============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 2 1.040 -36.019 -8.090 -12.618 -99.200 -91.000 TRP6 2 1.020 -37.293 -7.005 -10.944 -99.200 -91.000 TYR 4 0.840 -41.797 -7.842 -7.390 -99.200 -91.000 TRP 13 1.040 -36.640 -12.520 -8.655 -99.200 -91.000 TRP6 13 1.020 -36.933 -10.846 -7.006 -99.200 -91.000 TYR 17 0.840 -30.781 -10.831 -11.719 -99.200 -91.000 HIS 37 0.900 -30.060 0.334 23.792 -99.200 -91.000 TYR 48 0.840 -34.373 13.433 3.488 -99.200 -91.000 HIS 61 0.900 -39.909 -2.870 -10.589 -99.200 -91.000 PHE 63 1.000 -45.328 5.483 -7.202 -99.200 -91.000 HIS 64 0.900 -38.270 3.155 -8.669 -99.200 -91.000 PHE 67 1.000 -36.388 13.350 -3.664 -99.200 -91.000 PHE 81 1.000 -26.182 5.004 8.101 -99.200 -91.000 TYR 85 0.840 -24.537 6.131 4.035 -99.200 -91.000 PHE 88 1.000 -30.531 6.238 -4.561 -99.200 -91.000 PHE 90 1.000 -40.952 9.708 -2.360 -99.200 -91.000 HIS 91 0.900 -38.386 2.084 -3.798 -99.200 -91.000 PHE 92 1.000 -44.998 5.304 -1.306 -99.200 -91.000 HIS 93 0.900 -40.882 -2.603 -2.458 -99.200 -91.000 TRP 94 1.040 -48.781 -2.037 -4.900 -99.200 -91.000 TRP6 94 1.020 -47.399 -0.311 -5.756 -99.200 -91.000 HIS 100 0.900 -51.321 -11.313 2.083 -99.200 -91.000 HIS 104 0.900 -37.377 -4.706 5.793 -99.200 -91.000 TYR 111 0.840 -47.347 -3.365 10.152 -99.200 -91.000 HIS 116 0.900 -38.333 -0.404 0.932 -99.200 -91.000 HIS 119 0.900 -31.400 8.223 2.501 -99.200 -91.000 TRP 120 1.040 -25.574 8.475 -4.079 -99.200 -91.000 TRP6 120 1.020 -23.392 9.358 -4.320 -99.200 -91.000 TYR 125 0.840 -17.893 3.864 -1.742 -99.200 -91.000 PHE 173 1.000 -43.495 14.307 -6.650 -99.200 -91.000 PHE 176 1.000 -43.126 14.969 -1.207 -99.200 -91.000 PHE 188 1.000 -32.040 3.754 14.336 -99.200 -91.000 TRP 189 1.040 -36.496 -2.936 15.787 -99.200 -91.000 TRP6 189 1.020 -38.747 -2.645 15.132 -99.200 -91.000 TYR 191 0.840 -32.008 -6.025 7.956 -99.200 -91.000 HIS 197 0.900 -35.728 -3.845 -7.886 -99.200 -91.000 TYR 201 0.840 -24.973 -4.854 -7.351 -99.200 -91.000 TRP 206 1.040 -32.388 -2.945 4.183 -99.200 -91.000 TRP6 206 1.020 -34.242 -1.932 3.119 -99.200 -91.000 PHE 223 1.000 -49.236 3.514 -3.208 -99.200 -91.000 HIS 240 0.900 -48.085 -9.854 -6.899 -99.200 -91.000 PHE 257 1.000 -37.245 0.294 19.661 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2foyB1 ASP 4 HA 0.04 -0.07 0.14 -0.75 4.63 3.99 2foyB1 ASP 4 HB2 0.24 0.00 -0.05 -0.04 2.71 2.86 2foyB1 ASP 4 HB3 0.10 -0.02 0.05 -0.04 2.70 2.80 2foyB1 TRP 5 H -0.28 0.34 0.15 -0.55 7.97 7.64 2foyB1 TRP 5 HA 0.07 0.14 0.79 -0.75 4.62 4.86 2foyB1 TRP 5 HB2 -0.41 0.07 0.09 -0.04 3.23 2.95 2foyB1 TRP 5 HB3 -0.13 -0.00 -0.15 -0.04 3.23 2.90 2foyB1 TRP 5 HD1 -0.10 -0.01 -0.07 -0.04 7.22 7.00 2foyB1 TRP 5 HE1 -0.21 -0.01 -0.04 -0.04 10.20 9.90 2foyB1 TRP 5 HE3 -0.41 0.17 -0.17 -0.04 7.59 7.14 2foyB1 TRP 5 HZ2 -0.56 -0.00 -0.05 -0.04 7.44 6.79 2foyB1 TRP 5 HZ3 -0.76 0.03 -0.11 -0.04 7.13 6.26 2foyB1 TRP 5 HH2 -1.71 -0.02 -0.07 -0.04 7.19 5.35 2foyB1 GLY 6 H 0.49 0.75 0.22 -0.55 8.43 9.35 2foyB1 GLY 6 HA2 -0.37 0.17 0.55 -0.51 4.01 3.85 2foyB1 GLY 6 HA3 -0.05 -0.13 0.31 -0.51 4.01 3.63 2foyB1 TYR 7 H 0.17 0.10 0.15 -0.55 8.29 8.16 2foyB1 TYR 7 HA 0.19 0.24 0.92 -0.75 4.56 5.15 2foyB1 TYR 7 HB2 0.04 0.04 0.11 -0.04 3.06 3.21 2foyB1 TYR 7 HB3 0.27 -0.02 0.11 -0.04 2.98 3.30 2foyB1 TYR 7 HD2 0.09 0.01 -0.04 -0.04 7.15 7.17 2foyB1 TYR 7 HE2 0.22 -0.00 -0.19 -0.04 6.85 6.83 2foyB1 ASP 8 H 0.13 -0.05 -0.12 -0.55 8.40 7.82 2foyB1 ASP 8 HA 0.17 0.20 0.49 -0.75 4.63 4.74 2foyB1 ASP 8 HB2 0.06 -0.09 0.02 -0.04 2.71 2.67 2foyB1 ASP 8 HB3 0.07 -0.14 0.21 -0.04 2.70 2.79 2foyB1 ASP 9 H 0.05 0.09 0.14 -0.55 8.40 8.13 2foyB1 ASP 9 HA 0.02 0.21 0.66 -0.75 4.63 4.76 2foyB1 ASP 9 HB2 0.03 -0.04 0.09 -0.04 2.71 2.75 2foyB1 ASP 9 HB3 0.01 0.06 0.02 -0.04 2.70 2.76 2foyB1 LYS 10 H 0.04 0.00 0.04 -0.55 8.42 7.95 2foyB1 LYS 10 HA 0.03 0.11 0.37 -0.75 4.32 4.08 2foyB1 LYS 10 HB2 0.04 -0.10 0.07 -0.04 1.87 1.84 2foyB1 LYS 10 HB3 0.04 0.11 -0.07 -0.04 1.79 1.82 2foyB1 LYS 10 HG2 0.03 -0.08 0.06 -0.04 1.46 1.42 2foyB1 LYS 10 HG3 0.02 0.03 0.02 -0.04 1.46 1.49 2foyB1 LYS 10 HD2 0.02 0.05 0.00 -0.04 1.69 1.72 2foyB1 LYS 10 HD3 0.02 0.02 0.02 -0.04 1.68 1.70 2foyB1 LYS 10 HE2 0.02 -0.03 -0.00 -0.04 2.99 2.94 2foyB1 LYS 10 HE3 0.01 0.01 -0.00 -0.04 2.99 2.97 2foyB1 ASN 11 H 0.08 -0.06 -0.39 -0.55 8.53 7.62 2foyB1 ASN 11 HA 0.16 0.30 0.76 -0.75 4.76 5.24 2foyB1 ASN 11 HB2 0.25 0.06 0.15 -0.04 2.88 3.30 2foyB1 ASN 11 HB3 0.12 0.10 -0.18 -0.04 2.79 2.78 2foyB1 ASN 11 HD21 -0.02 0.00 -0.23 -0.04 7.03 6.74 2foyB1 ASN 11 HD22 0.03 0.11 -0.29 -0.04 7.74 7.55 2foyB1 GLY 12 H 0.05 0.21 -0.56 -0.55 8.43 7.58 2foyB1 GLY 12 HA2 0.01 0.16 0.18 -0.51 4.01 3.86 2foyB1 GLY 12 HA3 -0.08 0.21 0.24 -0.51 4.01 3.87 2foyB1 PRO 13 HA -2.70 0.07 0.44 -0.51 4.44 1.75 2foyB1 PRO 13 HB2 -0.50 -0.01 0.08 -0.04 2.28 1.80 2foyB1 PRO 13 HB3 -0.98 0.10 0.14 -0.04 2.02 1.24 2foyB1 PRO 13 HG2 -0.31 0.09 0.16 -0.04 2.03 1.93 2foyB1 PRO 13 HG3 -1.24 0.10 0.14 -0.04 2.03 0.98 2foyB1 PRO 13 HD2 -0.26 0.09 0.22 -0.04 3.68 3.68 2foyB1 PRO 13 HD3 -0.25 0.16 0.30 -0.04 3.65 3.83 2foyB1 GLU 14 H -0.29 0.10 -0.34 -0.55 8.60 7.52 2foyB1 GLU 14 HA -0.14 0.12 0.38 -0.75 4.29 3.89 2foyB1 GLU 14 HB2 -0.08 0.02 -0.05 -0.04 2.09 1.94 2foyB1 GLU 14 HB3 -0.07 0.00 0.04 -0.04 1.99 1.93 2foyB1 GLU 14 HG2 -0.08 -0.01 0.01 -0.04 2.34 2.22 2foyB1 GLU 14 HG3 -0.14 0.03 0.00 -0.04 2.34 2.20 2foyB1 GLN 15 H -0.10 0.46 -0.37 -0.55 8.47 7.91 2foyB1 GLN 15 HA 0.04 0.19 0.94 -0.75 4.36 4.79 2foyB1 GLN 15 HB2 0.07 -0.05 0.15 -0.04 2.15 2.28 2foyB1 GLN 15 HB3 0.03 -0.01 -0.08 -0.04 2.02 1.92 2foyB1 GLN 15 HG2 0.05 0.09 -0.03 -0.04 2.40 2.47 2foyB1 GLN 15 HG3 0.03 -0.03 -0.11 -0.04 2.39 2.23 2foyB1 GLN 15 HE21 0.16 -0.02 0.06 -0.04 6.97 7.13 2foyB1 GLN 15 HE22 0.09 0.16 0.16 -0.04 7.69 8.06 2foyB1 TRP 16 H 0.10 0.38 -0.22 -0.55 7.97 7.68 2foyB1 TRP 16 HA 0.11 0.08 0.38 -0.75 4.62 4.43 2foyB1 TRP 16 HB2 -0.02 0.14 0.07 -0.04 3.23 3.39 2foyB1 TRP 16 HB3 -0.01 -0.04 -0.02 -0.04 3.23 3.12 2foyB1 TRP 16 HD1 0.10 -0.03 -0.19 -0.04 7.22 7.05 2foyB1 TRP 16 HE1 0.12 0.25 0.12 -0.04 10.20 10.65 2foyB1 TRP 16 HE3 -0.15 0.02 -0.03 -0.04 7.59 7.39 2foyB1 TRP 16 HZ2 -0.44 0.06 -0.03 -0.04 7.44 6.99 2foyB1 TRP 16 HZ3 -0.12 0.20 -0.02 -0.04 7.13 7.15 2foyB1 TRP 16 HH2 -0.07 0.05 0.06 -0.04 7.19 7.18 2foyB1 SER 17 H 0.17 0.16 -0.44 -0.55 8.46 7.81 2foyB1 SER 17 HA 0.14 0.26 0.08 -0.75 4.49 4.22 2foyB1 SER 17 HB2 0.06 -0.00 -0.04 -0.04 3.95 3.93 2foyB1 SER 17 HB3 0.08 0.04 -0.06 -0.04 3.93 3.96 2foyB1 LYS 18 H 0.11 0.37 -0.50 -0.55 8.42 7.85 2foyB1 LYS 18 HA 0.02 0.03 0.35 -0.75 4.32 3.96 2foyB1 LYS 18 HB2 0.06 0.10 0.09 -0.04 1.87 2.08 2foyB1 LYS 18 HB3 0.02 -0.04 -0.01 -0.04 1.79 1.72 2foyB1 LYS 18 HG2 0.03 -0.05 0.00 -0.04 1.46 1.41 2foyB1 LYS 18 HG3 0.06 0.01 0.04 -0.04 1.46 1.52 2foyB1 LYS 18 HD2 0.05 0.08 0.05 -0.04 1.69 1.83 2foyB1 LYS 18 HD3 0.03 -0.04 0.01 -0.04 1.68 1.64 2foyB1 LYS 18 HE2 0.02 -0.04 0.00 -0.04 2.99 2.94 2foyB1 LYS 18 HE3 0.03 0.01 0.03 -0.04 2.99 3.02 2foyB1 LEU 19 H 0.02 0.23 -0.15 -0.55 8.37 7.93 2foyB1 LEU 19 HA -0.21 0.12 0.73 -0.75 4.35 4.22 2foyB1 LEU 19 HB2 -0.26 0.07 0.05 -0.04 1.64 1.46 2foyB1 LEU 19 HB3 -0.74 -0.04 0.02 -0.04 1.64 0.85 2foyB1 LEU 19 HG -0.02 -0.04 -0.05 -0.04 1.64 1.49 2foyB1 LEU 19 HD13 0.04 0.01 -0.01 -0.04 0.93 0.93 2foyB1 LEU 19 HD23 -0.10 -0.00 -0.02 -0.04 0.89 0.72 2foyB1 TYR 20 H 0.05 0.51 -0.16 -0.55 8.29 8.14 2foyB1 TYR 20 HA -0.05 0.17 0.82 -0.75 4.56 4.74 2foyB1 TYR 20 HB2 -0.10 0.01 0.05 -0.04 3.06 2.98 2foyB1 TYR 20 HB3 -0.15 -0.01 -0.02 -0.04 2.98 2.77 2foyB1 TYR 20 HD2 -0.20 0.08 -0.01 -0.04 7.15 6.98 2foyB1 TYR 20 HE2 -0.19 0.01 -0.08 -0.04 6.85 6.55 2foyB1 PRO 21 HA 0.05 0.14 0.43 -0.51 4.44 4.54 2foyB1 PRO 21 HB2 0.03 -0.03 -0.01 -0.04 2.28 2.22 2foyB1 PRO 21 HB3 0.02 0.00 0.06 -0.04 2.02 2.06 2foyB1 PRO 21 HG2 -0.01 -0.02 0.01 -0.04 2.03 1.98 2foyB1 PRO 21 HG3 -0.00 0.18 0.01 -0.04 2.03 2.17 2foyB1 PRO 21 HD2 0.00 0.04 0.08 -0.04 3.68 3.76 2foyB1 PRO 21 HD3 -0.06 0.27 -0.47 -0.04 3.65 3.34 2foyB1 ILE 22 H 0.07 0.14 -0.40 -0.55 8.25 7.51 2foyB1 ILE 22 HA 0.05 0.03 0.33 -0.75 4.18 3.84 2foyB1 ILE 22 HB 0.07 -0.04 0.03 -0.04 1.89 1.91 2foyB1 ILE 22 HG12 0.09 -0.00 0.00 -0.04 1.49 1.54 2foyB1 ILE 22 HG13 0.06 0.02 0.06 -0.04 1.21 1.32 2foyB1 ILE 22 HG23 0.03 0.02 -0.23 -0.04 0.93 0.71 2foyB1 ILE 22 HD13 0.06 -0.02 0.05 -0.04 0.88 0.93 2foyB1 ALA 23 H 0.09 0.52 -0.52 -0.55 8.40 7.94 2foyB1 ALA 23 HA 0.09 0.07 0.30 -0.75 4.34 4.04 2foyB1 ALA 23 HB3 0.16 -0.01 -0.07 -0.04 1.41 1.46 2foyB1 ASN 24 H 0.06 0.40 -0.37 -0.55 8.53 8.07 2foyB1 ASN 24 HA 0.03 0.18 0.74 -0.75 4.76 4.95 2foyB1 ASN 24 HB2 0.04 0.09 0.09 -0.04 2.88 3.05 2foyB1 ASN 24 HB3 0.02 -0.05 0.18 -0.04 2.79 2.91 2foyB1 ASN 24 HD21 0.03 -0.02 -0.03 -0.04 7.03 6.96 2foyB1 ASN 24 HD22 0.03 0.00 -0.00 -0.04 7.74 7.73 2foyB1 GLY 25 H 0.05 0.49 -0.47 -0.55 8.43 7.94 2foyB1 GLY 25 HA2 0.04 0.01 0.38 -0.51 4.01 3.93 2foyB1 GLY 25 HA3 0.05 0.02 0.32 -0.51 4.01 3.89 2foyB1 ASN 26 H 0.04 0.08 0.13 -0.55 8.53 8.24 2foyB1 ASN 26 HA 0.03 0.24 0.76 -0.75 4.76 5.05 2foyB1 ASN 26 HB2 0.04 -0.04 0.08 -0.04 2.88 2.92 2foyB1 ASN 26 HB3 0.04 0.09 0.19 -0.04 2.79 3.06 2foyB1 ASN 26 HD21 0.02 -0.02 0.01 -0.04 7.03 7.00 2foyB1 ASN 26 HD22 0.03 -0.01 0.04 -0.04 7.74 7.75 2foyB1 ASN 27 H 0.07 0.01 -0.23 -0.55 8.53 7.84 2foyB1 ASN 27 HA 0.11 0.32 0.81 -0.75 4.76 5.24 2foyB1 ASN 27 HB2 0.09 -0.08 0.03 -0.04 2.88 2.88 2foyB1 ASN 27 HB3 0.12 0.07 0.03 -0.04 2.79 2.96 2foyB1 ASN 27 HD21 0.06 -0.02 -0.07 -0.04 7.03 6.96 2foyB1 ASN 27 HD22 0.06 -0.06 -0.05 -0.04 7.74 7.66 2foyB1 GLN 28 H 0.07 0.22 -0.29 -0.55 8.47 7.93 2foyB1 GLN 28 HA 0.10 0.08 0.56 -0.75 4.36 4.35 2foyB1 GLN 28 HB2 0.04 0.04 -0.06 -0.04 2.15 2.13 2foyB1 GLN 28 HB3 0.05 0.10 -0.05 -0.04 2.02 2.07 2foyB1 GLN 28 HG2 0.06 -0.26 -0.22 -0.04 2.40 1.93 2foyB1 GLN 28 HG3 0.05 0.25 -0.09 -0.04 2.39 2.56 2foyB1 GLN 28 HE21 0.06 0.27 -0.09 -0.04 6.97 7.17 2foyB1 GLN 28 HE22 0.07 -0.24 -0.23 -0.04 7.69 7.26 2foyB1 SER 29 H 0.09 0.24 0.08 -0.55 8.46 8.32 2foyB1 SER 29 HA -0.03 0.16 0.62 -0.75 4.49 4.49 2foyB1 SER 29 HB2 0.13 0.19 -0.11 -0.04 3.95 4.11 2foyB1 SER 29 HB3 -0.40 -0.10 -0.03 -0.04 3.93 3.36 2foyB1 PRO 30 HA -0.60 0.01 0.24 -0.51 4.44 3.58 2foyB1 PRO 30 HB2 -0.84 0.01 -0.29 -0.04 2.28 1.11 2foyB1 PRO 30 HB3 -0.93 -0.09 -0.11 -0.04 2.02 0.86 2foyB1 PRO 30 HG2 -0.23 -0.00 -0.39 -0.04 2.03 1.37 2foyB1 PRO 30 HG3 -0.24 0.05 -0.11 -0.04 2.03 1.68 2foyB1 PRO 30 HD2 -0.10 0.34 0.11 -0.04 3.68 3.98 2foyB1 PRO 30 HD3 -0.13 -0.01 0.16 -0.04 3.65 3.63 2foyB1 VAL 31 H -0.39 0.15 0.13 -0.55 8.24 7.57 2foyB1 VAL 31 HA -0.18 0.19 0.79 -0.75 4.13 4.18 2foyB1 VAL 31 HB -0.26 -0.01 0.06 -0.04 2.12 1.87 2foyB1 VAL 31 HG13 -0.18 0.04 -0.26 -0.04 0.97 0.52 2foyB1 VAL 31 HG23 -0.64 -0.04 -0.27 -0.04 0.95 -0.05 2foyB1 ASP 32 H -0.15 0.23 0.12 -0.55 8.40 8.06 2foyB1 ASP 32 HA -0.11 0.11 0.79 -0.75 4.63 4.68 2foyB1 ASP 32 HB2 -0.08 0.07 -0.02 -0.04 2.71 2.64 2foyB1 ASP 32 HB3 -0.10 0.03 0.06 -0.04 2.70 2.65 2foyB1 ILE 33 H -0.19 0.72 0.30 -0.55 8.25 8.53 2foyB1 ILE 33 HA -0.31 0.20 0.81 -0.75 4.18 4.12 2foyB1 ILE 33 HB -0.60 -0.02 0.25 -0.04 1.89 1.48 2foyB1 ILE 33 HG12 -0.37 0.04 -0.16 -0.04 1.49 0.96 2foyB1 ILE 33 HG13 -0.24 0.06 -0.12 -0.04 1.21 0.86 2foyB1 ILE 33 HG23 -1.17 -0.01 -0.20 -0.04 0.93 -0.50 2foyB1 ILE 33 HD13 -0.34 -0.00 -0.09 -0.04 0.88 0.40 2foyB1 LYS 34 H -0.19 0.34 0.06 -0.55 8.42 8.08 2foyB1 LYS 34 HA -0.11 0.02 0.74 -0.75 4.32 4.22 2foyB1 LYS 34 HB2 -0.10 0.11 0.17 -0.04 1.87 2.01 2foyB1 LYS 34 HB3 -0.07 -0.06 0.06 -0.04 1.79 1.69 2foyB1 LYS 34 HG2 -0.08 -0.02 -0.11 -0.04 1.46 1.20 2foyB1 LYS 34 HG3 -0.06 0.08 -0.01 -0.04 1.46 1.43 2foyB1 LYS 34 HD2 -0.04 0.02 0.00 -0.04 1.69 1.63 2foyB1 LYS 34 HD3 -0.05 -0.07 0.08 -0.04 1.68 1.59 2foyB1 LYS 34 HE2 -0.04 0.05 -0.05 -0.04 2.99 2.91 2foyB1 LYS 34 HE3 -0.03 0.05 -0.04 -0.04 2.99 2.93 2foyB1 THR 35 H -0.08 0.22 0.14 -0.55 8.28 8.02 2foyB1 THR 35 HA -0.04 0.09 0.27 -0.75 4.39 3.95 2foyB1 THR 35 HB 0.15 0.05 0.03 -0.04 4.32 4.51 2foyB1 THR 35 HG23 0.11 0.02 0.03 -0.04 1.22 1.34 2foyB1 SER 36 H -0.02 0.04 -0.24 -0.55 8.46 7.69 2foyB1 SER 36 HA 0.01 0.14 0.49 -0.75 4.49 4.37 2foyB1 SER 36 HB2 -0.00 0.05 0.12 -0.04 3.95 4.07 2foyB1 SER 36 HB3 0.00 -0.04 0.07 -0.04 3.93 3.93 2foyB1 GLU 37 H -0.04 0.41 -0.38 -0.55 8.60 8.04 2foyB1 GLU 37 HA -0.02 0.20 0.87 -0.75 4.29 4.59 2foyB1 GLU 37 HB2 -0.04 -0.15 0.02 -0.04 2.09 1.88 2foyB1 GLU 37 HB3 -0.06 0.02 0.06 -0.04 1.99 1.97 2foyB1 GLU 37 HG2 -0.04 -0.04 0.05 -0.04 2.34 2.28 2foyB1 GLU 37 HG3 -0.03 0.04 0.16 -0.04 2.34 2.47 2foyB1 THR 38 H -0.02 0.16 -0.14 -0.55 8.28 7.73 2foyB1 THR 38 HA -0.02 0.21 0.63 -0.75 4.39 4.46 2foyB1 THR 38 HB 0.09 -0.02 -0.05 -0.04 4.32 4.30 2foyB1 THR 38 HG23 -0.14 -0.01 -0.11 -0.04 1.22 0.92 2foyB1 LYS 39 H 0.01 0.43 0.34 -0.55 8.42 8.64 2foyB1 LYS 39 HA 0.00 0.18 0.99 -0.75 4.32 4.73 2foyB1 LYS 39 HB2 -0.00 0.02 0.03 -0.04 1.87 1.87 2foyB1 LYS 39 HB3 -0.00 0.08 -0.06 -0.04 1.79 1.76 2foyB1 LYS 39 HG2 0.00 0.04 -0.01 -0.04 1.46 1.45 2foyB1 LYS 39 HG3 -0.02 -0.09 -0.09 -0.04 1.46 1.23 2foyB1 LYS 39 HD2 -0.01 0.01 -0.07 -0.04 1.69 1.58 2foyB1 LYS 39 HD3 0.00 0.03 -0.04 -0.04 1.68 1.63 2foyB1 LYS 39 HE2 0.01 0.01 -0.08 -0.04 2.99 2.88 2foyB1 LYS 39 HE3 -0.01 -0.05 -0.08 -0.04 2.99 2.81 2foyB1 HIS 40 H 0.06 0.17 0.15 -0.55 8.41 8.24 2foyB1 HIS 40 HA -0.13 0.18 0.71 -0.75 4.63 4.63 2foyB1 HIS 40 HB2 -0.13 -0.03 0.03 -0.04 3.26 3.09 2foyB1 HIS 40 HB3 -0.07 -0.01 0.11 -0.04 3.20 3.19 2foyB1 HIS 40 HD2 -0.19 -0.27 -0.46 -0.04 6.97 6.01 2foyB1 HIS 40 HE1 -0.04 -0.03 -0.14 -0.04 7.75 7.49 2foyB1 ASP 41 H -0.54 0.51 0.28 -0.55 8.40 8.10 2foyB1 ASP 41 HA -0.17 0.12 0.89 -0.75 4.63 4.71 2foyB1 ASP 41 HB2 -0.12 0.07 -0.02 -0.04 2.71 2.60 2foyB1 ASP 41 HB3 -0.19 0.04 0.15 -0.04 2.70 2.66 2foyB1 THR 42 H -0.12 0.19 0.10 -0.55 8.28 7.91 2foyB1 THR 42 HA -0.09 0.15 0.38 -0.75 4.39 4.07 2foyB1 THR 42 HB 0.03 0.03 0.09 -0.04 4.32 4.43 2foyB1 THR 42 HG23 0.10 0.01 0.02 -0.04 1.22 1.31 2foyB1 SER 43 H -0.08 -0.01 -0.37 -0.55 8.46 7.45 2foyB1 SER 43 HA -0.02 0.13 0.47 -0.75 4.49 4.32 2foyB1 SER 43 HB2 -0.02 0.03 0.07 -0.04 3.95 3.99 2foyB1 SER 43 HB3 -0.03 -0.06 0.02 -0.04 3.93 3.83 2foyB1 LEU 44 H -0.11 0.32 -0.41 -0.55 8.37 7.62 2foyB1 LEU 44 HA 0.01 0.15 0.46 -0.75 4.35 4.21 2foyB1 LEU 44 HB2 -0.16 0.10 0.16 -0.04 1.64 1.69 2foyB1 LEU 44 HB3 0.03 -0.01 -0.09 -0.04 1.64 1.53 2foyB1 LEU 44 HG -0.11 -0.10 -0.06 -0.04 1.64 1.34 2foyB1 LEU 44 HD13 -0.23 0.01 -0.24 -0.04 0.93 0.44 2foyB1 LEU 44 HD23 0.05 0.01 -0.20 -0.04 0.89 0.71 2foyB1 LYS 45 H 0.03 0.44 0.23 -0.55 8.42 8.57 2foyB1 LYS 45 HA 0.04 0.11 0.55 -0.75 4.32 4.26 2foyB1 LYS 45 HB2 0.03 -0.02 0.13 -0.04 1.87 1.97 2foyB1 LYS 45 HB3 0.03 0.03 0.16 -0.04 1.79 1.96 2foyB1 LYS 45 HG2 0.01 -0.03 0.02 -0.04 1.46 1.42 2foyB1 LYS 45 HG3 0.01 0.14 0.04 -0.04 1.46 1.60 2foyB1 LYS 45 HD2 0.02 0.03 0.03 -0.04 1.69 1.72 2foyB1 LYS 45 HD3 0.01 -0.04 0.03 -0.04 1.68 1.64 2foyB1 LYS 45 HE2 0.01 -0.03 0.01 -0.04 2.99 2.93 2foyB1 LYS 45 HE3 0.01 0.03 0.01 -0.04 2.99 3.00 2foyB1 PRO 46 HA 0.16 0.06 0.48 -0.51 4.44 4.63 2foyB1 PRO 46 HB2 0.02 0.03 -0.02 -0.04 2.28 2.26 2foyB1 PRO 46 HB3 0.04 0.01 0.10 -0.04 2.02 2.12 2foyB1 PRO 46 HG2 0.02 0.01 0.08 -0.04 2.03 2.10 2foyB1 PRO 46 HG3 0.04 0.06 0.08 -0.04 2.03 2.17 2foyB1 PRO 46 HD2 0.02 0.07 0.20 -0.04 3.68 3.93 2foyB1 PRO 46 HD3 0.03 0.17 0.23 -0.04 3.65 4.04 2foyB1 ILE 47 H 0.05 0.12 0.18 -0.55 8.25 8.05 2foyB1 ILE 47 HA -0.11 0.12 0.57 -0.75 4.18 4.01 2foyB1 ILE 47 HB -0.11 -0.02 0.11 -0.04 1.89 1.83 2foyB1 ILE 47 HG12 -0.64 0.02 -0.07 -0.04 1.49 0.75 2foyB1 ILE 47 HG13 -0.41 -0.02 0.05 -0.04 1.21 0.79 2foyB1 ILE 47 HG23 -0.17 -0.01 -0.21 -0.04 0.93 0.51 2foyB1 ILE 47 HD13 -0.60 0.01 -0.06 -0.04 0.88 0.19 2foyB1 SER 48 H -0.08 0.78 0.29 -0.55 8.46 8.90 2foyB1 SER 48 HA -0.09 0.15 0.93 -0.75 4.49 4.73 2foyB1 SER 48 HB2 -0.05 0.04 -0.16 -0.04 3.95 3.74 2foyB1 SER 48 HB3 -0.05 -0.02 -0.02 -0.04 3.93 3.79 2foyB1 VAL 49 H -0.17 0.24 0.08 -0.55 8.24 7.84 2foyB1 VAL 49 HA -0.34 0.27 1.11 -0.75 4.13 4.41 2foyB1 VAL 49 HB -1.05 -0.06 -0.05 -0.04 2.12 0.92 2foyB1 VAL 49 HG13 -0.18 0.00 -0.16 -0.04 0.97 0.59 2foyB1 VAL 49 HG23 -0.23 0.01 0.07 -0.04 0.95 0.76 2foyB1 SER 50 H -0.30 0.63 0.15 -0.55 8.46 8.39 2foyB1 SER 50 HA -0.17 0.14 0.89 -0.75 4.49 4.59 2foyB1 SER 50 HB2 -0.06 0.02 0.07 -0.04 3.95 3.94 2foyB1 SER 50 HB3 -0.10 0.00 -0.08 -0.04 3.93 3.71 2foyB1 TYR 51 H -0.14 0.16 0.03 -0.55 8.29 7.79 2foyB1 TYR 51 HA -0.03 0.13 1.00 -0.75 4.56 4.91 2foyB1 TYR 51 HB2 -0.05 -0.08 -0.00 -0.04 3.06 2.89 2foyB1 TYR 51 HB3 -0.05 0.05 -0.02 -0.04 2.98 2.92 2foyB1 TYR 51 HD2 -0.08 -0.13 -0.17 -0.04 7.15 6.73 2foyB1 TYR 51 HE2 0.00 0.03 -0.29 -0.04 6.85 6.56 2foyB1 ASN 52 H 0.14 0.17 0.08 -0.55 8.53 8.38 2foyB1 ASN 52 HA 0.08 0.22 0.78 -0.75 4.76 5.09 2foyB1 ASN 52 HB2 0.07 0.27 -0.01 -0.04 2.88 3.16 2foyB1 ASN 52 HB3 0.10 -0.08 0.07 -0.04 2.79 2.83 2foyB1 ASN 52 HD21 0.04 0.01 -0.00 -0.04 7.03 7.03 2foyB1 ASN 52 HD22 0.04 0.07 0.01 -0.04 7.74 7.82 2foyB1 PRO 53 HA 0.18 0.27 0.17 -0.51 4.44 4.55 2foyB1 PRO 53 HB2 0.08 0.00 -0.16 -0.04 2.28 2.17 2foyB1 PRO 53 HB3 0.06 0.01 -0.15 -0.04 2.02 1.90 2foyB1 PRO 53 HG2 0.06 0.02 0.01 -0.04 2.03 2.07 2foyB1 PRO 53 HG3 0.04 0.09 0.01 -0.04 2.03 2.14 2foyB1 PRO 53 HD2 0.06 0.11 0.24 -0.04 3.68 4.05 2foyB1 PRO 53 HD3 0.06 0.23 0.14 -0.04 3.65 4.03 2foyB1 ALA 54 H 0.09 0.10 -0.45 -0.55 8.40 7.59 2foyB1 ALA 54 HA 0.08 0.07 0.56 -0.75 4.34 4.29 2foyB1 ALA 54 HB3 0.06 0.01 0.07 -0.04 1.41 1.51 2foyB1 THR 55 H 0.19 0.47 -0.28 -0.55 8.28 8.10 2foyB1 THR 55 HA 0.14 0.13 0.76 -0.75 4.39 4.67 2foyB1 THR 55 HB 0.27 0.08 0.18 -0.04 4.32 4.81 2foyB1 THR 55 HG23 0.12 -0.05 0.02 -0.04 1.22 1.26 2foyB1 ALA 56 H 0.21 0.17 -0.13 -0.55 8.40 8.09 2foyB1 ALA 56 HA -0.77 0.03 0.47 -0.75 4.34 3.31 2foyB1 ALA 56 HB3 0.14 0.00 0.05 -0.04 1.41 1.56 2foyB1 LYS 57 H -0.28 0.40 0.44 -0.55 8.42 8.43 2foyB1 LYS 57 HA 0.01 0.17 1.18 -0.75 4.32 4.92 2foyB1 LYS 57 HB2 0.02 -0.03 -0.10 -0.04 1.87 1.73 2foyB1 LYS 57 HB3 -0.02 0.04 0.02 -0.04 1.79 1.80 2foyB1 LYS 57 HG2 0.02 0.00 -0.34 -0.04 1.46 1.10 2foyB1 LYS 57 HG3 0.03 -0.03 -0.01 -0.04 1.46 1.41 2foyB1 LYS 57 HD2 0.04 0.01 -0.13 -0.04 1.69 1.57 2foyB1 LYS 57 HD3 0.03 -0.03 -0.08 -0.04 1.68 1.56 2foyB1 LYS 57 HE2 0.05 -0.02 -0.03 -0.04 2.99 2.95 2foyB1 LYS 57 HE3 0.07 0.01 -0.19 -0.04 2.99 2.84 2foyB1 GLU 58 H -0.08 0.38 0.38 -0.55 8.60 8.73 2foyB1 GLU 58 HA 0.05 0.14 0.95 -0.75 4.29 4.68 2foyB1 GLU 58 HB2 0.02 0.02 -0.30 -0.04 2.09 1.79 2foyB1 GLU 58 HB3 0.00 -0.08 -0.03 -0.04 1.99 1.85 2foyB1 GLU 58 HG2 0.00 0.04 -0.22 -0.04 2.34 2.12 2foyB1 GLU 58 HG3 0.02 0.12 -0.03 -0.04 2.34 2.41 2foyB1 ILE 59 H 0.02 0.68 0.35 -0.55 8.25 8.75 2foyB1 ILE 59 HA -0.12 0.29 1.16 -0.75 4.18 4.75 2foyB1 ILE 59 HB -0.30 -0.06 -0.03 -0.04 1.89 1.45 2foyB1 ILE 59 HG12 -0.04 0.02 -0.19 -0.04 1.49 1.24 2foyB1 ILE 59 HG13 -0.05 0.05 -0.06 -0.04 1.21 1.11 2foyB1 ILE 59 HG23 0.03 0.04 -0.07 -0.04 0.93 0.89 2foyB1 ILE 59 HD13 -0.25 -0.02 -0.15 -0.04 0.88 0.42 2foyB1 ILE 60 H 0.02 0.58 0.40 -0.55 8.25 8.70 2foyB1 ILE 60 HA -0.01 0.29 1.10 -0.75 4.18 4.80 2foyB1 ILE 60 HB -0.00 -0.02 -0.17 -0.04 1.89 1.65 2foyB1 ILE 60 HG12 -0.06 -0.04 -0.50 -0.04 1.49 0.86 2foyB1 ILE 60 HG13 -0.02 0.22 -0.06 -0.04 1.21 1.31 2foyB1 ILE 60 HG23 -0.00 -0.02 -0.03 -0.04 0.93 0.84 2foyB1 ILE 60 HD13 -0.01 -0.03 -0.10 -0.04 0.88 0.70 2foyB1 ASN 61 H -0.02 0.70 0.28 -0.55 8.53 8.94 2foyB1 ASN 61 HA 0.01 0.10 0.86 -0.75 4.76 4.98 2foyB1 ASN 61 HB2 -0.02 0.25 0.09 -0.04 2.88 3.17 2foyB1 ASN 61 HB3 -0.03 -0.03 0.20 -0.04 2.79 2.89 2foyB1 ASN 61 HD21 0.01 0.33 -0.10 -0.04 7.03 7.23 2foyB1 ASN 61 HD22 -0.01 0.28 -0.31 -0.04 7.74 