0.16 -0.04 3.68 3.92 2v32B1 PRO 38 HD3 0.14 0.16 0.05 -0.04 3.65 3.95 2v32B1 ARG 39 H 0.08 0.18 -0.14 -0.55 8.46 8.03 2v32B1 ARG 39 HA -0.10 -0.00 0.73 -0.75 4.34 4.21 2v32B1 ARG 39 HB2 -0.04 -0.02 -0.42 -0.04 1.90 1.38 2v32B1 ARG 39 HB3 -0.08 0.02 -0.16 -0.04 1.80 1.54 2v32B1 ARG 39 HG2 -0.04 0.01 -0.09 -0.04 1.67 1.52 2v32B1 ARG 39 HG3 -0.07 0.08 -0.03 -0.04 1.67 1.61 2v32B1 ARG 39 HD2 -0.06 0.05 0.15 -0.04 3.22 3.32 2v32B1 ARG 39 HD3 -0.03 0.03 -0.09 -0.04 3.22 3.09 2v32B1 ASP 40 H -0.22 0.04 0.06 -0.55 8.40 7.73 2v32B1 ASP 40 HA -2.19 0.08 0.50 -0.75 4.63 2.27 2v32B1 ASP 40 HB2 -0.35 -0.02 -0.04 -0.04 2.71 2.26 2v32B1 ASP 40 HB3 -1.14 0.05 -0.07 -0.04 2.70 1.50 2v32B1 PHE 41 H -3.15 0.12 0.11 -0.55 8.34 4.87 2v32B1 PHE 41 HA -0.19 0.03 0.30 -0.75 4.62 4.00 2v32B1 PHE 41 HB2 -0.18 0.15 0.13 -0.04 3.15 3.21 2v32B1 PHE 41 HB3 -0.06 0.02 0.17 -0.04 3.06 3.15 2v32B1 PHE 41 HD2 0.05 0.05 -0.09 -0.04 7.28 7.25 2v32B1 PHE 41 HE2 0.13 -0.01 -0.09 -0.04 7.38 7.37 2v32B1 PHE 41 HZ 0.14 -0.02 -0.03 -0.04 7.32 7.37 2v32B1 THR 42 H -0.34 0.11 -0.12 -0.55 8.28 7.37 2v32B1 THR 42 HA 0.03 0.25 0.60 -0.75 4.39 4.51 2v32B1 THR 42 HB 0.01 -0.02 0.08 -0.04 4.32 4.35 2v32B1 THR 42 HG23 -0.05 0.05 -0.25 -0.04 1.22 0.93 2v32B1 PRO 43 HA 0.13 0.10 0.43 -0.51 4.44 4.59 2v32B1 PRO 43 HB2 0.07 0.06 0.05 -0.04 2.28 2.42 2v32B1 PRO 43 HB3 0.07 0.09 0.08 -0.04 2.02 2.22 2v32B1 PRO 43 HG2 0.05 -0.01 0.13 -0.04 2.03 2.17 2v32B1 PRO 43 HG3 0.05 0.11 0.09 -0.04 2.03 2.24 2v32B1 PRO 43 HD2 0.04 0.12 0.20 -0.04 3.68 4.00 2v32B1 PRO 43 HD3 0.06 0.21 0.13 -0.04 3.65 4.01 2v32B1 VAL 44 H 0.08 0.20 0.06 -0.55 8.24 8.03 2v32B1 VAL 44 HA 0.10 0.09 0.52 -0.75 4.13 4.09 2v32B1 VAL 44 HB 0.10 -0.01 0.08 -0.04 2.12 2.24 2v32B1 VAL 44 HG13 0.11 0.02 -0.10 -0.04 0.97 0.96 2v32B1 VAL 44 HG23 0.07 0.04 0.07 -0.04 0.95 1.09 2v32B1 SER 45 H 0.13 0.11 -0.26 -0.55 8.46 7.88 2v32B1 SER 45 HA 0.20 0.04 0.39 -0.75 4.49 4.37 2v32B1 SER 45 HB2 0.11 0.11 0.02 -0.04 3.95 4.15 2v32B1 SER 45 HB3 0.11 -0.02 -0.02 -0.04 3.93 3.95 2v32B1 THR 46 H 0.29 0.40 -0.22 -0.55 8.28 8.19 2v32B1 THR 46 HA 0.18 -0.01 0.55 -0.75 4.39 4.35 2v32B1 THR 46 HB 0.20 0.10 0.12 -0.04 4.32 4.69 2v32B1 THR 46 HG23 0.03 -0.01 -0.11 -0.04 1.22 1.09 2v32B1 THR 47 H 0.12 0.49 0.03 -0.55 8.28 8.38 2v32B1 THR 47 HA 0.05 0.08 0.57 -0.75 4.39 4.33 2v32B1 THR 47 HB 0.07 -0.01 0.06 -0.04 4.32 4.41 2v32B1 THR 47 HG23 0.07 0.04 0.05 -0.04 1.22 1.34 2v32B1 GLU 48 H 0.13 0.56 -0.10 -0.55 8.60 8.65 2v32B1 GLU 48 HA 0.14 0.05 0.33 -0.75 4.29 4.06 2v32B1 GLU 48 HB2 0.22 0.04 0.11 -0.04 2.09 2.41 2v32B1 GLU 48 HB3 0.39 -0.01 -0.04 -0.04 1.99 2.28 2v32B1 GLU 48 HG2 0.24 -0.02 0.03 -0.04 2.34 2.55 2v32B1 GLU 48 HG3 0.18 0.21 0.01 -0.04 2.34 2.70 2v32B1 LEU 49 H 0.07 0.59 0.02 -0.55 8.37 8.51 2v32B1 LEU 49 HA 0.02 0.02 0.55 -0.75 4.35 4.18 2v32B1 LEU 49 HB2 -0.19 0.13 0.16 -0.04 1.64 1.69 2v32B1 LEU 49 HB3 -0.13 -0.01 -0.01 -0.04 1.64 1.44 2v32B1 LEU 49 HG 0.23 0.01 -0.01 -0.04 1.64 1.83 2v32B1 LEU 49 HD13 0.16 -0.02 -0.06 -0.04 0.93 0.97 2v32B1 LEU 49 HD23 -0.10 -0.02 -0.07 -0.04 0.89 0.66 2v32B1 GLY 50 H -0.05 0.57 -0.28 -0.55 8.43 8.13 2v32B1 GLY 50 HA2 -0.07 0.05 0.43 -0.51 4.01 3.90 2v32B1 GLY 50 HA3 -0.05 0.11 0.27 -0.51 4.01 3.84 2v32B1 ARG 51 H -0.04 0.46 -0.20 -0.55 8.46 8.13 2v32B1 ARG 51 HA -0.02 0.07 0.53 -0.75 4.34 4.17 2v32B1 ARG 51 HB2 0.03 0.07 0.12 -0.04 1.90 2.08 2v32B1 ARG 51 HB3 -0.06 0.10 0.14 -0.04 1.80 1.93 2v32B1 ARG 51 HG2 0.13 -0.12 -0.04 -0.04 1.67 1.60 2v32B1 ARG 51 HG3 0.00 -0.04 -0.24 -0.04 1.67 1.36 2v32B1 ARG 51 HD2 0.02 0.02 0.09 -0.04 3.22 3.31 2v32B1 ARG 51 HD3 0.04 0.04 0.02 -0.04 3.22 3.28 2v32B1 VAL 52 H -0.27 0.47 -0.13 -0.55 8.24 7.75 2v32B1 VAL 52 HA -0.27 -0.00 0.43 -0.75 4.13 3.54 2v32B1 VAL 52 HB -0.27 0.09 0.06 -0.04 2.12 1.96 2v32B1 VAL 52 HG13 -0.61 -0.01 -0.16 -0.04 0.97 0.16 2v32B1 VAL 52 HG23 -1.49 0.06 -0.03 -0.04 0.95 -0.55 2v32B1 ILE 53 H 0.04 0.44 -0.26 -0.55 8.25 7.92 2v32B1 ILE 53 HA 0.09 0.02 0.57 -0.75 4.18 4.10 2v32B1 ILE 53 HB -0.02 0.22 0.17 -0.04 1.89 2.22 2v32B1 ILE 53 HG12 -0.10 -0.06 0.03 -0.04 1.49 1.32 2v32B1 ILE 53 HG13 0.07 0.17 0.07 -0.04 1.21 1.47 2v32B1 ILE 53 HG23 -0.04 0.00 -0.09 -0.04 0.93 0.76 2v32B1 ILE 53 HD13 -0.16 -0.00 -0.09 -0.04 0.88 0.59 2v32B1 GLN 54 H -0.01 0.42 -0.10 -0.55 8.47 8.24 2v32B1 GLN 54 HA 0.01 0.04 0.45 -0.75 4.36 4.10 2v32B1 GLN 54 HB2 0.00 0.13 0.22 -0.04 2.15 2.46 2v32B1 GLN 54 HB3 0.00 -0.09 0.08 -0.04 2.02 1.97 2v32B1 GLN 54 HG2 -0.00 -0.02 0.11 -0.04 2.40 2.45 2v32B1 GLN 54 HG3 -0.01 0.07 0.18 -0.04 2.39 2.59 2v32B1 GLN 54 HE21 0.00 -0.11 0.04 -0.04 6.97 6.87 2v32B1 GLN 54 HE22 -0.01 0.57 0.21 -0.04 7.69 8.42 2v32B1 LEU 55 H 0.04 0.28 -0.56 -0.55 8.37 7.59 2v32B1 LEU 55 HA 0.04 0.08 0.61 -0.75 4.35 4.32 2v32B1 LEU 55 HB2 0.24 0.06 0.04 -0.04 1.64 1.94 2v32B1 LEU 55 HB3 0.04 -0.09 0.09 -0.04 1.64 1.64 2v32B1 LEU 55 HG 0.03 0.17 -0.07 -0.04 1.64 1.72 2v32B1 LEU 55 HD13 0.08 -0.02 -0.15 -0.04 0.93 0.80 2v32B1 LEU 55 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.74 2v32B1 GLU 56 H 0.10 0.49 -0.31 -0.55 8.60 8.33 2v32B1 GLU 56 HA 0.22 0.02 0.34 -0.75 4.29 4.12 2v32B1 GLU 56 HB2 0.13 -0.02 0.12 -0.04 2.09 2.28 2v32B1 GLU 56 HB3 0.11 0.08 0.23 -0.04 1.99 2.38 2v32B1 GLU 56 HG2 0.04 0.02 0.06 -0.04 2.34 2.42 2v32B1 GLU 56 HG3 0.06 -0.04 0.05 -0.04 2.34 2.37 2v32B1 GLY 57 H 0.07 0.20 -0.30 -0.55 8.43 7.85 2v32B1 GLY 57 HA2 0.05 0.07 0.37 -0.51 4.01 3.99 2v32B1 GLY 57 HA3 0.03 0.07 0.26 -0.51 4.01 3.85 2v32B1 ASP 58 H 0.01 0.16 -0.14 -0.55 8.40 7.88 2v32B1 ASP 58 HA -0.08 0.04 0.54 -0.75 4.63 4.38 2v32B1 ASP 58 HB2 -0.21 0.18 0.15 -0.04 2.71 2.79 2v32B1 ASP 58 HB3 -0.26 -0.02 0.03 -0.04 2.70 2.41 2v32B1 PHE 59 H 0.17 0.44 -0.20 -0.55 8.34 8.20 2v32B1 PHE 59 HA -0.01 0.03 0.45 -0.75 4.62 4.34 2v32B1 PHE 59 HB2 0.02 0.14 0.14 -0.04 3.15 3.41 2v32B1 PHE 59 HB3 0.03 0.11 -0.03 -0.04 3.06 3.13 2v32B1 PHE 59 HD2 -0.01 0.12 -0.17 -0.04 7.28 7.19 2v32B1 PHE 59 HE2 -0.05 -0.04 -0.12 -0.04 7.38 7.13 2v32B1 PHE 59 HZ 0.08 -0.08 -0.07 -0.04 7.32 7.22 2v32B1 LYS 60 H 0.16 0.57 0.07 -0.55 8.42 8.66 2v32B1 LYS 60 HA 0.08 0.06 0.49 -0.75 4.32 4.20 2v32B1 LYS 60 HB2 0.08 0.09 0.16 -0.04 1.87 2.16 2v32B1 LYS 60 HB3 0.05 0.05 0.18 -0.04 1.79 2.03 2v32B1 LYS 60 HG2 0.03 -0.01 -0.17 -0.04 1.46 1.27 2v32B1 LYS 60 HG3 0.04 -0.00 0.05 -0.04 1.46 1.50 2v32B1 LYS 60 HD2 0.04 -0.01 -0.01 -0.04 1.69 1.67 2v32B1 LYS 60 HD3 0.02 -0.03 -0.03 -0.04 1.68 1.60 2v32B1 LYS 60 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.94 2v32B1 LYS 60 HE3 0.03 0.04 0.01 -0.04 2.99 3.03 2v32B1 LYS 61 H 0.02 0.51 -0.19 -0.55 8.42 8.20 2v32B1 LYS 61 HA 0.00 0.04 0.44 -0.75 4.32 4.05 2v32B1 LYS 61 HB2 -0.01 -0.05 0.13 -0.04 1.87 1.90 2v32B1 LYS 61 HB3 -0.01 -0.03 0.11 -0.04 1.79 1.82 2v32B1 LYS 61 HG2 -0.03 0.17 0.20 -0.04 1.46 1.76 2v32B1 LYS 61 HG3 -0.04 0.06 -0.10 -0.04 1.46 1.34 2v32B1 LYS 61 HD2 -0.03 -0.04 0.01 -0.04 1.69 1.58 2v32B1 LYS 61 HD3 -0.03 -0.05 -0.02 -0.04 1.68 1.54 2v32B1 LYS 61 HE2 -0.06 0.06 -0.01 -0.04 2.99 2.93 2v32B1 LYS 61 HE3 -0.05 -0.04 -0.01 -0.04 2.99 2.85 2v32B1 ARG 62 H 0.00 0.28 -0.63 -0.55 8.46 7.56 2v32B1 ARG 62 HA -0.05 0.15 0.78 -0.75 4.34 4.46 2v32B1 ARG 62 HB2 -0.05 0.07 0.08 -0.04 1.90 1.96 2v32B1 ARG 62 HB3 -0.13 -0.06 0.09 -0.04 1.80 1.66 2v32B1 ARG 62 HG2 -0.10 -0.03 -0.02 -0.04 1.67 1.48 2v32B1 ARG 62 HG3 -0.09 0.03 -0.08 -0.04 1.67 1.48 2v32B1 ARG 62 HD2 -0.21 0.05 -0.05 -0.04 3.22 2.97 2v32B1 ARG 62 HD3 -0.15 -0.06 -0.04 -0.04 3.22 2.92 2v32B1 GLY 63 H 0.03 0.39 -0.23 -0.55 8.43 8.08 2v32B1 GLY 63 HA2 0.05 0.03 0.30 -0.51 4.01 3.88 2v32B1 GLY 63 HA3 0.07 0.02 0.36 -0.51 4.01 3.95 2v32B1 VAL 64 H 0.11 0.45 -0.08 -0.55 8.24 8.18 2v32B1 VAL 64 HA 0.23 0.20 0.59 -0.75 4.13 4.39 2v32B1 VAL 64 HB 0.31 -0.04 0.00 -0.04 2.12 2.35 2v32B1 VAL 64 HG13 0.28 -0.04 -0.36 -0.04 0.97 0.82 2v32B1 VAL 64 HG23 0.05 0.00 -0.28 -0.04 0.95 0.68 2v32B1 LYS 65 H 0.11 0.70 0.19 -0.55 8.42 8.86 2v32B1 LYS 65 HA 0.08 0.07 0.76 -0.75 4.32 4.48 2v32B1 LYS 65 HB2 -0.06 0.02 0.16 -0.04 1.87 1.94 2v32B1 LYS 65 HB3 -0.21 -0.01 -0.04 -0.04 1.79 1.49 2v32B1 LYS 65 HG2 -0.18 -0.06 -0.01 -0.04 1.46 1.18 2v32B1 LYS 65 HG3 -0.16 0.11 0.04 -0.04 1.46 1.40 2v32B1 LYS 65 HD2 -0.84 0.04 0.06 -0.04 1.69 0.90 2v32B1 LYS 65 HD3 -1.08 -0.07 0.00 -0.04 1.68 0.48 2v32B1 LYS 65 HE2 -0.30 -0.11 0.01 -0.04 2.99 2.54 2v32B1 LYS 65 HE3 -0.27 -0.00 0.04 -0.04 2.99 2.72 2v32B1 LEU 66 H 0.19 0.19 0.16 -0.55 8.37 8.36 2v32B1 LEU 66 HA 0.13 0.18 0.73 -0.75 4.35 4.64 2v32B1 LEU 66 HB2 0.08 0.04 0.09 -0.04 1.64 1.81 2v32B1 LEU 66 HB3 -0.12 -0.05 -0.07 -0.04 1.64 1.35 2v32B1 LEU 66 HG -0.32 0.03 -0.20 -0.04 1.64 1.10 2v32B1 LEU 66 HD13 -0.50 0.00 -0.06 -0.04 0.93 0.33 2v32B1 LEU 66 HD23 -0.99 -0.01 -0.08 -0.04 0.89 -0.23 2v32B1 ILE 67 H 0.22 0.63 0.37 -0.55 8.25 8.91 2v32B1 ILE 67 HA 0.03 0.12 0.50 -0.75 4.18 4.08 2v32B1 ILE 67 HB -0.35 0.15 -0.07 -0.04 1.89 1.57 2v32B1 ILE 67 HG12 -0.21 -0.01 -0.17 -0.04 1.49 1.06 2v32B1 ILE 67 HG13 -0.24 0.02 0.02 -0.04 1.21 0.98 2v32B1 ILE 67 HG23 0.11 -0.00 -0.09 -0.04 0.93 0.90 2v32B1 ILE 67 HD13 -0.90 -0.02 -0.11 -0.04 0.88 -0.20 2v32B1 ALA 68 H -0.16 0.62 0.30 -0.55 8.40 8.61 2v32B1 ALA 68 HA -1.17 0.29 0.88 -0.75 4.34 3.58 2v32B1 ALA 68 HB3 -0.46 -0.02 0.05 -0.04 1.41 0.93 2v32B1 LEU 69 H -0.27 0.38 0.40 -0.55 8.37 8.33 2v32B1 LEU 69 HA -0.14 0.16 0.81 -0.75 4.35 4.43 2v32B1 LEU 69 HB2 -0.15 0.06 -0.27 -0.04 1.64 1.24 2v32B1 LEU 69 HB3 -0.13 0.05 -0.09 -0.04 1.64 1.43 2v32B1 LEU 69 HG -0.13 0.02 -0.09 -0.04 1.64 1.41 2v32B1 LEU 69 HD13 -0.24 -0.02 -0.17 -0.04 0.93 0.46 2v32B1 LEU 69 HD23 -0.12 -0.03 -0.34 -0.04 0.89 0.36 2v32B1 SER 70 H -0.07 0.52 0.27 -0.55 8.46 8.64 2v32B1 SER 70 HA -0.25 0.23 0.25 -0.75 4.49 3.96 2v32B1 SER 70 HB2 -0.36 0.16 0.07 -0.04 3.95 3.78 2v32B1 SER 70 HB3 -1.17 0.04 -0.01 -0.04 3.93 2.75 2v32B1 CYS 71 H -0.10 0.30 0.18 -0.55 8.50 8.33 2v32B1 CYS 71 HA -0.06 0.00 0.58 -0.75 4.58 4.35 2v32B1 CYS 71 HB2 -0.06 0.07 0.18 -0.04 2.97 3.12 2v32B1 CYS 71 HB3 -0.05 0.08 0.13 -0.04 2.97 3.09 2v32B1 ASP 72 H 0.02 -0.02 -0.29 -0.55 8.40 7.56 2v32B1 ASP 72 HA -0.06 0.13 0.43 -0.75 4.63 4.38 2v32B1 ASP 72 HB2 0.10 0.02 -0.10 -0.04 2.71 2.68 2v32B1 ASP 72 HB3 -0.08 -0.08 0.06 -0.04 2.70 2.56 2v32B1 ASN 73 H -0.13 0.08 0.16 -0.55 8.53 8.10 2v32B1 ASN 73 HA -0.19 0.23 0.50 -0.75 4.76 4.55 2v32B1 ASN 73 HB2 -0.07 0.02 0.15 -0.04 2.88 2.94 2v32B1 ASN 73 HB3 -0.07 0.12 0.08 -0.04 2.79 2.88 2v32B1 ASN 73 HD21 -0.00 0.05 0.02 -0.04 7.03 7.05 2v32B1 ASN 73 HD22 -0.02 0.11 0.04 -0.04 7.74 7.83 2v32B1 VAL 74 H -0.11 0.20 0.16 -0.55 8.24 7.93 2v32B1 VAL 74 HA -0.16 0.14 0.20 -0.75 4.13 3.55 2v32B1 VAL 74 HB -0.01 -0.02 0.08 -0.04 2.12 2.12 2v32B1 VAL 74 HG13 0.05 0.03 -0.16 -0.04 0.97 0.84 2v32B1 VAL 74 HG23 0.00 0.02 -0.09 -0.04 0.95 0.84 2v32B1 ALA 75 H -0.02 0.09 -0.03 -0.55 8.40 7.90 2v32B1 ALA 75 HA 0.05 0.13 0.51 -0.75 4.34 4.27 2v32B1 ALA 75 HB3 0.03 0.03 0.05 -0.04 1.41 1.48 2v32B1 ASP 76 H 0.01 0.04 -0.37 -0.55 8.40 7.53 2v32B1 ASP 76 HA 0.26 0.09 0.48 -0.75 4.63 4.70 2v32B1 ASP 76 HB2 0.00 -0.00 0.11 -0.04 2.71 2.78 2v32B1 ASP 76 HB3 0.13 0.00 -0.04 -0.04 2.70 2.75 2v32B1 HIS 77 H -0.00 0.52 -0.09 -0.55 8.41 8.29 2v32B1 HIS 77 HA 0.20 -0.04 0.42 -0.75 4.63 4.46 2v32B1 HIS 77 HB2 0.06 0.15 0.16 -0.04 3.26 3.59 2v32B1 HIS 77 HB3 0.08 -0.01 -0.02 -0.04 3.20 3.20 2v32B1 HIS 77 HD2 0.03 0.09 -0.29 -0.04 6.97 6.76 2v32B1 HIS 77 HE1 -0.02 -0.22 -0.18 -0.04 7.75 7.29 2v32B1 LYS 78 H 0.14 0.53 -0.09 -0.55 8.42 8.44 2v32B1 LYS 78 HA 0.05 0.04 0.39 -0.75 4.32 4.05 2v32B1 LYS 78 HB2 0.08 0.04 0.19 -0.04 1.87 2.13 2v32B1 LYS 78 HB3 0.05 0.01 0.02 -0.04 1.79 1.83 2v32B1 LYS 78 HG2 0.04 0.03 0.08 -0.04 1.46 1.56 2v32B1 LYS 78 HG3 0.07 -0.06 0.08 -0.04 1.46 1.51 2v32B1 LYS 78 HD2 0.05 -0.04 -0.08 -0.04 1.69 1.57 2v32B1 LYS 78 HD3 0.04 -0.00 0.02 -0.04 1.68 1.69 2v32B1 LYS 78 HE2 0.04 0.07 0.08 -0.04 2.99 3.14 2v32B1 LYS 78 HE3 0.05 -0.07 0.09 -0.04 2.99 3.02 2v32B1 GLU 79 H 0.16 0.44 -0.11 -0.55 8.60 8.55 2v32B1 GLU 79 HA 0.14 0.06 0.53 -0.75 4.29 4.26 2v32B1 GLU 79 HB2 0.19 0.02 0.14 -0.04 2.09 2.39 2v32B1 GLU 79 HB3 0.43 0.01 0.16 -0.04 1.99 2.55 2v32B1 GLU 79 HG2 0.33 -0.03 -0.06 -0.04 2.34 2.54 2v32B1 GLU 79 HG3 0.16 0.01 0.06 -0.04 2.34 2.52 2v32B1 TRP 80 H 0.17 0.78 0.02 -0.55 7.97 8.40 2v32B1 TRP 80 HA -0.10 -0.00 0.42 -0.75 4.62 4.19 2v32B1 TRP 80 HB2 -1.64 -0.02 0.09 -0.04 3.23 1.62 2v32B1 TRP 80 HB3 -0.38 0.12 0.11 -0.04 3.23 3.04 2v32B1 TRP 80 HD1 -0.12 0.09 0.13 -0.04 7.22 7.28 2v32B1 TRP 80 HE1 -0.04 0.12 0.03 -0.04 10.20 10.27 2v32B1 TRP 80 HE3 -0.15 0.07 -0.07 -0.04 7.59 7.40 2v32B1 TRP 80 HZ2 -0.13 0.03 -0.35 -0.04 7.44 6.96 2v32B1 TRP 80 HZ3 -0.45 0.03 -0.13 -0.04 7.13 6.55 2v32B1 TRP 80 HH2 -0.67 0.07 -0.17 -0.04 7.19 6.38 2v32B1 SER 81 H -0.01 0.60 -0.24 -0.55 8.46 8.26 2v32B1 SER 81 HA -0.49 -0.05 0.46 -0.75 4.49 3.66 2v32B1 SER 81 HB2 -0.06 0.23 0.17 -0.04 3.95 4.25 2v32B1 SER 81 HB3 -0.16 -0.04 0.03 -0.04 3.93 3.72 2v32B1 GLU 82 H -0.03 0.40 -0.21 -0.55 8.60 8.21 2v32B1 GLU 82 HA -0.06 0.07 0.66 -0.75 4.29 4.20 2v32B1 GLU 82 HB2 0.05 0.13 0.18 -0.04 2.09 2.41 2v32B1 GLU 82 HB3 0.01 -0.03 0.08 -0.04 1.99 2.01 2v32B1 GLU 82 HG2 0.02 0.16 0.14 -0.04 2.34 2.62 2v32B1 GLU 82 HG3 0.02 -0.03 0.07 -0.04 2.34 2.35 2v32B1 ASP 83 H -0.00 0.25 -0.09 -0.55 8.40 8.01 2v32B1 ASP 83 HA 0.01 0.06 0.56 -0.75 4.63 4.50 2v32B1 ASP 83 HB2 0.02 0.10 0.13 -0.04 2.71 2.91 2v32B1 ASP 83 HB3 0.12 -0.03 0.02 -0.04 2.70 2.76 2v32B1 VAL 84 H -0.47 0.42 -0.06 -0.55 8.24 7.58 2v32B1 VAL 84 HA -0.29 0.03 0.48 -0.75 4.13 3.60 2v32B1 VAL 84 HB -0.54 0.11 0.17 -0.04 2.12 1.82 2v32B1 VAL 84 HG13 -0.30 0.00 -0.26 -0.04 0.97 0.36 2v32B1 VAL 84 HG23 -1.47 0.01 0.01 -0.04 0.95 -0.54 2v32B1 LYS 85 H -0.20 0.62 -0.04 -0.55 8.42 8.24 2v32B1 LYS 85 HA -0.11 0.05 0.53 -0.75 4.32 4.03 2v32B1 LYS 85 HB2 -0.09 0.07 0.22 -0.04 1.87 2.02 2v32B1 LYS 85 HB3 -0.07 0.03 0.05 -0.04 1.79 1.76 2v32B1 LYS 85 HG2 -0.12 0.10 0.05 -0.04 1.46 1.45 2v32B1 LYS 85 HG3 -0.17 0.01 0.11 -0.04 1.46 1.37 2v32B1 LYS 85 HD2 -0.09 -0.05 -0.06 -0.04 1.69 1.45 2v32B1 LYS 85 HD3 -0.07 -0.06 0.03 -0.04 1.68 1.54 2v32B1 LYS 85 HE2 -0.09 0.50 0.05 -0.04 2.99 3.42 2v32B1 LYS 85 HE3 -0.13 -0.10 0.01 -0.04 2.99 2.73 2v32B1 CYS 86 H -0.07 0.39 -0.20 -0.55 8.50 8.08 2v32B1 CYS 86 HA -0.02 0.02 0.41 -0.75 4.58 4.23 2v32B1 CYS 86 HB2 -0.01 0.02 0.14 -0.04 2.97 3.08 2v32B1 CYS 86 HB3 -0.01 0.10 0.21 -0.04 2.97 3.23 2v32B1 LEU 87 H -0.05 0.63 -0.03 -0.55 8.37 8.38 2v32B1 LEU 87 HA -0.00 0.01 0.46 -0.75 4.35 4.07 2v32B1 LEU 87 HB2 -0.02 0.11 0.16 -0.04 1.64 1.84 2v32B1 LEU 87 HB3 -0.02 0.04 -0.04 -0.04 1.64 1.58 2v32B1 LEU 87 HG 0.04 -0.04 -0.02 -0.04 1.64 1.58 2v32B1 LEU 87 HD13 0.04 -0.03 -0.18 -0.04 0.93 0.72 2v32B1 LEU 87 HD23 0.03 -0.00 0.02 -0.04 0.89 0.89 2v32B1 SER 88 H -0.06 0.52 -0.23 -0.55 8.46 8.15 2v32B1 SER 88 HA -0.02 0.01 0.44 -0.75 4.49 4.16 2v32B1 SER 88 HB2 -0.03 -0.05 0.17 -0.04 3.95 3.99 2v32B1 SER 88 HB3 -0.07 0.00 0.24 -0.04 3.93 4.06 2v32B1 GLY 89 H -0.03 0.37 -0.36 -0.55 8.43 7.87 2v32B1 GLY 89 HA2 -0.01 0.01 0.28 -0.51 4.01 3.77 2v32B1 GLY 89 HA3 -0.01 0.05 0.61 -0.51 4.01 4.15 2v32B1 VAL 90 H -0.03 0.15 -0.27 -0.55 8.24 7.54 2v32B1 VAL 90 HA -0.02 0.09 0.73 -0.75 4.13 4.18 2v32B1 VAL 90 HB -0.03 -0.04 -0.02 -0.04 2.12 1.99 2v32B1 VAL 90 HG13 -0.02 0.02 -0.12 -0.04 0.97 0.81 2v32B1 VAL 90 HG23 -0.01 0.04 -0.21 -0.04 0.95 0.73 2v32B1 LYS 91 H -0.02 0.13 0.13 -0.55 8.42 8.12 2v32B1 LYS 91 HA -0.03 0.11 0.69 -0.75 4.32 4.34 2v32B1 LYS 91 HB2 -0.01 -0.01 0.08 -0.04 1.87 1.88 2v32B1 LYS 91 HB3 -0.02 -0.04 0.01 -0.04 1.79 1.70 2v32B1 LYS 91 HG2 -0.01 0.05 -0.15 -0.04 1.46 1.31 2v32B1 LYS 91 HG3 -0.01 -0.00 0.00 -0.04 1.46 1.41 2v32B1 LYS 91 HD2 -0.01 -0.04 -0.02 -0.04 1.69 1.58 2v32B1 LYS 91 HD3 -0.01 0.02 -0.08 -0.04 1.68 1.57 2v32B1 LYS 91 HE2 -0.01 0.04 -0.04 -0.04 2.99 2.94 2v32B1 LYS 91 HE3 -0.01 -0.02 -0.02 -0.04 2.99 2.90 2v32B1 GLY 92 H -0.03 0.11 0.11 -0.55 8.43 8.08 2v32B1 GLY 92 HA2 -0.02 -0.07 0.31 -0.51 4.01 3.72 2v32B1 GLY 92 HA3 -0.03 0.27 0.83 -0.51 4.01 4.57 2v32B1 ASP 93 H -0.03 0.08 0.10 -0.55 8.40 8.00 2v32B1 ASP 93 HA -0.05 -0.03 0.39 -0.75 4.63 4.19 2v32B1 ASP 93 HB2 -0.02 0.04 0.02 -0.04 2.71 2.70 2v32B1 ASP 93 HB3 -0.03 0.06 0.02 -0.04 2.70 2.72 2v32B1 MET 94 H -0.09 0.01 0.14 -0.55 8.47 7.98 2v32B1 MET 94 HA -0.23 0.12 0.44 -0.75 4.52 4.09 2v32B1 MET 94 HB2 -0.13 -0.08 0.13 -0.04 2.15 2.03 2v32B1 MET 94 HB3 -0.31 0.16 -0.01 -0.04 2.03 1.83 2v32B1 MET 94 HG2 -0.17 -0.03 0.07 -0.04 2.63 2.47 2v32B1 MET 94 HG3 -0.21 -0.07 0.04 -0.04 2.56 2.28 2v32B1 MET 94 HE3 -0.51 0.00 -0.03 -0.04 2.10 1.52 2v32B1 PRO 95 HA -0.01 0.10 0.40 -0.51 4.44 4.42 2v32B1 PRO 95 HB2 0.11 0.00 -0.01 -0.04 2.28 2.35 2v32B1 PRO 95 HB3 0.02 0.03 0.10 -0.04 2.02 2.13 2v32B1 PRO 95 HG2 -0.06 -0.02 0.04 -0.04 2.03 1.95 2v32B1 PRO 95 HG3 -0.06 0.08 0.07 -0.04 2.03 2.08 2v32B1 PRO 95 HD2 -0.61 0.03 0.16 -0.04 3.68 3.21 2v32B1 PRO 95 HD3 -0.22 0.20 0.20 -0.04 3.65 3.79 2v32B1 TYR 96 H -0.43 0.17 -0.30 -0.55 8.29 7.18 2v32B1 TYR 96 HA 0.15 0.22 0.60 -0.75 4.56 4.78 2v32B1 TYR 96 HB2 0.11 0.11 -0.13 -0.04 3.06 3.11 2v32B1 TYR 96 HB3 0.10 0.07 -0.11 -0.04 2.98 3.00 2v32B1 TYR 96 HD2 -0.02 0.13 -0.33 -0.04 7.15 6.90 2v32B1 TYR 96 HE2 -0.07 -0.05 -0.19 -0.04 6.85 6.50 2v32B1 PRO 97 HA 0.04 0.01 0.51 -0.51 4.44 4.49 2v32B1 PRO 97 HB2 -0.14 -0.01 -0.07 -0.04 2.28 2.01 2v32B1 PRO 97 HB3 0.01 -0.06 0.04 -0.04 2.02 1.96 2v32B1 PRO 97 HG2 -0.16 0.09 0.06 -0.04 2.03 1.97 2v32B1 PRO 97 HG3 0.30 0.08 0.02 -0.04 2.03 2.39 2v32B1 PRO 97 HD2 0.33 0.34 0.33 -0.04 3.68 4.64 2v32B1 PRO 97 HD3 0.37 0.22 0.16 -0.04 3.65 4.35 2v32B1 ILE 98 H 0.01 0.02 0.16 -0.55 8.25 7.89 2v32B1 ILE 98 HA -0.09 0.33 0.73 -0.75 4.18 4.40 2v32B1 ILE 98 HB -0.18 -0.11 0.07 -0.04 1.89 1.63 2v32B1 ILE 98 HG12 0.07 0.09 -0.19 -0.04 1.49 1.43 2v32B1 ILE 98 HG13 -0.01 -0.01 -0.37 -0.04 1.21 0.78 2v32B1 ILE 98 HG23 -0.42 0.02 -0.22 -0.04 0.93 0.27 2v32B1 ILE 98 HD13 -0.07 -0.00 -0.08 -0.04 0.88 0.68 2v32B1 ILE 99 H -0.10 0.81 0.28 -0.55 8.25 8.70 2v32B1 ILE 99 HA 0.02 0.10 0.74 -0.75 4.18 4.29 2v32B1 ILE 99 HB -0.09 0.02 0.15 -0.04 1.89 1.93 2v32B1 ILE 99 HG12 0.04 0.02 -0.10 -0.04 1.49 1.40 2v32B1 ILE 99 HG13 -0.10 -0.05 -0.08 -0.04 1.21 0.94 2v32B1 ILE 99 HG23 -0.10 -0.01 -0.23 -0.04 0.93 0.55 2v32B1 ILE 99 HD13 0.01 0.02 -0.14 -0.04 0.88 0.72 2v32B1 ALA 100 H 0.04 0.73 0.21 -0.55 8.40 8.84 2v32B1 ALA 100 HA 0.14 0.29 0.89 -0.75 4.34 4.91 2v32B1 ALA 100 HB3 -0.09 -0.02 0.01 -0.04 1.41 1.27 2v32B1 ASP 101 H -0.03 0.80 0.21 -0.55 8.40 8.83 2v32B1 ASP 101 HA -0.09 0.09 0.65 -0.75 4.63 4.52 2v32B1 ASP 101 HB2 -0.15 0.10 -0.04 -0.04 2.71 2.58 2v32B1 ASP 101 HB3 -0.10 0.07 0.01 -0.04 2.70 2.64 2v32B1 GLU 102 H -0.05 0.37 -0.19 -0.55 8.60 8.17 2v32B1 GLU 102 HA -0.05 0.34 0.18 -0.75 4.29 4.01 2v32B1 GLU 102 HB2 -0.04 -0.03 0.05 -0.04 2.09 2.03 2v32B1 GLU 102 HB3 -0.04 0.02 0.07 -0.04 1.99 2.00 2v32B1 GLU 102 HG2 -0.07 0.11 -0.24 -0.04 2.34 2.10 2v32B1 GLU 102 HG3 -0.07 0.01 -0.16 -0.04 2.34 2.08 2v32B1 THR 103 H -0.05 -0.01 -0.25 -0.55 8.28 7.42 2v32B1 THR 103 HA -0.04 0.25 0.75 -0.75 4.39 4.60 2v32B1 THR 103 HB -0.04 0.09 0.14 -0.04 4.32 4.47 2v32B1 THR 103 HG23 -0.03 0.01 0.02 -0.04 1.22 1.18 2v32B1 ARG 104 H -0.07 0.44 -0.18 -0.55 8.46 8.10 2v32B1 ARG 104 HA -0.07 -0.02 0.28 -0.75 4.34 3.77 2v32B1 ARG 104 HB2 -0.04 0.32 -0.22 -0.04 1.90 1.93 2v32B1 ARG 104 HB3 -0.04 -0.05 0.18 -0.04 1.80 1.84 2v32B1 ARG 104 HG2 -0.03 0.03 -0.04 -0.04 1.67 1.59 2v32B1 ARG 104 HG3 -0.05 -0.11 -0.06 -0.04 1.67 1.41 2v32B1 ARG 104 HD2 -0.05 0.02 -0.14 -0.04 3.22 3.01 2v32B1 ARG 104 HD3 -0.04 0.05 -0.20 -0.04 3.22 2.99 2v32B1 GLU 105 H -0.08 0.00 -0.29 -0.55 8.60 7.69 2v32B1 GLU 105 HA -0.07 0.23 0.28 -0.75 4.29 3.98 2v32B1 GLU 105 HB2 -0.08 -0.07 0.05 -0.04 2.09 1.95 2v32B1 GLU 105 HB3 -0.07 0.07 0.00 -0.04 1.99 1.95 2v32B1 GLU 105 HG2 -0.05 -0.01 -0.09 -0.04 2.34 2.15 2v32B1 GLU 105 HG3 -0.04 0.03 -0.01 -0.04 2.34 2.28 2v32B1 LEU 106 H -0.16 -0.00 -0.11 -0.55 8.37 7.55 2v32B1 LEU 106 HA -0.23 0.17 0.42 -0.75 4.35 3.95 2v32B1 LEU 106 HB2 -0.27 -0.08 -0.01 -0.04 1.64 1.24 2v32B1 LEU 106 HB3 -0.36 0.10 -0.11 -0.04 1.64 1.23 2v32B1 LEU 106 HG -0.35 -0.09 -0.05 -0.04 1.64 1.10 2v32B1 LEU 106 HD13 -0.76 0.01 -0.12 -0.04 0.93 0.02 2v32B1 LEU 106 HD23 -0.64 0.03 -0.10 -0.04 0.89 0.15 2v32B1 ALA 107 H -0.11 -0.03 -0.33 -0.55 8.40 7.38 2v32B1 ALA 107 HA -0.05 0.06 0.20 -0.75 4.34 3.80 2v32B1 ALA 107 HB3 -0.05 0.03 -0.11 -0.04 1.41 1.24 2v32B1 VAL 108 H -0.07 0.44 -0.35 -0.55 8.24 7.72 2v32B1 VAL 108 HA -0.03 0.06 0.59 -0.75 4.13 3.99 2v32B1 VAL 108 HB -0.05 0.06 0.07 -0.04 2.12 2.15 2v32B1 VAL 108 HG13 -0.03 0.01 -0.06 -0.04 0.97 0.85 2v32B1 VAL 108 HG23 -0.04 0.04 0.01 -0.04 0.95 0.92 2v32B1 LYS 109 H -0.10 0.45 -0.03 -0.55 8.42 8.19 2v32B1 LYS 109 HA -0.09 0.09 0.39 -0.75 4.32 3.96 2v32B1 LYS 109 HB2 -0.12 0.10 0.16 -0.04 1.87 1.97 2v32B1 LYS 109 HB3 -0.19 -0.06 0.03 -0.04 1.79 1.53 2v32B1 LYS 109 HG2 -0.16 0.08 -0.04 -0.04 1.46 1.31 2v32B1 LYS 109 HG3 -0.10 -0.01 0.04 -0.04 1.46 1.36 2v32B1 LYS 109 HD2 -0.17 -0.05 -0.06 -0.04 1.69 1.36 2v32B1 LYS 109 HD3 -0.13 0.01 -0.03 -0.04 1.68 1.49 2v32B1 LYS 109 HE2 -0.06 0.01 -0.03 -0.04 2.99 2.87 2v32B1 LYS 109 HE3 -0.08 0.03 -0.04 -0.04 2.99 2.86 2v32B1 LEU 110 H -0.13 0.50 -0.31 -0.55 8.37 7.89 2v32B1 LEU 110 HA -0.22 0.17 0.42 -0.75 4.35 3.97 2v32B1 LEU 110 HB2 -0.07 -0.01 -0.05 -0.04 1.64 1.47 2v32B1 LEU 110 HB3 -0.31 -0.03 0.01 -0.04 1.64 1.28 2v32B1 LEU 110 HG -0.30 -0.01 -0.04 -0.04 1.64 1.24 2v32B1 LEU 110 HD13 -0.25 -0.03 -0.13 -0.04 0.93 0.47 2v32B1 LEU 110 HD23 -0.75 0.03 -0.15 -0.04 0.89 -0.03 2v32B1 GLY 111 H -0.02 0.34 -0.53 -0.55 8.43 7.67 2v32B1 GLY 111 HA2 0.02 0.04 0.28 -0.51 4.01 3.84 2v32B1 GLY 111 HA3 0.05 0.06 0.49 -0.51 4.01 4.10 2v32B1 MET 112 H 0.04 0.42 -0.06 -0.55 8.47 8.33 2v32B1 MET 112 HA 0.09 0.26 0.69 -0.75 4.52 4.80 2v32B1 MET 112 HB2 0.13 -0.10 0.00 -0.04 2.15 2.14 2v32B1 MET 112 HB3 0.28 0.13 -0.28 -0.04 2.03 2.12 2v32B1 MET 112 HG2 0.04 0.12 -0.07 -0.04 2.63 2.67 2v32B1 MET 112 HG3 0.04 -0.15 -0.09 -0.04 2.56 2.32 2v32B1 MET 112 HE3 -0.06 0.00 -0.36 -0.04 2.10 1.64 2v32B1 VAL 113 H 0.02 0.17 -0.15 -0.55 8.24 7.73 2v32B1 VAL 113 HA -0.00 0.02 0.45 -0.75 4.13 3.85 2v32B1 VAL 113 HB 0.00 0.02 -0.01 -0.04 2.12 2.09 2v32B1 VAL 113 HG13 -0.00 0.03 -0.12 -0.04 0.97 0.83 2v32B1 VAL 113 HG23 -0.01 0.01 -0.20 -0.04 0.95 0.70 2v32B1 ASP 114 H 0.00 0.85 0.35 -0.55 8.40 9.05 2v32B1 ASP 114 HA 0.02 0.06 0.48 -0.75 4.63 4.43 2v32B1 ASP 114 HB2 0.01 0.22 -0.29 -0.04 2.71 2.62 2v32B1 ASP 114 HB3 0.01 0.11 0.09 -0.04 2.70 2.86 2v32B1 PRO 115 HA 0.01 0.20 0.44 -0.51 4.44 4.58 2v32B1 PRO 115 HB2 0.01 0.02 -0.02 -0.04 2.28 2.25 2v32B1 PRO 115 HB3 0.01 0.08 0.08 -0.04 2.02 2.15 2v32B1 PRO 115 HG2 0.01 -0.05 0.08 -0.04 2.03 2.02 2v32B1 PRO 115 HG3 0.01 0.10 0.07 -0.04 2.03 2.17 2v32B1 PRO 115 HD2 0.02 -0.13 0.24 -0.04 3.68 3.77 2v32B1 PRO 115 HD3 0.02 0.26 0.20 -0.04 3.65 4.10 2v32B1 ASP 116 H 0.01 -0.11 -0.14 -0.55 8.40 7.61 2v32B1 ASP 116 HA 0.00 0.29 0.92 -0.75 4.63 5.08 2v32B1 ASP 116 HB2 0.01 -0.08 -0.02 -0.04 2.71 2.57 2v32B1 ASP 116 HB3 0.00 0.04 0.05 -0.04 2.70 2.75 2v32B1 GLU 117 H 0.01 -0.04 -0.03 -0.55 8.60 8.00 2v32B1 GLU 117 HA 0.00 0.16 0.73 -0.75 4.29 4.43 2v32B1 GLU 117 HB2 0.00 -0.01 0.12 -0.04 2.09 2.16 2v32B1 GLU 117 HB3 -0.00 0.06 -0.06 -0.04 1.99 1.94 2v32B1 GLU 117 HG2 0.01 -0.15 -0.00 -0.04 2.34 2.16 2v32B1 GLU 117 HG3 0.01 -0.01 -0.00 -0.04 2.34 2.30 2v32B1 ARG 118 H -0.00 0.27 0.19 -0.55 8.46 8.36 2v32B1 ARG 118 HA -0.01 0.18 0.67 -0.75 4.34 4.43 2v32B1 ARG 118 HB2 -0.01 0.01 -0.06 -0.04 1.90 1.80 2v32B1 ARG 118 HB3 -0.01 -0.02 -0.16 -0.04 1.80 1.57 2v32B1 ARG 118 HG2 -0.01 0.03 -0.26 -0.04 1.67 1.38 2v32B1 ARG 118 HG3 -0.00 0.00 -0.36 -0.04 1.67 1.26 2v32B1 ARG 118 HD2 -0.01 -0.03 -0.13 -0.04 3.22 3.01 2v32B1 ARG 118 HD3 -0.01 0.07 -0.31 -0.04 3.22 2.93 2v32B1 THR 119 H -0.01 0.59 0.16 -0.55 8.28 8.47 2v32B1 THR 119 HA -0.01 0.11 0.48 -0.75 4.39 4.22 2v32B1 THR 119 HB -0.01 -0.11 0.18 -0.04 4.32 4.34 2v32B1 THR 119 HG23 -0.02 0.07 0.00 -0.04 1.22 1.23 2v32B1 SER 120 H -0.01 0.12 0.17 -0.55 8.46 8.19 2v32B1 SER 120 HA -0.01 0.17 0.50 -0.75 4.49 4.40 2v32B1 SER 120 HB2 -0.01 0.06 0.04 -0.04 3.95 4.00 2v32B1 SER 120 HB3 -0.01 0.04 0.14 -0.04 3.93 4.07 2v32B1 THR 121 H -0.01 0.01 -0.08 -0.55 8.28 7.64 2v32B1 THR 121 HA -0.01 0.15 0.46 -0.75 4.39 4.23 2v32B1 THR 121 HB -0.01 0.07 0.12 -0.04 4.32 4.46 2v32B1 THR 121 HG23 -0.01 -0.01 0.05 -0.04 1.22 1.20 2v32B1 GLY 122 H -0.01 0.38 -0.85 -0.55 8.43 7.41 2v32B1 GLY 122 HA2 -0.01 0.09 0.17 -0.51 4.01 3.75 2v32B1 GLY 122 HA3 -0.01 0.11 0.46 -0.51 4.01 4.06 2v32B1 MET 123 H -0.01 -0.11 -0.15 -0.55 8.47 7.65 2v32B1 MET 123 HA -0.02 0.22 0.67 -0.75 4.52 4.64 2v32B1 MET 123 HB2 -0.02 -0.17 0.08 -0.04 2.15 2.00 2v32B1 MET 123 HB3 -0.02 0.15 0.06 -0.04 2.03 2.17 2v32B1 MET 123 HG2 -0.02 -0.03 -0.15 -0.04 2.63 2.39 2v32B1 MET 123 HG3 -0.02 -0.03 -0.00 -0.04 2.56 2.46 2v32B1 MET 123 HE3 -0.03 -0.00 0.02 -0.04 2.10 2.05 2v32B1 PRO 124 HA -0.01 0.16 0.56 -0.51 4.44 4.64 2v32B1 PRO 124 HB2 -0.02 -0.02 -0.03 -0.04 2.28 2.17 2v32B1 PRO 124 HB3 -0.01 0.09 0.10 -0.04 2.02 2.15 2v32B1 PRO 124 HG2 -0.03 -0.04 0.03 -0.04 2.03 1.96 2v32B1 PRO 124 HG3 -0.02 0.07 0.06 -0.04 2.03 2.10 2v32B1 PRO 124 HD2 -0.02 0.05 0.24 -0.04 3.68 3.90 2v32B1 PRO 124 HD3 -0.02 0.23 0.19 -0.04 3.65 4.01 2v32B1 LEU 125 H -0.02 0.41 0.32 -0.55 8.37 8.54 2v32B1 LEU 125 HA -0.04 0.03 0.71 -0.75 4.35 4.30 2v32B1 LEU 125 HB2 -0.02 0.12 0.05 -0.04 1.64 1.75 2v32B1 LEU 125 HB3 -0.03 0.13 0.21 -0.04 1.64 1.90 2v32B1 LEU 125 HG -0.02 0.03 -0.42 -0.04 1.64 1.18 2v32B1 LEU 125 HD13 -0.02 -0.04 -0.31 -0.04 0.93 0.52 2v32B1 LEU 125 HD23 -0.04 0.05 0.10 -0.04 0.89 0.95 2v32B1 THR 126 H -0.05 0.04 0.19 -0.55 8.28 7.90 2v32B1 THR 126 HA -0.01 0.21 0.57 -0.75 4.39 4.42 2v32B1 THR 126 HB -0.00 0.09 0.04 -0.04 4.32 4.41 2v32B1 THR 126 HG23 -0.06 -0.05 -0.07 -0.04 1.22 1.00 2v32B1 CYS 127 H 0.03 0.61 0.13 -0.55 8.50 8.72 2v32B1 CYS 127 HA 0.04 -0.02 0.64 -0.75 4.58 4.49 2v32B1 CYS 127 HB2 0.06 0.11 0.07 -0.04 2.97 3.17 2v32B1 CYS 127 HB3 0.04 -0.03 -0.12 -0.04 2.97 2.81 2v32B1 ARG 128 H 0.08 0.71 0.12 -0.55 8.46 8.82 2v32B1 ARG 128 HA 0.11 0.36 0.80 -0.75 4.34 4.85 2v32B1 ARG 128 HB2 0.14 0.05 0.15 -0.04 1.90 2.20 2v32B1 ARG 128 HB3 0.11 -0.05 0.10 -0.04 1.80 1.91 2v32B1 ARG 128 HG2 0.14 -0.07 -0.12 -0.04 1.67 1.58 2v32B1 ARG 128 HG3 0.11 -0.01 -0.28 -0.04 1.67 1.45 2v32B1 ARG 128 HD2 0.15 0.30 -0.17 -0.04 3.22 3.46 2v32B1 ARG 128 HD3 0.16 -0.13 -0.04 -0.04 3.22 3.16 2v32B1 ALA 129 H 0.05 0.17 -0.00 -0.55 8.40 8.07 2v32B1 ALA 129 HA -0.15 0.29 0.80 -0.75 4.34 4.53 2v32B1 ALA 129 HB3 -0.10 -0.00 -0.00 -0.04 1.41 1.26 2v32B1 VAL 130 H -0.41 0.58 0.40 -0.55 8.24 8.26 2v32B1 VAL 130 HA -0.03 0.29 0.82 -0.75 4.13 4.46 2v32B1 VAL 130 HB -0.20 -0.10 0.09 -0.04 2.12 1.86 2v32B1 VAL 130 HG13 0.00 0.00 -0.14 -0.04 0.97 0.80 2v32B1 VAL 130 HG23 -0.21 0.01 -0.19 -0.04 0.95 0.52 2v32B1 PHE 131 H 0.12 0.75 0.31 -0.55 8.34 8.96 2v32B1 PHE 131 HA 0.08 0.25 1.11 -0.75 4.62 5.31 2v32B1 PHE 131 HB2 -0.08 -0.06 0.10 -0.04 3.15 3.07 2v32B1 PHE 131 HB3 -0.05 0.03 -0.04 -0.04 3.06 2.96 2v32B1 PHE 131 HD2 0.18 0.01 -0.11 -0.04 7.28 7.32 2v32B1 PHE 131 HE2 0.10 -0.01 -0.12 -0.04 7.38 7.31 2v32B1 PHE 131 HZ 0.07 0.13 -0.13 -0.04 