============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 31 0.840 24.864 -32.911 97.123 -99.200 -91.000 TYR 33 0.840 30.050 -30.817 89.947 -99.200 -91.000 TRP 36 1.040 39.157 -28.095 96.307 -99.200 -91.000 TRP6 36 1.020 39.311 -27.523 98.580 -99.200 -91.000 TYR 37 0.840 34.813 -21.933 92.805 -99.200 -91.000 HIS 40 0.900 46.925 -14.890 92.870 -99.200 -91.000 TYR 50 0.840 36.137 -29.567 85.693 -99.200 -91.000 PHE 63 1.000 47.017 -25.256 92.109 -99.200 -91.000 TYR 87 0.840 44.592 -21.829 96.889 -99.200 -91.000 TYR 88 0.840 37.173 -18.491 99.351 -99.200 -91.000 TYR 92 0.840 24.224 -29.425 92.538 -99.200 -91.000 PHE 98 1.000 28.314 -24.993 93.549 -99.200 -91.000 PHE 100 1.000 31.722 -20.132 96.291 -99.200 -91.000 PHE 121 1.000 41.624 -8.609 127.663 -99.200 -91.000 PHE 142 1.000 47.248 -14.261 114.659 -99.200 -91.000 TYR 143 0.840 54.435 -16.752 109.102 -99.200 -91.000 TRP 151 1.040 33.074 -15.452 121.309 -99.200 -91.000 TRP6 151 1.020 33.934 -14.669 123.338 -99.200 -91.000 TYR 175 0.840 49.316 -10.799 109.581 -99.200 -91.000 TYR 180 0.840 32.382 -6.632 119.374 -99.200 -91.000 TRP 188 1.040 29.176 -11.557 133.157 -99.200 -91.000 TRP6 188 1.020 30.962 -12.924 132.461 -99.200 -91.000 HIS 191 0.900 24.452 -18.070 129.544 -99.200 -91.000 TYR 194 0.840 28.955 -16.291 128.309 -99.200 -91.000 HIS 200 0.900 48.009 -19.683 113.248 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2mcg11 SER 2 HA -0.01 0.05 0.09 -0.75 4.49 3.86 2mcg11 SER 2 HB2 -0.01 -0.12 0.12 -0.04 3.95 3.91 2mcg11 SER 2 HB3 -0.01 0.04 0.04 -0.04 3.93 3.95 2mcg11 ALA 3 H -0.01 0.10 0.03 -0.55 8.40 7.98 2mcg11 ALA 3 HA -0.00 -0.01 0.27 -0.75 4.34 3.85 2mcg11 ALA 3 HB3 -0.02 0.01 -0.04 -0.04 1.41 1.32 2mcg11 LEU 4 H -0.01 0.19 -0.25 -0.55 8.37 7.76 2mcg11 LEU 4 HA -0.02 0.31 0.88 -0.75 4.35 4.76 2mcg11 LEU 4 HB2 -0.05 -0.02 -0.03 -0.04 1.64 1.49 2mcg11 LEU 4 HB3 -0.05 -0.04 -0.11 -0.04 1.64 1.40 2mcg11 LEU 4 HG -0.13 0.03 -0.16 -0.04 1.64 1.34 2mcg11 LEU 4 HD13 -0.17 -0.02 -0.22 -0.04 0.93 0.48 2mcg11 LEU 4 HD23 -0.07 -0.02 -0.19 -0.04 0.89 0.57 2mcg11 THR 5 H 0.01 0.69 0.21 -0.55 8.28 8.64 2mcg11 THR 5 HA 0.03 0.04 0.56 -0.75 4.39 4.27 2mcg11 THR 5 HB 0.02 0.05 -0.08 -0.04 4.32 4.26 2mcg11 THR 5 HG23 0.03 -0.01 -0.15 -0.04 1.22 1.04 2mcg11 GLN 6 H 0.05 0.27 0.14 -0.55 8.47 8.38 2mcg11 GLN 6 HA 0.09 0.17 0.71 -0.75 4.36 4.57 2mcg11 GLN 6 HB2 0.07 -0.13 -0.10 -0.04 2.15 1.95 2mcg11 GLN 6 HB3 0.10 0.18 -0.24 -0.04 2.02 2.01 2mcg11 GLN 6 HG2 0.26 0.44 0.13 -0.04 2.40 3.19 2mcg11 GLN 6 HG3 0.09 -0.07 -0.33 -0.04 2.39 2.03 2mcg11 GLN 6 HE21 0.14 0.47 0.36 -0.04 6.97 7.89 2mcg11 GLN 6 HE22 0.18 0.11 -0.06 -0.04 7.69 7.88 2mcg11 PRO 7 HA 0.00 0.08 0.40 -0.51 4.44 4.41 2mcg11 PRO 7 HB2 -0.03 0.07 -0.11 -0.04 2.28 2.17 2mcg11 PRO 7 HB3 -0.02 0.02 0.05 -0.04 2.02 2.03 2mcg11 PRO 7 HG2 0.00 -0.05 0.12 -0.04 2.03 2.06 2mcg11 PRO 7 HG3 0.02 0.03 0.05 -0.04 2.03 2.08 2mcg11 PRO 7 HD2 0.08 0.15 0.14 -0.04 3.68 4.01 2mcg11 PRO 7 HD3 0.08 0.14 0.11 -0.04 3.65 3.94 2mcg11 PRO 8 HA -0.03 0.17 0.57 -0.51 4.44 4.64 2mcg11 PRO 8 HB2 -0.02 0.08 -0.08 -0.04 2.28 2.21 2mcg11 PRO 8 HB3 -0.01 0.05 -0.21 -0.04 2.02 1.80 2mcg11 PRO 8 HG2 0.01 -0.01 0.00 -0.04 2.03 1.99 2mcg11 PRO 8 HG3 0.01 0.02 -0.03 -0.04 2.03 1.99 2mcg11 PRO 8 HD2 0.00 -0.04 0.16 -0.04 3.68 3.76 2mcg11 PRO 8 HD3 0.01 0.40 0.12 -0.04 3.65 4.14 2mcg11 SER 9 H -0.07 -0.02 0.19 -0.55 8.46 8.00 2mcg11 SER 9 HA -0.12 0.19 0.56 -0.75 4.49 4.36 2mcg11 SER 9 HB2 -0.17 -0.06 -0.10 -0.04 3.95 3.57 2mcg11 SER 9 HB3 -0.21 0.21 -0.10 -0.04 3.93 3.79 2mcg11 ALA 10 H -0.12 0.78 0.33 -0.55 8.40 8.84 2mcg11 ALA 10 HA -0.13 0.08 0.85 -0.75 4.34 4.39 2mcg11 ALA 10 HB3 -0.12 -0.00 0.01 -0.04 1.41 1.26 2mcg11 SER 11 H -0.10 0.16 0.23 -0.55 8.46 8.20 2mcg11 SER 11 HA -0.08 0.22 0.83 -0.75 4.49 4.70 2mcg11 SER 11 HB2 -0.00 0.00 0.00 -0.04 3.95 3.91 2mcg11 SER 11 HB3 -0.09 0.02 0.01 -0.04 3.93 3.83 2mcg11 GLY 12 H -0.02 0.32 0.31 -0.55 8.43 8.51 2mcg11 GLY 12 HA2 -0.03 0.13 0.69 -0.51 4.01 4.29 2mcg11 GLY 12 HA3 -0.05 0.02 0.16 -0.51 4.01 3.63 2mcg11 SER 13 H -0.02 0.08 0.14 -0.55 8.46 8.11 2mcg11 SER 13 HA 0.01 0.18 0.33 -0.75 4.49 4.26 2mcg11 SER 13 HB2 -0.01 -0.03 -0.08 -0.04 3.95 3.79 2mcg11 SER 13 HB3 -0.00 0.11 0.02 -0.04 3.93 4.02 2mcg11 LEU 14 H -0.02 -0.18 -0.10 -0.55 8.37 7.53 2mcg11 LEU 14 HA -0.00 0.00 0.19 -0.75 4.35 3.78 2mcg11 LEU 14 HB2 0.01 0.07 0.22 -0.04 1.64 1.91 2mcg11 LEU 14 HB3 0.01 0.08 0.23 -0.04 1.64 1.91 2mcg11 LEU 14 HG 0.00 0.08 -0.27 -0.04 1.64 1.42 2mcg11 LEU 14 HD13 0.02 -0.03 -0.16 -0.04 0.93 0.72 2mcg11 LEU 14 HD23 0.01 -0.00 -0.03 -0.04 0.89 0.83 2mcg11 GLY 15 H -0.03 0.05 0.13 -0.55 8.43 8.03 2mcg11 GLY 15 HA2 -0.02 0.10 0.28 -0.51 4.01 3.86 2mcg11 GLY 15 HA3 -0.02 0.24 0.77 -0.51 4.01 4.49 2mcg11 GLN 16 H -0.03 -0.22 0.03 -0.55 8.47 7.71 2mcg11 GLN 16 HA -0.04 0.25 0.48 -0.75 4.36 4.29 2mcg11 GLN 16 HB2 -0.03 -0.12 0.09 -0.04 2.15 2.05 2mcg11 GLN 16 HB3 -0.04 0.13 0.18 -0.04 2.02 2.25 2mcg11 GLN 16 HG2 -0.03 0.07 -0.11 -0.04 2.40 2.29 2mcg11 GLN 16 HG3 -0.03 0.04 0.01 -0.04 2.39 2.37 2mcg11 GLN 16 HE21 -0.04 0.11 0.13 -0.04 6.97 7.12 2mcg11 GLN 16 HE22 -0.03 -0.01 0.09 -0.04 7.69 7.70 2mcg11 SER 17 H -0.06 0.20 0.24 -0.55 8.46 8.29 2mcg11 SER 17 HA -0.11 0.24 0.94 -0.75 4.49 4.80 2mcg11 SER 17 HB2 -0.10 0.11 0.24 -0.04 3.95 4.16 2mcg11 SER 17 HB3 -0.07 -0.12 0.18 -0.04 3.93 3.88 2mcg11 VAL 18 H -0.16 0.44 0.26 -0.55 8.24 8.23 2mcg11 VAL 18 HA -0.11 0.18 0.79 -0.75 4.13 4.24 2mcg11 VAL 18 HB -0.14 -0.10 -0.19 -0.04 2.12 1.65 2mcg11 VAL 18 HG13 -0.23 -0.00 -0.19 -0.04 0.97 0.51 2mcg11 VAL 18 HG23 -0.12 0.02 -0.04 -0.04 0.95 0.78 2mcg11 THR 19 H -0.14 0.34 0.21 -0.55 8.28 8.14 2mcg11 THR 19 HA -0.20 0.28 0.72 -0.75 4.39 4.44 2mcg11 THR 19 HB -0.08 -0.04 -0.08 -0.04 4.32 4.07 2mcg11 THR 19 HG23 -0.09 0.01 -0.16 -0.04 1.22 0.94 2mcg11 ILE 20 H -0.26 0.74 0.35 -0.55 8.25 8.53 2mcg11 ILE 20 HA -0.08 0.11 0.78 -0.75 4.18 4.24 2mcg11 ILE 20 HB -0.43 -0.04 0.05 -0.04 1.89 1.44 2mcg11 ILE 20 HG12 -0.43 -0.00 -0.12 -0.04 1.49 0.90 2mcg11 ILE 20 HG13 -0.21 0.01 -0.10 -0.04 1.21 0.86 2mcg11 ILE 20 HG23 0.12 0.08 0.00 -0.04 0.93 1.09 2mcg11 ILE 20 HD13 -0.24 -0.02 -0.49 -0.04 0.88 0.09 2mcg11 SER 21 H 0.07 0.11 0.15 -0.55 8.46 8.24 2mcg11 SER 21 HA 0.18 0.25 0.84 -0.75 4.49 5.00 2mcg11 SER 21 HB2 0.09 -0.04 0.04 -0.04 3.95 3.99 2mcg11 SER 21 HB3 0.05 -0.01 -0.05 -0.04 3.93 3.88 2mcg11 CYS 22 H 0.17 0.16 0.07 -0.55 8.50 8.35 2mcg11 CYS 22 HA 0.10 0.37 0.62 -0.75 4.58 4.91 2mcg11 CYS 22 HB2 0.16 0.13 -0.14 -0.04 2.97 3.09 2mcg11 CYS 22 HB3 0.10 -0.02 0.03 -0.04 2.97 3.04 2mcg11 THR 23 H 0.04 0.40 0.27 -0.55 8.28 8.44 2mcg11 THR 23 HA 0.03 0.36 1.15 -0.75 4.39 5.18 2mcg11 THR 23 HB 0.03 0.02 0.03 -0.04 4.32 4.36 2mcg11 THR 23 HG23 0.03 -0.06 -0.11 -0.04 1.22 1.04 2mcg11 GLY 24 H 0.02 0.28 0.23 -0.55 8.43 8.42 2mcg11 GLY 24 HA2 -0.00 0.20 0.53 -0.51 4.01 4.22 2mcg11 GLY 24 HA3 -0.01 -0.00 0.49 -0.51 4.01 3.98 2mcg11 THR 25 H -0.01 0.28 0.18 -0.55 8.28 8.19 2mcg11 THR 25 HA 0.01 0.17 1.06 -0.75 4.39 4.88 2mcg11 THR 25 HB 0.00 0.05 0.08 -0.04 4.32 4.41 2mcg11 THR 25 HG23 -0.01 0.02 0.05 -0.04 1.22 1.24 2mcg11 SER 26 H 0.02 0.22 0.06 -0.55 8.46 8.22 2mcg11 SER 26 HA 0.04 0.14 0.33 -0.75 4.49 4.24 2mcg11 SER 26 HB2 0.02 0.06 0.12 -0.04 3.95 4.12 2mcg11 SER 26 HB3 0.03 -0.10 0.11 -0.04 3.93 3.93 2mcg11 SER 27 H 0.04 0.12 -0.00 -0.55 8.46 8.07 2mcg11 SER 27 HA 0.07 0.06 0.39 -0.75 4.49 4.25 2mcg11 SER 27 HB2 0.05 0.03 0.17 -0.04 3.95 4.16 2mcg11 SER 27 HB3 0.05 0.04 0.15 -0.04 3.93 4.14 2mcg11 ASP 28 H 0.13 2.14 0.66 -0.55 8.40 10.78 2mcg11 ASP 28 HA 0.81 -0.01 