7.66 2foyB1 VAL 62 H -0.22 0.61 0.28 -0.55 8.24 8.36 2foyB1 VAL 62 HA -0.14 0.20 0.93 -0.75 4.13 4.37 2foyB1 VAL 62 HB -0.24 0.02 0.15 -0.04 2.12 2.01 2foyB1 VAL 62 HG13 -0.31 0.02 -0.20 -0.04 0.97 0.44 2foyB1 VAL 62 HG23 -0.83 -0.02 -0.21 -0.04 0.95 -0.15 2foyB1 GLY 63 H -0.11 0.17 -0.21 -0.55 8.43 7.73 2foyB1 GLY 63 HA2 -0.07 0.12 0.45 -0.51 4.01 4.00 2foyB1 GLY 63 HA3 -0.11 0.15 0.61 -0.51 4.01 4.16 2foyB1 HIS 64 H -0.47 0.30 -0.30 -0.55 8.41 7.40 2foyB1 HIS 64 HA -0.08 0.18 0.84 -0.75 4.63 4.82 2foyB1 HIS 64 HB2 0.08 -0.00 0.12 -0.04 3.26 3.42 2foyB1 HIS 64 HB3 -0.25 0.01 0.05 -0.04 3.20 2.96 2foyB1 HIS 64 HD2 -0.32 0.08 0.07 -0.04 6.97 6.75 2foyB1 HIS 64 HE1 -0.00 -0.04 -0.12 -0.04 7.75 7.55 2foyB1 SER 65 H -0.41 0.09 -0.14 -0.55 8.46 7.46 2foyB1 SER 65 HA -0.01 0.16 0.38 -0.75 4.49 4.26 2foyB1 SER 65 HB2 -0.17 0.20 -0.20 -0.04 3.95 3.73 2foyB1 SER 65 HB3 -0.37 -0.08 -0.15 -0.04 3.93 3.30 2foyB1 PHE 66 H -0.14 0.30 0.25 -0.55 8.34 8.20 2foyB1 PHE 66 HA -0.20 0.18 0.94 -0.75 4.62 4.79 2foyB1 PHE 66 HB2 -0.04 0.10 0.03 -0.04 3.15 3.20 2foyB1 PHE 66 HB3 0.02 0.03 -0.09 -0.04 3.06 2.97 2foyB1 PHE 66 HD2 0.09 0.04 -0.19 -0.04 7.28 7.18 2foyB1 PHE 66 HE2 -0.13 -0.01 -0.11 -0.04 7.38 7.09 2foyB1 PHE 66 HZ 0.15 -0.05 -0.12 -0.04 7.32 7.26 2foyB1 HIS 67 H 0.04 0.59 0.39 -0.55 8.41 8.89 2foyB1 HIS 67 HA -0.21 0.24 1.11 -0.75 4.63 5.02 2foyB1 HIS 67 HB2 -0.04 -0.03 0.03 -0.04 3.26 3.19 2foyB1 HIS 67 HB3 -0.05 0.02 -0.04 -0.04 3.20 3.08 2foyB1 HIS 67 HD2 0.03 -0.00 -0.10 -0.04 6.97 6.85 2foyB1 HIS 67 HE1 -0.17 0.03 -0.14 -0.04 7.75 7.43 2foyB1 VAL 68 H -0.36 0.58 0.38 -0.55 8.24 8.29 2foyB1 VAL 68 HA -0.34 0.24 1.08 -0.75 4.13 4.35 2foyB1 VAL 68 HB -1.57 -0.04 0.24 -0.04 2.12 0.71 2foyB1 VAL 68 HG13 -0.59 -0.00 -0.14 -0.04 0.97 0.20 2foyB1 VAL 68 HG23 -0.72 -0.01 -0.08 -0.04 0.95 0.10 2foyB1 ASN 69 H -0.13 0.75 0.40 -0.55 8.53 9.00 2foyB1 ASN 69 HA 0.12 0.24 1.10 -0.75 4.76 5.46 2foyB1 ASN 69 HB2 0.02 -0.04 0.13 -0.04 2.88 2.95 2foyB1 ASN 69 HB3 0.11 0.06 0.11 -0.04 2.79 3.03 2foyB1 ASN 69 HD21 0.13 -0.01 -0.10 -0.04 7.03 7.01 2foyB1 ASN 69 HD22 0.05 0.01 -0.08 -0.04 7.74 7.68 2foyB1 PHE 70 H 0.35 0.65 0.29 -0.55 8.34 9.07 2foyB1 PHE 70 HA 0.09 0.16 1.04 -0.75 4.62 5.16 2foyB1 PHE 70 HB2 0.06 -0.02 -0.22 -0.04 3.15 2.93 2foyB1 PHE 70 HB3 0.06 0.07 -0.11 -0.04 3.06 3.04 2foyB1 PHE 70 HD2 0.03 -0.00 -0.41 -0.04 7.28 6.86 2foyB1 PHE 70 HE2 0.20 0.10 -0.09 -0.04 7.38 7.55 2foyB1 PHE 70 HZ 0.63 -0.04 -0.16 -0.04 7.32 7.71 2foyB1 GLU 71 H 0.18 0.75 0.32 -0.55 8.60 9.30 2foyB1 GLU 71 HA 0.13 -0.01 0.54 -0.75 4.29 4.20 2foyB1 GLU 71 HB2 0.13 -0.02 0.26 -0.04 2.09 2.42 2foyB1 GLU 71 HB3 0.10 -0.13 0.11 -0.04 1.99 2.03 2foyB1 GLU 71 HG2 0.07 -0.04 0.06 -0.04 2.34 2.40 2foyB1 GLU 71 HG3 0.08 0.14 0.06 -0.04 2.34 2.58 2foyB1 ASP 72 H 0.17 0.11 0.22 -0.55 8.40 8.35 2foyB1 ASP 72 HA 0.15 0.26 1.00 -0.75 4.63 5.29 2foyB1 ASP 72 HB2 0.44 -0.02 0.17 -0.04 2.71 3.26 2foyB1 ASP 72 HB3 0.35 0.18 0.01 -0.04 2.70 3.21 2foyB1 ASN 73 H 0.12 0.08 -0.04 -0.55 8.53 8.15 2foyB1 ASN 73 HA 0.14 0.17 0.67 -0.75 4.76 5.00 2foyB1 ASN 73 HB2 0.07 0.03 0.11 -0.04 2.88 3.04 2foyB1 ASN 73 HB3 0.08 -0.01 0.11 -0.04 2.79 2.93 2foyB1 ASN 73 HD21 0.07 0.04 0.02 -0.04 7.03 7.12 2foyB1 ASN 73 HD22 0.07 -0.00 0.06 -0.04 7.74 7.83 2foyB1 ASP 74 H 0.06 0.11 -0.08 -0.55 8.40 7.95 2foyB1 ASP 74 HA 0.01 0.25 0.65 -0.75 4.63 4.79 2foyB1 ASP 74 HB2 0.01 -0.09 0.14 -0.04 2.71 2.73 2foyB1 ASP 74 HB3 0.03 0.12 -0.09 -0.04 2.70 2.72 2foyB1 ASN 75 H -0.03 0.18 0.05 -0.55 8.53 8.18 2foyB1 ASN 75 HA -0.08 0.28 0.86 -0.75 4.76 5.06 2foyB1 ASN 75 HB2 -0.05 0.01 0.07 -0.04 2.88 2.86 2foyB1 ASN 75 HB3 -0.08 0.02 0.08 -0.04 2.79 2.77 2foyB1 ASN 75 HD21 -0.11 0.10 -0.08 -0.04 7.03 6.90 2foyB1 ASN 75 HD22 -0.07 -0.01 -0.02 -0.04 7.74 7.59 2foyB1 ARG 76 H 0.01 0.12 -0.36 -0.55 8.46 7.67 2foyB1 ARG 76 HA 0.02 0.09 0.40 -0.75 4.34 4.10 2foyB1 ARG 76 HB2 0.05 0.03 0.06 -0.04 1.90 2.00 2foyB1 ARG 76 HB3 0.05 -0.03 -0.01 -0.04 1.80 1.77 2foyB1 ARG 76 HG2 0.03 0.03 0.01 -0.04 1.67 1.70 2foyB1 ARG 76 HG3 0.03 -0.06 -0.03 -0.04 1.67 1.57 2foyB1 ARG 76 HD2 0.05 -0.03 -0.04 -0.04 3.22 3.16 2foyB1 ARG 76 HD3 0.04 0.02 -0.03 -0.04 3.22 3.21 2foyB1 SER 77 H 0.03 0.17 -0.16 -0.55 8.46 7.95 2foyB1 SER 77 HA 0.14 0.38 1.14 -0.75 4.49 5.39 2foyB1 SER 77 HB2 0.01 0.10 0.22 -0.04 3.95 4.25 2foyB1 SER 77 HB3 0.07 0.00 0.09 -0.04 3.93 4.06 2foyB1 VAL 78 H 0.08 0.53 0.22 -0.55 8.24 8.52 2foyB1 VAL 78 HA 0.09 0.21 1.14 -0.75 4.13 4.81 2foyB1 VAL 78 HB -0.05 -0.01 0.00 -0.04 2.12 2.02 2foyB1 VAL 78 HG13 -0.08 -0.02 -0.36 -0.04 0.97 0.48 2foyB1 VAL 78 HG23 -0.04 0.00 -0.14 -0.04 0.95 0.74 2foyB1 LEU 79 H -0.03 0.67 0.39 -0.55 8.37 8.86 2foyB1 LEU 79 HA -0.14 0.22 0.97 -0.75 4.35 4.64 2foyB1 LEU 79 HB2 -0.43 -0.04 -0.04 -0.04 1.64 1.09 2foyB1 LEU 79 HB3 -0.49 -0.02 0.10 -0.04 1.64 1.19 2foyB1 LEU 79 HG -0.28 0.03 -0.37 -0.04 1.64 0.98 2foyB1 LEU 79 HD13 -0.18 0.02 -0.09 -0.04 0.93 0.65 2foyB1 LEU 79 HD23 -0.63 -0.01 -0.17 -0.04 0.89 0.04 2foyB1 LYS 80 H -0.09 0.69 0.35 -0.55 8.42 8.82 2foyB1 LYS 80 HA 0.03 0.20 0.60 -0.75 4.32 4.40 2foyB1 LYS 80 HB2 0.01 -0.01 -0.00 -0.04 1.87 1.82 2foyB1 LYS 80 HB3 -0.02 -0.02 -0.18 -0.04 1.79 1.52 2foyB1 LYS 80 HG2 -0.06 0.06 -0.11 -0.04 1.46 1.31 2foyB1 LYS 80 HG3 -0.03 0.00 -0.18 -0.04 1.46 1.21 2foyB1 LYS 80 HD2 -0.02 0.02 -0.11 -0.04 1.69 1.53 2foyB1 LYS 80 HD3 -0.04 -0.03 -0.15 -0.04 1.68 1.42 2foyB1 LYS 80 HE2 -0.03 -0.01 -0.09 -0.04 2.99 2.81 2foyB1 LYS 80 HE3 -0.05 -0.01 -0.14 -0.04 2.99 2.75 2foyB1 GLY 81 H 0.08 0.18 0.03 -0.55 8.43 8.18 2foyB1 GLY 81 HA2 0.03 0.07 0.29 -0.51 4.01 3.88 2foyB1 GLY 81 HA3 0.00 0.24 0.69 -0.51 4.01 4.44 2foyB1 GLY 82 H 0.01 0.37 -0.32 -0.55 8.43 7.94 2foyB1 GLY 82 HA2 0.14 0.29 0.25 -0.51 4.01 4.17 2foyB1 GLY 82 HA3 -0.29 0.01 0.31 -0.51 4.01 3.54 2foyB1 PRO 83 HA -0.13 0.13 0.53 -0.51 4.44 4.46 2foyB1 PRO 83 HB2 -0.27 0.01 0.05 -0.04 2.28 2.03 2foyB1 PRO 83 HB3 -0.13 -0.02 -0.00 -0.04 2.02 1.82 2foyB1 PRO 83 HG2 -1.64 0.05 -0.14 -0.04 2.03 0.26 2foyB1 PRO 83 HG3 -0.51 0.03 -0.06 -0.04 2.03 1.45 2foyB1 PRO 83 HD2 -0.88 0.14 0.12 -0.04 3.68 3.02 2foyB1 PRO 83 HD3 -0.26 0.06 0.06 -0.04 3.65 3.47 2foyB1 PHE 84 H -0.26 0.51 -0.34 -0.55 8.34 7.71 2foyB1 PHE 84 HA 0.03 0.10 0.79 -0.75 4.62 4.79 2foyB1 PHE 84 HB2 -0.02 0.04 0.01 -0.04 3.15 3.14 2foyB1 PHE 84 HB3 0.13 -0.01 0.05 -0.04 3.06 3.20 2foyB1 PHE 84 HD2 -0.09 0.04 -0.17 -0.04 7.28 7.01 2foyB1 PHE 84 HE2 -0.35 -0.00 -0.15 -0.04 7.38 6.84 2foyB1 PHE 84 HZ -0.42 0.05 -0.11 -0.04 7.32 6.80 2foyB1 SER 85 H 0.21 0.05 0.19 -0.55 8.46 8.37 2foyB1 SER 85 HA 0.06 0.19 0.77 -0.75 4.49 4.77 2foyB1 SER 85 HB2 0.06 -0.03 0.07 -0.04 3.95 4.00 2foyB1 SER 85 HB3 0.03 -0.02 0.06 -0.04 3.93 3.96 2foyB1 ASP 86 H 0.15 0.01 0.11 -0.55 8.40 8.12 2foyB1 ASP 86 HA -0.01 0.23 0.89 -0.75 4.63 4.98 2foyB1 ASP 86 HB2 -0.12 -0.05 0.13 -0.04 2.71 2.63 2foyB1 ASP 86 HB3 -0.05 0.05 -0.04 -0.04 2.70 2.62 2foyB1 SER 87 H -0.10 0.09 0.14 -0.55 8.46 8.04 2foyB1 SER 87 HA -0.03 0.34 0.80 -0.75 4.49 4.84 2foyB1 SER 87 HB2 -0.12 -0.06 0.03 -0.04 3.95 3.76 2foyB1 SER 87 HB3 -0.09 0.04 -0.03 -0.04 3.93 3.80 2foyB1 TYR 88 H -0.03 0.64 0.36 -0.55 8.29 8.72 2foyB1 TYR 88 HA -0.26 0.13 0.91 -0.75 4.56 4.59 2foyB1 TYR 88 HB2 -0.45 0.02 0.05 -0.04 3.06 2.64 2foyB1 TYR 88 HB3 -0.18 -0.04 -0.22 -0.04 2.98 2.50 2foyB1 TYR 88 HD2 -0.34 0.02 -0.40 -0.04 7.15 6.38 2foyB1 TYR 88 HE2 -0.19 0.01 -0.37 -0.04 6.85 6.25 2foyB1 ARG 89 H -0.46 0.64 0.38 -0.55 8.46 8.46 2foyB1 ARG 89 HA -0.14 0.22 0.88 -0.75 4.34 4.54 2foyB1 ARG 89 HB2 -0.66 -0.07 0.11 -0.04 1.90 1.23 2foyB1 ARG 89 HB3 -1.29 -0.07 0.21 -0.04 1.80 0.61 2foyB1 ARG 89 HG2 -0.16 0.16 -0.04 -0.04 1.67 1.59 2foyB1 ARG 89 HG3 -0.18 -0.01 0.17 -0.04 1.67 1.62 2foyB1 ARG 89 HD2 -0.44 -0.05 0.00 -0.04 3.22 2.69 2foyB1 ARG 89 HD3 -0.04 -0.09 -0.04 -0.04 3.22 3.01 2foyB1 LEU 90 H 0.01 0.50 0.31 -0.55 8.37 8.64 2foyB1 LEU 90 HA -0.34 0.13 0.54 -0.75 4.35 3.92 2foyB1 LEU 90 HB2 -0.33 -0.03 -0.03 -0.04 1.64 1.20 2foyB1 LEU 90 HB3 -0.25 -0.01 0.11 -0.04 1.64 1.45 2foyB1 LEU 90 HG -0.74 0.02 -0.36 -0.04 1.64 0.52 2foyB1 LEU 90 HD13 -0.89 0.04 -0.04 -0.04 0.93 -0.00 2foyB1 LEU 90 HD23 -1.42 -0.03 -0.11 -0.04 0.89 -0.70 2foyB1 PHE 91 H -0.33 0.46 0.45 -0.55 8.34 8.37 2foyB1 PHE 91 HA 0.13 0.23 0.81 -0.75 4.62 5.03 2foyB1 PHE 91 HB2 0.21 -0.04 0.15 -0.04 3.15 3.44 2foyB1 PHE 91 HB3 0.34 0.05 -0.12 -0.04 3.06 3.28 2foyB1 PHE 91 HD2 0.17 0.02 -0.13 -0.04 7.28 7.29 2foyB1 PHE 91 HE2 0.08 0.05 -0.25 -0.04 7.38 7.22 2foyB1 PHE 91 HZ 0.03 0.01 -0.14 -0.04 7.32 7.18 2foyB1 GLN 92 H -0.57 0.28 0.36 -0.55 8.47 8.00 2foyB1 GLN 92 HA 0.17 0.27 0.75 -0.75 4.36 4.79 2foyB1 GLN 92 HB2 0.03 0.15 -0.12 -0.04 2.15 2.18 2foyB1 GLN 92 HB3 -0.58 -0.10 -0.14 -0.04 2.02 1.16 2foyB1 GLN 92 HG2 -0.15 0.04 -0.14 -0.04 2.40 2.10 2foyB1 GLN 92 HG3 -0.08 0.02 -0.05 -0.04 2.39 2.24 2foyB1 GLN 92 HE21 -0.04 0.00 -0.10 -0.04 6.97 6.79 2foyB1 GLN 92 HE22 0.09 0.02 -0.10 -0.04 7.69 7.66 2foyB1 PHE 93 H -0.18 0.54 0.44 -0.55 8.34 8.58 2foyB1 PHE 93 HA -0.32 0.28 0.89 -0.75 4.62 4.72 2foyB1 PHE 93 HB2 -0.24 0.09 0.22 -0.04 3.15 3.19 2foyB1 PHE 93 HB3 -0.18 -0.07 0.04 -0.04 3.06 2.81 2foyB1 PHE 93 HD2 -0.02 0.03 -0.17 -0.04 7.28 7.09 2foyB1 PHE 93 HE2 0.46 -0.01 -0.12 -0.04 7.38 7.67 2foyB1 PHE 93 HZ -0.04 -0.02 -0.10 -0.04 7.32 7.12 2foyB1 HIS 94 H -0.43 0.59 0.46 -0.55 8.41 8.49 2foyB1 HIS 94 HA -0.34 0.09 0.60 -0.75 4.63 4.23 2foyB1 HIS 94 HB2 -0.20 0.09 0.34 -0.04 3.26 3.45 2foyB1 HIS 94 HB3 -0.19 0.00 0.12 -0.04 3.20 3.09 2foyB1 HIS 94 HD2 -0.36 0.15 -0.28 -0.04 6.97 6.43 2foyB1 HIS 94 HE1 0.04 -0.04 -0.14 -0.04 7.75 7.56 2foyB1 PHE 95 H -0.02 0.26 0.29 -0.55 8.34 8.32 2foyB1 PHE 95 HA -0.04 0.28 1.20 -0.75 4.62 5.30 2foyB1 PHE 95 HB2 -0.17 -0.01 -0.01 -0.04 3.15 2.92 2foyB1 PHE 95 HB3 0.05 0.03 0.10 -0.04 3.06 3.21 2foyB1 PHE 95 HD2 -0.08 0.02 -0.12 -0.04 7.28 7.06 2foyB1 PHE 95 HE2 0.38 0.00 -0.12 -0.04 7.38 7.61 2foyB1 PHE 95 HZ 0.33 -0.02 -0.10 -0.04 7.32 7.49 2foyB1 HIS 96 H 0.28 0.43 0.41 -0.55 8.41 8.99 2foyB1 HIS 96 HA -0.28 0.19 0.78 -0.75 4.63 4.57 2foyB1 HIS 96 HB2 -0.00 -0.15 0.09 -0.04 3.26 3.15 2foyB1 HIS 96 HB3 -0.06 0.11 -0.03 -0.04 3.20 3.18 2foyB1 HIS 96 HD2 -0.50 -0.06 -0.23 -0.04 6.97 6.14 2foyB1 HIS 96 HE1 0.34 -0.00 -0.04 -0.04 7.75 8.01 2foyB1 TRP 97 H -0.44 0.20 0.19 -0.55 7.97 7.36 2foyB1 TRP 97 HA 0.16 0.15 0.75 -0.75 4.62 4.92 2foyB1 TRP 97 HB2 0.20 0.08 0.22 -0.04 3.23 3.68 2foyB1 TRP 97 HB3 0.20 -0.06 -0.09 -0.04 3.23 3.24 2foyB1 TRP 97 HD1 0.13 0.36 -0.25 -0.04 7.22 7.42 2foyB1 TRP 97 HE1 0.08 0.56 -0.25 -0.04 10.20 10.54 2foyB1 TRP 97 HE3 -0.29 -0.09 -0.43 -0.04 7.59 6.73 2foyB1 TRP 97 HZ2 0.06 0.11 -0.16 -0.04 7.44 7.42 2foyB1 TRP 97 HZ3 -0.39 -0.09 -0.09 -0.04 7.13 6.53 2foyB1 TRP 97 HH2 0.13 -0.09 -0.06 -0.04 7.19 7.12 2foyB1 GLY 98 H 0.41 0.35 0.36 -0.55 8.43 8.99 2foyB1 GLY 98 HA2 0.19 0.06 0.96 -0.51 4.01 4.71 2foyB1 GLY 98 HA3 0.21 -0.01 0.15 -0.51 4.01 3.85 2foyB1 SER 99 H 0.14 0.01 0.14 -0.55 8.46 8.21 2foyB1 SER 99 HA 0.25 0.36 0.56 -0.75 4.49 4.91 2foyB1 SER 99 HB2 0.14 -0.02 0.08 -0.04 3.95 4.11 2foyB1 SER 99 HB3 0.25 0.00 0.04 -0.04 3.93 4.17 2foyB1 THR 100 H 0.20 0.13 -0.05 -0.55 8.28 8.01 2foyB1 THR 100 HA 0.11 0.23 0.76 -0.75 4.39 4.73 2foyB1 THR 100 HB 0.08 -0.07 0.16 -0.04 4.32 4.45 2foyB1 THR 100 HG23 0.09 0.02 -0.18 -0.04 1.22 1.11 2foyB1 ASN 101 H 0.06 0.14 0.15 -0.55 8.53 8.33 2foyB1 ASN 101 HA 0.09 0.18 0.43 -0.75 4.76 4.70 2foyB1 ASN 101 HB2 0.02 -0.01 0.09 -0.04 2.88 2.94 2foyB1 ASN 101 HB3 0.02 -0.00 0.10 -0.04 2.79 2.87 2foyB1 ASN 101 HD21 0.01 -0.07 0.07 -0.04 7.03 6.99 2foyB1 ASN 101 HD22 0.01 0.02 0.04 -0.04 7.74 7.78 2foyB1 GLU 102 H 0.04 -0.04 -0.42 -0.55 8.60 7.63 2foyB1 GLU 102 HA -0.16 0.08 0.35 -0.75 4.29 3.81 2foyB1 GLU 102 HB2 -0.07 -0.07 0.05 -0.04 2.09 1.96 2foyB1 GLU 102 HB3 -0.21 0.00 -0.05 -0.04 1.99 1.69 2foyB1 GLU 102 HG2 -0.70 0.05 0.02 -0.04 2.34 1.66 2foyB1 GLU 102 HG3 -0.20 -0.01 0.06 -0.04 2.34 2.16 2foyB1 HIS 103 H 0.15 0.37 -0.23 -0.55 8.41 8.15 2foyB1 HIS 103 HA 0.06 0.19 0.61 -0.75 4.63 4.74 2foyB1 HIS 103 HB2 0.04 -0.07 -0.08 -0.04 3.26 3.11 2foyB1 HIS 103 HB3 0.03 0.03 0.08 -0.04 3.20 3.29 2foyB1 HIS 103 HD2 -0.00 0.04 -0.05 -0.04 6.97 6.91 2foyB1 HIS 103 HE1 0.01 -0.03 -0.08 -0.04 7.75 7.60 2foyB1 GLY 104 H 0.19 0.18 0.04 -0.55 8.43 8.29 2foyB1 GLY 104 HA2 0.19 -0.09 -0.02 -0.51 4.01 3.58 2foyB1 GLY 104 HA3 0.25 0.49 0.52 -0.51 4.01 4.76 2foyB1 SER 105 H 0.19 0.44 -0.09 -0.55 8.46 8.45 2foyB1 SER 105 HA 0.16 0.02 0.14 -0.75 4.49 4.06 2foyB1 SER 105 HB2 0.15 -0.05 0.03 -0.04 3.95 4.04 2foyB1 SER 105 HB3 0.23 -0.03 -0.06 -0.04 3.93 4.04 2foyB1 GLU 106 H 0.07 -0.02 0.08 -0.55 8.60 8.18 2foyB1 GLU 106 HA -0.07 0.28 0.70 -0.75 4.29 4.45 2foyB1 GLU 106 HB2 -0.06 -0.14 0.12 -0.04 2.09 1.98 2foyB1 GLU 106 HB3 -0.23 0.09 0.02 -0.04 1.99 1.83 2foyB1 GLU 106 HG2 -0.15 0.03 -0.05 -0.04 2.34 2.14 2foyB1 GLU 106 HG3 -0.31 -0.04 -0.02 -0.04 2.34 1.93 2foyB1 HIS 107 H 0.10 -0.05 0.08 -0.55 8.41 8.00 2foyB1 HIS 107 HA -0.10 0.19 0.55 -0.75 4.63 4.51 2foyB1 HIS 107 HB2 -0.00 -0.08 0.03 -0.04 3.26 3.17 2foyB1 HIS 107 HB3 -0.07 0.08 0.05 -0.04 3.20 3.21 2foyB1 HIS 107 HD2 -0.21 0.10 0.03 -0.04 6.97 6.84 2foyB1 HIS 107 HE1 -2.03 0.05 -0.08 -0.04 7.75 5.65 2foyB1 THR 108 H -0.01 0.38 0.30 -0.55 8.28 8.41 2foyB1 THR 108 HA 0.12 0.27 0.76 -0.75 4.39 4.78 2foyB1 THR 108 HB 0.04 -0.01 -0.34 -0.04 4.32 3.98 2foyB1 THR 108 HG23 0.03 0.04 -0.39 -0.04 1.22 0.87 2foyB1 VAL 109 H 0.12 0.56 0.16 -0.55 8.24 8.53 2foyB1 VAL 109 HA -0.15 0.17 1.09 -0.75 4.13 4.49 2foyB1 VAL 109 HB 0.17 0.02 0.15 -0.04 2.12 2.42 2foyB1 VAL 109 HG13 -0.02 0.01 -0.04 -0.04 0.97 0.88 2foyB1 VAL 109 HG23 -0.05 0.02 -0.17 -0.04 0.95 0.71 2foyB1 ASP 110 H -0.10 0.54 0.14 -0.55 8.40 8.42 2foyB1 ASP 110 HA -0.05 -0.01 0.31 -0.75 4.63 4.14 2foyB1 ASP 110 HB2 0.02 0.20 -0.04 -0.04 2.71 2.84 2foyB1 ASP 110 HB3 -0.00 0.03 0.27 -0.04 2.70 2.95 2foyB1 GLY 111 H -0.03 0.02 -0.39 -0.55 8.43 7.48 2foyB1 GLY 111 HA2 -0.02 0.01 0.17 -0.51 4.01 3.66 2foyB1 GLY 111 HA3 -0.01 0.13 0.40 -0.51 4.01 4.02 2foyB1 VAL 112 H 0.03 0.38 -0.59 -0.55 8.24 7.51 2foyB1 VAL 112 HA -0.01 0.12 0.69 -0.75 4.13 4.18 2foyB1 VAL 112 HB 0.08 0.02 0.14 -0.04 2.12 2.32 2foyB1 VAL 112 HG13 -0.16 0.00 -0.11 -0.04 0.97 0.66 2foyB1 VAL 112 HG23 0.00 0.02 -0.02 -0.04 0.95 0.92 2foyB1 LYS 113 H -0.02 0.19 0.21 -0.55 8.42 8.25 2foyB1 LYS 113 HA 0.16 0.13 0.78 -0.75 4.32 4.63 2foyB1 LYS 113 HB2 -0.01 0.10 0.15 -0.04 1.87 2.07 2foyB1 LYS 113 HB3 0.10 -0.00 0.09 -0.04 1.79 1.93 2foyB1 LYS 113 HG2 0.06 0.03 -0.14 -0.04 1.46 1.37 2foyB1 LYS 113 HG3 0.04 0.03 -0.03 -0.04 1.46 1.46 2foyB1 LYS 113 HD2 0.15 0.02 0.04 -0.04 1.69 1.85 2foyB1 LYS 113 HD3 0.17 -0.01 -0.00 -0.04 1.68 1.79 2foyB1 LYS 113 HE2 0.10 -0.02 -0.03 -0.04 2.99 3.00 2foyB1 LYS 113 HE3 0.04 0.01 -0.06 -0.04 2.99 2.94 2foyB1 TYR 114 H 0.34 0.13 0.15 -0.55 8.29 8.36 2foyB1 TYR 114 HA 0.06 0.19 0.82 -0.75 4.56 4.88 2foyB1 TYR 114 HB2 0.11 -0.00 0.10 -0.04 3.06 3.23 2foyB1 TYR 114 HB3 0.11 0.15 0.11 -0.04 2.98 3.30 2foyB1 TYR 114 HD2 0.08 -0.02 -0.27 -0.04 7.15 6.90 2foyB1 TYR 114 HE2 0.07 -0.01 -0.09 -0.04 6.85 6.78 2foyB1 SER 115 H 0.21 0.18 0.28 -0.55 8.46 8.60 2foyB1 SER 115 HA 0.16 0.24 0.30 -0.75 4.49 4.43 2foyB1 SER 115 HB2 0.16 -0.01 0.09 -0.04 3.95 4.16 2foyB1 SER 115 HB3 0.15 -0.03 0.06 -0.04 3.93 4.07 2foyB1 ALA 116 H 0.27 0.31 0.08 -0.55 8.40 8.51 2foyB1 ALA 116 HA 0.32 0.25 0.34 -0.75 4.34 4.50 2foyB1 ALA 116 HB3 0.39 0.01 -0.03 -0.04 1.41 1.74 2foyB1 GLU 117 H 0.32 0.54 0.31 -0.55 8.60 9.22 2foyB1 GLU 117 HA 0.19 0.23 0.88 -0.75 4.29 4.83 2foyB1 GLU 117 HB2 0.15 -0.10 -0.12 -0.04 2.09 1.98 2foyB1 GLU 117 HB3 0.08 0.02 0.06 -0.04 1.99 2.11 2foyB1 GLU 117 HG2 0.10 0.11 -0.19 -0.04 2.34 2.32 2foyB1 GLU 117 HG3 0.18 0.08 -0.10 -0.04 2.34 2.47 2foyB1 LEU 118 H 0.15 0.61 0.36 -0.55 8.37 8.94 2foyB1 LEU 118 HA -0.23 0.23 1.02 -0.75 4.35 4.62 2foyB1 LEU 118 HB2 0.09 -0.02 0.03 -0.04 1.64 1.70 2foyB1 LEU 118 HB3 0.09 -0.00 0.17 -0.04 1.64 1.85 2foyB1 LEU 118 HG -0.09 -0.01 -0.39 -0.04 1.64 1.10 2foyB1 LEU 118 HD13 -0.58 0.03 -0.01 -0.04 0.93 0.33 2foyB1 LEU 118 HD23 -0.01 -0.01 -0.14 -0.04 0.89 0.69 2foyB1 HIS 119 H -0.31 0.73 0.41 -0.55 8.41 8.69 2foyB1 HIS 119 HA 0.02 0.37 1.06 -0.75 4.63 5.33 2foyB1 HIS 119 HB2 -0.71 -0.01 0.04 -0.04 3.26 2.54 2foyB1 HIS 119 HB3 -0.15 -0.02 -0.10 -0.04 3.20 2.89 2foyB1 HIS 119 HD2 0.32 0.20 -0.04 -0.04 6.97 7.40 2foyB1 HIS 119 HE1 0.09 0.03 -0.09 -0.04 7.75 7.73 2foyB1 VAL 120 H -0.01 0.60 0.29 -0.55 8.24 8.57 2foyB1 VAL 120 HA -0.17 0.18 1.09 -0.75 4.13 4.48 2foyB1 VAL 120 HB 0.03 -0.06 0.21 -0.04 2.12 2.26 2foyB1 VAL 120 HG13 -0.28 -0.00 -0.09 -0.04 0.97 0.56 2foyB1 VAL 120 HG23 -0.08 0.01 -0.15 -0.04 0.95 0.69 2foyB1 ALA 121 H -0.45 0.68 0.36 -0.55 8.40 8.44 2foyB1 ALA 121 HA -0.20 0.27 1.05 -0.75 4.34 4.71 2foyB1 ALA 121 HB3 -0.52 -0.01 -0.01 -0.04 1.41 0.84 2foyB1 HIS 122 H 0.17 0.48 0.37 -0.55 8.41 8.88 2foyB1 HIS 122 HA 0.30 0.23 0.87 -0.75 4.63 5.27 2foyB1 HIS 122 HB2 0.01 -0.03 -0.11 -0.04 3.26 3.09 2foyB1 HIS 122 HB3 0.03 -0.06 -0.50 -0.04 3.20 2.62 2foyB1 HIS 122 HD2 0.02 -0.02 -0.27 -0.04 6.97 6.65 2foyB1 HIS 122 HE1 -0.07 0.01 -0.13 -0.04 7.75 7.52 2foyB1 TRP 123 H 0.10 0.50 0.31 -0.55 7.97 8.32 2foyB1 TRP 123 HA 0.20 0.36 1.11 -0.75 4.62 5.54 2foyB1 TRP 123 HB2 -0.04 0.03 0.06 -0.04 3.23 3.24 2foyB1 TRP 123 HB3 -0.11 0.00 -0.07 -0.04 3.23 3.01 2foyB1 TRP 123 HD1 -0.30 0.01 -0.07 -0.04 7.22 6.82 2foyB1 TRP 123 HE1 -0.06 0.07 0.00 -0.04 10.20 10.17 2foyB1 TRP 123 HE3 -0.01 0.10 -0.65 -0.04 7.59 6.99 2foyB1 TRP 123 HZ2 -0.02 0.24 0.00 -0.04 7.44 7.62 2foyB1 TRP 123 HZ3 0.00 0.23 -0.52 -0.04 7.13 6.80 2foyB1 TRP 123 HH2 -0.02 0.19 -0.38 -0.04 7.19 6.94 2foyB1 ASN 124 H 0.28 0.76 0.30 -0.55 8.53 9.33 2foyB1 ASN 124 HA -0.82 0.10 0.63 -0.75 4.76 3.91 2foyB1 ASN 124 HB2 -0.20 0.29 0.21 -0.04 2.88 3.13 2foyB1 ASN 124 HB3 0.21 -0.09 0.29 -0.04 2.79 3.16 2foyB1 ASN 124 HD21 -0.18 -0.09 -0.01 -0.04 7.03 6.71 2foyB1 ASN 124 HD22 -0.05 0.47 0.08 -0.04 7.74 8.20 2foyB1 SER 125 H -0.53 0.31 0.40 -0.55 8.46 8.10 2foyB1 SER 125 HA 0.04 0.25 0.52 -0.75 4.49 4.55 2foyB1 SER 125 HB2 -0.39 0.03 0.08 -0.04 3.95 3.63 2foyB1 SER 125 HB3 -1.36 -0.00 0.04 -0.04 3.93 2.56 2foyB1 ALA 126 H -0.29 0.07 -0.19 -0.55 8.40 7.45 2foyB1 ALA 126 HA -0.13 0.15 0.64 -0.75 4.34 4.25 2foyB1 ALA 126 HB3 -0.18 -0.01 0.08 -0.04 1.41 1.26 2foyB1 LYS 127 H -0.28 0.04 -0.13 -0.55 8.42 7.51 2foyB1 LYS 127 HA -0.26 0.21 0.84 -0.75 4.32 4.35 2foyB1 LYS 127 HB2 -0.35 -0.05 -0.04 -0.04 1.87 1.40 2foyB1 LYS 127 HB3 -0.95 0.04 -0.00 -0.04 1.79 0.83 2foyB1 LYS 127 HG2 -0.78 -0.01 -0.01 -0.04 1.46 0.62 2foyB1 LYS 127 HG3 -0.29 0.02 0.07 -0.04 1.46 1.22 2foyB1 LYS 127 HD2 -0.17 -0.00 -0.03 -0.04 1.69 1.45 2foyB1 LYS 127 HD3 -0.26 -0.01 -0.04 -0.04 1.68 1.33 2foyB1 LYS 127 HE2 -0.08 0.01 0.00 -0.04 2.99 2.87 2foyB1 LYS 127 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 2foyB1 TYR 128 H -0.06 0.28 0.04 -0.55 8.29 8.00 2foyB1 TYR 128 HA 0.03 0.17 0.88 -0.75 4.56 4.89 2foyB1 TYR 128 HB2 0.18 0.16 0.05 -0.04 3.06 3.41 2foyB1 TYR 128 HB3 -0.01 -0.19 0.08 -0.04 2.98 2.83 2foyB1 TYR 128 HD2 0.02 0.05 0.03 -0.04 7.15 7.21 2foyB1 TYR 128 HE2 -0.00 0.02 -0.13 -0.04 6.85 6.69 2foyB1 SER 129 H 0.15 0.07 0.14 -0.55 8.46 8.28 2foyB1 SER 129 HA 0.25 0.32 0.89 -0.75 4.49 5.20 2foyB1 SER 129 HB2 0.04 -0.05 0.06 -0.04 3.95 3.96 2foyB1 SER 129 HB3 0.07 0.02 0.13 -0.04 3.93 4.11 2foyB1 SER 130 H -0.19 0.14 0.04 -0.55 8.46 7.91 2foyB1 SER 130 HA -0.87 0.27 0.53 -0.75 4.49 3.66 2foyB1 SER 130 HB2 -0.36 -0.06 0.16 -0.04 3.95 3.65 2foyB1 SER 130 HB3 -0.18 0.24 -0.14 -0.04 3.93 3.81 2foyB1 LEU 131 H -1.12 0.26 0.15 -0.55 8.37 7.11 