7.32 7.35 2v32B1 ILE 132 H 0.16 0.55 0.30 -0.55 8.25 8.71 2v32B1 ILE 132 HA 0.20 0.35 1.10 -0.75 4.18 5.07 2v32B1 ILE 132 HB 0.21 -0.10 0.14 -0.04 1.89 2.10 2v32B1 ILE 132 HG12 0.14 0.02 -0.17 -0.04 1.49 1.44 2v32B1 ILE 132 HG13 0.10 -0.01 -0.14 -0.04 1.21 1.12 2v32B1 ILE 132 HG23 0.37 0.02 -0.10 -0.04 0.93 1.18 2v32B1 ILE 132 HD13 0.10 -0.00 -0.11 -0.04 0.88 0.82 2v32B1 ILE 133 H 0.18 0.76 0.40 -0.55 8.25 9.04 2v32B1 ILE 133 HA -0.00 0.17 0.79 -0.75 4.18 4.39 2v32B1 ILE 133 HB 0.04 0.00 0.09 -0.04 1.89 1.98 2v32B1 ILE 133 HG12 -0.43 0.01 -0.24 -0.04 1.49 0.79 2v32B1 ILE 133 HG13 -0.14 -0.13 -0.65 -0.04 1.21 0.25 2v32B1 ILE 133 HG23 -0.03 0.06 -0.22 -0.04 0.93 0.69 2v32B1 ILE 133 HD13 -0.32 -0.00 -0.16 -0.04 0.88 0.35 2v32B1 GLY 134 H -0.24 0.41 0.23 -0.55 8.43 8.28 2v32B1 GLY 134 HA2 -1.67 0.14 0.60 -0.51 4.01 2.57 2v32B1 GLY 134 HA3 -0.90 -0.01 0.37 -0.51 4.01 2.96 2v32B1 PRO 135 HA -0.29 0.28 0.17 -0.51 4.44 4.09 2v32B1 PRO 135 HB2 -0.22 -0.05 -0.03 -0.04 2.28 1.94 2v32B1 PRO 135 HB3 -0.18 0.31 -0.00 -0.04 2.02 2.12 2v32B1 PRO 135 HG2 -0.24 0.04 0.07 -0.04 2.03 1.86 2v32B1 PRO 135 HG3 -0.47 0.05 -0.01 -0.04 2.03 1.55 2v32B1 PRO 135 HD2 -0.85 0.06 0.19 -0.04 3.68 3.04 2v32B1 PRO 135 HD3 -2.53 0.12 0.22 -0.04 3.65 1.42 2v32B1 ASP 136 H -0.30 0.05 -0.30 -0.55 8.40 7.31 2v32B1 ASP 136 HA -0.14 0.18 0.63 -0.75 4.63 4.54 2v32B1 ASP 136 HB2 -0.09 0.01 0.11 -0.04 2.71 2.71 2v32B1 ASP 136 HB3 -0.12 0.03 0.05 -0.04 2.70 2.62 2v32B1 LYS 137 H -0.23 0.61 -0.47 -0.55 8.42 7.77 2v32B1 LYS 137 HA -0.17 0.13 0.23 -0.75 4.32 3.75 2v32B1 LYS 137 HB2 -0.17 0.20 0.10 -0.04 1.87 1.96 2v32B1 LYS 137 HB3 -0.35 -0.08 0.14 -0.04 1.79 1.46 2v32B1 LYS 137 HG2 -0.27 0.08 -0.42 -0.04 1.46 0.80 2v32B1 LYS 137 HG3 -0.49 -0.09 -0.13 -0.04 1.46 0.71 2v32B1 LYS 137 HD2 -1.06 -0.15 -0.02 -0.04 1.69 0.42 2v32B1 LYS 137 HD3 -0.36 0.07 -0.02 -0.04 1.68 1.34 2v32B1 LYS 137 HE2 -0.28 -0.18 0.03 -0.04 2.99 2.52 2v32B1 LYS 137 HE3 -0.29 0.06 0.07 -0.04 2.99 2.79 2v32B1 LYS 138 H -0.11 -0.04 -0.42 -0.55 8.42 7.29 2v32B1 LYS 138 HA 0.07 0.29 0.57 -0.75 4.32 4.49 2v32B1 LYS 138 HB2 -0.05 -0.12 -0.07 -0.04 1.87 1.58 2v32B1 LYS 138 HB3 0.01 0.00 -0.16 -0.04 1.79 1.60 2v32B1 LYS 138 HG2 0.02 0.18 -0.31 -0.04 1.46 1.32 2v32B1 LYS 138 HG3 -0.01 0.07 -0.24 -0.04 1.46 1.24 2v32B1 LYS 138 HD2 -0.03 -0.08 -0.05 -0.04 1.69 1.48 2v32B1 LYS 138 HD3 -0.00 0.01 -0.01 -0.04 1.68 1.64 2v32B1 LYS 138 HE2 0.01 0.03 -0.01 -0.04 2.99 2.98 2v32B1 LYS 138 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 2v32B1 LEU 139 H 0.14 0.56 0.13 -0.55 8.37 8.66 2v32B1 LEU 139 HA 0.14 0.14 0.56 -0.75 4.35 4.44 2v32B1 LEU 139 HB2 0.40 0.02 -0.01 -0.04 1.64 2.01 2v32B1 LEU 139 HB3 0.20 0.03 0.10 -0.04 1.64 1.93 2v32B1 LEU 139 HG 0.21 -0.10 -0.46 -0.04 1.64 1.25 2v32B1 LEU 139 HD13 0.35 0.09 -0.01 -0.04 0.93 1.32 2v32B1 LEU 139 HD23 0.31 -0.01 -0.40 -0.04 0.89 0.76 2v32B1 LYS 140 H 0.14 0.72 0.44 -0.55 8.42 9.16 2v32B1 LYS 140 HA 0.10 0.10 0.66 -0.75 4.32 4.42 2v32B1 LYS 140 HB2 0.25 0.06 0.05 -0.04 1.87 2.20 2v32B1 LYS 140 HB3 0.22 -0.00 0.05 -0.04 1.79 2.02 2v32B1 LYS 140 HG2 -0.03 0.05 0.04 -0.04 1.46 1.48 2v32B1 LYS 140 HG3 -0.02 0.00 -0.04 -0.04 1.46 1.36 2v32B1 LYS 140 HD2 0.07 0.04 -0.02 -0.04 1.69 1.73 2v32B1 LYS 140 HD3 0.03 0.01 -0.27 -0.04 1.68 1.41 2v32B1 LYS 140 HE2 -0.15 -0.06 -0.05 -0.04 2.99 2.68 2v32B1 LYS 140 HE3 -0.23 0.01 0.00 -0.04 2.99 2.73 2v32B1 LEU 141 H 0.16 0.24 0.21 -0.55 8.37 8.43 2v32B1 LEU 141 HA 0.09 0.08 0.60 -0.75 4.35 4.37 2v32B1 LEU 141 HB2 0.11 0.12 -0.30 -0.04 1.64 1.53 2v32B1 LEU 141 HB3 0.10 -0.07 -0.03 -0.04 1.64 1.60 2v32B1 LEU 141 HG 0.05 0.02 0.07 -0.04 1.64 1.74 2v32B1 LEU 141 HD13 0.05 0.01 -0.04 -0.04 0.93 0.90 2v32B1 LEU 141 HD23 0.01 -0.01 -0.26 -0.04 0.89 0.59 2v32B1 SER 142 H 0.06 0.26 0.20 -0.55 8.46 8.43 2v32B1 SER 142 HA -0.07 0.29 0.64 -0.75 4.49 4.61 2v32B1 SER 142 HB2 -0.19 0.08 0.17 -0.04 3.95 3.97 2v32B1 SER 142 HB3 0.27 -0.02 -0.06 -0.04 3.93 4.08 2v32B1 ILE 143 H -0.26 0.49 0.35 -0.55 8.25 8.28 2v32B1 ILE 143 HA -0.03 0.16 0.73 -0.75 4.18 4.29 2v32B1 ILE 143 HB -0.17 0.02 0.03 -0.04 1.89 1.73 2v32B1 ILE 143 HG12 -0.29 -0.03 0.10 -0.04 1.49 1.23 2v32B1 ILE 143 HG13 -0.37 0.03 -0.11 -0.04 1.21 0.71 2v32B1 ILE 143 HG23 -0.10 0.00 -0.14 -0.04 0.93 0.66 2v32B1 ILE 143 HD13 -0.81 -0.00 -0.08 -0.04 0.88 -0.05 2v32B1 LEU 144 H 0.06 0.24 0.07 -0.55 8.37 8.19 2v32B1 LEU 144 HA -0.01 0.11 0.78 -0.75 4.35 4.48 2v32B1 LEU 144 HB2 0.05 -0.02 0.16 -0.04 1.64 1.80 2v32B1 LEU 144 HB3 0.05 0.01 -0.00 -0.04 1.64 1.66 2v32B1 LEU 144 HG 0.01 -0.07 -0.23 -0.04 1.64 1.32 2v32B1 LEU 144 HD13 0.07 0.03 0.02 -0.04 0.93 1.01 2v32B1 LEU 144 HD23 0.05 0.02 -0.07 -0.04 0.89 0.85 2v32B1 TYR 145 H 0.12 0.53 0.05 -0.55 8.29 8.44 2v32B1 TYR 145 HA -0.01 0.17 0.90 -0.75 4.56 4.86 2v32B1 TYR 145 HB2 -0.02 0.17 0.17 -0.04 3.06 3.33 2v32B1 TYR 145 HB3 -0.01 0.19 0.00 -0.04 2.98 3.12 2v32B1 TYR 145 HD2 -0.04 0.11 -0.35 -0.04 7.15 6.83 2v32B1 TYR 145 HE2 -0.05 -0.02 -0.05 -0.04 6.85 6.68 2v32B1 PRO 146 HA 0.05 0.09 0.46 -0.51 4.44 4.54 2v32B1 PRO 146 HB2 0.02 -0.15 0.14 -0.04 2.28 2.25 2v32B1 PRO 146 HB3 0.02 0.12 0.13 -0.04 2.02 2.25 2v32B1 PRO 146 HG2 -0.01 -0.05 0.01 -0.04 2.03 1.93 2v32B1 PRO 146 HG3 -0.03 0.10 0.07 -0.04 2.03 2.13 2v32B1 PRO 146 HD2 -0.09 0.14 0.22 -0.04 3.68 3.91 2v32B1 PRO 146 HD3 -0.02 0.23 0.20 -0.04 3.65 4.02 2v32B1 ALA 147 H 0.04 0.12 0.20 -0.55 8.40 8.21 2v32B1 ALA 147 HA 0.07 0.12 0.38 -0.75 4.34 4.16 2v32B1 ALA 147 HB3 0.03 0.02 0.11 -0.04 1.41 1.53 2v32B1 THR 148 H 0.03 0.03 -0.25 -0.55 8.28 7.54 2v32B1 THR 148 HA 0.03 0.05 0.26 -0.75 4.39 3.97 2v32B1 THR 148 HB 0.01 0.04 0.06 -0.04 4.32 4.39 2v32B1 THR 148 HG23 0.01 -0.01 0.02 -0.04 1.22 1.20 2v32B1 THR 149 H 0.06 0.41 -0.77 -0.55 8.28 7.42 2v32B1 THR 149 HA 0.02 0.13 0.73 -0.75 4.39 4.52 2v32B1 THR 149 HB -0.06 -0.01 0.04 -0.04 4.32 4.25 2v32B1 THR 149 HG23 -0.14 0.02 -0.07 -0.04 1.22 0.98 2v32B1 GLY 150 H 0.07 0.13 0.12 -0.55 8.43 8.21 2v32B1 GLY 150 HA2 0.14 -0.01 0.43 -0.51 4.01 4.06 2v32B1 GLY 150 HA3 0.11 0.01 0.31 -0.51 4.01 3.92 2v32B1 ARG 151 H 0.10 0.03 0.11 -0.55 8.46 8.14 2v32B1 ARG 151 HA 0.10 0.21 0.42 -0.75 4.34 4.31 2v32B1 ARG 151 HB2 -0.40 -0.03 0.01 -0.04 1.90 1.44 2v32B1 ARG 151 HB3 -0.75 -0.06 -0.05 -0.04 1.80 0.89 2v32B1 ARG 151 HG2 -0.85 -0.00 -0.05 -0.04 1.67 0.73 2v32B1 ARG 151 HG3 -0.16 0.08 -0.05 -0.04 1.67 1.50 2v32B1 ARG 151 HD2 -0.47 -0.03 -0.14 -0.04 3.22 2.54 2v32B1 ARG 151 HD3 -0.26 0.18 -0.23 -0.04 3.22 2.87 2v32B1 ASN 152 H -0.21 0.23 0.05 -0.55 8.53 8.05 2v32B1 ASN 152 HA 0.00 0.16 0.79 -0.75 4.76 4.96 2v32B1 ASN 152 HB2 0.03 0.15 0.02 -0.04 2.88 3.04 2v32B1 ASN 152 HB3 -0.01 0.03 0.20 -0.04 2.79 2.96 2v32B1 ASN 152 HD21 0.01 0.04 0.01 -0.04 7.03 7.05 2v32B1 ASN 152 HD22 0.02 0.09 0.02 -0.04 7.74 7.83 2v32B1 PHE 153 H 0.14 0.29 -0.02 -0.55 