0.10 -0.75 4.63 4.78 2mcg11 ASP 28 HB2 0.43 0.04 0.26 -0.04 2.71 3.40 2mcg11 ASP 28 HB3 0.06 0.09 0.18 -0.04 2.70 2.98 2mcg11 VAL 29 H 0.04 0.60 -0.08 -0.55 8.24 8.25 2mcg11 VAL 29 HA 0.01 0.00 0.26 -0.75 4.13 3.65 2mcg11 VAL 29 HB -0.01 0.10 0.07 -0.04 2.12 2.24 2mcg11 VAL 29 HG13 -0.04 0.01 0.18 -0.04 0.97 1.08 2mcg11 VAL 29 HG23 0.02 -0.10 -0.56 -0.04 0.95 0.28 2mcg11 GLY 30 H 0.12 0.14 0.21 -0.55 8.43 8.35 2mcg11 GLY 30 HA2 0.08 0.03 0.30 -0.51 4.01 3.91 2mcg11 GLY 30 HA3 0.06 0.13 0.45 -0.51 4.01 4.14 2mcg11 GLY 31 H 0.10 0.42 -0.96 -0.55 8.43 7.45 2mcg11 GLY 31 HA2 0.03 0.02 0.24 -0.51 4.01 3.78 2mcg11 GLY 31 HA3 0.07 -0.04 0.24 -0.51 4.01 3.77 2mcg11 TYR 32 H 0.24 0.63 -1.14 -0.55 8.29 7.48 2mcg11 TYR 32 HA 0.07 0.03 0.40 -0.75 4.56 4.30 2mcg11 TYR 32 HB2 0.04 0.05 -0.05 -0.04 3.06 3.06 2mcg11 TYR 32 HB3 0.08 -0.18 -0.01 -0.04 2.98 2.83 2mcg11 TYR 32 HD2 0.18 -0.16 0.13 -0.04 7.15 7.25 2mcg11 TYR 32 HE2 0.43 -0.00 -0.01 -0.04 6.85 7.23 2mcg11 ASN 33 H 0.03 0.96 -0.08 -0.55 8.53 8.89 2mcg11 ASN 33 HA -0.02 0.02 0.38 -0.75 4.76 4.39 2mcg11 ASN 33 HB2 -0.11 -0.01 -0.27 -0.04 2.88 2.44 2mcg11 ASN 33 HB3 -0.09 -0.05 0.05 -0.04 2.79 2.66 2mcg11 ASN 33 HD21 -0.04 -0.07 0.03 -0.04 7.03 6.91 2mcg11 ASN 33 HD22 -0.06 -0.06 0.02 -0.04 7.74 7.60 2mcg11 TYR 34 H 0.19 1.02 0.67 -0.55 8.29 9.63 2mcg11 TYR 34 HA 0.03 0.08 0.75 -0.75 4.56 4.67 2mcg11 TYR 34 HB2 0.07 0.10 0.16 -0.04 3.06 3.35 2mcg11 TYR 34 HB3 0.20 -0.19 0.15 -0.04 2.98 3.09 2mcg11 TYR 34 HD2 -0.03 -0.05 -0.01 -0.04 7.15 7.02 2mcg11 TYR 34 HE2 0.02 -0.05 0.02 -0.04 6.85 6.80 2mcg11 VAL 35 H 0.44 0.00 -0.04 -0.55 8.24 8.09 2mcg11 VAL 35 HA -0.05 0.57 0.63 -0.75 4.13 4.52 2mcg11 VAL 35 HB 0.02 0.08 0.31 -0.04 2.12 2.48 2mcg11 VAL 35 HG13 -0.29 -0.03 -0.14 -0.04 0.97 0.47 2mcg11 VAL 35 HG23 0.02 0.05 -0.11 -0.04 0.95 0.87 2mcg11 SER 36 H -0.02 0.39 0.33 -0.55 8.46 8.62 2mcg11 SER 36 HA 0.08 0.08 0.56 -0.75 4.49 4.46 2mcg11 SER 36 HB2 -0.07 0.24 0.18 -0.04 3.95 4.26 2mcg11 SER 36 HB3 0.26 -0.28 0.21 -0.04 3.93 4.07 2mcg11 TRP 37 H 0.25 0.23 0.22 -0.55 7.97 8.13 2mcg11 TRP 37 HA 0.19 0.39 0.82 -0.75 4.62 5.27 2mcg11 TRP 37 HB2 0.11 -0.09 -0.02 -0.04 3.23 3.18 2mcg11 TRP 37 HB3 0.21 0.02 -0.08 -0.04 3.23 3.35 2mcg11 TRP 37 HD1 0.06 -0.02 -0.17 -0.04 7.22 7.05 2mcg11 TRP 37 HE1 0.05 0.06 -0.26 -0.04 10.20 10.01 2mcg11 TRP 37 HE3 0.21 -0.01 -0.39 -0.04 7.59 7.36 2mcg11 TRP 37 HZ2 0.04 -0.01 -0.60 -0.04 7.44 6.84 2mcg11 TRP 37 HZ3 0.08 0.02 -0.23 -0.04 7.13 6.95 2mcg11 TRP 37 HH2 0.04 0.26 -0.55 -0.04 7.19 6.90 2mcg11 TYR 38 H 0.65 0.52 0.36 -0.55 8.29 9.27 2mcg11 TYR 38 HA 0.18 0.06 1.11 -0.75 4.56 5.17 2mcg11 TYR 38 HB2 0.34 -0.10 0.05 -0.04 3.06 3.31 2mcg11 TYR 38 HB3 0.17 0.35 0.15 -0.04 2.98 3.62 2mcg11 TYR 38 HD2 0.24 0.14 -0.17 -0.04 7.15 7.31 2mcg11 TYR 38 HE2 -0.00 -0.03 -0.11 -0.04 6.85 6.67 2mcg11 GLN 39 H 0.06 0.13 0.09 -0.55 8.47 8.21 2mcg11 GLN 39 HA -0.64 0.21 0.80 -0.75 4.36 3.97 2mcg11 GLN 39 HB2 -0.31 -0.03 -0.00 -0.04 2.15 1.76 2mcg11 GLN 39 HB3 -0.19 -0.07 0.07 -0.04 2.02 1.80 2mcg11 GLN 39 HG2 -0.21 -0.00 -0.25 -0.04 2.40 1.90 2mcg11 GLN 39 HG3 -0.90 0.09 -0.08 -0.04 2.39 1.46 2mcg11 GLN 39 HE21 -0.26 -0.00 -0.06 -0.04 6.97 6.61 2mcg11 GLN 39 HE22 -0.33 -0.06 -0.12 -0.04 7.69 7.15 2mcg11 GLN 40 H -0.13 0.97 0.28 -0.55 8.47 9.04 2mcg11 GLN 40 HA 0.07 0.09 0.52 -0.75 4.36 4.29 2mcg11 GLN 40 HB2 0.15 -0.04 -0.07 -0.04 2.15 2.14 2mcg11 GLN 40 HB3 0.27 -0.05 -0.00 -0.04 2.02 2.20 2mcg11 GLN 40 HG2 0.09 0.03 -0.36 -0.04 2.40 2.12 2mcg11 GLN 40 HG3 0.07 0.09 -0.27 -0.04 2.39 2.23 2mcg11 GLN 40 HE21 -0.06 -0.13 0.02 -0.04 6.97 6.76 2mcg11 GLN 40 HE22 0.01 0.58 0.07 -0.04 7.69 8.31 2mcg11 HIS 41 H 0.18 0.19 -0.05 -0.55 8.41 8.18 2mcg11 HIS 41 HA 0.01 0.07 0.61 -0.75 4.63 4.56 2mcg11 HIS 41 HB2 -0.00 0.03 0.03 -0.04 3.26 3.29 2mcg11 HIS 41 HB3 0.01 -0.10 -0.16 -0.04 3.20 2.91 2mcg11 HIS 41 HD2 -0.02 -0.07 -0.13 -0.04 6.97 6.70 2mcg11 HIS 41 HE1 0.04 -0.10 0.05 -0.04 7.75 7.69 2mcg11 ALA 42 H -0.14 0.12 0.13 -0.55 8.40 7.96 2mcg11 ALA 42 HA -0.01 0.07 0.31 -0.75 4.34 3.95 2mcg11 ALA 42 HB3 -0.02 0.00 0.15 -0.04 1.41 1.50 2mcg11 GLY 43 H 0.02 0.02 0.10 -0.55 8.43 8.02 2mcg11 GLY 43 HA2 0.01 0.20 0.54 -0.51 4.01 4.25 2mcg11 GLY 43 HA3 0.01 -0.07 0.34 -0.51 4.01 3.78 2mcg11 LYS 44 H 0.06 0.23 -0.32 -0.55 8.42 7.84 2mcg11 LYS 44 HA 0.03 0.03 0.66 -0.75 4.32 4.28 2mcg11 LYS 44 HB2 0.13 0.00 -0.01 -0.04 1.87 1.95 2mcg11 LYS 44 HB3 0.05 -0.01 0.11 -0.04 1.79 1.89 2mcg11 LYS 44 HG2 0.05 0.01 -0.09 -0.04 1.46 1.39 2mcg11 LYS 44 HG3 0.11 -0.09 -0.13 -0.04 1.46 1.32 2mcg11 LYS 44 HD2 0.04 0.02 0.01 -0.04 1.69 1.72 2mcg11 LYS 44 HD3 0.07 -0.02 -0.03 -0.04 1.68 1.66 2mcg11 LYS 44 HE2 0.25 -0.03 -0.03 -0.04 2.99 3.14 2mcg11 LYS 44 HE3 0.10 0.02 -0.03 -0.04 2.99 3.04 2mcg11 ALA 45 H 0.02 0.02 0.12 -0.55 8.40 8.01 2mcg11 ALA 45 HA -0.00 0.12 0.54 -0.75 4.34 4.24 2mcg11 ALA 45 HB3 0.01 -0.01 0.06 -0.04 1.41 1.43 2mcg11 PRO 46 HA 0.09 0.14 0.52 -0.51 4.44 4.69 2mcg11 PRO 46 HB2 0.11 0.04 -0.03 -0.04 2.28 2.36 2mcg11 PRO 46 HB3 -0.02 0.00 0.04 -0.04 2.02 2.01 2mcg11 PRO 46 HG2 -0.02 -0.02 0.08 -0.04 2.03 2.03 2mcg11 PRO 46 HG3 -0.18 0.03 0.06 -0.04 2.03 1.90 2mcg11 PRO 46 HD2 -0.03 0.03 0.24 -0.04 3.68 3.88 2mcg11 PRO 46 HD3 -0.06 0.20 0.18 -0.04 3.65 3.93 2mcg11 LYS 47 H 0.07 0.52 0.38 -0.55 8.42 8.83 2mcg11 LYS 47 HA 0.08 0.16 0.61 -0.75 4.32 4.42 2mcg11 LYS 47 HB2 0.00 0.00 0.16 -0.04 1.87 1.99 2mcg11 LYS 47 HB3 -0.01 0.08 0.10 -0.04 1.79 1.92 2mcg11 LYS 47 HG2 -0.06 -0.10 -0.12 -0.04 1.46 1.14 2mcg11 LYS 47 HG3 -0.05 0.01 -0.12 -0.04 1.46 1.25 2mcg11 LYS 47 HD2 -0.14 0.02 -0.03 -0.04 1.69 1.50 2mcg11 LYS 47 HD3 -0.14 -0.02 -0.06 -0.04 1.68 1.42 2mcg11 LYS 47 HE2 -0.06 0.04 0.00 -0.04 2.99 2.94 2mcg11 LYS 47 HE3 -0.08 -0.02 -0.02 -0.04 2.99 2.83 2mcg11 VAL 48 H 0.03 0.18 0.09 -0.55 8.24 7.99 2mcg11 VAL 48 HA -0.12 0.23 0.96 -0.75 4.13 4.45 2mcg11 VAL 48 HB -0.00 -0.04 0.14 -0.04 2.12 2.18 2mcg11 VAL 48 HG13 -0.08 0.01 -0.18 -0.04 0.97 0.68 2mcg11 VAL 48 HG23 0.07 0.01 -0.15 -0.04 0.95 0.84 2mcg11 ILE 49 H 0.01 0.49 0.19 -0.55 8.25 8.39 2mcg11 ILE 49 HA -0.08 0.18 0.81 -0.75 4.18 4.34 2mcg11 ILE 49 HB -0.37 0.02 0.04 -0.04 1.89 1.54 2mcg11 ILE 49 HG12 0.15 -0.03 -0.27 -0.04 1.49 1.30 2mcg11 ILE 49 HG13 0.12 0.02 -0.22 -0.04 1.21 1.09 2mcg11 ILE 49 HG23 -0.34 -0.01 -0.14 -0.04 0.93 0.39 2mcg11 ILE 49 HD13 0.12 -0.00 -0.15 -0.04 0.88 0.80 2mcg11 ILE 50 H 0.10 0.43 0.20 -0.55 8.25 8.43 2mcg11 ILE 50 HA 0.06 0.32 0.72 -0.75 4.18 4.52 2mcg11 ILE 50 HB 0.45 -0.19 -0.05 -0.04 1.89 2.06 2mcg11 ILE 50 HG12 0.13 0.02 -0.76 -0.04 1.49 0.84 2mcg11 ILE 50 HG13 0.12 -0.01 -0.31 -0.04 1.21 0.97 2mcg11 ILE 50 HG23 0.19 -0.01 -0.36 -0.04 0.93 0.71 2mcg11 ILE 50 HD13 0.07 -0.00 -0.35 -0.04 0.88 0.55 2mcg11 TYR 51 H -0.17 0.72 0.23 -0.55 8.29 8.51 2mcg11 TYR 51 HA 0.11 0.05 0.76 -0.75 4.56 4.72 2mcg11 TYR 51 HB2 0.18 -0.02 0.03 -0.04 3.06 3.21 2mcg11 TYR 51 HB3 0.03 0.05 -0.24 -0.04 2.98 2.78 2mcg11 TYR 51 HD2 0.05 -0.02 -0.28 -0.04 7.15 6.85 2mcg11 TYR 51 HE2 0.01 -0.04 -0.25 -0.04 6.85 6.53 2mcg11 GLU 52 H 0.37 0.13 0.01 -0.55 8.60 8.55 2mcg11 GLU 52 HA -1.08 0.01 0.32 -0.75 4.29 2.79 2mcg11 GLU 52 HB2 -0.00 -0.10 -0.23 -0.04 2.09 1.72 2mcg11 GLU 52 HB3 -0.18 0.11 0.02 -0.04 1.99 1.90 2mcg11 GLU 52 HG2 -0.39 0.08 0.19 -0.04 2.34 2.19 2mcg11 GLU 52 HG3 -1.04 -0.01 0.11 -0.04 2.34 1.37 2mcg11 VAL 53 H -0.02 -0.15 -1.38 -0.55 8.24 6.14 2mcg11 VAL 53 HA 0.04 0.18 0.11 -0.75 4.13 3.71 2mcg11 VAL 53 HB 0.00 -0.12 -0.26 -0.04 2.12 1.70 2mcg11 VAL 53 HG13 -0.04 0.01 -0.33 -0.04 0.97 0.58 2mcg11 VAL 53 HG23 -0.10 0.26 0.30 -0.04 0.95 1.38 2mcg11 