2foyB1 LEU 131 HA -1.30 0.12 0.42 -0.75 4.35 2.84 2foyB1 LEU 131 HB2 -1.28 0.09 0.09 -0.04 1.64 0.50 2foyB1 LEU 131 HB3 -0.64 -0.03 0.13 -0.04 1.64 1.06 2foyB1 LEU 131 HG -0.45 0.00 -0.25 -0.04 1.64 0.91 2foyB1 LEU 131 HD13 -0.76 0.00 -0.05 -0.04 0.93 0.08 2foyB1 LEU 131 HD23 -0.56 0.02 -0.05 -0.04 0.89 0.26 2foyB1 ALA 132 H -0.43 0.08 -0.08 -0.55 8.40 7.43 2foyB1 ALA 132 HA -0.22 0.13 0.33 -0.75 4.34 3.83 2foyB1 ALA 132 HB3 -0.17 0.02 0.03 -0.04 1.41 1.24 2foyB1 GLU 133 H -0.32 -0.00 -0.41 -0.55 8.60 7.32 2foyB1 GLU 133 HA -0.22 0.14 0.50 -0.75 4.29 3.96 2foyB1 GLU 133 HB2 -0.14 0.01 0.05 -0.04 2.09 1.98 2foyB1 GLU 133 HB3 -0.19 -0.09 0.13 -0.04 1.99 1.79 2foyB1 GLU 133 HG2 -0.31 0.06 -0.28 -0.04 2.34 1.76 2foyB1 GLU 133 HG3 -0.17 0.04 0.01 -0.04 2.34 2.18 2foyB1 ALA 134 H -0.39 0.40 -0.07 -0.55 8.40 7.79 2foyB1 ALA 134 HA -0.75 0.05 0.53 -0.75 4.34 3.42 2foyB1 ALA 134 HB3 0.03 0.01 0.13 -0.04 1.41 1.54 2foyB1 ALA 135 H -0.28 0.56 -0.18 -0.55 8.40 7.96 2foyB1 ALA 135 HA -0.08 0.02 0.24 -0.75 4.34 3.76 2foyB1 ALA 135 HB3 -0.08 0.01 0.02 -0.04 1.41 1.32 2foyB1 SER 136 H -0.34 0.19 -0.43 -0.55 8.46 7.33 2foyB1 SER 136 HA -0.63 0.17 0.83 -0.75 4.49 4.10 2foyB1 SER 136 HB2 -0.54 -0.03 0.10 -0.04 3.95 3.44 2foyB1 SER 136 HB3 -0.91 -0.02 -0.04 -0.04 3.93 2.92 2foyB1 LYS 137 H -0.26 0.41 -0.13 -0.55 8.42 7.89 2foyB1 LYS 137 HA -0.12 0.09 0.65 -0.75 4.32 4.19 2foyB1 LYS 137 HB2 -0.24 0.06 0.16 -0.04 1.87 1.81 2foyB1 LYS 137 HB3 -0.01 -0.11 0.06 -0.04 1.79 1.69 2foyB1 LYS 137 HG2 -0.53 0.13 0.10 -0.04 1.46 1.12 2foyB1 LYS 137 HG3 -1.40 -0.04 0.01 -0.04 1.46 -0.01 2foyB1 LYS 137 HD2 -0.05 -0.04 0.02 -0.04 1.69 1.57 2foyB1 LYS 137 HD3 -0.17 0.03 -0.09 -0.04 1.68 1.41 2foyB1 LYS 137 HE2 -0.16 -0.03 -0.02 -0.04 2.99 2.74 2foyB1 LYS 137 HE3 -0.08 -0.02 -0.01 -0.04 2.99 2.83 2foyB1 ALA 138 H 0.01 0.11 0.19 -0.55 8.40 8.17 2foyB1 ALA 138 HA 0.04 0.30 0.49 -0.75 4.34 4.41 2foyB1 ALA 138 HB3 0.05 -0.01 0.12 -0.04 1.41 1.53 2foyB1 ASP 139 H 0.13 -0.01 -0.24 -0.55 8.40 7.73 2foyB1 ASP 139 HA 0.17 0.28 0.78 -0.75 4.63 5.10 2foyB1 ASP 139 HB2 0.20 -0.00 0.12 -0.04 2.71 2.99 2foyB1 ASP 139 HB3 0.14 0.01 -0.03 -0.04 2.70 2.77 2foyB1 GLY 140 H 0.11 0.56 -0.38 -0.55 8.43 8.17 2foyB1 GLY 140 HA2 0.32 -0.10 0.51 -0.51 4.01 4.23 2foyB1 GLY 140 HA3 0.05 0.35 0.40 -0.51 4.01 4.30 2foyB1 LEU 141 H 0.13 0.69 0.11 -0.55 8.37 8.75 2foyB1 LEU 141 HA 0.29 0.19 1.16 -0.75 4.35 5.24 2foyB1 LEU 141 HB2 0.01 0.02 -0.17 -0.04 1.64 1.47 2foyB1 LEU 141 HB3 0.09 -0.04 0.00 -0.04 1.64 1.65 2foyB1 LEU 141 HG 0.06 0.06 -0.29 -0.04 1.64 1.43 2foyB1 LEU 141 HD13 0.08 -0.03 -0.12 -0.04 0.93 0.82 2foyB1 LEU 141 HD23 0.16 0.02 -0.18 -0.04 0.89 0.85 2foyB1 ALA 142 H 0.07 0.55 0.23 -0.55 8.40 8.70 2foyB1 ALA 142 HA -0.27 0.24 0.84 -0.75 4.34 4.40 2foyB1 ALA 142 HB3 -0.85 -0.01 -0.09 -0.04 1.41 0.42 2foyB1 VAL 143 H -0.50 0.46 0.14 -0.55 8.24 7.79 2foyB1 VAL 143 HA -0.16 0.36 1.17 -0.75 4.13 4.74 2foyB1 VAL 143 HB -1.82 -0.03 -0.05 -0.04 2.12 0.18 2foyB1 VAL 143 HG13 -0.38 0.01 -0.31 -0.04 0.97 0.25 2foyB1 VAL 143 HG23 -0.47 -0.02 -0.27 -0.04 0.95 0.15 2foyB1 ILE 144 H -0.01 0.59 0.33 -0.55 8.25 8.61 2foyB1 ILE 144 HA 0.04 0.27 0.98 -0.75 4.18 4.71 2foyB1 ILE 144 HB 0.07 -0.08 0.18 -0.04 1.89 2.02 2foyB1 ILE 144 HG12 -0.07 0.04 -0.04 -0.04 1.49 1.37 2foyB1 ILE 144 HG13 -0.01 -0.00 -0.08 -0.04 1.21 1.08 2foyB1 ILE 144 HG23 0.04 0.00 -0.12 -0.04 0.93 0.81 2foyB1 ILE 144 HD13 0.01 -0.01 -0.08 -0.04 0.88 0.76 2foyB1 GLY 145 H 0.22 0.78 0.48 -0.55 8.43 9.36 2foyB1 GLY 145 HA2 0.41 0.41 1.17 -0.51 4.01 5.50 2foyB1 GLY 145 HA3 0.38 -0.07 0.35 -0.51 4.01 4.17 2foyB1 VAL 146 H 0.20 0.56 0.33 -0.55 8.24 8.78 2foyB1 VAL 146 HA 0.10 0.19 1.04 -0.75 4.13 4.70 2foyB1 VAL 146 HB 0.10 -0.09 0.12 -0.04 2.12 2.21 2foyB1 VAL 146 HG13 0.07 0.08 -0.05 -0.04 0.97 1.02 2foyB1 VAL 146 HG23 0.07 0.02 -0.19 -0.04 0.95 0.81 2foyB1 LEU 147 H 0.02 0.26 0.13 -0.55 8.37 8.23 2foyB1 LEU 147 HA 0.03 0.10 0.69 -0.75 4.35 4.42 2foyB1 LEU 147 HB2 -0.38 0.00 0.05 -0.04 1.64 1.27 2foyB1 LEU 147 HB3 -0.80 -0.01 0.00 -0.04 1.64 0.79 2foyB1 LEU 147 HG -0.03 0.00 -0.03 -0.04 1.64 1.54 2foyB1 LEU 147 HD13 -0.35 0.02 -0.11 -0.04 0.93 0.45 2foyB1 LEU 147 HD23 -0.02 -0.02 -0.07 -0.04 0.89 0.74 2foyB1 MET 148 H 0.17 0.60 0.29 -0.55 8.47 8.98 2foyB1 MET 148 HA 0.17 0.32 0.91 -0.75 4.52 5.16 2foyB1 MET 148 HB2 0.26 -0.11 -0.08 -0.04 2.15 2.18 2foyB1 MET 148 HB3 0.21 0.01 -0.23 -0.04 2.03 1.98 2foyB1 MET 148 HG2 0.23 0.07 -0.26 -0.04 2.63 2.62 2foyB1 MET 148 HG3 0.22 0.06 -0.34 -0.04 2.56 2.46 2foyB1 MET 148 HE3 0.28 0.00 -0.17 -0.04 2.10 2.18 2foyB1 LYS 149 H 0.20 0.63 0.25 -0.55 8.42 8.94 2foyB1 LYS 149 HA 0.24 -0.00 0.89 -0.75 4.32 4.69 2foyB1 LYS 149 HB2 0.42 -0.01 -0.01 -0.04 1.87 2.23 2foyB1 LYS 149 HB3 0.18 0.00 0.06 -0.04 1.79 1.99 2foyB1 LYS 149 HG2 0.07 0.19 -0.24 -0.04 1.46 1.44 2foyB1 LYS 149 HG3 0.01 -0.01 0.03 -0.04 1.46 1.45 2foyB1 LYS 149 HD2 0.14 -0.01 -0.03 -0.04 1.69 1.75 2foyB1 LYS 149 HD3 0.10 -0.04 -0.06 -0.04 1.68 1.64 2foyB1 LYS 149 HE2 0.03 -0.03 -0.01 -0.04 2.99 2.94 2foyB1 LYS 149 HE3 0.02 0.03 -0.01 -0.04 2.99 2.99 2foyB1 VAL 150 H 0.08 0.10 0.20 -0.55 8.24 8.07 2foyB1 VAL 150 HA 0.06 0.30 0.45 -0.75 4.13 4.18 2foyB1 VAL 150 HB 0.05 0.03 0.13 -0.04 2.12 2.29 2foyB1 VAL 150 HG13 0.01 -0.01 0.05 -0.04 0.97 0.98 2foyB1 VAL 150 HG23 0.02 -0.01 -0.05 -0.04 0.95 0.86 2foyB1 GLY 151 H 0.03 0.56 0.28 -0.55 8.43 8.75 2foyB1 GLY 151 HA2 0.02 0.02 0.36 -0.51 4.01 3.89 2foyB1 GLY 151 HA3 0.03 0.05 0.50 -0.51 4.01 4.08 2foyB1 GLU 152 H 0.02 0.15 0.10 -0.55 8.60 8.33 2foyB1 GLU 152 HA 0.01 0.04 0.47 -0.75 4.29 4.05 2foyB1 GLU 152 HB2 0.02 0.01 0.05 -0.04 2.09 2.14 2foyB1 GLU 152 HB3 0.01 0.08 0.06 -0.04 1.99 2.10 2foyB1 GLU 152 HG2 0.01 0.00 0.04 -0.04 2.34 2.36 2foyB1 GLU 152 HG3 0.01 -0.03 0.07 -0.04 2.34 2.35 2foyB1 ALA 153 H -0.00 0.11 0.15 -0.55 8.40 8.11 2foyB1 ALA 153 HA -0.01 -0.13 0.41 -0.75 4.34 3.85 2foyB1 ALA 153 HB3 -0.02 0.02 0.05 -0.04 1.41 1.43 2foyB1 ASN 154 H -0.00 0.05 0.10 -0.55 8.53 8.13 2foyB1 ASN 154 HA 0.04 0.23 0.72 -0.75 4.76 4.99 2foyB1 ASN 154 HB2 0.05 0.22 -0.15 -0.04 2.88 2.96 2foyB1 ASN 154 HB3 0.05 -0.09 0.19 -0.04 2.79 2.89 2foyB1 ASN 154 HD21 0.10 0.07 0.01 -0.04 7.03 7.17 2foyB1 ASN 154 HD22 0.10 0.47 0.09 -0.04 7.74 8.36 2foyB1 PRO 155 HA 0.03 0.05 0.43 -0.51 4.44 4.45 2foyB1 PRO 155 HB2 0.04 0.06 0.00 -0.04 2.28 2.34 2foyB1 PRO 155 HB3 0.02 0.04 0.07 -0.04 2.02 2.11 2foyB1 PRO 155 HG2 0.04 0.04 0.06 -0.04 2.03 2.13 2foyB1 PRO 155 HG3 0.03 0.08 0.06 -0.04 2.03 2.16 2foyB1 PRO 155 HD2 0.04 0.12 0.26 -0.04 3.68 4.05 2foyB1 PRO 155 HD3 0.02 0.26 0.12 -0.04 3.65 4.01 2foyB1 LYS 156 H 0.07 0.15 -0.27 -0.55 8.42 7.82 2foyB1 LYS 156 HA 0.12 0.09 0.36 -0.75 4.32 4.14 2foyB1 LYS 156 HB2 0.12 -0.00 -0.05 -0.04 1.87 1.89 2foyB1 LYS 156 HB3 0.13 0.07 -0.06 -0.04 1.79 1.89 2foyB1 LYS 156 HG2 0.06 -0.14 0.04 -0.04 1.46 1.38 2foyB1 LYS 156 HG3 0.06 0.17 0.04 -0.04 1.46 1.69 2foyB1 LYS 156 HD2 0.06 0.07 0.02 -0.04 1.69 1.80 2foyB1 LYS 156 HD3 0.06 -0.10 -0.02 -0.04 1.68 1.58 2foyB1 LYS 156 HE2 0.03 -0.04 0.02 -0.04 2.99 2.95 2foyB1 LYS 156 HE3 0.03 -0.08 0.01 -0.04 2.99 2.91 2foyB1 LEU 157 H 0.10 0.32 -0.45 -0.55 8.37 7.78 2foyB1 LEU 157 HA 0.22 0.15 0.56 -0.75 4.35 4.52 2foyB1 LEU 157 HB2 0.02 0.10 0.04 -0.04 1.64 1.76 2foyB1 LEU 157 HB3 0.04 -0.04 0.05 -0.04 1.64 1.65 2foyB1 LEU 157 HG 0.12 -0.03 -0.02 -0.04 1.64 1.68 2foyB1 LEU 157 HD13 -0.00 -0.01 0.01 -0.04 0.93 0.89 2foyB1 LEU 157 HD23 0.30 0.02 -0.10 -0.04 0.89 1.07 2foyB1 GLN 158 H 0.08 0.42 -0.29 -0.55 8.47 8.13 2foyB1 GLN 158 HA 0.01 -0.01 0.30 -0.75 4.36 3.92 2foyB1 GLN 158 HB2 0.04 0.03 0.15 -0.04 2.15 2.33 2foyB1 GLN 158 HB3 0.06 0.04 0.08 -0.04 2.02 2.16 2foyB1 GLN 158 HG2 0.02 0.02 -0.16 -0.04 2.40 2.24 2foyB1 GLN 158 HG3 0.00 -0.04 0.01 -0.04 2.39 2.32 2foyB1 GLN 158 HE21 0.00 -0.00 -0.02 -0.04 6.97 6.91 2foyB1 GLN 158 HE22 -0.01 -0.02 -0.03 -0.04 7.69 7.60 2foyB1 LYS 159 H 0.13 0.21 -0.21 -0.55 8.42 7.99 2foyB1 LYS 159 HA 0.04 0.06 0.32 -0.75 4.32 3.99 2foyB1 LYS 159 HB2 0.13 0.01 0.06 -0.04 1.87 2.03 2foyB1 LYS 159 HB3 0.09 0.00 -0.01 -0.04 1.79 1.83 2foyB1 LYS 159 HG2 -0.11 0.05 -0.07 -0.04 1.46 1.29 2foyB1 LYS 159 HG3 -0.19 0.01 -0.21 -0.04 1.46 1.03 2foyB1 LYS 159 HD2 -0.04 -0.04 0.03 -0.04 1.69 1.60 2foyB1 LYS 159 HD3 -0.00 -0.02 -0.00 -0.04 1.68 1.61 2foyB1 LYS 159 HE2 -0.20 0.11 -0.02 -0.04 2.99 2.84 2foyB1 LYS 159 HE3 -0.33 -0.00 -0.04 -0.04 2.99 2.58 2foyB1 VAL 160 H 0.15 0.16 -0.29 -0.55 8.24 7.71 2foyB1 VAL 160 HA 0.24 0.07 0.35 -0.75 4.13 4.04 2foyB1 VAL 160 HB 0.25 0.09 0.09 -0.04 2.12 2.51 2foyB1 VAL 160 HG13 0.40 0.00 -0.19 -0.04 0.97 1.14 2foyB1 VAL 160 HG23 0.31 -0.01 -0.05 -0.04 0.95 1.16 2foyB1 LEU 161 H 0.05 0.55 -0.06 -0.55 8.37 8.36 2foyB1 LEU 161 HA -0.09 0.05 0.35 -0.75 4.35 3.91 2foyB1 LEU 161 HB2 -0.05 0.04 0.04 -0.04 1.64 1.64 2foyB1 LEU 161 HB3 -0.12 -0.03 -0.04 -0.04 1.64 1.42 2foyB1 LEU 161 HG -0.07 0.11 -0.03 -0.04 1.64 1.62 2foyB1 LEU 161 HD13 -0.17 -0.04 -0.11 -0.04 0.93 0.57 2foyB1 LEU 161 HD23 -0.40 0.00 -0.05 -0.04 0.89 0.40 2foyB1 ASP 162 H 0.01 0.66 -0.18 -0.55 8.40 8.34 2foyB1 ASP 162 HA -0.03 0.00 0.39 -0.75 4.63 4.24 2foyB1 ASP 162 HB2 0.01 0.12 0.04 -0.04 2.71 2.84 2foyB1 ASP 162 HB3 -0.01 -0.05 0.03 -0.04 2.70 2.63 2foyB1 ALA 163 H 0.03 0.37 -0.49 -0.55 8.40 7.76 2foyB1 ALA 163 HA 0.02 0.06 0.52 -0.75 4.34 4.19 2foyB1 ALA 163 HB3 0.15 0.05 0.05 -0.04 1.41 1.62 2foyB1 LEU 164 H -0.10 0.37 -0.32 -0.55 8.37 7.78 2foyB1 LEU 164 HA -0.18 0.05 0.23 -0.75 4.35 3.69 2foyB1 LEU 164 HB2 -0.14 0.10 0.02 -0.04 1.64 1.57 2foyB1 LEU 164 HB3 -0.19 0.01 -0.06 -0.04 1.64 1.36 2foyB1 LEU 164 HG -0.25 0.12 0.04 -0.04 1.64 1.52 2foyB1 LEU 164 HD13 -0.19 -0.01 -0.12 -0.04 0.93 0.57 2foyB1 LEU 164 HD23 -0.91 -0.02 -0.12 -0.04 0.89 -0.20 2foyB1 GLN 165 H -0.06 0.25 -0.36 -0.55 8.47 7.76 2foyB1 GLN 165 