8.34 8.20 2v32B1 PHE 153 HA -0.01 0.11 0.57 -0.75 4.62 4.53 2v32B1 PHE 153 HB2 0.00 0.06 -0.01 -0.04 3.15 3.16 2v32B1 PHE 153 HB3 0.07 0.07 0.01 -0.04 3.06 3.17 2v32B1 PHE 153 HD2 -0.03 0.02 -0.08 -0.04 7.28 7.14 2v32B1 PHE 153 HE2 -0.34 -0.01 -0.10 -0.04 7.38 6.89 2v32B1 PHE 153 HZ -0.32 0.03 -0.12 -0.04 7.32 6.87 2v32B1 SER 154 H 0.05 0.07 -0.21 -0.55 8.46 7.82 2v32B1 SER 154 HA -0.02 0.17 0.59 -0.75 4.49 4.48 2v32B1 SER 154 HB2 0.00 -0.05 0.06 -0.04 3.95 3.92 2v32B1 SER 154 HB3 -0.02 0.09 -0.00 -0.04 3.93 3.95 2v32B1 GLU 155 H -0.02 0.09 -0.18 -0.55 8.60 7.94 2v32B1 GLU 155 HA -0.00 0.08 0.39 -0.75 4.29 4.01 2v32B1 GLU 155 HB2 -0.00 -0.01 0.09 -0.04 2.09 2.12 2v32B1 GLU 155 HB3 -0.05 0.15 0.11 -0.04 1.99 2.16 2v32B1 GLU 155 HG2 0.00 0.01 -0.04 -0.04 2.34 2.28 2v32B1 GLU 155 HG3 -0.01 0.00 -0.25 -0.04 2.34 2.04 2v32B1 ILE 156 H -0.05 0.17 -0.34 -0.55 8.25 7.48 2v32B1 ILE 156 HA -0.00 0.04 0.35 -0.75 4.18 3.81 2v32B1 ILE 156 HB 0.18 0.07 0.07 -0.04 1.89 2.18 2v32B1 ILE 156 HG12 -0.11 0.02 -0.07 -0.04 1.49 1.29 2v32B1 ILE 156 HG13 -0.18 -0.03 -0.04 -0.04 1.21 0.91 2v32B1 ILE 156 HG23 0.23 0.01 -0.17 -0.04 0.93 0.96 2v32B1 ILE 156 HD13 -0.63 -0.01 -0.11 -0.04 0.88 0.09 2v32B1 LEU 157 H -0.02 0.41 -0.22 -0.55 8.37 7.99 2v32B1 LEU 157 HA -0.16 0.03 0.41 -0.75 4.35 3.87 2v32B1 LEU 157 HB2 -0.12 0.09 0.21 -0.04 1.64 1.78 2v32B1 LEU 157 HB3 -0.18 -0.01 -0.03 -0.04 1.64 1.38 2v32B1 LEU 157 HG -0.41 0.06 0.06 -0.04 1.64 1.31 2v32B1 LEU 157 HD13 -0.23 -0.03 -0.01 -0.04 0.93 0.62 2v32B1 LEU 157 HD23 -0.78 -0.00 -0.11 -0.04 0.89 -0.05 2v32B1 ARG 158 H -0.03 0.61 -0.10 -0.55 8.46 8.39 2v32B1 ARG 158 HA 0.01 0.02 0.43 -0.75 4.34 4.04 2v32B1 ARG 158 HB2 -0.02 -0.02 0.08 -0.04 1.90 1.90 2v32B1 ARG 158 HB3 0.04 0.02 0.16 -0.04 1.80 1.98 2v32B1 ARG 158 HG2 0.24 -0.03 -0.16 -0.04 1.67 1.68 2v32B1 ARG 158 HG3 -0.03 -0.01 0.09 -0.04 1.67 1.68 2v32B1 ARG 158 HD2 0.05 0.25 -0.10 -0.04 3.22 3.38 2v32B1 ARG 158 HD3 0.01 -0.11 -0.05 -0.04 3.22 3.03 2v32B1 VAL 159 H 0.04 0.62 -0.06 -0.55 8.24 8.29 2v32B1 VAL 159 HA 0.09 0.02 0.43 -0.75 4.13 3.91 2v32B1 VAL 159 HB 0.04 -0.04 0.06 -0.04 2.12 2.14 2v32B1 VAL 159 HG13 0.05 0.01 0.03 -0.04 0.97 1.02 2v32B1 VAL 159 HG23 0.03 0.05 0.03 -0.04 0.95 1.01 2v32B1 ILE 160 H -0.00 0.47 -0.28 -0.55 8.25 7.89 2v32B1 ILE 160 HA -0.12 -0.02 0.40 -0.75 4.18 3.68 2v32B1 ILE 160 HB -0.08 0.13 0.14 -0.04 1.89 2.04 2v32B1 ILE 160 HG12 0.01 -0.04 -0.06 -0.04 1.49 1.36 2v32B1 ILE 160 HG13 0.04 0.01 -0.03 -0.04 1.21 1.20 2v32B1 ILE 160 HG23 -0.28 -0.00 -0.19 -0.04 0.93 0.41 2v32B1 ILE 160 HD13 0.17 -0.02 -0.19 -0.04 0.88 0.81 2v32B1 ASP 161 H 0.00 0.55 -0.08 -0.55 8.40 8.32 2v32B1 ASP 161 HA -0.02 0.02 0.47 -0.75 4.63 4.34 2v32B1 ASP 161 HB2 0.21 0.20 0.21 -0.04 2.71 3.29 2v32B1 ASP 161 HB3 0.30 -0.08 0.05 -0.04 2.70 2.92 2v32B1 SER 162 H 0.15 0.43 -0.21 -0.55 8.46 8.29 2v32B1 SER 162 HA -0.46 0.02 0.44 -0.75 4.49 3.74 2v32B1 SER 162 HB2 -0.26 0.01 0.07 -0.04 3.95 3.73 2v32B1 SER 162 HB3 -0.05 0.10 0.19 -0.04 3.93 4.14 2v32B1 LEU 163 H -0.07 0.64 0.01 -0.55 8.37 8.40 2v32B1 LEU 163 HA 0.01 -0.02 0.33 -0.75 4.35 3.92 2v32B1 LEU 163 HB2 -0.23 0.09 0.14 -0.04 1.64 1.60 2v32B1 LEU 163 HB3 0.22 -0.06 -0.01 -0.04 1.64 1.76 2v32B1 LEU 163 HG 0.03 0.18 0.09 -0.04 1.64 1.90 2v32B1 LEU 163 HD13 0.19 -0.04 -0.13 -0.04 0.93 0.91 2v32B1 LEU 163 HD23 0.12 -0.01 -0.00 -0.04 0.89 0.95 2v32B1 GLN 164 H -0.26 0.64 -0.21 -0.55 8.47 8.10 2v32B1 GLN 164 HA -0.11 0.01 0.45 -0.75 4.36 3.95 2v32B1 GLN 164 HB2 -0.26 0.08 0.16 -0.04 2.15 2.09 2v32B1 GLN 164 HB3 -0.20 -0.03 0.04 -0.04 2.02 1.79 2v32B1 GLN 164 HG2 -1.23 -0.06 0.04 -0.04 2.40 1.10 2v32B1 GLN 164 HG3 -1.19 0.01 0.04 -0.04 2.39 1.21 2v32B1 GLN 164 HE21 -0.40 0.66 0.10 -0.04 6.97 7.28 2v32B1 GLN 164 HE22 -1.72 -0.15 0.01 -0.04 7.69 5.79 2v32B1 LEU 165 H -0.07 0.50 -0.08 -0.55 8.37 8.17 2v32B1 LEU 165 HA 0.00 0.02 0.55 -0.75 4.35 4.16 2v32B1 LEU 165 HB2 0.01 0.02 0.13 -0.04 1.64 1.77 2v32B1 LEU 165 HB3 -0.16 0.09 0.19 -0.04 1.64 1.72 2v32B1 LEU 165 HG -0.09 -0.01 -0.32 -0.04 1.64 1.18 2v32B1 LEU 165 HD13 0.05 -0.02 -0.01 -0.04 0.93 0.91 2v32B1 LEU 165 HD23 -0.10 -0.03 -0.08 -0.04 0.89 0.64 2v32B1 THR 166 H -0.08 0.71 0.02 -0.55 8.28 8.37 2v32B1 THR 166 HA -0.04 0.13 0.60 -0.75 4.39 4.33 2v32B1 THR 166 HB -0.05 0.03 0.23 -0.04 4.32 4.49 2v32B1 THR 166 HG23 -0.20 -0.01 0.03 -0.04 1.22 1.00 2v32B1 ALA 167 H 0.06 0.34 -0.36 -0.55 8.40 7.89 2v32B1 ALA 167 HA 0.08 0.05 0.77 -0.75 4.34 4.49 2v32B1 ALA 167 HB3 0.21 0.01 0.13 -0.04 1.41 1.72 2v32B1 GLN 168 H 0.04 0.34 -0.30 -0.55 8.47 8.01 2v32B1 GLN 168 HA 0.05 0.10 0.62 -0.75 4.36 4.38 2v32B1 GLN 168 HB2 0.04 0.13 0.18 -0.04 2.15 2.46 2v32B1 GLN 168 HB3 0.04 -0.09 0.04 -0.04 2.02 1.97 2v32B1 GLN 168 HG2 0.05 -0.07 0.02 -0.04 2.40 2.36 2v32B1 GLN 168 HG3 0.08 0.01 -0.07 -0.04 2.39 2.37 2v32B1 GLN 168 HE21 0.03 -0.08 -0.02 -0.04 6.97 6.86 2v32B1 GLN 168 HE22 0.06 0.14 0.05 -0.04 7.69 7.91 2v32B1 LYS 169 H 0.04 0.37 0.13 -0.55 8.42 8.40 2v32B1 LYS 169 HA 0.06 0.11 0.83 -0.75 4.32 4.57 2v32B1 LYS 169 HB2 0.06 0.09 0.03 -0.04 1.87 2.00 2v32B1 LYS 169 HB3 0.15 -0.06 -0.02 -0.04 1.79 1.82 2v32B1 LYS 169 HG2 0.05 -0.01 -0.16 -0.04 1.46 1.30 2v32B1 LYS 169 HG3 0.08 -0.00 -0.03 -0.04 1.46 1.46 2v32B1 LYS 169 HD2 0.07 -0.04 0.01 -0.04 1.69 1.68 2v32B1 LYS 169 HD3 0.04 0.13 -0.03 -0.04 1.68 1.78 2v32B1 LYS 169 HE2 0.03 0.02 -0.07 -0.04 2.99 2.93 2v32B1 LYS 169 HE3 0.04 -0.04 -0.02 -0.04 2.99 2.94 2v32B1 LYS 170 H 0.18 0.13 0.07 -0.55 8.42 8.24 2v32B1 LYS 170 HA 0.07 0.24 0.63 -0.75 4.32 4.50 2v32B1 LYS 170 HB2 0.26 -0.03 0.18 -0.04 1.87 2.24 2v32B1 LYS 170 HB3 0.11 -0.04 0.13 -0.04 1.79 1.95 2v32B1 LYS 170 HG2 0.05 0.06 -0.06 -0.04 1.46 1.47 2v32B1 LYS 170 HG3 0.07 -0.01 -0.02 -0.04 1.46 1.46 2v32B1 LYS 170 HD2 0.02 -0.01 0.02 -0.04 1.69 1.68 2v32B1 LYS 170 HD3 0.06 -0.04 -0.01 -0.04 1.68 1.65 2v32B1 LYS 170 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.94 2v32B1 LYS 170 HE3 0.02 0.07 -0.03 -0.04 2.99 3.00 2v32B1 VAL 171 H 0.02 0.52 -0.19 -0.55 8.24 8.03 2v32B1 VAL 171 HA -0.13 0.14 0.91 -0.75 4.13 4.29 2v32B1 VAL 171 HB -0.16 0.04 -0.02 -0.04 2.12 1.94 2v32B1 VAL 171 HG13 -0.18 -0.03 -0.28 -0.04 0.97 0.45 2v32B1 VAL 171 HG23 -0.07 -0.01 -0.26 -0.04 0.95 0.56 2v32B1 ALA 172 H -0.14 0.67 0.28 -0.55 8.40 8.67 2v32B1 ALA 172 HA -0.17 0.15 0.63 -0.75 4.34 4.19 2v32B1 ALA 172 HB3 -0.09 0.00 -0.02 -0.04 1.41 1.26 2v32B1 THR 173 H -0.29 0.14 0.12 -0.55 8.28 7.70 2v32B1 THR 173 HA -0.47 0.15 0.51 -0.75 4.39 3.82 2v32B1 THR 173 HB -1.28 0.06 0.02 -0.04 4.32 3.08 2v32B1 THR 173 HG23 -1.38 0.00 -0.06 -0.04 1.22 -0.26 2v32B1 PRO 174 HA 0.00 0.05 0.41 -0.51 4.44 4.40 2v32B1 PRO 174 HB2 0.12 0.07 0.01 -0.04 2.28 2.44 2v32B1 PRO 174 HB3 0.07 -0.01 0.07 -0.04 2.02 2.11 2v32B1 PRO 174 HG2 0.26 0.02 -0.02 -0.04 2.03 2.24 2v32B1 PRO 174 HG3 0.19 