ASN 54 H -0.10 0.27 -0.05 -0.55 8.53 8.11 2mcg11 ASN 54 HA 0.00 0.07 0.71 -0.75 4.76 4.79 2mcg11 ASN 54 HB2 -0.03 0.00 0.21 -0.04 2.88 3.02 2mcg11 ASN 54 HB3 -0.01 0.10 -0.07 -0.04 2.79 2.77 2mcg11 ASN 54 HD21 -0.05 0.01 -0.02 -0.04 7.03 6.93 2mcg11 ASN 54 HD22 -0.03 0.01 -0.01 -0.04 7.74 7.68 2mcg11 LYS 55 H -0.21 0.20 -0.07 -0.55 8.42 7.78 2mcg11 LYS 55 HA -0.25 0.12 0.58 -0.75 4.32 4.02 2mcg11 LYS 55 HB2 -0.41 -0.01 0.12 -0.04 1.87 1.53 2mcg11 LYS 55 HB3 -1.46 -0.07 0.14 -0.04 1.79 0.37 2mcg11 LYS 55 HG2 -0.51 -0.04 -0.07 -0.04 1.46 0.80 2mcg11 LYS 55 HG3 -0.27 0.04 -0.02 -0.04 1.46 1.17 2mcg11 LYS 55 HD2 -0.16 0.03 -0.05 -0.04 1.69 1.48 2mcg11 LYS 55 HD3 -0.04 -0.02 -0.03 -0.04 1.68 1.55 2mcg11 LYS 55 HE2 -0.07 -0.00 -0.03 -0.04 2.99 2.85 2mcg11 LYS 55 HE3 -0.06 -0.00 -0.02 -0.04 2.99 2.87 2mcg11 ARG 56 H -0.12 0.22 0.23 -0.55 8.46 8.23 2mcg11 ARG 56 HA -0.01 0.24 0.72 -0.75 4.34 4.53 2mcg11 ARG 56 HB2 0.03 0.02 0.17 -0.04 1.90 2.08 2mcg11 ARG 56 HB3 0.02 0.04 0.08 -0.04 1.80 1.90 2mcg11 ARG 56 HG2 -0.01 0.00 0.11 -0.04 1.67 1.74 2mcg11 ARG 56 HG3 0.01 -0.08 0.00 -0.04 1.67 1.56 2mcg11 ARG 56 HD2 0.03 -0.08 -0.03 -0.04 3.22 3.10 2mcg11 ARG 56 HD3 0.05 0.24 -0.02 -0.04 3.22 3.45 2mcg11 PRO 57 HA 0.32 0.20 0.64 -0.51 4.44 5.09 2mcg11 PRO 57 HB2 0.10 -0.01 0.09 -0.04 2.28 2.41 2mcg11 PRO 57 HB3 0.49 0.02 -0.09 -0.04 2.02 2.40 2mcg11 PRO 57 HG2 0.07 -0.03 0.01 -0.04 2.03 2.03 2mcg11 PRO 57 HG3 0.16 0.09 -0.17 -0.04 2.03 2.07 2mcg11 PRO 57 HD2 0.05 0.12 0.22 -0.04 3.68 4.03 2mcg11 PRO 57 HD3 0.12 0.20 0.05 -0.04 3.65 3.97 2mcg11 SER 58 H 0.06 0.16 -0.05 -0.55 8.46 8.09 2mcg11 SER 58 HA 0.03 0.14 0.34 -0.75 4.49 4.25 2mcg11 SER 58 HB2 0.05 0.22 -0.53 -0.04 3.95 3.65 2mcg11 SER 58 HB3 0.03 -0.01 -0.25 -0.04 3.93 3.65 2mcg11 GLY 59 H 0.01 0.22 0.03 -0.55 8.43 8.15 2mcg11 GLY 59 HA2 0.01 0.15 0.60 -0.51 4.01 4.26 2mcg11 GLY 59 HA3 -0.00 0.02 0.28 -0.51 4.01 3.80 2mcg11 VAL 60 H 0.01 -0.13 -0.13 -0.55 8.24 7.43 2mcg11 VAL 60 HA -0.03 0.12 0.37 -0.75 4.13 3.84 2mcg11 VAL 60 HB -0.01 -0.21 0.18 -0.04 2.12 2.04 2mcg11 VAL 60 HG13 0.02 0.07 0.10 -0.04 0.97 1.12 2mcg11 VAL 60 HG23 -0.19 0.02 0.05 -0.04 0.95 0.79 2mcg11 PRO 61 HA 0.06 0.08 0.37 -0.51 4.44 4.44 2mcg11 PRO 61 HB2 0.12 -0.06 0.04 -0.04 2.28 2.35 2mcg11 PRO 61 HB3 0.08 0.07 0.14 -0.04 2.02 2.26 2mcg11 PRO 61 HG2 0.40 -0.05 0.00 -0.04 2.03 2.34 2mcg11 PRO 61 HG3 0.20 0.05 0.05 -0.04 2.03 2.28 2mcg11 PRO 61 HD2 -0.02 0.04 0.16 -0.04 3.68 3.82 2mcg11 PRO 61 HD3 0.04 0.24 0.22 -0.04 3.65 4.11 2mcg11 ASP 62 H 0.06 0.10 0.16 -0.55 8.40 8.16 2mcg11 ASP 62 HA 0.08 0.30 0.62 -0.75 4.63 4.88 2mcg11 ASP 62 HB2 0.02 0.04 0.22 -0.04 2.71 2.95 2mcg11 ASP 62 HB3 0.03 0.04 0.09 -0.04 2.70 2.81 2mcg11 ARG 63 H 0.08 0.03 -0.21 -0.55 8.46 7.81 2mcg11 ARG 63 HA -0.07 0.10 0.32 -0.75 4.34 3.94 2mcg11 ARG 63 HB2 -0.38 -0.06 -0.06 -0.04 1.90 1.36 2mcg11 ARG 63 HB3 -0.17 -0.10 0.15 -0.04 1.80 1.64 2mcg11 ARG 63 HG2 -0.06 -0.02 -0.07 -0.04 1.67 1.48 2mcg11 ARG 63 HG3 -0.02 -0.15 0.01 -0.04 1.67 1.47 2mcg11 ARG 63 HD2 -0.27 -0.12 -0.02 -0.04 3.22 2.77 2mcg11 ARG 63 HD3 -0.09 0.31 0.05 -0.04 3.22 3.45 2mcg11 PHE 64 H 0.16 -0.03 -0.07 -0.55 8.34 7.85 2mcg11 PHE 64 HA -0.08 0.03 0.40 -0.75 4.62 4.22 2mcg11 PHE 64 HB2 -0.00 0.12 0.06 -0.04 3.15 3.29 2mcg11 PHE 64 HB3 -0.01 -0.01 -0.05 -0.04 3.06 2.95 2mcg11 PHE 64 HD2 0.01 0.04 -0.08 -0.04 7.28 7.20 2mcg11 PHE 64 HE2 0.20 -0.00 -0.09 -0.04 7.38 7.44 2mcg11 PHE 64 HZ 0.15 0.02 -0.09 -0.04 7.32 7.36 2mcg11 SER 65 H -0.08 0.26 0.31 -0.55 8.46 8.41 2mcg11 SER 65 HA 0.01 0.06 0.15 -0.75 4.49 3.95 2mcg11 SER 65 HB2 -0.05 -0.06 -0.02 -0.04 3.95 3.78 2mcg11 SER 65 HB3 -0.03 0.01 0.20 -0.04 3.93 4.07 2mcg11 GLY 66 H 0.01 0.15 0.19 -0.55 8.43 8.24 2mcg11 GLY 66 HA2 0.01 0.34 1.02 -0.51 4.01 4.87 2mcg11 GLY 66 HA3 0.13 0.16 0.43 -0.51 4.01 4.22 2mcg11 SER 67 H 0.18 0.27 0.35 -0.55 8.46 8.72 2mcg11 SER 67 HA 0.05 0.06 0.21 -0.75 4.49 4.05 2mcg11 SER 67 HB2 0.03 -0.07 0.04 -0.04 3.95 3.91 2mcg11 SER 67 HB3 0.02 0.03 0.25 -0.04 3.93 4.19 2mcg11 LYS 68 H 0.04 0.00 0.13 -0.55 8.42 8.03 2mcg11 LYS 68 HA 0.08 0.18 0.38 -0.75 4.32 4.21 2mcg11 LYS 68 HB2 0.06 -0.11 -0.16 -0.04 1.87 1.61 2mcg11 LYS 68 HB3 0.07 0.12 0.03 -0.04 1.79 1.97 2mcg11 LYS 68 HG2 0.03 -0.06 -0.19 -0.04 1.46 1.19 2mcg11 LYS 68 HG3 0.03 0.10 -0.06 -0.04 1.46 1.49 2mcg11 LYS 68 HD2 0.01 0.04 -0.02 -0.04 1.69 1.68 2mcg11 LYS 68 HD3 0.02 0.06 -0.06 -0.04 1.68 1.65 2mcg11 LYS 68 HE2 0.03 0.00 0.26 -0.04 2.99 3.23 2mcg11 LYS 68 HE3 0.01 0.01 0.21 -0.04 2.99 3.19 2mcg11 SER 69 H 0.04 0.51 0.22 -0.55 8.46 8.69 2mcg11 SER 69 HA 0.02 0.27 1.04 -0.75 4.49 5.06 2mcg11 SER 69 HB2 0.02 0.01 0.08 -0.04 3.95 4.01 2mcg11 SER 69 HB3 0.02 -0.04 0.07 -0.04 3.93 3.94 2mcg11 GLY 70 H 0.04 0.05 -0.04 -0.55 8.43 7.93 2mcg11 GLY 70 HA2 0.02 0.16 0.04 -0.51 4.01 3.72 2mcg11 GLY 70 HA3 0.02 0.14 0.67 -0.51 4.01 4.33 2mcg11 ASN 71 H 0.03 0.17 0.14 -0.55 8.53 8.32 2mcg11 ASN 71 HA 0.04 0.36 0.68 -0.75 4.76 5.08 2mcg11 ASN 71 HB2 0.03 0.01 0.01 -0.04 2.88 2.88 2mcg11 ASN 71 HB3 0.03 0.00 0.07 -0.04 2.79 2.85 2mcg11 ASN 71 HD21 0.02 0.15 -0.04 -0.04 7.03 7.13 2mcg11 ASN 71 HD22 0.02 -0.06 0.09 -0.04 7.74 7.75 2mcg11 THR 72 H 0.04 -0.15 -0.02 -0.55 8.28 7.60 2mcg11 THR 72 HA 0.05 0.40 1.07 -0.75 4.39 5.16 2mcg11 THR 72 HB 0.06 0.02 -0.16 -0.04 4.32 4.19 2mcg11 THR 72 HG23 0.03 -0.00 -0.22 -0.04 1.22 0.99 2mcg11 ALA 73 H 0.09 0.77 0.33 -0.55 8.40 9.05 2mcg11 ALA 73 HA 0.14 0.16 0.75 -0.75 4.34 4.65 2mcg11 ALA 73 HB3 0.13 0.01 0.08 -0.04 1.41 1.59 2mcg11 SER 74 H 0.23 0.57 0.23 -0.55 8.46 8.94 2mcg11 SER 74 HA 0.19 0.25 1.10 -0.75 4.49 5.28 2mcg11 SER 74 HB2 0.05 -0.07 -0.07 -0.04 3.95 3.82 2mcg11 SER 74 HB3 -0.02 0.05 -0.25 -0.04 3.93 3.66 2mcg11 LEU 75 H -0.39 0.73 0.29 -0.55 8.37 8.44 2mcg11 LEU 75 HA -0.48 0.33 0.97 -0.75 4.35 4.41 2mcg11 LEU 75 HB2 -3.11 -0.02 -0.11 -0.04 1.64 -1.63 2mcg11 LEU 75 HB3 -2.17 0.01 0.06 -0.04 1.64 -0.51 2mcg11 LEU 75 HG -0.93 -0.04 -0.15 -0.04 1.64 0.47 2mcg11 LEU 75 HD13 -0.38 0.02 -0.44 -0.04 0.93 0.09 2mcg11 LEU 75 HD23 -0.38 0.01 -0.16 -0.04 0.89 0.32 2mcg11 THR 76 H -0.21 0.76 0.30 -0.55 8.28 8.58 2mcg11 THR 76 HA -0.27 0.07 0.83 -0.75 4.39 4.27 2mcg11 THR 76 HB -0.15 0.46 0.29 -0.04 4.32 4.88 2mcg11 THR 76 HG23 -0.12 -0.03 -0.24 -0.04 1.22 0.80 2mcg11 VAL 77 H -0.26 0.27 0.07 -0.55 8.24 7.76 2mcg11 VAL 77 HA -0.45 0.23 0.64 -0.75 4.13 3.80 2mcg11 VAL 77 HB -0.31 -0.10 -0.03 -0.04 2.12 1.64 2mcg11 VAL 77 HG13 -0.34 -0.02 -0.32 -0.04 0.97 0.25 2mcg11 VAL 77 HG23 -0.70 0.01 -0.21 -0.04 0.95 0.01 2mcg11 SER 78 H -0.28 0.20 0.07 -0.55 8.46 7.91 2mcg11 SER 78 HA -0.12 0.05 0.72 -0.75 4.49 4.39 2mcg11 SER 78 HB2 -0.10 -0.02 -0.00 -0.04 3.95 3.79 2mcg11 SER 78 HB3 -0.08 -0.02 0.06 -0.04 3.93 3.84 2mcg11 GLY 79 H -0.07 0.15 -0.01 -0.55 8.43 7.94 2mcg11 GLY 79 HA2 -0.05 0.17 0.25 -0.51 4.01 3.88 2mcg11 GLY 79 HA3 -0.05 0.01 0.27 -0.51 4.01 3.73 2mcg11 LEU 80 H -0.07 0.49 -0.24 -0.55 8.37 8.00 2mcg11 LEU 80 HA -0.08 0.06 0.17 -0.75 4.35 3.74 2mcg11 LEU 80 HB2 -0.05 -0.10 0.08 -0.04 1.64 1.52 2mcg11 LEU 80 HB3 -0.03 -0.01 -0.06 -0.04 1.64 1.50 2mcg11 LEU 80 HG -0.10 0.05 -0.12 -0.04 1.64 1.43 2mcg11 LEU 80 HD13 -0.10 -0.02 -0.23 -0.04 0.93 0.55 2mcg11 LEU 80 HD23 -0.03 0.04 -0.21 -0.04 0.89 0.66 2mcg11 GLN 81 H -0.01 0.17 0.17 -0.55 8.47 8.25 2mcg11 GLN 81 HA 0.02 0.18 0.78 -0.75 4.36 4.58 2mcg11 GLN 81 HB2 0.05 0.04 0.05 -0.04 2.15 2.25 2mcg11 GLN 81 HB3 0.07 -0.20 -0.02 -0.04 2.02 1.82 2mcg11 GLN 81 HG2 0.01 0.21 -0.01 -0.04 2.40 2.58 2mcg11 GLN 81 HG3 0.05 -0.02 0.02 -0.04 2.39 2.40 2mcg11 GLN 81 HE21 0.01 -0.03 0.02 -0.04 6.97 