HA -0.05 0.06 0.32 -0.75 4.36 3.94 2foyB1 GLN 165 HB2 -0.03 -0.03 0.06 -0.04 2.15 2.11 2foyB1 GLN 165 HB3 -0.04 -0.02 0.06 -0.04 2.02 1.98 2foyB1 GLN 165 HG2 -0.03 -0.06 0.01 -0.04 2.40 2.28 2foyB1 GLN 165 HG3 -0.04 0.18 0.00 -0.04 2.39 2.50 2foyB1 GLN 165 HE21 -0.01 -0.07 -0.03 -0.04 6.97 6.82 2foyB1 GLN 165 HE22 -0.02 0.39 0.12 -0.04 7.69 8.15 2foyB1 ALA 166 H -0.04 0.43 -0.54 -0.55 8.40 7.70 2foyB1 ALA 166 HA -0.02 0.11 0.74 -0.75 4.34 4.42 2foyB1 ALA 166 HB3 -0.01 0.02 0.04 -0.04 1.41 1.43 2foyB1 ILE 167 H -0.05 0.49 -0.28 -0.55 8.25 7.86 2foyB1 ILE 167 HA -0.03 0.10 0.70 -0.75 4.18 4.21 2foyB1 ILE 167 HB -0.03 0.00 0.03 -0.04 1.89 1.85 2foyB1 ILE 167 HG12 -0.09 0.06 -0.17 -0.04 1.49 1.25 2foyB1 ILE 167 HG13 -0.11 0.13 -0.08 -0.04 1.21 1.11 2foyB1 ILE 167 HG23 -0.02 -0.00 -0.44 -0.04 0.93 0.42 2foyB1 ILE 167 HD13 -0.11 -0.03 -0.27 -0.04 0.88 0.42 2foyB1 LYS 168 H -0.03 0.15 -0.18 -0.55 8.42 7.80 2foyB1 LYS 168 HA -0.04 0.10 0.37 -0.75 4.32 3.99 2foyB1 LYS 168 HB2 -0.03 0.09 0.08 -0.04 1.87 1.97 2foyB1 LYS 168 HB3 -0.02 -0.06 0.01 -0.04 1.79 1.68 2foyB1 LYS 168 HG2 -0.02 -0.04 -0.00 -0.04 1.46 1.35 2foyB1 LYS 168 HG3 -0.02 -0.04 0.03 -0.04 1.46 1.40 2foyB1 LYS 168 HD2 -0.04 0.02 -0.01 -0.04 1.69 1.62 2foyB1 LYS 168 HD3 -0.04 -0.02 -0.04 -0.04 1.68 1.54 2foyB1 LYS 168 HE2 -0.03 -0.09 -0.02 -0.04 2.99 2.81 2foyB1 LYS 168 HE3 -0.02 0.29 0.02 -0.04 2.99 3.23 2foyB1 THR 169 H -0.02 0.02 -0.14 -0.55 8.28 7.59 2foyB1 THR 169 HA -0.01 0.36 1.02 -0.75 4.39 5.01 2foyB1 THR 169 HB -0.01 0.13 0.07 -0.04 4.32 4.46 2foyB1 THR 169 HG23 -0.01 -0.04 -0.22 -0.04 1.22 0.91 2foyB1 LYS 170 H -0.02 0.57 0.04 -0.55 8.42 8.46 2foyB1 LYS 170 HA -0.04 -0.04 0.31 -0.75 4.32 3.79 2foyB1 LYS 170 HB2 -0.04 0.21 -0.11 -0.04 1.87 1.90 2foyB1 LYS 170 HB3 -0.03 -0.14 -0.19 -0.04 1.79 1.40 2foyB1 LYS 170 HG2 -0.04 -0.02 -0.27 -0.04 1.46 1.09 2foyB1 LYS 170 HG3 -0.06 -0.08 -0.17 -0.04 1.46 1.11 2foyB1 LYS 170 HD2 -0.06 0.19 0.05 -0.04 1.69 1.82 2foyB1 LYS 170 HD3 -0.04 -0.10 -0.05 -0.04 1.68 1.45 2foyB1 LYS 170 HE2 -0.05 -0.05 -0.07 -0.04 2.99 2.79 2foyB1 LYS 170 HE3 -0.07 0.07 -0.13 -0.04 2.99 2.82 2foyB1 GLY 171 H -0.04 0.59 0.30 -0.55 8.43 8.73 2foyB1 GLY 171 HA2 -0.03 -0.01 0.43 -0.51 4.01 3.89 2foyB1 GLY 171 HA3 -0.02 0.07 0.71 -0.51 4.01 4.25 2foyB1 LYS 172 H -0.02 0.46 -0.16 -0.55 8.42 8.14 2foyB1 LYS 172 HA -0.01 0.03 0.61 -0.75 4.32 4.19 2foyB1 LYS 172 HB2 -0.02 0.03 0.12 -0.04 1.87 1.96 2foyB1 LYS 172 HB3 -0.02 0.13 0.17 -0.04 1.79 2.03 2foyB1 LYS 172 HG2 -0.01 -0.01 0.03 -0.04 1.46 1.43 2foyB1 LYS 172 HG3 -0.02 0.07 -0.04 -0.04 1.46 1.43 2foyB1 LYS 172 HD2 -0.01 -0.07 0.01 -0.04 1.69 1.58 2foyB1 LYS 172 HD3 -0.02 -0.21 -0.02 -0.04 1.68 1.39 2foyB1 LYS 172 HE2 -0.01 0.25 0.13 -0.04 2.99 3.32 2foyB1 LYS 172 HE3 -0.01 -0.04 0.07 -0.04 2.99 2.96 2foyB1 ARG 173 H -0.01 0.24 0.34 -0.55 8.46 8.49 2foyB1 ARG 173 HA -0.01 0.25 0.93 -0.75 4.34 4.76 2foyB1 ARG 173 HB2 0.00 -0.00 0.09 -0.04 1.90 1.95 2foyB1 ARG 173 HB3 -0.00 0.03 -0.13 -0.04 1.80 1.66 2foyB1 ARG 173 HG2 0.00 -0.04 0.10 -0.04 1.67 1.69 2foyB1 ARG 173 HG3 0.01 -0.03 -0.14 -0.04 1.67 1.46 2foyB1 ARG 173 HD2 0.01 -0.05 -0.02 -0.04 3.22 3.11 2foyB1 ARG 173 HD3 0.01 -0.03 -0.06 -0.04 3.22 3.09 2foyB1 ALA 174 H 0.01 0.54 0.38 -0.55 8.40 8.79 2foyB1 ALA 174 HA 0.01 0.11 0.72 -0.75 4.34 4.43 2foyB1 ALA 174 HB3 0.02 0.03 -0.03 -0.04 1.41 1.39 2foyB1 PRO 175 HA 0.04 0.21 0.67 -0.51 4.44 4.86 2foyB1 PRO 175 HB2 0.01 -0.03 0.07 -0.04 2.28 2.29 2foyB1 PRO 175 HB3 0.02 0.05 0.11 -0.04 2.02 2.16 2foyB1 PRO 175 HG2 0.01 0.01 0.10 -0.04 2.03 2.11 2foyB1 PRO 175 HG3 0.02 0.04 0.09 -0.04 2.03 2.13 2foyB1 PRO 175 HD2 0.01 0.10 0.25 -0.04 3.68 4.00 2foyB1 PRO 175 HD3 0.01 0.13 0.25 -0.04 3.65 4.01 2foyB1 PHE 176 H 0.10 0.65 -0.07 -0.55 8.34 8.47 2foyB1 PHE 176 HA -0.04 0.11 0.60 -0.75 4.62 4.54 2foyB1 PHE 176 HB2 -0.07 0.04 -0.26 -0.04 3.15 2.82 2foyB1 PHE 176 HB3 -0.12 -0.08 -0.16 -0.04 3.06 2.65 2foyB1 PHE 176 HD2 -0.10 0.00 -0.18 -0.04 7.28 6.96 2foyB1 PHE 176 HE2 -0.25 0.01 -0.20 -0.04 7.38 6.91 2foyB1 PHE 176 HZ -0.55 -0.10 -0.24 -0.04 7.32 6.39 2foyB1 THR 177 H -0.20 0.17 -0.04 -0.55 8.28 7.66 2foyB1 THR 177 HA 0.01 0.30 0.88 -0.75 4.39 4.82 2foyB1 THR 177 HB 0.01 -0.07 0.09 -0.04 4.32 4.31 2foyB1 THR 177 HG23 0.01 0.04 -0.15 -0.04 1.22 1.08 2foyB1 ASN 178 H 0.05 0.20 0.15 -0.55 8.53 8.39 2foyB1 ASN 178 HA 0.09 0.06 0.25 -0.75 4.76 4.41 2foyB1 ASN 178 HB2 0.03 -0.02 -0.03 -0.04 2.88 2.81 2foyB1 ASN 178 HB3 0.01 0.12 -0.05 -0.04 2.79 2.83 2foyB1 ASN 178 HD21 0.03 -0.03 0.01 -0.04 7.03 7.00 2foyB1 ASN 178 HD22 0.02 0.03 0.05 -0.04 7.74 7.80 2foyB1 PHE 179 H 0.26 0.39 0.11 -0.55 8.34 8.54 2foyB1 PHE 179 HA 0.11 0.11 0.70 -0.75 4.62 4.79 2foyB1 PHE 179 HB2 0.03 0.18 -0.39 -0.04 3.15 2.92 2foyB1 PHE 179 HB3 0.36 -0.03 -0.16 -0.04 3.06 3.19 2foyB1 PHE 179 HD2 0.40 0.03 -0.17 -0.04 7.28 7.51 2foyB1 PHE 179 HE2 0.07 -0.00 -0.11 -0.04 7.38 7.30 2foyB1 PHE 179 HZ 0.15 0.04 -0.10 -0.04 7.32 7.37 2foyB1 ASP 180 H -0.44 0.24 0.05 -0.55 8.40 7.70 2foyB1 ASP 180 HA 0.04 0.19 0.69 -0.75 4.63 4.80 2foyB1 ASP 180 HB2 -0.02 0.04 -0.02 -0.04 2.71 2.67 2foyB1 ASP 180 HB3 -0.14 0.02 0.16 -0.04 2.70 2.70 2foyB1 PRO 181 HA -0.23 0.12 0.40 -0.51 4.44 4.23 2foyB1 PRO 181 HB2 -0.27 0.05 -0.03 -0.04 2.28 1.99 2foyB1 PRO 181 HB3 -0.03 0.07 -0.02 -0.04 2.02 1.99 2foyB1 PRO 181 HG2 -0.55 0.02 -0.08 -0.04 2.03 1.38 2foyB1 PRO 181 HG3 -0.61 0.09 -0.07 -0.04 2.03 1.40 2foyB1 PRO 181 HD2 -0.07 0.05 0.12 -0.04 3.68 3.73 2foyB1 PRO 181 HD3 0.35 0.28 -0.04 -0.04 3.65 4.20 2foyB1 SER 182 H 0.14 0.09 -0.44 -0.55 8.46 7.70 2foyB1 SER 182 HA 0.07 0.12 0.39 -0.75 4.49 4.32 2foyB1 SER 182 HB2 -0.08 0.09 0.06 -0.04 3.95 3.97 2foyB1 SER 182 HB3 -0.04 -0.05 -0.00 -0.04 3.93 3.79 2foyB1 THR 183 H -0.12 0.31 -0.43 -0.55 8.28 7.49 2foyB1 THR 183 HA -0.03 0.10 0.38 -0.75 4.39 4.08 2foyB1 THR 183 HB -0.03 -0.04 0.08 -0.04 4.32 4.29 2foyB1 THR 183 HG23 -0.11 -0.02 0.05 -0.04 1.22 1.10 2foyB1 LEU 184 H -0.03 0.38 -0.52 -0.55 8.37 7.65 2foyB1 LEU 184 HA 0.08 0.06 0.58 -0.75 4.35 4.31 2foyB1 LEU 184 HB2 -0.04 0.14 -0.01 -0.04 1.64 1.69 2foyB1 LEU 184 HB3 0.09 -0.06 -0.00 -0.04 1.64 1.62 2foyB1 LEU 184 HG 0.11 -0.06 -0.09 -0.04 1.64 1.56 2foyB1 LEU 184 HD13 -0.11 -0.01 -0.07 -0.04 0.93 0.71 2foyB1 LEU 184 HD23 0.27 0.01 -0.21 -0.04 0.89 0.93 2foyB1 LEU 185 H 0.00 0.23 -0.33 -0.55 8.37 7.73 2foyB1 LEU 185 HA 0.03 0.05 0.43 -0.75 4.35 4.10 2foyB1 LEU 185 HB2 -0.01 0.12 0.02 -0.04 1.64 1.73 2foyB1 LEU 185 HB3 -0.00 0.05 0.03 -0.04 1.64 1.68 2foyB1 LEU 185 HG 0.02 -0.06 0.04 -0.04 1.64 1.60 2foyB1 LEU 185 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.84 2foyB1 LEU 185 HD23 0.02 -0.01 -0.12 -0.04 0.89 0.74 2foyB1 PRO 186 HA 0.02 0.03 0.43 -0.51 4.44 4.40 2foyB1 PRO 186 HB2 -0.01 -0.13 0.02 -0.04 2.28 2.12 2foyB1 PRO 186 HB3 0.02 0.12 -0.12 -0.04 2.02 1.99 2foyB1 PRO 186 HG2 -0.01 0.17 0.03 -0.04 2.03 2.18 2foyB1 PRO 186 HG3 0.00 0.15 0.07 -0.04 2.03 2.21 2foyB1 PRO 186 HD2 0.02 0.03 0.16 -0.04 3.68 3.85 2foyB1 PRO 186 HD3 0.03 0.12 0.10 -0.04 3.65 3.87 2foyB1 SER 187 H -0.00 0.06 0.14 -0.55 8.46 8.11 2foyB1 SER 187 HA -0.01 0.11 0.36 -0.75 4.49 4.19 2foyB1 SER 187 HB2 -0.01 0.01 0.15 -0.04 3.95 4.06 2foyB1 SER 187 HB3 -0.02 -0.08 0.14 -0.04 3.93 3.93 2foyB1 SER 188 H -0.03 0.02 -0.05 -0.55 8.46 7.85 2foyB1 SER 188 HA -0.04 0.14 0.73 -0.75 4.49 4.57 2foyB1 SER 188 HB2 -0.06 0.03 0.06 -0.04 3.95 3.95 2foyB1 SER 188 HB3 -0.08 -0.02 0.12 -0.04 3.93 3.90 2foyB1 LEU 189 H -0.03 0.14 0.11 -0.55 8.37 8.05 2foyB1 LEU 189 HA -0.02 0.29 0.96 -0.75 4.35 4.83 2foyB1 LEU 189 HB2 0.00 -0.02 0.12 -0.04 1.64 1.71 2foyB1 LEU 189 HB3 0.01 -0.04 0.18 -0.04 1.64 1.75 2foyB1 LEU 189 HG -0.03 0.09 -0.20 -0.04 1.64 1.46 2foyB1 LEU 189 HD13 -0.05 -0.00 -0.02 -0.04 0.93 0.81 2foyB1 LEU 189 HD23 -0.02 0.04 -0.13 -0.04 0.89 0.74 2foyB1 ASP 190 H -0.12 0.02 -0.19 -0.55 8.40 7.56 2foyB1 ASP 190 HA -0.03 0.09 0.43 -0.75 4.63 4.37 2foyB1 ASP 190 HB2 -0.54 -0.06 0.05 -0.04 2.71 2.12 2foyB1 ASP 190 HB3 -0.73 -0.00 0.01 -0.04 2.70 1.94 2foyB1 PHE 191 H -0.28 0.12 0.24 -0.55 8.34 7.87 2foyB1 PHE 191 HA -0.24 0.14 0.87 -0.75 4.62 4.64 2foyB1 PHE 191 HB2 0.04 0.08 -0.06 -0.04 3.15 3.17 2foyB1 PHE 191 HB3 -0.04 0.09 -0.37 -0.04 3.06 2.69 2foyB1 PHE 191 HD2 0.01 0.20 -0.21 -0.04 7.28 7.23 2foyB1 PHE 191 HE2 -0.05 0.04 -0.09 -0.04 7.38 7.23 2foyB1 PHE 191 HZ -0.08 0.02 -0.10 -0.04 7.32 7.12 2foyB1 TRP 192 H 0.43 0.67 0.36 -0.55 7.97 8.89 2foyB1 TRP 192 HA 0.03 0.28 1.03 -0.75 4.62 5.20 2foyB1 TRP 192 HB2 0.16 -0.02 0.07 -0.04 3.23 3.40 2foyB1 TRP 192 HB3 0.12 0.03 -0.01 -0.04 3.23 3.32 2foyB1 TRP 192 HD1 -0.05 0.06 -0.18 -0.04 7.22 7.01 2foyB1 TRP 192 HE1 0.04 -0.01 -0.09 -0.04 10.20 10.10 2foyB1 TRP 192 HE3 0.11 0.06 -0.18 -0.04 7.59 7.53 2foyB1 TRP 192 HZ2 0.26 -0.03 -0.05 -0.04 7.44 7.58 2foyB1 TRP 192 HZ3 0.04 0.14 -0.11 -0.04 7.13 7.16 2foyB1 TRP 192 HH2 0.09 0.04 -0.00 -0.04 7.19 7.27 2foyB1 THR 193 H 0.31 0.58 0.35 -0.55 8.28 8.98 2foyB1 THR 193 HA 0.34 0.29 0.92 -0.75 4.39 5.19 2foyB1 THR 193 HB 0.39 -0.05 -0.11 -0.04 4.32 4.51 2foyB1 THR 193 HG23 0.13 -0.02 -0.06 -0.04 1.22 1.23 2foyB1 TYR 194 H 0.11 0.43 0.31 -0.55 8.29 8.58 2foyB1 TYR 194 HA 0.09 0.17 0.61 -0.75 4.56 4.68 2foyB1 TYR 194 HB2 0.07 0.12 0.05 -0.04 3.06 3.27 2foyB1 TYR 194 HB3 0.08 -0.07 -0.19 -0.04 2.98 2.76 2foyB1 TYR 194 HD2 0.11 0.10 -0.28 -0.04 7.15 7.03 2foyB1 TYR 194 HE2 -0.04 0.05 -0.23 -0.04 6.85 6.59 2foyB1 PRO 195 HA 0.02 0.12 0.79 -0.51 4.44 4.86 2foyB1 PRO 195 HB2 0.09 0.09 0.06 -0.04 2.28 2.48 2foyB1 PRO 195 HB3 0.07 -0.02 0.11 -0.04 2.02 2.14 2foyB1 PRO 195 HG2 0.16 0.08 0.23 -0.04 2.03 2.45 2foyB1 PRO 195 HG3 0.10 -0.00 0.14 -0.04 2.03 2.23 2foyB1 PRO 195 HD2 0.24 0.12 0.29 -0.04 3.68 4.29 2foyB1 PRO 195 HD3 0.12 0.10 0.20 -0.04 3.65 4.02 2foyB1 GLY 196 H 0.09 0.77 0.33 -0.55 8.43 9.07 2foyB1 GLY 196 HA2 