0.12 -0.00 -0.04 2.03 2.30 2v32B1 PRO 174 HD2 -0.05 0.09 0.23 -0.04 3.68 3.92 2v32B1 PRO 174 HD3 -0.05 0.09 0.33 -0.04 3.65 3.98 2v32B1 ALA 175 H 0.06 0.08 0.12 -0.55 8.40 8.10 2v32B1 ALA 175 HA 0.07 0.02 0.50 -0.75 4.34 4.17 2v32B1 ALA 175 HB3 0.05 0.00 0.06 -0.04 1.41 1.48 2v32B1 ASP 176 H 0.09 0.09 0.16 -0.55 8.40 8.19 2v32B1 ASP 176 HA 0.08 -0.01 0.31 -0.75 4.63 4.25 2v32B1 ASP 176 HB2 0.06 0.18 -0.07 -0.04 2.71 2.84 2v32B1 ASP 176 HB3 0.03 -0.03 0.14 -0.04 2.70 2.81 2v32B1 TRP 177 H 0.30 0.35 -0.57 -0.55 7.97 7.50 2v32B1 TRP 177 HA 0.00 -0.00 0.40 -0.75 4.62 4.27 2v32B1 TRP 177 HB2 0.01 0.07 -0.03 -0.04 3.23 3.24 2v32B1 TRP 177 HB3 -0.00 -0.05 -0.04 -0.04 3.23 3.10 2v32B1 TRP 177 HD1 0.01 0.18 -0.16 -0.04 7.22 7.21 2v32B1 TRP 177 HE1 -0.00 0.17 -0.19 -0.04 10.20 10.14 2v32B1 TRP 177 HE3 -0.02 -0.03 -0.20 -0.04 7.59 7.30 2v32B1 TRP 177 HZ2 -0.02 -0.01 -0.12 -0.04 7.44 7.25 2v32B1 TRP 177 HZ3 -0.04 0.13 -0.07 -0.04 7.13 7.11 2v32B1 TRP 177 HH2 -0.04 0.02 -0.25 -0.04 7.19 6.87 2v32B1 GLN 178 H -0.54 0.17 0.19 -0.55 8.47 7.73 2v32B1 GLN 178 HA -0.70 0.19 0.89 -0.75 4.36 3.98 2v32B1 GLN 178 HB2 -0.35 -0.03 0.04 -0.04 2.15 1.77 2v32B1 GLN 178 HB3 -0.35 0.03 0.03 -0.04 2.02 1.69 2v32B1 GLN 178 HG2 -0.16 0.13 -0.18 -0.04 2.40 2.14 2v32B1 GLN 178 HG3 -0.15 -0.05 -0.02 -0.04 2.39 2.12 2v32B1 GLN 178 HE21 -0.06 -0.10 -0.08 -0.04 6.97 6.69 2v32B1 GLN 178 HE22 -0.06 0.06 -0.14 -0.04 7.69 7.51 2v32B1 PRO 179 HA -0.68 0.03 0.32 -0.51 4.44 3.61 2v32B1 PRO 179 HB2 -0.24 0.01 0.05 -0.04 2.28 2.05 2v32B1 PRO 179 HB3 -0.14 0.06 0.08 -0.04 2.02 1.98 2v32B1 PRO 179 HG2 -0.21 0.03 0.06 -0.04 2.03 1.87 2v32B1 PRO 179 HG3 -0.26 0.07 0.07 -0.04 2.03 1.87 2v32B1 PRO 179 HD2 -0.42 0.06 0.17 -0.04 3.68 3.45 2v32B1 PRO 179 HD3 -0.68 0.16 0.19 -0.04 3.65 3.27 2v32B1 GLY 180 H -0.00 0.15 0.14 -0.55 8.43 8.17 2v32B1 GLY 180 HA2 -0.01 -0.00 0.38 -0.51 4.01 3.87 2v32B1 GLY 180 HA3 -0.10 0.12 0.66 -0.51 4.01 4.19 2v32B1 ASP 181 H -0.35 0.61 -0.20 -0.55 8.40 7.93 2v32B1 ASP 181 HA -0.02 0.01 0.57 -0.75 4.63 4.44 2v32B1 ASP 181 HB2 -0.36 0.04 0.08 -0.04 2.71 2.44 2v32B1 ASP 181 HB3 0.11 0.06 0.03 -0.04 2.70 2.87 2v32B1 ARG 182 H 0.08 0.03 0.14 -0.55 8.46 8.16 2v32B1 ARG 182 HA 0.13 0.02 0.49 -0.75 4.34 4.22 2v32B1 ARG 182 HB2 0.10 0.11 -0.09 -0.04 1.90 1.98 2v32B1 ARG 182 HB3 0.04 -0.06 0.05 -0.04 1.80 1.79 2v32B1 ARG 182 HG2 0.05 -0.08 0.07 -0.04 1.67 1.67 2v32B1 ARG 182 HG3 0.21 0.04 -0.15 -0.04 1.67 1.74 2v32B1 ARG 182 HD2 -0.24 0.01 -0.08 -0.04 3.22 2.87 2v32B1 ARG 182 HD3 -0.14 -0.01 -0.03 -0.04 3.22 3.00 2v32B1 CYS 183 H 0.09 0.48 0.21 -0.55 8.50 8.73 2v32B1 CYS 183 HA 0.01 0.12 0.79 -0.75 4.58 4.75 2v32B1 CYS 183 HB2 -0.07 0.02 -0.05 -0.04 2.97 2.82 2v32B1 CYS 183 HB3 -0.16 0.04 0.02 -0.04 2.97 2.82 2v32B1 MET 184 H -0.11 0.54 0.30 -0.55 8.47 8.65 2v32B1 MET 184 HA -0.16 0.24 1.08 -0.75 4.52 4.93 2v32B1 MET 184 HB2 -0.12 -0.07 0.04 -0.04 2.15 1.97 2v32B1 MET 184 HB3 -0.15 0.08 0.04 -0.04 2.03 1.96 2v32B1 MET 184 HG2 -0.07 0.04 -0.01 -0.04 2.63 2.55 2v32B1 MET 184 HG3 -0.11 -0.07 -0.04 -0.04 2.56 2.31 2v32B1 MET 184 HE3 -0.74 -0.01 -0.20 -0.04 2.10 1.11 2v32B1 VAL 185 H -0.20 0.74 0.27 -0.55 8.24 8.50 2v32B1 VAL 185 HA -0.33 0.11 0.72 -0.75 4.13 3.87 2v32B1 VAL 185 HB -0.14 -0.03 0.04 -0.04 2.12 1.96 2v32B1 VAL 185 HG13 -0.00 0.05 -0.07 -0.04 0.97 0.91 2v32B1 VAL 185 HG23 -0.68 -0.00 -0.14 -0.04 0.95 0.08 2v32B1 VAL 186 H -0.06 0.40 0.16 -0.55 8.24 8.20 2v32B1 VAL 186 HA -0.04 0.11 0.44 -0.75 4.13 3.88 2v32B1 VAL 186 HB -0.01 -0.08 0.01 -0.04 2.12 2.00 2v32B1 VAL 186 HG13 -0.03 0.01 -0.25 -0.04 0.97 0.66 2v32B1 VAL 186 HG23 0.03 0.05 -0.07 -0.04 0.95 0.92 2v32B1 PRO 187 HA 0.02 0.14 0.35 -0.51 4.44 4.44 2v32B1 PRO 187 HB2 -0.01 -0.01 0.02 -0.04 2.28 2.24 2v32B1 PRO 187 HB3 0.00 -0.01 0.10 -0.04 2.02 2.07 2v32B1 PRO 187 HG2 -0.03 0.01 0.08 -0.04 2.03 2.04 2v32B1 PRO 187 HG3 -0.01 0.09 0.12 -0.04 2.03 2.18 2v32B1 PRO 187 HD2 -0.02 0.05 0.17 -0.04 3.68 3.84 2v32B1 PRO 187 HD3 -0.02 0.19 0.23 -0.04 3.65 4.00 2v32B1 GLY 188 H 0.01 0.08 -0.30 -0.55 8.43 7.67 2v32B1 GLY 188 HA2 0.02 0.02 0.30 -0.51 4.01 3.84 2v32B1 GLY 188 HA3 0.02 -0.01 0.25 -0.51 4.01 3.75 2v32B1 VAL 189 H 0.04 0.53 -0.58 -0.55 8.24 7.69 2v32B1 VAL 189 HA 0.05 0.02 0.82 -0.75 4.13 4.27 2v32B1 VAL 189 HB 0.12 0.16 0.06 -0.04 2.12 2.41 2v32B1 VAL 189 HG13 0.18 -0.00 -0.13 -0.04 0.97 0.98 2v32B1 VAL 189 HG23 0.15 -0.01 -0.03 -0.04 0.95 1.02 2v32B1 SER 190 H 0.04 0.05 0.16 -0.55 8.46 8.16 2v32B1 SER 190 HA 0.03 0.24 0.51 -0.75 4.49 4.52 2v32B1 SER 190 HB2 0.02 -0.07 0.17 -0.04 3.95 4.03 2v32B1 SER 190 HB3 0.02 0.15 0.09 -0.04 3.93 4.14 2v32B1 ALA 191 H 0.03 0.18 0.17 -0.55 8.40 8.23 2v32B1 ALA 191 HA 0.04 0.18 0.44 -0.75 4.34 4.24 2v32B1 ALA 191 HB3 0.02 0.03 0.09 -0.04 1.41 1.51 2v32B1 GLU 192 H 0.02 0.05 -0.12 -0.55 8.60 8.00 2v32B1 GLU 192 HA 0.01 0.11 0.35 -0.75 4.29 4.01 2v32B1 GLU 192 HB2 0.01 0.01 0.10 -0.04 2.09 2.17 2v32B1 GLU 192 HB3 0.01 -0.06 0.07 -0.04 1.99 1.97 2v32B1 GLU 192 HG2 0.00 0.02 -0.03 -0.04 2.34 2.29 2v32B1 GLU 192 HG3 0.00 0.04 -0.13 -0.04 2.34 2.21 2v32B1 GLU 193 H 0.02 0.02 -0.22 -0.55 8.60 7.87 2v32B1 GLU 193 HA -0.02 0.09 0.47 -0.75 4.29 4.08 2v32B1 GLU 193 HB2 0.00 -0.02 0.12 -0.04 2.09 2.14 2v32B1 GLU 193 HB3 0.02 -0.00 0.13 -0.04 1.99 2.09 2v32B1 GLU 193 HG2 -0.05 0.02 -0.09 -0.04 2.34 2.18 2v32B1 GLU 193 HG3 -0.04 0.00 0.08 -0.04 2.34 2.34 2v32B1 ALA 194 H 0.05 0.53 -0.28 -0.55 8.40 8.16 2v32B1 ALA 194 HA 0.11 -0.06 0.37 -0.75 4.34 4.01 2v32B1 ALA 194 HB3 0.14 0.05 0.02 -0.04 1.41 1.57 2v32B1 LYS 195 H 0.03 0.45 -0.27 -0.55 8.42 8.08 2v32B1 LYS 195 HA 0.03 0.07 0.34 -0.75 4.32 4.01 2v32B1 LYS 195 HB2 0.01 0.20 0.14 -0.04 1.87 2.19 2v32B1 LYS 195 HB3 0.00 -0.03 -0.11 -0.04 1.79 1.61 2v32B1 LYS 195 HG2 0.02 0.01 0.04 -0.04 1.46 1.49 2v32B1 LYS 195 HG3 0.02 -0.02 -0.01 -0.04 1.46 1.41 2v32B1 LYS 195 HD2 0.01 0.00 -0.00 -0.04 1.69 1.65 2v32B1 LYS 195 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.63 2v32B1 LYS 195 HE2 0.01 -0.03 -0.01 -0.04 2.99 2.91 2v32B1 LYS 195 HE3 0.01 0.01 -0.02 -0.04 2.99 2.95 2v32B1 THR 196 H -0.03 0.23 -0.39 -0.55 8.28 7.54 2v32B1 THR 196 HA -0.03 0.15 0.77 -0.75 4.39 4.52 2v32B1 THR 196 HB -0.03 -0.00 0.09 -0.04 4.32 4.34 2v32B1 THR 196 HG23 -0.07 0.00 -0.04 -0.04 1.22 1.06 2v32B1 LEU 197 H -0.15 0.56 0.16 -0.55 8.37 8.40 2v32B1 LEU 197 HA -0.31 0.04 0.35 -0.75 4.35 3.68 2v32B1 LEU 197 HB2 -0.28 0.03 0.12 -0.04 1.64 1.47 2v32B1 LEU 197 HB3 -0.78 -0.02 0.03 -0.04 1.64 0.82 2v32B1 LEU 197 HG -0.97 0.00 0.00 -0.04 1.64 0.64 2v32B1 LEU 197 HD13 -0.20 -0.00 0.04 -0.04 0.93 0.72 2v32B1 LEU 197 HD23 -0.18 -0.02 -0.01 -0.04 0.89 0.64 2v32B1 PHE 198 H -0.07 0.43 -0.10 -0.55 8.34 8.04 2v32B1 PHE 198 HA 0.02 0.21 0.96 -0.75 4.62 5.05 2v32B1 PHE 198 HB2 0.01 -0.00 0.16 -0.04 3.15 3.29 2v32B1 PHE 198 HB3 0.02 -0.05 0.05 -0.04 3.06 3.03 2v32B1 PHE 198 HD2 0.01 0.02 -0.07 -0.04 7.28 7.20 2v32B1 PHE 198 HE2 0.00 -0.01 -0.08 -0.04 7.38 7.26 2v32B1 PHE 198 HZ -0.00 -0.11 -0.15 -0.04 7.32 7.01 2v32B1 PRO 199 HA 0.05 0.16 0.24 -0.51 4.44 4.38 2v32B1 PRO 199 HB2 0.03 -0.04 -0.05 -0.04 2.28 2.18 2v32B1 PRO 199 HB3 0.02 0.09 0.09 -0.04 2.02 2.18 2v32B1 PRO 199 HG2 0.05 -0.05 0.02 -0.04 2.03 2.01 2v32B1 PRO 199 HG3 0.02 0.04 0.03 -0.04 2.03 2.08 2v32B1 PRO 199 HD2 0.07 0.10 0.08 -0.04 3.68 3.89 2v32B1 PRO 199 HD3 -0.01 0.35 -0.30 -0.04 3.65 3.65 2v32B1 ASN 200 H 0.10 0.07 -0.36 -0.55 8.53 7.80 2v32B1 ASN 200 HA 0.05 0.23 0.90 -0.75 4.76 5.18 2v32B1 ASN 200 HB2 0.07 -0.01 0.03 -0.04 2.88 2.93 2v32B1 ASN 200 HB3 0.04 -0.02 0.15 -0.04 2.79 2.92 2v32B1 ASN 200 HD21 0.04 -0.01 -0.04 -0.04 7.03 6.97 2v32B1 ASN 200 HD22 0.06 0.03 -0.02 -0.04 7.74 7.76 2v32B1 MET 201 H 0.11 0.53 -0.28 -0.55 8.47 8.29 2v32B1 MET 201 HA 0.05 0.15 0.47 -0.75 4.52 4.43 2v32B1 MET 201 HB2 0.15 0.04 0.11 -0.04 2.15 2.41 2v32B1 MET 201 HB3 0.09 -0.02 0.02 -0.04 2.03 2.07 2v32B1 MET 201 HG2 0.02 -0.06 -0.31 -0.04 2.63 2.25 2v32B1 MET 201 HG3 -0.03 0.04 -0.17 -0.04 2.56 2.36 2v32B1 MET 201 HE3 0.05 -0.02 -0.15 -0.04 2.10 1.95 2v32B1 GLU 202 H 0.07 0.66 0.37 -0.55 8.60 9.15 2v32B1 GLU 202 HA 0.04 0.16 0.97 -0.75 4.29 4.71 2v32B1 GLU 202 HB2 0.05 0.11 -0.00 -0.04 2.09 2.20 2v32B1 GLU 202 HB3 0.13 -0.08 0.13 -0.04 1.99 2.12 2v32B1 GLU 202 HG2 0.05 0.04 -0.11 -0.04 2.34 2.28 2v32B1 GLU 202 HG3 0.02 -0.01 -0.02 -0.04 2.34 2.30 2v32B1 VAL 203 H 0.03 0.18 0.10 -0.55 8.24 8.01 2v32B1 VAL 203 HA -0.01 0.25 0.83 -0.75 4.13 4.45 2v32B1 VAL 203 HB -0.00 -0.04 0.07 -0.04 2.12 2.10 2v32B1 VAL 203 HG13 -0.05 0.01 -0.18 -0.04 0.97 0.71 2v32B1 VAL 203 HG23 0.00 0.01 -0.15 -0.04 0.95 0.77 2v32B1 LYS 204 H -0.03 0.63 0.27 -0.55 8.42 8.73 2v32B1 LYS 204 HA 0.03 0.05 0.73 -0.75 4.32 4.37 2v32B1 LYS 204 HB2 0.22 0.02 0.02 -0.04 1.87 2.10 2v32B1 LYS 204 HB3 0.03 -0.02 0.13 -0.04 1.79 1.89 2v32B1 LYS 204 HG2 0.03 -0.01 0.04 -0.04 1.46 1.48 2v32B1 LYS 204 HG3 0.11 -0.03 -0.00 -0.04 1.46 1.49 2v32B1 LYS 204 HD2 0.06 -0.06 -0.06 -0.04 1.69 1.59 2v32B1 LYS 204 HD3 0.01 0.19 -0.16 -0.04 1.68 1.68 2v32B1 LYS 204 HE2 0.11 -0.01 -0.02 -0.04 2.99 3.02 2v32B1 LYS 204 HE3 0.06 -0.05 -0.02 -0.04 2.99 2.94 2v32B1 ALA 205 H -0.01 0.12 0.16 -0.55 8.40 8.12 2v32B1 ALA 205 HA -0.05 0.05 0.40 -0.75 4.34 3.98 2v32B1 ALA 205 HB3 -0.01 0.01 0.07 -0.04 1.41 1.43 2v32B1 VAL 206 H -0.07 0.20 0.26 -0.55 8.24 8.08 2v32B1 VAL 206 HA -0.03 0.23 0.77 -0.75 4.13 4.35 2v32B1 VAL 206 HB -0.03 -0.04 0.11 -0.04 2.12 2.13 2v32B1 VAL 206 HG13 -0.16 0.07 -0.12 -0.04 0.97 0.72 2v32B1 VAL 206 HG23 -0.17 -0.03 0.05 -0.04 0.95 0.76 2v32B1 PRO 207 HA 0.01 0.10 0.35 -0.51 4.44 4.38 2v32B1 PRO 207 HB2 0.02 0.01 0.04 -0.04 2.28 2.31 2v32B1 PRO 207 HB3 0.01 0.05 0.09 -0.04 2.02 2.14 2v32B1 PRO 207 HG2 0.02 0.06 0.09 -0.04 2.03 2.16 2v32B1 PRO 207 HG3 0.01 0.07 0.09 -0.04 2.03 2.16 2v32B1 PRO 207 HD2 0.01 0.10 0.22 -0.04 3.68 3.97 2v32B1 PRO 207 HD3 0.00 0.21 0.21 -0.04 3.65 4.03 2v32B1 SER 208 H 0.04 0.06 -0.24 -0.55 8.46 7.77 2v32B1 SER 208 HA 0.03 0.14 0.59 -0.75 4.49 4.49 2v32B1 SER 208 HB2 0.07 0.04 0.10 -0.04 3.95 4.12 2v32B1 SER 208 HB3 0.08 0.00 0.08 -0.04 3.93 4.05 2v32B1 GLY 209 H 0.00 0.59 -0.15 -0.55 8.43 8.33 2v32B1 GLY 209 HA2 -0.01 0.03 0.32 -0.51 4.01 3.85 2v32B1 GLY 209 HA3 0.01 0.06 0.32 -0.51 4.01 3.89 2v32B1 LYS 210 H 0.05 -0.05 -0.34 -0.55 8.42 7.52 2v32B1 LYS 210 HA 0.05 0.14 0.56 -0.75 4.32 4.32 2v32B1 LYS 210 HB2 0.30 -0.07 0.00 -0.04 1.87 2.06 2v32B1 LYS 210 HB3 0.26 -0.02 0.02 -0.04 1.79 2.01 2v32B1 LYS 210 HG2 0.08 0.04 -0.01 -0.04 1.46 1.53 2v32B1 LYS 210 HG3 0.09 0.11 -0.10 -0.04 1.46 1.51 2v32B1 LYS 210 HD2 0.16 -0.04 -0.02 -0.04 1.69 1.74 2v32B1 LYS 210 HD3 0.06 0.02 -0.01 -0.04 1.68 1.70 2v32B1 LYS 210 HE2 0.06 0.02 -0.01 -0.04 2.99 3.02 2v32B1 LYS 210 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.95 2v32B1 GLY 211 H 0.05 0.17 0.05 -0.55 8.43 8.15 2v32B1 GLY 211 HA2 -0.11 0.24 0.77 -0.51 4.01 4.41 2v32B1 GLY 211 HA3 -0.02 0.05 0.29 -0.51 4.01 3.82 2v32B1 TYR 212 H -0.22 0.14 -0.29 -0.55 8.29 7.37 2v32B1 TYR 212 HA -0.04 0.21 0.46 -0.75 4.56 4.44 2v32B1 TYR 212 HB2 -0.04 0.05 0.07 -0.04 3.06 3.10 2v32B1 TYR 212 HB3 -0.03 -0.04 0.01 -0.04 2.98 2.88 2v32B1 TYR 212 HD2 -0.04 -0.02 -0.21 -0.04 7.15 6.83 2v32B1 TYR 212 HE2 -0.03 -0.03 -0.05 -0.04 6.85 6.70 2v32B1 LEU 213 H -0.48 0.08 -0.22 -0.55 8.37 7.21 2v32B1 LEU 213 HA -0.21 0.11 0.56 -0.75 4.35 4.06 2v32B1 LEU 213 HB2 -0.60 -0.07 0.08 -0.04 1.64 1.01 2v32B1 LEU 213 HB3 -0.27 0.10 0.26 -0.04 1.64 1.70 2v32B1 LEU 213 HG -0.29 0.00 -0.05 -0.04 1.64 1.26 2v32B1 LEU 213 HD13 -0.16 0.01 -0.03 -0.04 0.93 0.71 2v32B1 LEU 213 HD23 -0.08 -0.00 -0.04 -0.04 0.89 0.74 2v32B1 ARG 214 H -0.20 0.38 0.17 -0.55 8.46 8.25 2v32B1 ARG 214 HA -0.10 0.33 0.88 -0.75 4.34 4.70 2v32B1 ARG 214 HB2 -0.09 0.08 0.09 -0.04 1.90 1.94 2v32B1 ARG 214 HB3 -0.07 0.00 -0.11 -0.04 1.80 1.58 2v32B1 ARG 214 HG2 -0.05 -0.04 -0.33 -0.04 1.67 1.20 2v32B1 ARG 214 HG3 -0.06 -0.13 -0.56 -0.04 1.67 0.88 2v32B1 ARG 214 HD2 0.00 -0.05 -0.13 -0.04 3.22 3.00 2v32B1 ARG 214 HD3 -0.00 0.06 -0.03 -0.04 3.22 3.21 2v32B1 TYR 215 H 0.09 0.57 0.38 -0.55 8.29 8.79 2v32B1 TYR 215 HA -0.06 0.24 0.82 -0.75 4.56 4.81 2v32B1 TYR 215 HB2 -0.02 -0.03 0.14 -0.04 3.06 3.10 2v32B1 TYR 215 HB3 -0.02 0.02 -0.04 -0.04 2.98 2.90 2v32B1 TYR 215 HD2 -0.01 0.09 -0.07 -0.04 7.15 7.12 2v32B1 TYR 215 HE2 -0.01 -0.02 -0.07 -0.04 6.85 6.71 2v32B1 THR 216 H 0.03 0.84 0.34 -0.55 8.28 8.94 2v32B1 THR 216 HA 0.04 0.15 0.50 -0.75 4.39 4.32 2v32B1 THR 216 HB -0.16 -0.02 -0.13 -0.04 4.32 3.97 2v32B1 THR 216 HG23 -0.44 0.01 -0.24 -0.04 1.22 0.51 2v32B1 PRO 217 HA 0.06 0.01 0.53 -0.51 4.44 4.53 2v32B1 PRO 217 HB2 0.07 0.03 -0.09 -0.04 2.28 2.25 2v32B1 PRO 217 HB3 0.05 0.04 0.04 -0.04 2.02 2.12 2v32B1 PRO 217 HG2 0.05 0.02 0.02 -0.04 2.03 2.08 2v32B1 PRO 217 HG3 0.04 0.03 0.04 -0.04 2.03 2.09 2v32B1 PRO 217 HD2 0.07 0.05 0.05 -0.04 3.68 3.81 2v32B1 PRO 217 HD3 0.05 0.20 -0.00 -0.04 3.65 3.86 2v32B1 GLN 218 H 0.10 0.13 -0.00 -0.55 8.47 8.16 2v32B1 GLN 218 HA 0.11 0.08 0.36 -0.75 4.36 4.15 2v32B1 GLN 218 HB2 0.26 0.21 -0.00 -0.04 2.15 2.58 2v32B1 GLN 218 HB3 0.13 -0.07 0.07 -0.04 2.02 2.11 2v32B1 GLN 218 HG2 0.14 0.15 -0.31 -0.04 2.40 2.33 2v32B1 GLN 218 HG3 0.17 0.03 -0.05 -0.04 2.39 2.49 2v32B1 GLN 218 HE21 0.31 -0.07 -0.01 -0.04 6.97 7.16 2v32B1 GLN 218 HE22 0.18 0.13 -0.06 -0.04 7.69 7.90 2v32B1 PRO 219 HA 0.11 0.11 0.14 -0.51 4.44 4.29 2v32B1 PRO 219 HB2 0.09 0.02 0.02 -0.04 2.28 2.37 2v32B1 PRO 219 HB3 0.14 0.05 0.04 -0.04 2.02 2.20 2v32B1 PRO 219 HG2 0.13 -0.02 -0.05 -0.04 2.03 2.06 2v32B1 PRO 219 HG3 0.28 0.07 -0.03 -0.04 2.03 2.31 2v32B1 PRO 219 HD2 0.07 0.04 0.07 -0.04 3.68 3.83 2v32B1 PRO 219 HD3 0.07 0.23 0.13 -0.04 3.65 4.04