6.93 2mcg11 GLN 81 HE22 0.00 0.11 -0.03 -0.04 7.69 7.74 2mcg11 ALA 82 H 0.04 0.22 0.13 -0.55 8.40 8.24 2mcg11 ALA 82 HA 0.04 0.12 0.46 -0.75 4.34 4.20 2mcg11 ALA 82 HB3 0.04 0.04 0.11 -0.04 1.41 1.56 2mcg11 GLU 83 H 0.09 0.09 -0.11 -0.55 8.60 8.12 2mcg11 GLU 83 HA 0.14 0.17 0.36 -0.75 4.29 4.21 2mcg11 GLU 83 HB2 0.21 0.07 0.16 -0.04 2.09 2.49 2mcg11 GLU 83 HB3 0.13 0.01 0.06 -0.04 1.99 2.14 2mcg11 GLU 83 HG2 0.10 -0.11 0.01 -0.04 2.34 2.29 2mcg11 GLU 83 HG3 0.10 0.06 -0.04 -0.04 2.34 2.40 2mcg11 ASP 84 H 0.12 0.21 -0.98 -0.55 8.40 7.20 2mcg11 ASP 84 HA 0.33 0.11 0.41 -0.75 4.63 4.73 2mcg11 ASP 84 HB2 0.06 0.21 -0.01 -0.04 2.71 2.93 2mcg11 ASP 84 HB3 0.11 -0.02 -0.03 -0.04 2.70 2.72 2mcg11 GLU 85 H 0.12 0.24 -0.25 -0.55 8.60 8.16 2mcg11 GLU 85 HA 0.09 0.03 0.37 -0.75 4.29 4.03 2mcg11 GLU 85 HB2 0.02 0.02 0.11 -0.04 2.09 2.20 2mcg11 GLU 85 HB3 0.00 0.03 -0.02 -0.04 1.99 1.96 2mcg11 GLU 85 HG2 0.02 -0.10 -0.07 -0.04 2.34 2.15 2mcg11 GLU 85 HG3 0.03 0.11 0.09 -0.04 2.34 2.54 2mcg11 ALA 86 H 0.16 0.54 0.36 -0.55 8.40 8.90 2mcg11 ALA 86 HA 0.02 -0.05 0.34 -0.75 4.34 3.89 2mcg11 ALA 86 HB3 0.13 0.12 -0.03 -0.04 1.41 1.59 2mcg11 ASP 87 H 0.05 0.73 0.40 -0.55 8.40 9.03 2mcg11 ASP 87 HA 0.07 0.29 0.93 -0.75 4.63 5.16 2mcg11 ASP 87 HB2 0.09 0.19 0.25 -0.04 2.71 3.20 2mcg11 ASP 87 HB3 0.04 -0.02 0.04 -0.04 2.70 2.73 2mcg11 TYR 88 H -0.07 0.55 0.39 -0.55 8.29 8.62 2mcg11 TYR 88 HA 0.16 0.28 1.03 -0.75 4.56 5.27 2mcg11 TYR 88 HB2 0.06 -0.06 0.03 -0.04 3.06 3.05 2mcg11 TYR 88 HB3 0.26 -0.03 -0.06 -0.04 2.98 3.11 2mcg11 TYR 88 HD2 0.09 -0.04 -0.43 -0.04 7.15 6.73 2mcg11 TYR 88 HE2 0.27 0.02 -0.21 -0.04 6.85 6.89 2mcg11 TYR 89 H 0.51 0.72 0.37 -0.55 8.29 9.34 2mcg11 TYR 89 HA 0.29 0.07 1.04 -0.75 4.56 5.21 2mcg11 TYR 89 HB2 0.39 -0.01 0.10 -0.04 3.06 3.50 2mcg11 TYR 89 HB3 0.45 0.08 -0.15 -0.04 2.98 3.32 2mcg11 TYR 89 HD2 0.12 0.18 -0.10 -0.04 7.15 7.30 2mcg11 TYR 89 HE2 0.01 0.07 -0.20 -0.04 6.85 6.68 2mcg11 CYS 90 H 0.08 0.10 0.16 -0.55 8.50 8.29 2mcg11 CYS 90 HA -0.60 0.22 0.80 -0.75 4.58 4.24 2mcg11 CYS 90 HB2 -0.61 0.07 -0.11 -0.04 2.97 2.27 2mcg11 CYS 90 HB3 -2.05 0.02 -0.08 -0.04 2.97 0.82 2mcg11 SER 91 H -0.24 0.47 0.37 -0.55 8.46 8.51 2mcg11 SER 91 HA -0.58 0.23 0.81 -0.75 4.49 4.19 2mcg11 SER 91 HB2 0.32 0.08 0.01 -0.04 3.95 4.33 2mcg11 SER 91 HB3 0.09 -0.16 0.09 -0.04 3.93 3.91 2mcg11 SER 92 H -0.73 0.81 0.40 -0.55 8.46 8.39 2mcg11 SER 92 HA -0.17 0.09 0.72 -0.75 4.49 4.38 2mcg11 SER 92 HB2 -0.17 0.02 -0.05 -0.04 3.95 3.70 2mcg11 SER 92 HB3 -0.24 0.08 0.03 -0.04 3.93 3.75 2mcg11 TYR 93 H -0.06 0.24 0.12 -0.55 8.29 8.04 2mcg11 TYR 93 HA 0.10 0.04 0.91 -0.75 4.56 4.85 2mcg11 TYR 93 HB2 0.61 -0.03 -0.14 -0.04 3.06 3.46 2mcg11 TYR 93 HB3 0.37 0.04 0.13 -0.04 2.98 3.48 2mcg11 TYR 93 HD2 0.49 -0.03 -0.02 -0.04 7.15 7.55 2mcg11 TYR 93 HE2 0.10 -0.02 -0.03 -0.04 6.85 6.86 2mcg11 GLU 94 H -0.27 0.31 0.19 -0.55 8.60 8.29 2mcg11 GLU 94 HA -0.38 0.24 0.86 -0.75 4.29 4.26 2mcg11 GLU 94 HB2 -0.23 -0.03 -0.04 -0.04 2.09 1.75 2mcg11 GLU 94 HB3 -0.17 0.37 0.17 -0.04 1.99 2.32 2mcg11 GLU 94 HG2 -0.11 0.15 0.10 -0.04 2.34 2.44 2mcg11 GLU 94 HG3 -0.14 0.07 0.14 -0.04 2.34 2.37 2mcg11 GLY 95 H -0.14 0.20 0.06 -0.55 8.43 8.01 2mcg11 GLY 95 HA2 -0.05 0.08 0.32 -0.51 4.01 3.85 2mcg11 GLY 95 HA3 -0.06 0.08 0.39 -0.51 4.01 3.91 2mcg11 SER 96 H -0.39 2.10 0.86 -0.55 8.46 10.49 2mcg11 SER 96 HA -0.16 -0.00 0.32 -0.75 4.49 3.90 2mcg11 SER 96 HB2 0.01 -0.03 0.04 -0.04 3.95 3.93 2mcg11 SER 96 HB3 0.05 -0.01 -0.01 -0.04 3.93 3.92 2mcg11 ASP 97 H -0.09 0.50 -2.02 -0.55 8.40 6.25 2mcg11 ASP 97 HA -0.04 0.06 0.61 -0.75 4.63 4.51 2mcg11 ASP 97 HB2 -0.03 -0.04 0.22 -0.04 2.71 2.82 2mcg11 ASP 97 HB3 -0.02 -0.03 0.08 -0.04 2.70 2.69 2mcg11 ASN 98 H -0.03 0.16 -0.23 -0.55 8.53 7.87 2mcg11 ASN 98 HA -0.02 0.10 0.28 -0.75 4.76 4.37 2mcg11 ASN 98 HB2 -0.07 1.15 0.55 -0.04 2.88 4.47 2mcg11 ASN 98 HB3 -0.14 -0.34 -0.19 -0.04 2.79 2.08 2mcg11 ASN 98 HD21 -0.06 0.02 0.01 -0.04 7.03 6.96 2mcg11 ASN 98 HD22 -0.05 0.13 0.11 -0.04 7.74 7.89 2mcg11 PHE 99 H 0.11 0.16 0.12 -0.55 8.34 8.18 2mcg11 PHE 99 HA -0.15 0.03 0.88 -0.75 4.62 4.63 2mcg11 PHE 99 HB2 -0.07 -0.04 0.08 -0.04 3.15 3.08 2mcg11 PHE 99 HB3 -0.08 0.03 0.06 -0.04 3.06 3.03 2mcg11 PHE 99 HD2 -0.21 -0.08 0.05 -0.04 7.28 7.00 2mcg11 PHE 99 HE2 0.08 -0.05 -0.11 -0.04 7.38 7.26 2mcg11 PHE 99 HZ -0.07 -0.13 -0.15 -0.04 7.32 6.92 2mcg11 VAL 100 H -0.81 0.55 0.14 -0.55 8.24 7.57 2mcg11 VAL 100 HA -0.12 0.19 0.53 -0.75 4.13 3.97 2mcg11 VAL 100 HB -0.21 0.03 -0.20 -0.04 2.12 1.70 2mcg11 VAL 100 HG13 -0.12 0.04 -0.16 -0.04 0.97 0.68 2mcg11 VAL 100 HG23 -0.34 -0.09 -0.33 -0.04 0.95 0.15 2mcg11 PHE 101 H 0.09 0.22 0.20 -0.55 8.34 8.30 2mcg11 PHE 101 HA -0.12 0.19 0.82 -0.75 4.62 4.75 2mcg11 PHE 101 HB2 -0.10 -0.04 0.17 -0.04 3.15 3.14 2mcg11 PHE 101 HB3 -0.07 0.14 -0.08 -0.04 3.06 3.01 2mcg11 PHE 101 HD2 -0.08 0.05 -0.09 -0.04 7.28 7.12 2mcg11 PHE 101 HE2 -0.50 -0.01 -0.09 -0.04 7.38 6.74 2mcg11 PHE 101 HZ -0.60 -0.01 -0.08 -0.04 7.32 6.59 2mcg11 GLY 102 H 0.05 0.64 0.34 -0.55 8.43 8.91 2mcg11 GLY 102 HA2 0.05 0.16 0.47 -0.51 4.01 4.18 2mcg11 GLY 102 HA3 0.03 -0.09 0.25 -0.51 4.01 3.70 2mcg11 THR 103 H 0.08 0.28 0.25 -0.55 8.28 8.34 2mcg11 THR 103 HA 0.15 0.09 0.33 -0.75 4.39 4.20 2mcg11 THR 103 HB 0.06 0.03 0.17 -0.04 4.32 4.53 2mcg11 THR 103 HG23 0.05 0.01 0.21 -0.04 1.22 1.45 2mcg11 GLY 104 H 0.09 -0.06 -0.28 -0.55 8.43 7.64 2mcg11 GLY 104 HA2 -0.30 0.47 0.64 -0.51 4.01 4.31 2mcg11 GLY 104 HA3 -0.77 0.00 0.30 -0.51 4.01 3.03 2mcg11 THR 105 H -0.03 0.53 0.40 -0.55 8.28 8.63 2mcg11 THR 105 HA -0.03 0.13 0.72 -0.75 4.39 4.46 2mcg11 THR 105 HB 0.05 -0.06 0.09 -0.04 4.32 4.35 2mcg11 THR 105 HG23 -0.08 -0.02 -0.19 -0.04 1.22 0.89 2mcg11 LYS 106 H -0.06 -0.04 0.25 -0.55 8.42 8.02 2mcg11 LYS 106 HA 0.02 0.25 0.92 -0.75 4.32 4.76 2mcg11 LYS 106 HB2 -0.10 -0.05 -0.09 -0.04 1.87 1.59 2mcg11 LYS 106 HB3 -0.05 0.08 0.02 -0.04 1.79 1.79 2mcg11 LYS 106 HG2 -0.08 -0.35 0.24 -0.04 1.46 1.24 2mcg11 LYS 106 HG3 -0.13 0.04 -0.02 -0.04 1.46 1.31 2mcg11 LYS 106 HD2 -0.07 0.07 -0.01 -0.04 1.69 1.64 2mcg11 LYS 106 HD3 -0.04 0.05 -0.11 -0.04 1.68 1.53 2mcg11 LYS 106 HE2 -0.08 -0.10 0.07 -0.04 2.99 2.85 2mcg11 LYS 106 HE3 -0.04 0.06 0.06 -0.04 2.99 3.03 2mcg11 VAL 107 H 0.11 0.94 0.32 -0.55 8.24 9.06 2mcg11 VAL 107 HA -0.09 0.40 0.96 -0.75 4.13 4.65 2mcg11 VAL 107 HB 0.01 0.10 0.14 -0.04 2.12 2.33 2mcg11 VAL 107 HG13 -0.10 -0.01 -0.13 -0.04 0.97 0.68 2mcg11 VAL 107 HG23 -0.33 -0.01 -0.11 -0.04 0.95 0.45 2mcg11 THR 108 H -0.08 0.40 0.24 -0.55 8.28 8.29 2mcg11 THR 108 HA -0.04 0.16 0.78 -0.75 4.39 4.53 2mcg11 THR 108 HB -0.17 -0.06 -0.03 -0.04 4.32 4.02 2mcg11 THR 108 HG23 -0.14 0.01 -0.17 -0.04 1.22 0.88 2mcg11 VAL 109 H 0.01 0.20 0.08 -0.55 8.24 7.97 2mcg11 VAL 109 HA 0.01 0.18 0.85 -0.75 4.13 4.42 2mcg11 VAL 109 HB 0.03 -0.01 0.11 -0.04 2.12 2.20 2mcg11 VAL 109 HG13 0.04 0.03 -0.26 -0.04 0.97 0.74 2mcg11 VAL 109 HG23 0.01 -0.03 -0.21 -0.04 0.95 0.68 2mcg11 LEU 110 H 0.07 0.47 0.13 -0.55 8.37 8.49 2mcg11 LEU 110 HA 0.37 -0.06 0.24 -0.75 4.35 4.15 2mcg11 LEU 110 HB2 0.10 0.05 0.17 -0.04 1.64 1.92 2mcg11 LEU 110 HB3 0.16 0.13 -0.02 -0.04 1.64 1.86 2mcg11 LEU 110 HG 0.18 0.01 -0.02 -0.04 1.64 1.77 2mcg11 LEU 110 HD13 0.32 -0.01 -0.01 -0.04 0.93 1.20 2mcg11 LEU 110 HD23 0.05 0.07 -0.17 -0.04 0.89 0.79 2mcg11 GLY 111 H 0.36 0.09 0.23 -0.55 8.43 8.56 2mcg11 GLY 111 HA2 0.07 0.12 0.63 -0.51 4.01 4.32 2mcg11 GLY 111 HA3 0.12 0.00 0.35 -0.51 4.01 3.97 2mcg11 GLN 112 H -0.04 0.25 0.01 -0.55 8.47 8.15 2mcg11 GLN 112 HA -0.11 0.10 0.21 -0.75 4.36 3.80 2mcg11 GLN 112 HB2 -0.11 -0.01 0.17 -0.04 2.15 