0.23 0.30 0.69 -0.51 4.01 4.71 2foyB1 GLY 196 HA3 0.29 -0.14 0.17 -0.51 4.01 3.82 2foyB1 SER 197 H 0.40 0.11 0.05 -0.55 8.46 8.47 2foyB1 SER 197 HA 0.17 -0.02 1.02 -0.75 4.49 4.90 2foyB1 SER 197 HB2 0.11 0.13 -0.28 -0.04 3.95 3.86 2foyB1 SER 197 HB3 0.14 0.13 -0.22 -0.04 3.93 3.94 2foyB1 LEU 198 H 0.09 0.42 0.06 -0.55 8.37 8.40 2foyB1 LEU 198 HA 0.15 0.01 0.45 -0.75 4.35 4.20 2foyB1 LEU 198 HB2 -0.13 -0.12 0.08 -0.04 1.64 1.43 2foyB1 LEU 198 HB3 -0.18 0.04 0.04 -0.04 1.64 1.50 2foyB1 LEU 198 HG 0.05 0.10 0.05 -0.04 1.64 1.80 2foyB1 LEU 198 HD13 -0.09 -0.03 -0.01 -0.04 0.93 0.75 2foyB1 LEU 198 HD23 0.02 0.00 -0.08 -0.04 0.89 0.79 2foyB1 THR 199 H 0.19 0.07 0.06 -0.55 8.28 8.05 2foyB1 THR 199 HA 0.13 0.35 0.63 -0.75 4.39 4.74 2foyB1 THR 199 HB 0.12 0.05 0.11 -0.04 4.32 4.56 2foyB1 THR 199 HG23 0.11 -0.02 -0.25 -0.04 1.22 1.02 2foyB1 HIS 200 H -0.24 0.14 -0.27 -0.55 8.41 7.50 2foyB1 HIS 200 HA -0.76 0.17 0.39 -0.75 4.63 3.68 2foyB1 HIS 200 HB2 -1.09 0.04 0.08 -0.04 3.26 2.25 2foyB1 HIS 200 HB3 0.05 0.05 -0.21 -0.04 3.20 3.05 2foyB1 HIS 200 HD2 0.26 -0.01 -0.14 -0.04 6.97 7.04 2foyB1 HIS 200 HE1 0.14 -0.03 -0.07 -0.04 7.75 7.75 2foyB1 PRO 201 HA -1.04 -0.05 0.29 -0.51 4.44 3.12 2foyB1 PRO 201 HB2 -1.56 0.03 -0.02 -0.04 2.28 0.69 2foyB1 PRO 201 HB3 -1.94 0.05 -0.00 -0.04 2.02 0.08 2foyB1 PRO 201 HG2 -2.93 0.06 -0.00 -0.04 2.03 -0.88 2foyB1 PRO 201 HG3 -2.10 0.06 0.00 -0.04 2.03 -0.05 2foyB1 PRO 201 HD2 -3.43 0.12 0.09 -0.04 3.68 0.42 2foyB1 PRO 201 HD3 -2.84 0.18 0.12 -0.04 3.65 1.07 2foyB1 PRO 202 HA -0.73 0.08 0.28 -0.51 4.44 3.56 2foyB1 PRO 202 HB2 -1.08 0.02 0.06 -0.04 2.28 1.24 2foyB1 PRO 202 HB3 -0.44 0.05 0.08 -0.04 2.02 1.66 2foyB1 PRO 202 HG2 -1.06 -0.08 0.00 -0.04 2.03 0.85 2foyB1 PRO 202 HG3 -0.67 0.03 0.04 -0.04 2.03 1.39 2foyB1 PRO 202 HD2 -0.34 0.13 0.39 -0.04 3.68 3.82 2foyB1 PRO 202 HD3 -0.29 0.08 0.11 -0.04 3.65 3.51 2foyB1 LEU 203 H -0.48 0.47 -0.06 -0.55 8.37 7.76 2foyB1 LEU 203 HA -0.17 0.18 0.16 -0.75 4.35 3.76 2foyB1 LEU 203 HB2 -0.17 0.11 -0.30 -0.04 1.64 1.24 2foyB1 LEU 203 HB3 -0.05 0.05 -0.03 -0.04 1.64 1.57 2foyB1 LEU 203 HG -0.60 -0.19 -0.63 -0.04 1.64 0.17 2foyB1 LEU 203 HD13 -0.07 0.00 -0.20 -0.04 0.93 0.62 2foyB1 LEU 203 HD23 -0.06 0.05 -0.34 -0.04 0.89 0.49 2foyB1 TYR 204 H -0.27 -0.00 -0.32 -0.55 8.29 7.16 2foyB1 TYR 204 HA -0.02 0.06 0.33 -0.75 4.56 4.17 2foyB1 TYR 204 HB2 -0.05 -0.05 0.08 -0.04 3.06 3.00 2foyB1 TYR 204 HB3 -0.03 0.08 -0.03 -0.04 2.98 2.96 2foyB1 TYR 204 HD2 -0.05 0.04 -0.06 -0.04 7.15 7.03 2foyB1 TYR 204 HE2 -0.05 -0.02 -0.06 -0.04 6.85 6.68 2foyB1 GLU 205 H 0.14 0.12 0.10 -0.55 8.60 8.42 2foyB1 GLU 205 HA 0.12 0.20 0.69 -0.75 4.29 4.54 2foyB1 GLU 205 HB2 0.07 -0.08 0.21 -0.04 2.09 2.25 2foyB1 GLU 205 HB3 0.09 0.09 0.11 -0.04 1.99 2.23 2foyB1 GLU 205 HG2 0.09 0.16 -0.20 -0.04 2.34 2.36 2foyB1 GLU 205 HG3 0.09 -0.02 0.04 -0.04 2.34 2.41 2foyB1 SER 206 H 0.09 0.28 -0.16 -0.55 8.46 8.12 2foyB1 SER 206 HA 0.04 0.19 0.78 -0.75 4.49 4.75 2foyB1 SER 206 HB2 0.00 -0.03 0.03 -0.04 3.95 3.91 2foyB1 SER 206 HB3 -0.03 -0.10 -0.45 -0.04 3.93 3.31 2foyB1 VAL 207 H 0.06 0.39 -0.01 -0.55 8.24 8.13 2foyB1 VAL 207 HA -0.09 0.29 0.96 -0.75 4.13 4.54 2foyB1 VAL 207 HB -0.03 0.00 -0.37 -0.04 2.12 1.67 2foyB1 VAL 207 HG13 -1.15 -0.04 -0.50 -0.04 0.97 -0.75 2foyB1 VAL 207 HG23 -0.07 -0.02 -0.36 -0.04 0.95 0.47 2foyB1 THR 208 H -0.14 0.59 0.22 -0.55 8.28 8.41 2foyB1 THR 208 HA -0.04 0.12 0.83 -0.75 4.39 4.54 2foyB1 THR 208 HB 0.12 -0.03 0.20 -0.04 4.32 4.56 2foyB1 THR 208 HG23 -0.10 -0.01 -0.15 -0.04 1.22 0.92 2foyB1 TRP 209 H -0.06 0.57 0.25 -0.55 7.97 8.17 2foyB1 TRP 209 HA -0.10 0.17 0.79 -0.75 4.62 4.73 2foyB1 TRP 209 HB2 -0.78 0.07 0.10 -0.04 3.23 2.58 2foyB1 TRP 209 HB3 -0.12 -0.05 -0.09 -0.04 3.23 2.93 2foyB1 TRP 209 HD1 -0.43 0.08 -0.15 -0.04 7.22 6.69 2foyB1 TRP 209 HE1 -0.00 0.27 -0.07 -0.04 10.20 10.35 2foyB1 TRP 209 HE3 -0.09 0.02 -0.13 -0.04 7.59 7.34 2foyB1 TRP 209 HZ2 -0.02 0.07 -0.06 -0.04 7.44 7.38 2foyB1 TRP 209 HZ3 -0.48 -0.01 -0.22 -0.04 7.13 6.37 2foyB1 TRP 209 HH2 -0.77 -0.03 -0.12 -0.04 7.19 6.22 2foyB1 ILE 210 H 0.14 0.62 0.33 -0.55 8.25 8.79 2foyB1 ILE 210 HA 0.16 0.26 0.93 -0.75 4.18 4.78 2foyB1 ILE 210 HB -0.04 -0.06 0.18 -0.04 1.89 1.93 2foyB1 ILE 210 HG12 -0.06 0.06 -0.34 -0.04 1.49 1.11 2foyB1 ILE 210 HG13 -0.13 -0.04 -0.15 -0.04 1.21 0.84 2foyB1 ILE 210 HG23 -0.31 -0.02 -0.13 -0.04 0.93 0.43 2foyB1 ILE 210 HD13 -0.39 0.04 -0.11 -0.04 0.88 0.39 2foyB1 ILE 211 H 0.37 0.70 0.24 -0.55 8.25 9.02 2foyB1 ILE 211 HA 0.21 0.18 1.06 -0.75 4.18 4.87 2foyB1 ILE 211 HB 0.51 -0.07 0.10 -0.04 1.89 2.39 2foyB1 ILE 211 HG12 0.25 0.01 -0.19 -0.04 1.49 1.52 2foyB1 ILE 211 HG13 -0.15 -0.01 -0.10 -0.04 1.21 0.91 2foyB1 ILE 211 HG23 0.23 0.04 -0.13 -0.04 0.93 1.03 2foyB1 ILE 211 HD13 -0.26 0.00 -0.14 -0.04 0.88 0.44 2foyB1 CYS 212 H 0.15 0.57 0.36 -0.55 8.50 9.03 2foyB1 CYS 212 HA 0.06 0.13 0.63 -0.75 4.58 4.64 2foyB1 CYS 212 HB2 -0.01 -0.04 0.17 -0.04 2.97 3.04 2foyB1 CYS 212 HB3 0.04 -0.02 0.13 -0.04 2.97 3.08 2foyB1 LYS 213 H -0.30 0.58 0.24 -0.55 8.42 8.38 2foyB1 LYS 213 HA -0.65 0.06 0.43 -0.75 4.32 3.40 2foyB1 LYS 213 HB2 -1.31 -0.05 -0.08 -0.04 1.87 0.39 2foyB1 LYS 213 HB3 -0.66 -0.03 0.03 -0.04 1.79 1.09 2foyB1 LYS 213 HG2 -0.34 0.01 -0.26 -0.04 1.46 0.83 2foyB1 LYS 213 HG3 -0.55 -0.01 -0.01 -0.04 1.46 0.85 2foyB1 LYS 213 HD2 -0.52 0.00 -0.05 -0.04 1.69 1.08 2foyB1 LYS 213 HD3 -2.34 -0.04 -0.06 -0.04 1.68 -0.80 2foyB1 LYS 213 HE2 -0.69 -0.03 -0.04 -0.04 2.99 2.19 2foyB1 LYS 213 HE3 -0.37 0.01 -0.08 -0.04 2.99 2.50 2foyB1 GLU 214 H -0.14 0.11 -0.02 -0.55 8.60 8.00 2foyB1 GLU 214 HA -0.03 0.10 0.76 -0.75 4.29 4.36 2foyB1 GLU 214 HB2 -0.05 0.08 0.10 -0.04 2.09 2.18 2foyB1 GLU 214 HB3 -0.03 0.04 0.11 -0.04 1.99 2.07 2foyB1 GLU 214 HG2 -0.18 -0.07 0.01 -0.04 2.34 2.07 2foyB1 GLU 214 HG3 -0.09 -0.07 0.05 -0.04 2.34 2.19 2foyB1 SER 215 H 0.04 0.05 0.17 -0.55 8.46 8.17 2foyB1 SER 215 HA 0.02 0.22 0.83 -0.75 4.49 4.80 2foyB1 SER 215 HB2 0.09 0.10 0.09 -0.04 3.95 4.19 2foyB1 SER 215 HB3 -0.01 -0.03 0.01 -0.04 3.93 3.86 2foyB1 ILE 216 H 0.09 0.55 0.38 -0.55 8.25 8.72 2foyB1 ILE 216 HA 0.07 0.11 0.82 -0.75 4.18 4.43 2foyB1 ILE 216 HB 0.09 -0.04 0.09 -0.04 1.89 1.99 2foyB1 ILE 216 HG12 0.12 0.04 -0.07 -0.04 1.49 1.54 2foyB1 ILE 216 HG13 0.14 -0.04 -0.25 -0.04 1.21 1.02 2foyB1 ILE 216 HG23 0.06 0.08 -0.18 -0.04 0.93 0.85 2foyB1 ILE 216 HD13 0.17 0.03 -0.07 -0.04 0.88 0.98 2foyB1 SER 217 H 0.07 0.09 0.12 -0.55 8.46 8.20 2foyB1 SER 217 HA 0.10 0.33 0.87 -0.75 4.49 5.03 2foyB1 SER 217 HB2 0.05 -0.01 0.06 -0.04 3.95 4.01 2foyB1 SER 217 HB3 0.06 -0.05 0.02 -0.04 3.93 3.92 2foyB1 VAL 218 H 0.06 0.41 0.10 -0.55 8.24 8.26 2foyB1 VAL 218 HA 0.01 -0.07 0.47 -0.75 4.13 3.79 2foyB1 VAL 218 HB 0.10 0.16 -0.27 -0.04 2.12 2.07 2foyB1 VAL 218 HG13 0.10 0.00 -0.42 -0.04 0.97 0.61 2foyB1 VAL 218 HG23 -0.07 0.02 -0.08 -0.04 0.95 0.78 2foyB1 SER 219 H -0.05 0.01 0.10 -0.55 8.46 7.98 2foyB1 SER 219 HA -0.01 0.39 0.81 -0.75 4.49 4.93 2foyB1 SER 219 HB2 -0.03 0.03 0.18 -0.04 3.95 4.09 2foyB1 SER 219 HB3 -0.02 0.02 -0.05 -0.04 3.93 3.84 2foyB1 SER 220 H -0.02 0.25 0.20 -0.55 8.46 8.35 2foyB1 SER 220 HA -0.02 0.14 0.42 -0.75 4.49 4.28 2foyB1 SER 220 HB2 -0.02 -0.03 0.14 -0.04 3.95 4.00 2foyB1 SER 220 HB3 -0.01 0.07 0.04 -0.04 3.93 3.99 2foyB1 GLU 221 H -0.05 0.05 -0.15 -0.55 8.60 7.91 2foyB1 GLU 221 HA -0.07 0.17 0.45 -0.75 4.29 4.08 2foyB1 GLU 221 HB2 -0.07 -0.07 0.03 -0.04 2.09 1.95 2foyB1 GLU 221 HB3 -0.07 0.09 -0.01 -0.04 1.99 1.95 2foyB1 GLU 221 HG2 -0.04 0.06 0.01 -0.04 2.34 2.33 2foyB1 GLU 221 HG3 -0.04 0.08 -0.00 -0.04 2.34 2.33 2foyB1 GLN 222 H -0.13 0.01 -0.29 -0.55 8.47 7.51 2foyB1 GLN 222 HA -0.27 0.13 0.44 -0.75 4.36 3.90 2foyB1 GLN 222 HB2 -0.20 0.01 0.12 -0.04 2.15 2.04 2foyB1 GLN 222 HB3 -0.36 0.09 0.01 -0.04 2.02 1.72 2foyB1 GLN 222 HG2 -0.15 0.11 -0.02 -0.04 2.40 2.31 2foyB1 GLN 222 HG3 -0.11 -0.11 0.04 -0.04 2.39 2.17 2foyB1 GLN 222 HE21 -0.02 0.33 0.01 -0.04 6.97 7.25 2foyB1 GLN 222 HE22 -0.07 0.05 -0.07 -0.04 7.69 7.56 2foyB1 LEU 223 H -0.19 0.42 -0.22 -0.55 8.37 7.84 2foyB1 LEU 223 HA -0.39 0.05 0.36 -0.75 4.35 3.62 2foyB1 LEU 223 HB2 -0.06 0.09 0.09 -0.04 1.64 1.72 2foyB1 LEU 223 HB3 -0.01 0.09 -0.04 -0.04 1.64 1.64 2foyB1 LEU 223 HG -0.04 -0.03 -0.12 -0.04 1.64 1.40 2foyB1 LEU 223 HD13 0.06 -0.02 -0.11 -0.04 0.93 0.82 2foyB1 LEU 223 HD23 0.17 0.02 -0.12 -0.04 0.89 0.92 2foyB1 ALA 224 H -0.15 0.25 -0.35 -0.55 8.40 7.61 2foyB1 ALA 224 HA -0.09 0.08 0.36 -0.75 4.34 3.94 2foyB1 ALA 224 HB3 -0.07 0.03 0.07 -0.04 1.41 1.40 2foyB1 GLN 225 H -0.27 0.27 -0.43 -0.55 8.47 7.50 2foyB1 GLN 225 HA -0.15 0.04 0.40 -0.75 4.36 3.89 2foyB1 GLN 225 HB2 -0.39 0.19 0.16 -0.04 2.15 2.08 2foyB1 GLN 225 HB3 -0.23 -0.01 -0.03 -0.04 2.02 1.71 2foyB1 GLN 225 HG2 -0.13 -0.01 -0.01 -0.04 2.40 2.20 2foyB1 GLN 225 HG3 -0.17 0.11 0.03 -0.04 2.39 2.33 2foyB1 GLN 225 HE21 -0.10 -0.03 -0.14 -0.04 6.97 6.66 2foyB1 GLN 225 HE22 -0.11 0.04 -0.05 -0.04 7.69 7.53 2foyB1 PHE 226 H -0.52 0.29 -0.18 -0.55 8.34 7.38 2foyB1 PHE 226 HA -0.56 -0.00 0.35 -0.75 4.62 3.66 2foyB1 PHE 226 HB2 -1.15 0.18 0.12 -0.04 3.15 2.25 2foyB1 PHE 226 HB3 -3.03 0.02 -0.09 -0.04 3.06 -0.08 2foyB1 PHE 226 HD2 -0.36 0.03 -0.06 -0.04 7.28 6.85 2foyB1 PHE 226 HE2 -0.20 -0.03 -0.12 -0.04 7.38 6.99 2foyB1 PHE 226 HZ -1.10 -0.04 -0.10 -0.04 7.32 6.03 2foyB1 ARG 227 H -0.30 0.38 -0.20 -0.55 8.46 7.79 2foyB1 ARG 227 HA 0.15 0.32 0.37 -0.75 4.34 4.43 2foyB1 ARG 227 HB2 -0.06 -0.01 0.10 -0.04 1.90 1.89 2foyB1 ARG 227 HB3 0.04 -0.09 -0.06 -0.04 1.80 1.66 2foyB1 ARG 227 HG2 0.20 -0.13 0.06 -0.04 1.67 1.76 2foyB1 ARG 227 HG3 0.40 0.18 0.03 -0.04 1.67 2.23 2foyB1 ARG 227 HD2 0.31 0.42 0.15 -0.04 3.22 4.06 2foyB1 ARG 227 HD3 0.06 -0.09 -0.01 -0.04 3.22 3.14 2foyB1 SER 228 H -0.08 0.26 -0.62 -0.55 8.46 7.47 2foyB1 SER 228 HA 0.00 0.04 0.62 -0.75 4.49 4.40 2foyB1 SER 228 HB2 -0.03 -0.12 0.08 -0.04 3.95 3.84 2foyB1 SER 228 HB3 -0.05 0.03 0.04 -0.04 3.93 3.91 2foyB1 LEU 229 H 0.01 0.41 -0.28 -0.55 8.37 7.96 2foyB1 LEU 229 HA -0.01 0.02 0.50 -0.75 4.35 4.11 2foyB1 LEU 229 HB2 0.16 0.21 0.10 -0.04 1.64 2.07 2foyB1 LEU 229 HB3 0.11 0.00 -0.08 -0.04 1.64 1.63 2foyB1 LEU 229 HG -0.08 0.02 0.02 -0.04 1.64 1.56 2foyB1 LEU 229 HD13 0.01 -0.03 -0.07 -0.04 0.93 0.80 2foyB1 LEU 229 HD23 -0.08 -0.00 -0.02 -0.04 0.89 0.76 2foyB1 LEU 230 H 0.01 0.61 0.33 -0.55 8.37 8.78 2foyB1 LEU 230 HA 0.03 0.15 0.89 -0.75 4.35 4.67 2foyB1 LEU 230 HB2 -0.00 0.13 0.13 -0.04 1.64 1.86 2foyB1 LEU 230 HB3 0.00 -0.23 0.01 -0.04 1.64 1.38 2foyB1 LEU 230 HG 0.00 0.13 -0.06 -0.04 1.64 1.68 2foyB1 LEU 230 HD13 -0.00 -0.04 -0.08 -0.04 0.93 0.76 2foyB1 LEU 230 HD23 0.01 -0.03 -0.26 -0.04 0.89 0.57 2foyB1 SER 231 H 0.02 0.66 0.29 -0.55 8.46 8.89 2foyB1 SER 231 HA -0.01 0.12 0.72 -0.75 4.49 4.58 2foyB1 SER 231 HB2 -0.03 -0.05 0.18 -0.04 3.95 4.02 2foyB1 SER 231 HB3 0.01 0.03 0.11 -0.04 3.93 4.04 2foyB1 ASN 232 H -0.01 -0.01 -0.05 -0.55 8.53 7.93 2foyB1 ASN 232 HA -0.02 0.13 0.65 -0.75 4.76 4.76 2foyB1 ASN 232 HB2 -0.01 -0.01 0.04 -0.04 2.88 2.86 2foyB1 ASN 232 HB3 -0.01 0.02 0.07 -0.04 2.79 2.82 2foyB1 ASN 232 HD21 -0.01 -0.10 -0.31 -0.04 7.03 6.58 2foyB1 ASN 232 HD22 -0.01 0.27 -0.36 -0.04 7.74 7.60 2foyB1 VAL 233 H -0.02 0.09 0.15 -0.55 8.24 7.91 2foyB1 VAL 233 HA -0.02 0.19 0.66 -0.75 4.13 4.21 2foyB1 VAL 233 HB -0.01 0.04 0.09 -0.04 2.12 2.20 2foyB1 VAL 233 HG13 -0.02 0.03 0.02 -0.04 0.97 0.95 2foyB1 VAL 233 HG23 -0.01 -0.01 -0.02 -0.04 0.95 0.87 2foyB1 GLU 234 H -0.01 0.17 0.11 -0.55 8.60 8.33 2foyB1 GLU 234 HA -0.01 0.03 0.33 -0.75 4.29 3.89 2foyB1 GLU 234 HB2 -0.01 0.02 0.11 -0.04 2.09 2.17 2foyB1 GLU 234 HB3 -0.01 0.00 0.12 -0.04 1.99 2.06 2foyB1 GLU 234 HG2 -0.01 0.01 -0.25 -0.04 2.34 2.05 2foyB1 GLU 234 HG3 -0.01 -0.03 0.02 -0.04 2.34 2.28 2foyB1 GLY 235 H -0.01 0.15 0.11 -0.55 8.43 8.13 2foyB1 GLY 235 HA2 -0.01 -0.04 0.37 -0.51 4.01 3.82 2foyB1 GLY 235 HA3 -0.01 0.16 0.77 -0.51 4.01 4.42 2foyB1 ASP 236 H -0.01 0.43 -0.32 -0.55 8.40 7.95 2foyB1 ASP 236 HA -0.01 0.05 0.53 -0.75 4.63 4.45 2foyB1 ASP 236 HB2 -0.01 0.08 0.03 -0.04 2.71 2.77 2foyB1 ASP 236 HB3 -0.01 -0.03 0.10 -0.04 2.70 2.72 2foyB1 ASN 237 H -0.00 0.06 0.13 -0.55 8.53 8.17 2foyB1 ASN 237 HA -0.00 0.02 0.41 -0.75 4.76 4.43 2foyB1 ASN 237 HB2 -0.00 -0.02 0.13 -0.04 2.88 2.95 2foyB1 ASN 237 HB3 -0.00 -0.02 0.08 -0.04 2.79 2.81 2foyB1 ASN 237 HD21 0.00 0.01 -0.02 -0.04 7.03 6.98 2foyB1 ASN 237 HD22 0.00 -0.05 -0.11 -0.04 7.74 7.53 2foyB1 ALA 238 H -0.00 0.06 0.16 -0.55 8.40 8.07 2foyB1 ALA 238 HA 0.00 0.03 0.39 -0.75 4.34 4.01 2foyB1 ALA 238 HB3 0.00 0.01 0.06 -0.04 1.41 1.44 2foyB1 VAL 239 H 0.01 0.08 0.11 -0.55 8.24 7.89 2foyB1 VAL 239 HA 0.01 0.20 0.86 -0.75 4.13 4.45 2foyB1 VAL 239 HB 0.00 -0.13 0.19 -0.04 2.12 2.15 2foyB1 VAL 239 HG13 0.01 0.03 -0.02 -0.04 0.97 0.94 2foyB1 VAL 239 HG23 0.00 0.06 -0.19 -0.04 0.95 0.78 2foyB1 PRO 240 HA 0.05 0.29 0.48 -0.51 4.44 4.74 2foyB1 PRO 240 HB2 0.06 -0.10 0.02 -0.04 2.28 2.22 2foyB1 PRO 240 HB3 0.05 0.36 0.13 -0.04 2.02 2.53 2foyB1 PRO 240 HG2 0.03 -0.02 0.03 -0.04 2.03 2.03 2foyB1 PRO 240 HG3 0.02 0.04 -0.01 -0.04 2.03 2.05 2foyB1 PRO 240 HD2 0.03 0.06 0.16 -0.04 3.68 3.89 2foyB1 PRO 240 HD3 0.02 0.16 -0.11 -0.04 3.65 3.68 2foyB1 MET 241 H 0.13 0.72 0.15 -0.55 8.47 8.92 2foyB1 MET 241 HA 0.08 0.00 0.56 -0.75 4.52 4.41 2foyB1 MET 241 HB2 0.35 0.13 0.07 -0.04 2.15 2.65 2foyB1 MET 241 HB3 0.48 -0.05 -0.05 -0.04 2.03 2.37 2foyB1 MET 241 HG2 0.08 0.05 -0.12 -0.04 2.63 2.60 2foyB1 MET 241 HG3 0.11 -0.04 -0.37 -0.04 2.56 2.22 2foyB1 MET 241 HE3 0.06 -0.03 -0.38 -0.04 2.10 1.70 2foyB1 GLN 242 H 0.03 0.28 0.10 -0.55 8.47 8.34 2foyB1 GLN 242 HA 0.23 0.11 0.31 -0.75 4.36 4.26 2foyB1 GLN 242 HB2 -0.06 -0.03 0.13 -0.04 2.15 2.16 2foyB1 GLN 242 HB3 0.23 -0.09 -0.04 -0.04 2.02 2.08 2foyB1 GLN 242 HG2 0.08 0.10 -0.05 -0.04 2.40 2.49 2foyB1 GLN 242 HG3 0.08 -0.06 0.04 -0.04 2.39 2.40 2foyB1 GLN 242 HE21 0.09 -0.03 0.03 -0.04 6.97 7.02 2foyB1 GLN 242 HE22 0.10 0.08 -0.06 -0.04 7.69 7.77 2foyB1 HIS 243 H -0.32 0.20 -0.04 -0.55 8.41 7.71 2foyB1 HIS 243 HA -0.20 0.23 0.39 -0.75 4.63 4.29 2foyB1 HIS 243 HB2 -0.08 -0.00 0.17 -0.04 3.26 3.30 2foyB1 HIS 243 HB3 0.05 -0.04 -0.13 -0.04 3.20 3.04 2foyB1 HIS 243 HD2 0.05 -0.01 -0.16 -0.04 6.97 6.80 2foyB1 HIS 243 HE1 0.09 0.26 -0.11 -0.04 7.75 7.95 2foyB1 ASN 244 H -0.45 0.50 0.28 -0.55 8.53 8.31 2foyB1 ASN 244 HA -1.61 0.11 0.68 -0.75 4.76 3.18 2foyB1 ASN 244 HB2 -0.54 -0.04 0.24 -0.04 2.88 2.50 2foyB1 ASN 244 HB3 -0.59 0.17 -0.03 -0.04 2.79 2.30 2foyB1 ASN 244 HD21 -2.02 -0.09 0.05 -0.04 7.03 4.93 2foyB1 ASN 244 HD22 -0.73 0.49 0.24 -0.04 7.74 7.71 2foyB1 ASN 245 H -0.19 0.12 0.12 -0.55 8.53 8.03 2foyB1 ASN 245 HA -0.01 0.14 0.95 -0.75 4.76 5.09 2foyB1 ASN 245 HB2 -0.01 0.10 -0.25 -0.04 2.88 2.68 2foyB1 ASN 245 HB3 0.01 0.09 -0.15 -0.04 2.79 2.71 2foyB1 ASN 245 HD21 -0.00 -0.14 -0.13 -0.04 7.03 6.71 2foyB1 ASN 245 HD22 0.01 0.24 -0.26 -0.04 7.74 7.69 2foyB1 ARG 246 H 0.05 0.10 0.15 -0.55 8.46 8.20 2foyB1 ARG 246 HA 0.03 0.10 0.71 -0.75 4.34 4.42 2foyB1 ARG 246 HB2 0.29 0.06 0.16 -0.04 1.90 2.37 2foyB1 ARG 246 HB3 0.05 -0.05 0.17 -0.04 1.80 1.93 2foyB1 ARG 246 HG2 -0.10 0.18 -0.01 -0.04 1.67 1.70 2foyB1 ARG 246 HG3 -0.30 -0.14 0.10 -0.04 1.67 1.29 2foyB1 ARG 246 HD2 0.31 0.12 0.09 -0.04 3.22 3.70 2foyB1 ARG 246 HD3 0.05 0.17 0.12 -0.04 3.22 3.52 2foyB1 PRO 247 HA -0.07 0.01 0.40 -0.51 4.44 4.27 2foyB1 PRO 247 HB2 -0.10 0.09 -0.06 -0.04 2.28 2.17 2foyB1 PRO 247 HB3 -0.08 -0.05 0.07 -0.04 2.02 1.92 2foyB1 PRO 247 HG2 -0.14 -0.03 0.05 -0.04 2.03 1.87 2foyB1 PRO 247 HG3 -0.09 0.02 0.05 -0.04 2.03 1.96 2foyB1 PRO 247 HD2 -0.21 0.09 0.18 -0.04 3.68 3.70 2foyB1 PRO 247 HD3 -0.12 0.17 0.28 -0.04 3.65 3.95 2foyB1 THR 248 H -0.07 -0.02 0.05 -0.55 8.28 7.69 2foyB1 THR 248 HA -0.14 0.17 0.16 -0.75 4.39 3.84 2foyB1 THR 248 HB -0.11 -0.08 -0.15 -0.04 4.32 3.94 2foyB1 THR 248 HG23 -0.11 -0.02 -0.24 -0.04 1.22 0.81 2foyB1 GLN 249 H -0.10 0.66 0.22 -0.55 8.47 8.70 2foyB1 GLN 249 HA -0.05 0.13 0.77 -0.75 4.36 4.46 2foyB1 GLN 249 HB2 -0.03 0.12 -0.23 -0.04 2.15 1.96 2foyB1 GLN 249 HB3 -0.01 0.02 -0.04 -0.04 2.02 1.95 2foyB1 GLN 249 HG2 -0.05 0.10 -0.35 -0.04 2.40 2.05 2foyB1 GLN 249 HG3 0.00 -0.04 -0.26 -0.04 2.39 2.05 2foyB1 GLN 249 HE21 -0.09 -0.16 -0.21 -0.04 6.97 6.47 2foyB1 GLN 249 HE22 -0.08 0.55 -0.34 -0.04 7.69 7.78 2foyB1 PRO 250 HA -0.04 -0.08 0.47 -0.51 4.44 4.27 2foyB1 PRO 250 HB2 -0.02 -0.08 0.03 -0.04 2.28 2.17 2foyB1 PRO 250 HB3 -0.02 -0.01 0.11 -0.04 2.02 2.06 2foyB1 PRO 250 HG2 -0.00 0.13 0.07 -0.04 2.03 2.19 2foyB1 PRO 250 HG3 -0.01 0.04 0.07 -0.04 2.03 2.09 2foyB1 PRO 250 HD2 -0.02 0.19 0.16 -0.04 3.68 3.97 2foyB1 PRO 250 HD3 -0.03 0.10 0.16 -0.04 3.65 3.84 2foyB1 LEU 251 H -0.05 0.03 0.21 -0.55 8.37 8.02 2foyB1 LEU 251 HA -0.04 0.21 0.41 -0.75 4.35 4.17 2foyB1 LEU 251 HB2 -0.08 -0.03 0.18 -0.04 1.64 1.67 2foyB1 LEU 251 HB3 -0.04 -0.12 0.06 -0.04 1.64 1.50 2foyB1 LEU 251 HG -0.04 0.00 -0.02 -0.04 1.64 1.54 2foyB1 LEU 251 HD13 -0.17 0.02 -0.05 -0.04 0.93 0.68 2foyB1 LEU 251 HD23 -0.08 -0.03 -0.00 -0.04 0.89 0.74 2foyB1 LYS 252 H -0.01 -0.04 -0.15 -0.55 8.42 7.66 2foyB1 LYS 252 HA -0.00 -0.06 0.31 -0.75 4.32 3.82 2foyB1 LYS 252 HB2 0.02 0.32 -0.12 -0.04 1.87 2.05 2foyB1 LYS 252 HB3 0.02 -0.05 0.23 -0.04 1.79 1.95 2foyB1 LYS 252 HG2 0.00 -0.10 0.02 -0.04 1.46 1.34 2foyB1 LYS 252 HG3 0.00 0.04 -0.20 -0.04 1.46 1.27 2foyB1 LYS 252 HD2 0.02 0.12 0.06 -0.04 1.69 1.84 2foyB1 LYS 252 HD3 0.02 -0.10 0.01 -0.04 1.68 1.56 2foyB1 LYS 252 HE2 0.01 0.03 -0.01 -0.04 2.99 2.97 2foyB1 LYS 252 HE3 0.01 0.12 -0.07 -0.04 2.99 3.02 2foyB1 GLY 253 H -0.01 -0.01 -0.15 -0.55 8.43 7.72 2foyB1 GLY 253 HA2 0.00 -0.06 0.32 -0.51 4.01 3.76 2foyB1 GLY 253 HA3 0.01 0.11 0.54 -0.51 4.01 4.17 2foyB1 ARG 254 H 0.02 0.50 -0.40 -0.55 8.46 8.03 2foyB1 ARG 254 HA 0.05 0.02 0.46 -0.75 4.34 4.10 2foyB1 ARG 254 HB2 0.04 0.03 0.12 -0.04 1.90 2.05 2foyB1 ARG 254 HB3 0.11 -0.05 0.04 -0.04 1.80 1.85 2foyB1 ARG 254 HG2 0.10 -0.12 0.12 -0.04 1.67 1.73 2foyB1 ARG 254 HG3 0.07 0.13 0.12 -0.04 1.67 1.95 2foyB1 ARG 254 HD2 0.25 0.01 0.11 -0.04 3.22 3.55 2foyB1 ARG 254 HD3 0.14 -0.04 0.16 -0.04 3.22 3.43 2foyB1 THR 255 H 0.06 0.17 0.23 -0.55 8.28 8.19 2foyB1 THR 255 HA 0.00 0.18 0.97 -0.75 4.39 4.80 2foyB1 THR 255 HB 0.04 -0.04 0.13 -0.04 4.32 4.41 2foyB1 THR 255 HG23 0.01 -0.00 -0.17 -0.04 1.22 1.02 2foyB1 VAL 256 H -0.01 0.20 0.13 -0.55 8.24 8.01 2foyB1 VAL 256 HA 0.13 0.27 0.86 -0.75 4.13 4.64 2foyB1 VAL 256 HB -0.09 -0.06 0.11 -0.04 2.12 2.04 2foyB1 VAL 256 HG13 -0.01 -0.01 -0.19 -0.04 0.97 0.72 2foyB1 VAL 256 HG23 -0.19 0.01 -0.11 -0.04 0.95 0.61 2foyB1 ARG 257 H 0.13 0.67 0.38 -0.55 8.46 9.10 2foyB1 ARG 257 HA 0.02 0.18 0.94 -0.75 4.34 4.73 2foyB1 ARG 257 HB2 0.04 -0.01 0.14 -0.04 1.90 2.04 2foyB1 ARG 257 HB3 -0.05 -0.00 0.10 -0.04 1.80 1.81 2foyB1 ARG 257 HG2 0.00 0.00 -0.06 -0.04 1.67 1.58 2foyB1 ARG 257 HG3 0.04 0.08 -0.05 -0.04 1.67 1.70 2foyB1 ARG 257 HD2 -0.03 -0.06 -0.02 -0.04 3.22 3.07 2foyB1 ARG 257 HD3 0.00 -0.01 -0.03 -0.04 3.22 3.14 2foyB1 ALA 258 H -0.07 0.62 0.30 -0.55 8.40 8.70 2foyB1 ALA 258 HA -0.14 0.28 1.13 -0.75 4.34 4.86 2foyB1 ALA 258 HB3 -0.39 -0.04 -0.06 -0.04 1.41 0.88 2foyB1 SER 259 H -0.45 0.57 0.35 -0.55 8.46 8.38 2foyB1 SER 259 HA -0.34 0.22 0.70 -0.75 4.49 4.32 2foyB1 SER 259 HB2 -0.37 0.13 0.08 -0.04 3.95 3.75 2foyB1 SER 259 HB3 -1.60 0.05 0.07 -0.04 3.93 2.40 2foyB1 PHE 260 H -0.47 0.01 -0.16 -0.55 8.34 7.16 2foyB1 PHE 260 HA -0.03 0.30 0.70 -0.75 4.62 4.82 2foyB1 PHE 260 HB2 -0.10 0.04 0.03 -0.04 3.15 3.08 2foyB1 PHE 260 HB3 -0.15 -0.01 -0.09 -0.04 3.06 2.77 2foyB1 PHE 260 HD2 -0.25 -0.05 0.03 -0.04 7.28 6.97 2foyB1 PHE 260 HE2 -0.67 0.05 -0.14 -0.04 7.38 6.58 2foyB1 PHE 260 HZ -0.67 0.03 -0.08 -0.04 7.32 6.56