2.15 2mcg11 GLN 112 HB3 -0.06 -0.01 -0.12 -0.04 2.02 1.79 2mcg11 GLN 112 HG2 -1.18 -0.15 -0.70 -0.04 2.40 0.32 2mcg11 GLN 112 HG3 -0.39 0.09 -0.05 -0.04 2.39 1.99 2mcg11 GLN 112 HE21 0.09 -0.09 -0.22 -0.04 6.97 6.71 2mcg11 GLN 112 HE22 -0.22 0.41 -0.08 -0.04 7.69 7.76 2mcg11 PRO 113 HA -0.22 -0.01 0.40 -0.51 4.44 4.11 2mcg11 PRO 113 HB2 -0.11 0.05 0.00 -0.04 2.28 2.18 2mcg11 PRO 113 HB3 -0.08 0.06 0.06 -0.04 2.02 2.02 2mcg11 PRO 113 HG2 -0.07 0.05 0.03 -0.04 2.03 2.00 2mcg11 PRO 113 HG3 -0.08 0.03 -0.01 -0.04 2.03 1.93 2mcg11 PRO 113 HD2 -0.13 0.14 0.15 -0.04 3.68 3.81 2mcg11 PRO 113 HD3 -0.12 0.13 0.06 -0.04 3.65 3.68 2mcg11 LYS 114 H -0.07 0.09 0.17 -0.55 8.42 8.05 2mcg11 LYS 114 HA 0.35 0.04 0.64 -0.75 4.32 4.60 2mcg11 LYS 114 HB2 0.07 -0.01 0.15 -0.04 1.87 2.04 2mcg11 LYS 114 HB3 0.16 0.05 0.00 -0.04 1.79 1.96 2mcg11 LYS 114 HG2 0.27 0.00 0.05 -0.04 1.46 1.74 2mcg11 LYS 114 HG3 0.08 -0.01 0.05 -0.04 1.46 1.54 2mcg11 LYS 114 HD2 0.06 0.01 -0.01 -0.04 1.69 1.71 2mcg11 LYS 114 HD3 0.09 0.06 0.01 -0.04 1.68 1.80 2mcg11 LYS 114 HE2 0.04 -0.06 -0.01 -0.04 2.99 2.92 2mcg11 LYS 114 HE3 0.02 -0.00 -0.02 -0.04 2.99 2.95 2mcg11 ALA 115 H 0.34 0.11 0.22 -0.55 8.40 8.52 2mcg11 ALA 115 HA 0.12 0.09 0.74 -0.75 4.34 4.53 2mcg11 ALA 115 HB3 0.14 0.06 0.02 -0.04 1.41 1.59 2mcg11 ASN 116 H 0.13 0.08 0.15 -0.55 8.53 8.34 2mcg11 ASN 116 HA 0.20 0.13 0.63 -0.75 4.76 4.96 2mcg11 ASN 116 HB2 0.08 0.06 -0.05 -0.04 2.88 2.92 2mcg11 ASN 116 HB3 0.13 0.03 0.11 -0.04 2.79 3.02 2mcg11 ASN 116 HD21 0.11 -0.09 -0.04 -0.04 7.03 6.97 2mcg11 ASN 116 HD22 0.18 0.19 0.08 -0.04 7.74 8.16 2mcg11 PRO 117 HA -0.08 0.17 -0.10 -0.51 4.44 3.92 2mcg11 PRO 117 HB2 -0.00 -0.04 -0.09 -0.04 2.28 2.10 2mcg11 PRO 117 HB3 0.12 0.01 -0.13 -0.04 2.02 1.99 2mcg11 PRO 117 HG2 0.07 -0.01 -0.08 -0.04 2.03 1.96 2mcg11 PRO 117 HG3 0.05 0.11 -0.04 -0.04 2.03 2.12 2mcg11 PRO 117 HD2 0.05 0.04 0.02 -0.04 3.68 3.76 2mcg11 PRO 117 HD3 0.09 0.18 0.22 -0.04 3.65 4.09 2mcg11 THR 118 H -0.16 0.13 0.20 -0.55 8.28 7.91 2mcg11 THR 118 HA -0.04 0.12 0.49 -0.75 4.39 4.21 2mcg11 THR 118 HB -0.07 -0.04 0.18 -0.04 4.32 4.35 2mcg11 THR 118 HG23 -0.04 -0.02 -0.11 -0.04 1.22 1.01 2mcg11 VAL 119 H -0.05 0.15 0.04 -0.55 8.24 7.83 2mcg11 VAL 119 HA -0.07 0.36 0.99 -0.75 4.13 4.65 2mcg11 VAL 119 HB -0.08 0.06 0.00 -0.04 2.12 2.06 2mcg11 VAL 119 HG13 -0.05 0.00 -0.11 -0.04 0.97 0.78 2mcg11 VAL 119 HG23 -0.09 -0.00 -0.24 -0.04 0.95 0.58 2mcg11 THR 120 H -0.09 0.79 0.33 -0.55 8.28 8.76 2mcg11 THR 120 HA -0.20 0.08 0.79 -0.75 4.39 4.30 2mcg11 THR 120 HB -0.10 -0.01 0.07 -0.04 4.32 4.24 2mcg11 THR 120 HG23 -0.72 -0.01 -0.18 -0.04 1.22 0.27 2mcg11 LEU 121 H -0.25 0.20 0.15 -0.55 8.37 7.93 2mcg11 LEU 121 HA -0.05 0.42 1.00 -0.75 4.35 4.98 2mcg11 LEU 121 HB2 -0.08 -0.07 -0.13 -0.04 1.64 1.31 2mcg11 LEU 121 HB3 -0.03 0.01 -0.03 -0.04 1.64 1.55 2mcg11 LEU 121 HG 0.17 0.01 -0.21 -0.04 1.64 1.57 2mcg11 LEU 121 HD13 0.24 0.09 -0.26 -0.04 0.93 0.97 2mcg11 LEU 121 HD23 -0.02 -0.01 -0.21 -0.04 0.89 0.61 2mcg11 PHE 122 H 0.24 0.64 0.38 -0.55 8.34 9.05 2mcg11 PHE 122 HA 0.02 0.18 0.95 -0.75 4.62 5.01 2mcg11 PHE 122 HB2 -0.01 -0.04 0.14 -0.04 3.15 3.19 2mcg11 PHE 122 HB3 -0.01 0.02 0.06 -0.04 3.06 3.08 2mcg11 PHE 122 HD2 0.02 0.07 0.00 -0.04 7.28 7.33 2mcg11 PHE 122 HE2 0.00 -0.03 -0.07 -0.04 7.38 7.25 2mcg11 PHE 122 HZ -0.01 -0.01 -0.08 -0.04 7.32 7.18 2mcg11 PRO 123 HA -0.29 0.06 0.49 -0.51 4.44 4.19 2mcg11 PRO 123 HB2 -0.04 0.16 0.02 -0.04 2.28 2.39 2mcg11 PRO 123 HB3 -0.01 0.03 0.09 -0.04 2.02 2.08 2mcg11 PRO 123 HG2 0.14 0.04 0.03 -0.04 2.03 2.20 2mcg11 PRO 123 HG3 0.20 0.01 0.05 -0.04 2.03 2.25 2mcg11 PRO 123 HD2 0.12 0.08 0.13 -0.04 3.68 3.96 2mcg11 PRO 123 HD3 0.09 0.22 0.16 -0.04 3.65 4.08 2mcg11 PRO 124 HA -0.22 0.05 0.71 -0.51 4.44 4.47 2mcg11 PRO 124 HB2 -0.30 0.12 0.03 -0.04 2.28 2.08 2mcg11 PRO 124 HB3 -0.36 -0.30 0.14 -0.04 2.02 1.46 2mcg11 PRO 124 HG2 -1.36 0.05 -0.01 -0.04 2.03 0.67 2mcg11 PRO 124 HG3 -1.05 -0.00 -0.17 -0.04 2.03 0.77 2mcg11 PRO 124 HD2 -0.78 0.12 0.15 -0.04 3.68 3.13 2mcg11 PRO 124 HD3 -1.44 0.07 0.09 -0.04 3.65 2.33 2mcg11 SER 125 H -0.10 0.13 0.14 -0.55 8.46 8.08 2mcg11 SER 125 HA -0.01 0.12 0.46 -0.75 4.49 4.31 2mcg11 SER 125 HB2 -0.03 -0.05 0.09 -0.04 3.95 3.92 2mcg11 SER 125 HB3 -0.05 0.16 0.13 -0.04 3.93 4.12 2mcg11 SER 126 H 0.01 0.17 0.13 -0.55 8.46 8.22 2mcg11 SER 126 HA 0.03 0.19 0.34 -0.75 4.49 4.30 2mcg11 SER 126 HB2 0.02 0.02 0.01 -0.04 3.95 3.96 2mcg11 SER 126 HB3 0.03 0.16 0.11 -0.04 3.93 4.19 2mcg11 GLU 127 H -0.01 0.07 -0.17 -0.55 8.60 7.94 2mcg11 GLU 127 HA -0.01 0.09 0.17 -0.75 4.29 3.78 2mcg11 GLU 127 HB2 -0.03 -0.08 0.10 -0.04 2.09 2.04 2mcg11 GLU 127 HB3 -0.03 0.08 -0.03 -0.04 1.99 1.96 2mcg11 GLU 127 HG2 -0.02 -0.00 0.05 -0.04 2.34 2.33 2mcg11 GLU 127 HG3 -0.03 0.03 0.02 -0.04 2.34 2.33 2mcg11 GLU 128 H -0.05 0.01 -0.38 -0.55 8.60 7.64 2mcg11 GLU 128 HA -0.06 0.00 0.03 -0.75 4.29 3.51 2mcg11 GLU 128 HB2 -0.09 -0.10 0.08 -0.04 2.09 1.94 2mcg11 GLU 128 HB3 -0.11 0.09 -0.09 -0.04 1.99 1.84 2mcg11 GLU 128 HG2 -0.08 0.01 -0.04 -0.04 2.34 2.19 2mcg11 GLU 128 HG3 -0.11 0.01 -0.01 -0.04 2.34 2.19 2mcg11 LEU 129 H -0.03 0.44 -0.52 -0.55 8.37 7.70 2mcg11 LEU 129 HA -0.00 0.11 0.26 -0.75 4.35 3.97 2mcg11 LEU 129 HB2 0.02 0.04 0.19 -0.04 1.64 1.85 2mcg11 LEU 129 HB3 0.06 -0.10 0.06 -0.04 1.64 1.61 2mcg11 LEU 129 HG 0.16 -0.07 -0.01 -0.04 1.64 1.68 2mcg11 LEU 129 HD13 -0.05 -0.03 0.03 -0.04 0.93 0.84 2mcg11 LEU 129 HD23 -0.04 0.01 -0.27 -0.04 0.89 0.55 2mcg11 GLN 130 H -0.00 0.73 -0.03 -0.55 8.47 8.61 2mcg11 GLN 130 HA 0.01 -0.03 0.51 -0.75 4.36 4.10 2mcg11 GLN 130 HB2 -0.00 -0.00 0.18 -0.04 2.15 2.28 2mcg11 GLN 130 HB3 0.00 -0.07 0.10 -0.04 2.02 2.01 2mcg11 GLN 130 HG2 0.01 -0.01 0.02 -0.04 2.40 2.38 2mcg11 GLN 130 HG3 0.01 0.06 -0.07 -0.04 2.39 2.35 2mcg11 GLN 130 HE21 0.02 -0.03 -0.02 -0.04 6.97 6.90 2mcg11 GLN 130 HE22 0.02 0.04 -0.03 -0.04 7.69 7.68 2mcg11 ALA 131 H -0.02 0.40 -0.03 -0.55 8.40 8.20 2mcg11 ALA 131 HA -0.01 -0.02 0.06 -0.75 4.34 3.61 2mcg11 ALA 131 HB3 -0.03 -0.03 0.09 -0.04 1.41 1.40 2mcg11 ASN 132 H -0.00 0.83 -0.71 -0.55 8.53 8.10 2mcg11 ASN 132 HA 0.01 0.02 0.33 -0.75 4.76 4.37 2mcg11 ASN 132 HB2 0.00 0.02 0.03 -0.04 2.88 2.89 2mcg11 ASN 132 HB3 -0.00 0.03 0.21 -0.04 2.79 2.99 2mcg11 ASN 132 HD21 0.01 -0.08 0.08 -0.04 7.03 7.00 2mcg11 ASN 132 HD22 0.00 0.02 0.12 -0.04 7.74 7.84 2mcg11 LYS 133 H -0.02 0.48 -0.40 -0.55 8.42 7.92 2mcg11 LYS 133 HA -0.04 0.17 0.82 -0.75 4.32 4.51 2mcg11 LYS 133 HB2 -0.06 -0.02 -0.05 -0.04 1.87 1.70 2mcg11 LYS 133 HB3 -0.08 -0.15 0.03 -0.04 1.79 1.55 2mcg11 LYS 133 HG2 -0.04 0.08 0.08 -0.04 1.46 1.53 2mcg11 LYS 133 HG3 -0.04 0.20 -0.20 -0.04 1.46 1.38 2mcg11 LYS 133 HD2 -0.07 -0.07 -0.03 -0.04 1.69 1.48 2mcg11 LYS 133 HD3 -0.06 -0.02 -0.01 -0.04 1.68 1.55 2mcg11 LYS 133 HE2 -0.04 0.02 -0.01 -0.04 2.99 2.92 2mcg11 LYS 133 HE3 -0.04 0.02 -0.02 -0.04 2.99 2.91 2mcg11 ALA 134 H -0.11 0.19 0.01 -0.55 8.40 7.95 2mcg11 ALA 134 HA -0.23 -0.04 0.38 -0.75 4.34 3.69 2mcg11 ALA 134 HB3 -0.11 0.06 -0.36 -0.04 1.41 0.96 2mcg11 THR 135 H -0.29 0.18 0.11 -0.55 8.28 7.73 2mcg11 THR 135 HA -0.27 0.24 1.07 -0.75 4.39 4.68 2mcg11 THR 135 HB -0.20 -0.06 -0.04 -0.04 4.32 3.98 2mcg11 THR 135 HG23 -0.20 0.02 -0.23 -0.04 1.22 0.77 2mcg11 LEU 136 H -0.32 0.66 0.37 -0.55 8.37 8.54 2mcg11 LEU 136 HA -0.13 0.27 0.81 -0.75 4.35 4.55 2mcg11 LEU 136 HB2 -0.48 -0.00 0.09 -0.04 1.64 1.21 2mcg11 LEU 136 HB3 0.15 -0.03 -0.04 -0.04 1.64 1.67 2mcg11 LEU 136 HG -0.51 0.03 -0.11 -0.04 1.64 1.01 2mcg11 LEU 136 HD13 -0.24 -0.01 -0.14 -0.04 0.93 0.50 2mcg11 LEU 136 HD23 0.27 0.02 -0.18 -0.04 0.89 0.97 2mcg11 VAL 137 H 0.20 0.71 0.32 -0.55 8.24 8.93 2mcg11 VAL 137 HA 0.32 0.16 0.73 -0.75 4.13 4.58 2mcg11 VAL 137 HB 0.11 -0.02 0.09 -0.04 2.12 2.26 2mcg11 VAL 137 HG13 0.15 0.03 -0.05 -0.04 0.97 1.06 2mcg11 VAL 137 HG23 -0.04 0.02 -0.19 -0.04 0.95 0.70 2mcg11 CYS 138 H 0.38 0.71 0.14 -0.55 8.50 9.18 2mcg11 CYS 138 HA 0.10 0.20 0.93 -0.75 4.58 5.06 2mcg11 CYS 138 HB2 -0.26 -0.06 -0.17 -0.04 2.97 2.45 2mcg11 CYS 138 HB3 -0.05 -0.07 0.03 -0.04 2.97 2.85 2mcg11 LEU 139 H 0.17 0.79 0.33 -0.55 8.37 9.11 2mcg11 LEU 139 HA 0.11 0.11 0.95 -0.75 4.35 4.76 2mcg11 LEU 139 HB2 0.29 -0.03 0.05 -0.04 1.64 1.91 2mcg11 LEU 139 HB3 0.31 0.04 0.16 -0.04 1.64 2.12 2mcg11 LEU 139 HG 0.02 0.05 -0.29 -0.04 1.64 1.37 2mcg11 LEU 139 HD13 0.04 0.01 -0.04 -0.04 0.93 0.90 2mcg11 LEU 139 HD23 0.13 -0.02 -0.08 -0.04 0.89 0.88 2mcg11 ILE 140 H -0.01 0.70 0.38 -0.55 8.25 8.78 2mcg11 ILE 140 HA -0.11 0.22 0.91 -0.75 4.18 4.45 2mcg11 ILE 140 HB -0.05 -0.00 -0.09 -0.04 1.89 1.70 2mcg11 ILE 140 HG12 0.16 -0.01 -0.15 -0.04 1.49 1.44 2mcg11 ILE 140 HG13 -0.16 -0.12 -0.17 -0.04 1.21 0.72 2mcg11 ILE 140 HG23 0.02 -0.00 -0.29 -0.04 0.93 0.61 2mcg11 ILE 140 HD13 -0.01 0.01 -0.18 -0.04 0.88 0.65 2mcg11 SER 141 H -0.21 0.58 0.30 -0.55 8.46 8.58 2mcg11 SER 141 HA -0.64 0.17 1.02 -0.75 4.49 4.28 2mcg11 SER 141 HB2 -0.14 -0.04 0.02 -0.04 3.95 3.76 2mcg11 SER 141 HB3 -0.12 -0.02 -0.20 -0.04 3.93 3.56 2mcg11 ASP 142 H -0.31 0.49 0.23 -0.55 8.40 8.26 2mcg11 ASP 142 HA -0.02 -0.10 0.26 -0.75 4.63 4.02 2mcg11 ASP 142 HB2 -0.08 0.29 -0.36 -0.04 2.71 2.52 2mcg11 ASP 142 HB3 -0.01 0.02 0.19 -0.04 2.70 2.85 2mcg11 PHE 143 H 0.33 0.10 0.22 -0.55 8.34 8.44 2mcg11 PHE 143 HA 0.06 0.18 0.78 -0.75 4.62 4.88 2mcg11 PHE 143 HB2 -0.29 0.18 -0.15 -0.04 3.15 2.85 2mcg11 PHE 143 HB3 -0.13 -0.04 -0.83 -0.04 3.06 2.03 2mcg11 PHE 143 HD2 -0.06 -0.17 -0.05 -0.04 7.28 6.95 2mcg11 PHE 143 HE2 0.09 -0.13 -0.38 -0.04 7.38 6.91 2mcg11 PHE 143 HZ 0.02 -0.04 -0.30 -0.04 7.32 6.95 2mcg11 TYR 144 H 0.37 0.62 0.35 -0.55 8.29 9.08 2mcg11 TYR 144 HA 0.18 0.08 0.17 -0.75 4.56 4.24 2mcg11 TYR 144 HB2 0.13 -0.12 0.45 -0.04 3.06 3.47 2mcg11 TYR 144 HB3 0.15 -0.02 0.29 -0.04 2.98 3.36 2mcg11 TYR 144 HD2 0.10 -0.06 -0.10 -0.04 7.15 7.04 2mcg11 TYR 144 HE2 0.06 -0.06 -0.09 -0.04 6.85 6.73 2mcg11 PRO 145 HA -0.48 -0.07 0.36 -0.51 4.44 3.74 2mcg11 PRO 145 HB2 -0.32 0.06 -0.02 -0.04 2.28 1.96 2mcg11 PRO 145 HB3 -0.52 -0.03 0.03 -0.04 2.02 1.46 2mcg11 PRO 145 HG2 -0.29 0.08 -0.03 -0.04 2.03 1.75 2mcg11 PRO 145 HG3 -0.37 -0.03 0.01 -0.04 2.03 1.59 2mcg11 PRO 145 HD2 0.07 0.17 0.07 -0.04 3.68 3.95 2mcg11 PRO 145 HD3 -0.11 0.07 0.18 -0.04 3.65 3.74 2mcg11 GLY 146 H -0.64 0.04 0.12 -0.55 8.43 7.40 2mcg11 GLY 146 HA2 -0.83 0.13 0.44 -0.51 4.01 3.23 2mcg11 GLY 146 HA3 -1.53 -0.04 0.33 -0.51 4.01 2.27 2mcg11 ALA 147 H -0.42 0.82 -0.19 -0.55 8.40 8.07 2mcg11 ALA 147 HA -0.16 0.10 0.61 -0.75 4.34 4.13 2mcg11 ALA 147 HB3 -0.15 -0.02 -0.16 -0.04 1.41 1.04 2mcg11 VAL 148 H -0.04 0.29 0.16 -0.55 8.24 8.10 2mcg11 VAL 148 HA 0.06 0.33 0.54 -0.75 4.13 4.30 2mcg11 VAL 148 HB 0.10 -0.02 0.01 -0.04 2.12 2.16 2mcg11 VAL 148 HG13 0.00 0.04 -0.14 -0.04 0.97 0.83 2mcg11 VAL 148 HG23 0.17 -0.04 -0.23 -0.04 0.95 0.82 2mcg11 THR 149 H 0.04 0.44 0.37 -0.55 8.28 8.58 2mcg11 THR 149 HA 0.02 0.27 1.14 -0.75 4.39 5.07 2mcg11 THR 149 HB 0.02 0.02 -0.10 -0.04 4.32 4.22 2mcg11 THR 149 HG23 0.02 0.01 0.03 -0.04 1.22 1.24 2mcg11 VAL 150 H 0.02 0.21 0.14 -0.55 8.24 8.06 2mcg11 VAL 150 HA -0.06 0.42 1.03 -0.75 4.13 4.76 2mcg11 VAL 150 HB 0.03 -0.04 0.01 -0.04 2.12 2.08 2mcg11 VAL 150 HG13 -0.13 0.00 -0.12 -0.04 0.97 0.68 2mcg11 VAL 150 HG23 0.03 0.02 -0.33 -0.04 0.95 0.62 2mcg11 ALA 151 H -0.13 0.74 0.35 -0.55 8.40 8.81 2mcg11 ALA 151 HA 0.07 0.13 0.78 -0.75 4.34 4.57 2mcg11 ALA 151 HB3 0.01 0.01 -0.07 -0.04 1.41 1.32 2mcg11 TRP 152 H 0.25 0.29 0.27 -0.55 7.97 8.23 2mcg11 TRP 152 HA 0.07 0.41 1.14 -0.75 4.62 5.49 2mcg11 TRP 152 HB2 0.06 0.08 0.07 -0.04 3.23 3.40 2mcg11 TRP 152 HB3 0.12 -0.01 -0.15 -0.04 3.23 3.15 2mcg11 TRP 152 HD1 0.02 0.02 -0.18 -0.04 7.22 7.04 2mcg11 TRP 152 HE1 0.01 -0.05 -0.27 -0.04 10.20 9.85 2mcg11 TRP 152 HE3 0.17 0.06 -0.14 -0.04 7.59 7.63 2mcg11 TRP 152 HZ2 0.06 -0.02 -0.47 -0.04 7.44 6.97 2mcg11 TRP 152 HZ3 0.10 -0.01 -0.29 -0.04 7.13 6.89 2mcg11 TRP 152 HH2 0.05 -0.04 -0.39 -0.04 7.19 6.76 2mcg11 LYS 153 H 0.33 0.49 0.37 -0.55 8.42 9.06 2mcg11 LYS 153 HA 0.15 0.26 0.84 -0.75 4.32 4.81 2mcg11 LYS 153 HB2 0.08 -0.19 -0.25 -0.04 1.87 1.47 2mcg11 LYS 153 HB3 0.07 0.08 -0.44 -0.04 1.79 1.45 2mcg11 LYS 153 HG2 0.07 -0.05 -0.35 -0.04 1.46 1.09 2mcg11 LYS 153 HG3 0.05 -0.02 -0.18 -0.04 1.46 1.28 2mcg11 LYS 153 HD2 0.04 0.17 -0.28 -0.04 1.69 1.57 2mcg11 LYS 153 HD3 0.05 -0.00 -0.31 -0.04 1.68 1.38 2mcg11 LYS 153 HE2 0.02 0.02 -0.14 -0.04 2.99 2.86 2mcg11 LYS 153 HE3 0.02 -0.03 -0.20 -0.04 2.99 2.74 2mcg11 ALA 154 H 0.05 0.84 0.15 -0.55 8.40 8.90 2mcg11 ALA 154 HA -0.47 0.17 0.88 -0.75 4.34 4.16 2mcg11 ALA 154 HB3 -0.27 0.01 0.10 -0.04 1.41 1.20 2mcg11 ASP 155 H -0.16 0.80 0.28 -0.55 8.40 8.77 2mcg11 ASP 155 HA -0.04 0.05 0.39 -0.75 4.63 4.28 2mcg11 ASP 155 HB2 0.01 0.16 -0.12 -0.04 2.71 2.72 2mcg11 ASP 155 HB3 -0.02 0.04 0.29 -0.04 2.70 2.97 2mcg11 GLY 156 H 0.01 0.04 -0.59 -0.55 8.43 7.35 2mcg11 GLY 156 HA2 0.02 -0.02 0.14 -0.51 4.01 3.65 2mcg11 GLY 156 HA3 0.01 0.13 0.07 -0.51 4.01 3.72 2mcg11 SER 157 H 0.02 0.51 -0.39 -0.55 8.46 8.05 2mcg11 SER 157 HA 0.03 0.15 0.83 -0.75 4.49 4.76 2mcg11 SER 157 HB2 0.04 0.08 0.12 -0.04 3.95 4.14 2mcg11 SER 157 HB3 0.03 -0.03 0.11 -0.04 3.93 4.00 2mcg11 PRO 158 HA 0.10 0.21 0.52 -0.51 4.44 4.76 2mcg11 PRO 158 HB2 0.06 -0.00 -0.07 -0.04 2.28 2.23 2mcg11 PRO 158 HB3 0.06 0.03 0.09 -0.04 2.02 2.16 2mcg11 PRO 158 HG2 0.04 0.01 0.04 -0.04 2.03 2.08 2mcg11 PRO 158 HG3 0.04 0.05 0.08 -0.04 2.03 2.15 2mcg11 PRO 158 HD2 0.04 0.09 0.19 -0.04 3.68 3.96 2mcg11 PRO 158 HD3 0.04 0.17 0.27 -0.04 3.65 4.08 2mcg11 VAL 159 H 0.14 0.60 0.29 -0.55 8.24 8.72 2mcg11 VAL 159 HA 0.06 0.06 0.69 -0.75 4.13 4.19 2mcg11 VAL 159 HB 0.08 -0.07 -0.09 -0.04 2.12 2.00 2mcg11 VAL 159 HG13 0.06 0.03 -0.03 -0.04 0.97 0.99 2mcg11 VAL 159 HG23 0.23 0.09 -0.35 -0.04 0.95 0.87 2mcg11 LYS 160 H 0.04 0.05 0.22 -0.55 8.42 8.17 2mcg11 LYS 160 HA 0.07 0.26 0.94 -0.75 4.32 4.84 2mcg11 LYS 160 HB2 0.04 0.06 0.15 -0.04 1.87 2.08 2mcg11 LYS 160 HB3 0.05 -0.01 -0.12 -0.04 1.79 1.67 2mcg11 LYS 160 HG2 0.03 -0.02 -0.10 -0.04 1.46 1.33 2mcg11 LYS 160 HG3 0.02 0.05 -0.64 -0.04 1.46 0.85 2mcg11 LYS 160 HD2 0.01 0.02 -0.01 -0.04 1.69 1.67 2mcg11 LYS 160 HD3 0.02 0.02 0.04 -0.04 1.68 1.72 2mcg11 LYS 160 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.95 2mcg11 LYS 160 HE3 0.02 -0.01 -0.04 -0.04 2.99 2.93 2mcg11 ALA 161 H 0.01 -0.07 0.16 -0.55 8.40 7.95 2mcg11 ALA 161 HA -0.00 0.25 0.73 -0.75 4.34 4.56 2mcg11 ALA 161 HB3 0.01 0.02 0.12 -0.04 1.41 1.52 2mcg11 GLY 162 H -0.07 0.01 -0.09 -0.55 8.43 7.74 2mcg11 GLY 162 HA2 -0.05 0.30 0.83 -0.51 4.01 4.58 2mcg11 GLY 162 HA3 -0.08 0.10 0.33 -0.51 4.01 3.85 2mcg11 VAL 163 H -0.08 0.28 -0.12 -0.55 8.24 7.78 2mcg11 VAL 163 HA -0.24 0.41 0.84 -0.75 4.13 4.39 2mcg11 VAL 163 HB -0.20 -0.04 -0.15 -0.04 2.12 1.69 2mcg11 VAL 163 HG13 -0.01 -0.04 -0.08 -0.04 0.97 0.81 2mcg11 VAL 163 HG23 0.19 -0.00 -0.22 -0.04 0.95 0.88 2mcg11 GLU 164 H -0.49 0.60 0.39 -0.55 8.60 8.55 2mcg11 GLU 164 HA -0.18 0.21 0.99 -0.75 4.29 4.55 2mcg11 GLU 164 HB2 -1.29 -0.03 0.08 -0.04 2.09 0.81 2mcg11 GLU 164 HB3 -0.29 0.05 -0.03 -0.04 1.99 1.68 2mcg11 GLU 164 HG2 -0.33 -0.04 -0.29 -0.04 2.34 1.64 2mcg11 GLU 164 HG3 -0.18 -0.02 -0.05 -0.04 2.34 2.05 2mcg11 THR 165 H -0.05 0.23 0.18 -0.55 8.28 8.09 2mcg11 THR 165 HA 0.04 0.24 1.05 -0.75 4.39 4.96 2mcg11 THR 165 HB 0.03 0.02 0.05 -0.04 4.32 4.38 2mcg11 THR 165 HG23 0.06 0.00 -0.22 -0.04 1.22 1.02 2mcg11 THR 166 H 0.06 0.66 0.32 -0.55 8.28 8.78 2mcg11 THR 166 HA 0.04 0.05 0.71 -0.75 4.39 4.44 2mcg11 THR 166 HB 0.09 0.15 0.35 -0.04 4.32 4.87 2mcg11 THR 166 HG23 0.08 0.02 0.10 -0.04 1.22 1.37 2mcg11 LYS 167 H 0.04 0.10 0.20 -0.55 8.42 8.20 2mcg11 LYS 167 HA 0.05 0.02 0.30 -0.75 4.32 3.93 2mcg11 LYS 167 HB2 0.03 0.15 0.13 -0.04 1.87 2.14 2mcg11 LYS 167 HB3 0.02 -0.02 0.16 -0.04 1.79 1.92 2mcg11 LYS 167 HG2 0.03 -0.02 0.12 -0.04 1.46 1.55 2mcg11 LYS 167 HG3 0.04 -0.06 0.08 -0.04 1.46 1.48 2mcg11 LYS 167 HD2 0.02 -0.05 0.03 -0.04 1.69 1.66 2mcg11 LYS 167 HD3 0.03 0.06 0.00 -0.04 1.68 1.74 2mcg11 LYS 167 HE2 0.01 -0.02 0.03 -0.04 2.99 2.98 2mcg11 LYS 167 HE3 0.01 0.05 0.07 -0.04 2.99 3.08 2mcg11 PRO 168 HA 0.18 0.28 0.54 -0.51 4.44 4.94 2mcg11 PRO 168 HB2 0.17 -0.00 -0.25 -0.04 2.28 2.15 2mcg11 PRO 168 HB3 0.40 -0.06 -0.23 -0.04 2.02 2.10 2mcg11 PRO 168 HG2 -0.12 0.24 -0.21 -0.04 2.03 1.89 2mcg11 PRO 168 HG3 0.07 -0.02 -0.08 -0.04 2.03 1.96 2mcg11 PRO 168 HD2 0.01 0.12 0.16 -0.04 3.68 3.93 2mcg11 PRO 168 HD3 0.02 0.04 0.24 -0.04 3.65 3.91 2mcg11 SER 169 H 0.25 0.50 0.36 -0.55 8.46 9.02 2mcg11 SER 169 HA 0.25 0.11 0.91 -0.75 4.49 5.01 2mcg11 SER 169 HB2 0.08 0.02 -0.00 -0.04 3.95 4.00 2mcg11 SER 169 HB3 0.08 -0.02 0.10 -0.04 3.93 4.05 2mcg11 LYS 170 H 0.03 0.07 0.18 -0.55 8.42 8.15 2mcg11 LYS 170 HA -0.77 0.11 0.35 -0.75 4.32 3.25 2mcg11 LYS 170 HB2 -0.11 -0.07 0.15 -0.04 1.87 1.79 2mcg11 LYS 170 HB3 -0.18 0.15 0.10 -0.04 1.79 1.81 2mcg11 LYS 170 HG2 -0.91 0.11 -0.05 -0.04 1.46 0.56 2mcg11 LYS 170 HG3 -0.22 -0.05 0.05 -0.04 1.46 1.20 2mcg11 LYS 170 HD2 -0.03 -0.03 0.02 -0.04 1.69 1.61 2mcg11 LYS 170 HD3 -0.07 -0.03 0.03 -0.04 1.68 1.57 2mcg11 LYS 170 HE2 -0.09 -0.09 0.08 -0.04 2.99 2.84 2mcg11 LYS 170 HE3 -0.19 0.32 0.08 -0.04 2.99 3.16 2mcg11 GLN 171 H -0.15 0.57 0.27 -0.55 8.47 8.61 2mcg11 GLN 171 HA -0.03 0.19 0.63 -0.75 4.36 4.40 2mcg11 GLN 171 HB2 -0.04 -0.05 0.03 -0.04 2.15 2.05 2mcg11 GLN 171 HB3 -0.02 -0.17 0.16 -0.04 2.02 1.95 2mcg11 GLN 171 HG2 -0.02 -0.00 -0.03 -0.04 2.40 2.30 2mcg11 GLN 171 HG3 -0.01 0.12 -0.11 -0.04 2.39 2.35 2mcg11 GLN 171 HE21 -0.02 -0.02 -0.10 -0.04 6.97 6.79 2mcg11 GLN 171 HE22 -0.02 -0.11 -0.10 -0.04 7.69 7.42 2mcg11 SER 172 H -0.02 0.18 0.07 -0.55 8.46 8.15 2mcg11 SER 172 HA -0.03 0.21 0.46 -0.75 4.49 4.39 2mcg11 SER 172 HB2 -0.01 0.04 0.15 -0.04 3.95 4.08 2mcg11 SER 172 HB3 -0.01 0.01 0.06 -0.04 3.93 3.95 2mcg11 ASN 173 H -0.03 0.04 -0.44 -0.55 8.53 7.55 2mcg11 ASN 173 HA -0.01 0.20 0.61 -0.75 4.76 4.80 2mcg11 ASN 173 HB2 -0.01 0.06 0.14 -0.04 2.88 3.03 2mcg11 ASN 173 HB3 -0.01 0.02 -0.12 -0.04 2.79 2.64 2mcg11 ASN 173 HD21 0.01 -0.01 -0.13 -0.04 7.03 6.86 2mcg11 ASN 173 HD22 0.00 0.10 0.01 -0.04 7.74 7.81 2mcg11 ASN 174 H -0.05 0.21 -0.09 -0.55 8.53 8.05 2mcg11 ASN 174 HA -0.09 0.05 0.33 -0.75 4.76 4.30 2mcg11 ASN 174 HB2 0.00 0.19 -0.17 -0.04 2.88 2.87 2mcg11 ASN 174 HB3 0.02 -0.01 0.05 -0.04 2.79 2.82 2mcg11 ASN 174 HD21 0.00 -0.02 -0.08 -0.04 7.03 6.90 2mcg11 ASN 174 HD22 0.00 0.04 -0.10 -0.04 7.74 7.64 2mcg11 LYS 175 H -0.01 -0.06 -0.46 -0.55 8.42 7.34 2mcg11 LYS 175 HA 0.23 0.27 0.51 -0.75 4.32 4.57 2mcg11 LYS 175 HB2 0.06 -0.10 -0.04 -0.04 1.87 1.75 2mcg11 LYS 175 HB3 0.20 -0.06 -0.00 -0.04 1.79 1.89 2mcg11 LYS 175 HG2 0.09 0.07 -0.18 -0.04 1.46 1.40 2mcg11 LYS 175 HG3 0.04 0.08 -0.09 -0.04 1.46 1.45 2mcg11 LYS 175 HD2 0.03 -0.05 -0.13 -0.04 1.69 1.50 2mcg11 LYS 175 HD3 0.09 0.10 -0.35 -0.04 1.68 1.48 2mcg11 LYS 175 HE2 0.02 0.02 -0.12 -0.04 2.99 2.87 2mcg11 LYS 175 HE3 0.01 -0.00 -0.05 -0.04 2.99 2.90 2mcg11 TYR 176 H 0.75 0.74 0.30 -0.55 8.29 9.53 2mcg11 TYR 176 HA 0.17 0.29 1.06 -0.75 4.56 5.32 2mcg11 TYR 176 HB2 0.82 0.06 -0.08 -0.04 3.06 3.81 2mcg11 TYR 176 HB3 0.39 -0.09 -0.03 -0.04 2.98 3.20 2mcg11 TYR 176 HD2 0.12 0.18 -0.28 -0.04 7.15 7.14 2mcg11 TYR 176 HE2 0.04 -0.01 -0.06 -0.04 6.85 6.78 2mcg11 ALA 177 H 0.29 0.48 0.33 -0.55 8.40 8.95 2mcg11 ALA 177 HA -0.56 0.08 0.44 -0.75 4.34 3.55 2mcg11 ALA 177 HB3 -0.17 0.03 0.28 -0.04 1.41 1.51 2mcg11 ALA 178 H -0.05 0.65 0.39 -0.55 8.40 8.85 2mcg11 ALA 178 HA 0.09 0.14 0.61 -0.75 4.34 4.43 2mcg11 ALA 178 HB3 0.16 0.07 -0.01 -0.04 1.41 1.59 2mcg11 SER 179 H 0.09 0.32 0.31 -0.55 8.46 8.64 2mcg11 SER 179 HA 0.08 0.19 0.61 -0.75 4.49 4.62 2mcg11 SER 179 HB2 0.15 0.23 0.24 -0.04 3.95 4.53 2mcg11 SER 179 HB3 0.09 -0.06 0.28 -0.04 3.93 4.20 2mcg11 SER 180 H 0.17 0.69 0.39 -0.55 8.46 9.16 2mcg11 SER 180 HA 0.13 0.35 1.16 -0.75 4.49 5.37 2mcg11 SER 180 HB2 0.39 -0.08 -0.04 -0.04 3.95 4.17 2mcg11 SER 180 HB3 0.15 -0.06 -0.05 -0.04 3.93 3.93 2mcg11 TYR 181 H 0.12 0.27 0.24 -0.55 8.29 8.38 2mcg11 TYR 181 HA 0.14 0.16 0.67 -0.75 4.56 4.78 2mcg11 TYR 181 HB2 -0.00 0.11 0.16 -0.04 3.06 3.29 2mcg11 TYR 181 HB3 0.08 0.03 -0.54 -0.04 2.98 2.51 2mcg11 TYR 181 HD2 -0.04 0.02 -0.31 -0.04 7.15 6.78 2mcg11 TYR 181 HE2 -0.03 0.01 -0.08 -0.04 6.85 6.70 2mcg11 LEU 182 H -0.21 0.55 0.25 -0.55 8.37 8.42 2mcg11 LEU 182 HA -0.36 0.34 0.80 -0.75 4.35 4.38 2mcg11 LEU 182 HB2 -2.12 -0.05 -0.15 -0.04 1.64 -0.73 2mcg11 LEU 182 HB3 -0.92 -0.06 0.04 -0.04 1.64 0.65 2mcg11 LEU 182 HG -1.08 -0.02 -0.20 -0.04 1.64 0.30 2mcg11 LEU 182 HD13 -0.49 -0.01 -0.17 -0.04 0.93 0.21 2mcg11 LEU 182 HD23 -0.31 0.09 -0.19 -0.04 0.89 0.44 2mcg11 SER 183 H -0.09 0.63 0.27 -0.55 8.46 8.72 2mcg11 SER 183 HA -0.16 0.14 0.98 -0.75 4.49 4.70 2mcg11 SER 183 HB2 -0.07 0.03 0.02 -0.04 3.95 3.89 2mcg11 SER 183 HB3 0.01 -0.04 0.01 -0.04 3.93 3.87 2mcg11 LEU 184 H -0.15 0.82 0.36 -0.55 8.37 8.86 2mcg11 LEU 184 HA -0.05 0.15 0.88 -0.75 4.35 4.57 2mcg11 LEU 184 HB2 -0.03 0.08 -0.28 -0.04 1.64 1.37 2mcg11 LEU 184 HB3 0.03 -0.15 0.03 -0.04 1.64 1.50 2mcg11 LEU 184 HG -0.06 0.06 -0.24 -0.04 1.64 1.36 2mcg11 LEU 184 HD13 -0.19 -0.03 -0.38 -0.04 0.93 0.30 2mcg11 LEU 184 HD23 -0.39 0.00 -0.21 -0.04 0.89 0.25 2mcg11 THR 185 H 0.04 0.06 0.11 -0.55 8.28 7.93 2mcg11 THR 185 HA 0.01 0.31 0.69 -0.75 4.39 4.65 2mcg11 THR 185 HB 0.03 0.15 0.10 -0.04 4.32 4.56 2mcg11 THR 185 HG23 0.03 0.02 0.02 -0.04 1.22 1.26 2mcg11 PRO 186 HA 0.25 0.10 0.30 -0.51 4.44 4.57 2mcg11 PRO 186 HB2 0.09 -0.02 0.06 -0.04 2.28 2.37 2mcg11 PRO 186 HB3 0.13 0.12 0.05 -0.04 2.02 2.28 2mcg11 PRO 186 HG2 0.03 0.07 -0.12 -0.04 2.03 1.97 2mcg11 PRO 186 HG3 0.02 0.23 -0.43 -0.04 2.03 1.81 2mcg11 PRO 186 HD2 0.04 0.04 0.11 -0.04 3.68 3.83 2mcg11 PRO 186 HD3 0.02 0.25 0.04 -0.04 3.65 3.91 2mcg11 GLU 187 H 0.08 0.19 -0.10 -0.55 8.60 8.22 2mcg11 GLU 187 HA 0.07 0.11 0.37 -0.75 4.29 4.08 2mcg11 GLU 187 HB2 0.07 -0.15 0.05 -0.04 2.09 2.02 2mcg11 GLU 187 HB3 0.06 0.06 -0.03 -0.04 1.99 2.04 2mcg11 GLU 187 HG2 0.05 -0.00 0.07 -0.04 2.34 2.42 2mcg11 GLU 187 HG3 0.04 0.02 0.03 -0.04 2.34 2.38 2mcg11 GLN 188 H 0.12 0.02 -0.31 -0.55 8.47 7.75 2mcg11 GLN 188 HA 0.20 0.01 0.20 -0.75 4.36 4.02 2mcg11 GLN 188 HB2 0.13 0.08 0.06 -0.04 2.15 2.38 2mcg11 GLN 188 HB3 0.19 0.02 -0.10 -0.04 2.02 2.09 2mcg11 GLN 188 HG2 0.13 0.03 0.05 -0.04 2.40 2.57 2mcg11 GLN 188 HG3 0.08 -0.05 0.07 -0.04 2.39 2.45 2mcg11 GLN 188 HE21 0.05 0.01 0.01 -0.04 6.97 7.01 2mcg11 GLN 188 HE22 0.09 0.01 0.02 -0.04 7.69 7.77 2mcg11 TRP 189 H 0.32 0.43 -0.43 -0.55 7.97 7.75 2mcg11 TRP 189 HA 0.23 0.00 0.60 -0.75 4.62 4.69 2mcg11 TRP 189 HB2 -0.08 -0.07 -0.09 -0.04 3.23 2.94 2mcg11 TRP 189 HB3 0.01 0.06 0.04 -0.04 3.23 3.30 2mcg11 TRP 189 HD1 0.02 0.01 -0.05 -0.04 7.22 7.16 2mcg11 TRP 189 HE1 0.04 0.01 -0.04 -0.04 10.20 10.17 2mcg11 TRP 189 HE3 -0.22 -0.02 -0.13 -0.04 7.59 7.17 2mcg11 TRP 189 HZ2 0.06 0.07 -0.02 -0.04 7.44 7.52 2mcg11 TRP 189 HZ3 0.21 -0.08 -0.21 -0.04 7.13 7.01 2mcg11 TRP 189 HH2 0.11 -0.01 -0.24 -0.04 7.19 7.01 2mcg11 LYS 190 H 0.14 0.70 0.12 -0.55 8.42 8.82 2mcg11 LYS 190 HA -0.29 -0.01 0.17 -0.75 4.32 3.44 2mcg11 LYS 190 HB2 -0.04 -0.02 0.11 -0.04 1.87 1.88 2mcg11 LYS 190 HB3 -0.09 -0.09 0.04 -0.04 1.79 1.60 2mcg11 LYS 190 HG2 0.09 0.15 -0.11 -0.04 1.46 1.55 2mcg11 LYS 190 HG3 0.03 -0.06 -0.01 -0.04 1.46 1.37 2mcg11 LYS 190 HD2 0.15 0.00 -0.09 -0.04 1.69 1.72 2mcg11 LYS 190 HD3 0.07 -0.04 -0.08 -0.04 1.68 1.59 2mcg11 LYS 190 HE2 0.01 -0.00 -0.03 -0.04 2.99 2.93 2mcg11 LYS 190 HE3 0.05 -0.02 -0.07 -0.04 2.99 2.91 2mcg11 SER 191 H 0.10 0.11 -0.53 -0.55 8.46 7.59 2mcg11 SER 191 HA -0.09 0.05 0.45 -0.75 4.49 4.15 2mcg11 SER 191 HB2 -0.10 -0.06 -0.01 -0.04 3.95 3.74 2mcg11 SER 191 HB3 0.03 0.02 -0.04 -0.04 3.93 3.90 2mcg11 HIS 192 H 0.47 0.15 -0.05 -0.55 8.41 8.43 2mcg11 HIS 192 HA -0.11 0.00 0.40 -0.75 4.63 4.17 2mcg11 HIS 192 HB2 -0.34 0.09 -0.02 -0.04 3.26 2.95 2mcg11 HIS 192 HB3 -0.37 -0.18 0.14 -0.04 3.20 2.75 2mcg11 HIS 192 HD2 -0.11 0.01 -0.05 -0.04 6.97 6.78 2mcg11 HIS 192 HE1 0.10 -0.06 0.08 -0.04 7.75 7.83 2mcg11 ARG 193 H -0.07 -0.04 0.23 -0.55 8.46 8.03 2mcg11 ARG 193 HA -0.10 0.25 0.74 -0.75 4.34 4.48 2mcg11 ARG 193 HB2 -0.06 -0.07 0.18 -0.04 1.90 1.92 2mcg11 ARG 193 HB3 -0.05 -0.01 0.07 -0.04 1.80 1.77 2mcg11 ARG 193 HG2 -0.05 -0.04 0.05 -0.04 1.67 1.59 2mcg11 ARG 193 HG3 -0.07 0.11 0.04 -0.04 1.67 1.72 2mcg11 ARG 193 HD2 -0.06 -0.01 0.01 -0.04 3.22 3.11 2mcg11 ARG 193 HD3 -0.09 0.05 -0.05 -0.04 3.22 3.09 2mcg11 SER 194 H -0.12 -0.01 0.22 -0.55 8.46 8.01 2mcg11 SER 194 HA 0.04 0.29 0.83 -0.75 4.49 4.90 2mcg11 SER 194 HB2 0.05 0.06 -0.03 -0.04 3.95 4.00 2mcg11 SER 194 HB3 0.00 0.12 -0.27 -0.04 3.93 3.74 2mcg11 TYR 195 H 0.36 0.65 0.37 -0.55 8.29 9.11 2mcg11 TYR 195 HA 0.22 0.23 1.13 -0.75 4.56 5.38 2mcg11 TYR 195 HB2 0.46 -0.02 0.03 -0.04 3.06 3.49 2mcg11 TYR 195 HB3 0.46 0.01 0.05 -0.04 2.98 3.46 2mcg11 TYR 195 HD2 0.26 0.02 -0.15 -0.04 7.15 7.24 2mcg11 TYR 195 HE2 0.01 0.07 -0.05 -0.04 6.85 6.84 2mcg11 SER 196 H 0.42 0.53 0.38 -0.55 8.46 9.25 2mcg11 SER 196 HA 0.12 0.44 1.29 -0.75 4.49 5.59 2mcg11 SER 196 HB2 0.10 -0.12 0.06 -0.04 3.95 3.95 2mcg11 SER 196 HB3 0.01 0.02 -0.29 -0.04 3.93 3.63 2mcg11 CYS 197 H -0.14 0.43 0.22 -0.55 8.50 8.47 2mcg11 CYS 197 HA -0.88 0.25 0.92 -0.75 4.58 4.12 2mcg11 CYS 197 HB2 -1.35 -0.03 -0.11 -0.04 2.97 1.44 2mcg11 CYS 197 HB3 -0.39 -0.05 0.07 -0.04 2.97 2.56 2mcg11 GLN 198 H -0.27 0.91 0.35 -0.55 8.47 8.91 2mcg11 GLN 198 HA -0.09 0.38 1.00 -0.75 4.36 4.90 2mcg11 GLN 198 HB2 -0.05 -0.04 -0.04 -0.04 2.15 1.98 2mcg11 GLN 198 HB3 -0.06 -0.01 0.00 -0.04 2.02 1.90 2mcg11 GLN 198 HG2 -0.03 -0.06 -0.28 -0.04 2.40 1.99 2mcg11 GLN 198 HG3 -0.02 0.12 -0.16 -0.04 2.39 2.28 2mcg11 GLN 198 HE21 0.01 -0.02 -0.14 -0.04 6.97 6.78 2mcg11 GLN 198 HE22 -0.00 -0.02 -0.19 -0.04 7.69 7.44 2mcg11 VAL 199 H -0.05 0.75 0.32 -0.55 8.24 8.71 2mcg11 VAL 199 HA -0.03 0.39 1.00 -0.75 4.13 4.74 2mcg11 VAL 199 HB -0.01 -0.08 0.10 -0.04 2.12 2.09 2mcg11 VAL 199 HG13 0.06 -0.00 -0.14 -0.04 0.97 0.84 2mcg11 VAL 199 HG23 -0.08 -0.00 -0.28 -0.04 0.95 0.54 2mcg11 THR 200 H 0.03 0.40 0.36 -0.55 8.28 8.52 2mcg11 THR 200 HA 0.04 0.26 1.28 -0.75 4.39 5.22 2mcg11 THR 200 HB 0.03 -0.08 0.04 -0.04 4.32 4.27 2mcg11 THR 200 HG23 0.02 -0.00 -0.19 -0.04 1.22 1.00 2mcg11 HIS 201 H 0.09 0.60 0.28 -0.55 8.41 8.84 2mcg11 HIS 201 HA -0.03 0.08 0.75 -0.75 4.63 4.68 2mcg11 HIS 201 HB2 0.00 0.05 -0.15 -0.04 3.26 3.12 2mcg11 HIS 201 HB3 0.04 -0.04 0.13 -0.04 3.20 3.28 2mcg11 HIS 201 HD2 -0.25 0.66 0.21 -0.04 6.97 7.55 2mcg11 HIS 201 HE1 0.05 -0.20 -0.06 -0.04 7.75 7.49 2mcg11 GLU 202 H -0.12 0.22 0.13 -0.55 8.60 8.28 2mcg11 GLU 202 HA -0.13 -0.01 0.46 -0.75 4.29 3.86 2mcg11 GLU 202 HB2 -0.68 0.11 -0.52 -0.04 2.09 0.95 2mcg11 GLU 202 HB3 -0.14 -0.00 0.35 -0.04 1.99 2.15 2mcg11 GLU 202 HG2 -0.37 0.00 -0.00 -0.04 2.34 1.93 2mcg11 GLU 202 HG3 -0.13 -0.07 0.08 -0.04 2.34 2.18 2mcg11 GLY 203 H -0.04 0.11 0.11 -0.55 8.43 8.06 2mcg11 GLY 203 HA2 -0.01 -0.01 0.33 -0.51 4.01 3.82 2mcg11 GLY 203 HA3 -0.01 0.02 0.27 -0.51 4.01 3.78 2mcg11 SER 204 H 0.03 1.21 0.67 -0.55 8.46 9.83 2mcg11 SER 204 HA 0.02 0.10 0.92 -0.75 4.49 4.78 2mcg11 SER 204 HB2 0.07 0.11 0.07 -0.04 3.95 4.17 2mcg11 SER 204 HB3 0.04 -0.04 -0.10 -0.04 3.93 3.79 2mcg11 THR 205 H 0.02 0.18 0.12 -0.55 8.28 8.06 2mcg11 THR 205 HA 0.03 0.34 1.16 -0.75 4.39 5.17 2mcg11 THR 205 HB 0.01 0.08 -0.07 -0.04 4.32 4.30 2mcg11 THR 205 HG23 0.02 -0.04 -0.18 -0.04 1.22 0.98 2mcg11 VAL 206 H 0.01 0.23 0.22 -0.55 8.24 8.15 2mcg11 VAL 206 HA -0.01 0.05 0.57 -0.75 4.13 3.98 2mcg11 VAL 206 HB -0.02 -0.03 0.06 -0.04 2.12 2.08 2mcg11 VAL 206 HG13 -0.03 -0.01 -0.09 -0.04 0.97 0.79 2mcg11 VAL 206 HG23 0.01 0.02 0.00 -0.04 0.95 0.93 2mcg11 GLU 207 H -0.02 0.22 0.20 -0.55 8.60 8.46 2mcg11 GLU 207 HA -0.06 0.31 0.93 -0.75 4.29 4.71 2mcg11 GLU 207 HB2 -0.02 0.01 -0.10 -0.04 2.09 1.94 2mcg11 GLU 207 HB3 -0.01 -0.02 0.07 -0.04 1.99 1.99 2mcg11 GLU 207 HG2 -0.00 -0.05 -0.38 -0.04 2.34 1.87 2mcg11 GLU 207 HG3 -0.02 0.06 -0.32 -0.04 2.34 2.03 2mcg11 LYS 208 H -0.08 0.47 0.25 -0.55 8.42 8.51 2mcg11 LYS 208 HA -0.02 0.31 1.16 -0.75 4.32 5.02 2mcg11 LYS 208 HB2 -0.03 -0.04 -0.07 -0.04 1.87 1.69 2mcg11 LYS 208 HB3 -0.02 0.02 0.19 -0.04 1.79 1.94 2mcg11 LYS 208 HG2 -0.08 -0.04 -0.13 -0.04 1.46 1.16 2mcg11 LYS 208 HG3 -0.06 0.00 -0.02 -0.04 1.46 1.34 2mcg11 LYS 208 HD2 -0.04 -0.03 -0.33 -0.04 1.69 1.25 2mcg11 LYS 208 HD3 -0.06 -0.00 -0.14 -0.04 1.68 1.44 2mcg11 LYS 208 HE2 -0.03 -0.01 0.04 -0.04 2.99 2.94 2mcg11 LYS 208 HE3 -0.03 -0.03 0.00 -0.04 2.99 2.89 2mcg11 THR 209 H 0.02 0.21 0.21 -0.55 8.28 8.18 2mcg11 THR 209 HA 0.11 0.38 1.12 -0.75 4.39 5.24 2mcg11 THR 209 HB 0.07 0.04 -0.16 -0.04 4.32 4.23 2mcg11 THR 209 HG23 0.06 -0.01 -0.13 -0.04 1.22 1.10 2mcg11 VAL 210 H 0.24 0.64 0.40 -0.55 8.24 8.97 2mcg11 VAL 210 HA 0.18 0.14 0.73 -0.75 4.13 4.42 2mcg11 VAL 210 HB 0.34 0.07 0.13 -0.04 2.12 2.62 2mcg11 VAL 210 HG13 0.18 0.01 -0.25 -0.04 0.97 0.88 2mcg11 VAL 210 HG23 0.63 -0.00 -0.15 -0.04 0.95 1.39 2mcg11 ALA 211 H 0.20 0.22 0.19 -0.55 8.40 8.48 2mcg11 ALA 211 HA -0.04 0.21 0.78 -0.75 4.34 4.54 2mcg11 ALA 211 HB3 0.02 0.01 0.06 -0.04 1.41 1.46 2mcg11 PRO 212 HA -0.29 0.08 0.54 -0.51 4.44 4.25 2mcg11 PRO 212 HB2 -0.35 -0.02 -0.07 -0.04 2.28 1.80 2mcg11 PRO 212 HB3 -1.19 -0.00 -0.10 -0.04 2.02 0.69 2mcg11 PRO 212 HG2 -0.35 0.19 -0.01 -0.04 2.03 1.83 2mcg11 PRO 212 HG3 -0.80 0.19 -0.17 -0.04 2.03 1.20 2mcg11 PRO 212 HD2 -0.20 0.16 0.22 -0.04 3.68 3.81 2mcg11 PRO 212 HD3 -0.33 0.06 -0.07 -0.04 3.65 3.28 2mcg11 THR 213 H 0.08 0.23 0.10 -0.55 8.28 8.15 2mcg11 THR 213 HA 0.02 0.05 0.49 -0.75 4.39 4.19 2mcg11 THR 213 HB 0.11 0.09 -0.41 -0.04 4.32 4.07 2mcg11 THR 213 HG23 0.10 -0.07 -0.31 -0.04 1.22 0.90 2mcg11 GLU 214 H 0.03 0.17 0.15 -0.55 8.60 8.40 2mcg11 GLU 214 HA 0.07 0.16 0.33 -0.75 4.29 4.10 2mcg11 GLU 214 HB2 0.03 -0.10 0.10 -0.04 2.09 2.08 2mcg11 GLU 214 HB3 0.04 -0.47 -0.02 -0.04 1.99 1.49 2mcg11 GLU 214 HG2 0.02 0.15 0.05 -0.04 2.34 2.52 2mcg11 GLU 214 HG3 0.03 0.05 0.05 -0.04 2.34 2.43 2mcg11 CYS 215 H 0.05 0.10 -0.08 -0.55 8.50 8.02 2mcg11 CYS 215 HA 0.04 0.03 0.27 -0.75 4.58 4.16 2mcg11 CYS 215 HB2 0.07 0.00 -0.10 -0.04 2.97 2.90 2mcg11 CYS 215 HB3 0.08 0.20 -1.12 -0.04 2.97 2.09 2mcg11 SER 216 H 0.04 -0.14 -0.66 -0.55 8.46 7.15 2mcg11 SER 216 HA 0.02 0.03 0.03 -0.75 4.49 3.81 2mcg11 SER 216 HB2 0.04 0.29 -0.55 -0.04 3.95 3.68 2mcg11 SER 216 HB3 0.03 -0.07 0.04 -0.04 3.93 3.89