============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. HIS 4 0.900 19.681 -18.526 21.041 -99.200 -91.000 PHE 5 1.000 18.895 -19.071 12.680 -99.200 -91.000 HIS 9 0.900 19.737 -2.967 17.093 -99.200 -91.000 HIS 13 0.900 16.616 0.572 11.645 -99.200 -91.000 TRP 16 1.040 12.408 -1.552 16.525 -99.200 -91.000 TRP6 16 1.020 12.154 -0.870 14.273 -99.200 -91.000 TRP 18 1.040 16.599 -8.453 13.869 -99.200 -91.000 TRP6 18 1.020 17.818 -8.994 11.913 -99.200 -91.000 TYR 19 0.840 7.414 -6.120 11.915 -99.200 -91.000 HIS 30 0.900 16.132 -23.590 13.076 -99.200 -91.000 TYR 54 0.840 32.569 -4.395 26.814 -99.200 -91.000 TYR 56 0.840 25.283 -0.081 19.271 -99.200 -91.000 HIS 76 0.900 20.107 -4.413 8.544 -99.200 -91.000 TYR 88 0.840 31.762 -14.245 25.428 -99.200 -91.000 TYR 93 0.840 26.203 -24.706 15.858 -99.200 -91.000 PHE 97 1.000 30.094 -10.430 9.490 -99.200 -91.000 PHE 101 1.000 29.082 0.015 7.317 -99.200 -91.000 HIS 106 0.900 43.662 -3.916 6.430 -99.200 -91.000 PHE 110 1.000 40.658 -1.791 5.480 -99.200 -91.000 TYR 115 0.840 28.981 3.807 4.133 -99.200 -91.000 TRP 124 1.040 26.403 10.284 5.521 -99.200 -91.000 TRP6 124 1.020 26.045 8.335 6.805 -99.200 -91.000 PHE 129 1.000 26.294 11.805 10.452 -99.200 -91.000 TYR 132 0.840 27.916 10.796 22.199 -99.200 -91.000 PHE 142 1.000 16.912 10.325 15.298 -99.200 -91.000 PHE 143 1.000 20.759 5.631 9.951 -99.200 -91.000 PHE 147 1.000 20.685 7.507 5.394 -99.200 -91.000 HIS 150 0.900 13.397 9.719 -0.534 -99.200 -91.000 TYR 153 0.840 12.965 1.260 6.609 -99.200 -91.000 PHE 174 1.000 29.344 3.448 19.337 -99.200 -91.000 TYR 182 0.840 39.250 -2.178 20.077 -99.200 -91.000 PHE 183 1.000 36.778 -6.473 15.516 -99.200 -91.000 PHE 188 1.000 36.550 -10.919 12.876 -99.200 -91.000 TYR 195 0.840 28.422 -8.706 3.215 -99.200 -91.000 PHE 208 1.000 32.063 -0.250 1.909 -99.200 -91.000 TRP 211 1.040 36.783 -2.470 -1.446 -99.200 -91.000 TRP6 211 1.020 37.088 -2.198 0.878 -99.200 -91.000 HIS 229 0.900 20.925 -1.024 5.163 -99.200 -91.000 HIS 246 0.900 21.218 -29.134 5.524 -99.200 -91.000 TYR 248 0.840 28.497 -22.298 6.927 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1y7iA1 GLU 3 HA 0.01 -0.04 0.20 -0.75 4.29 3.71 1y7iA1 GLU 3 HB2 -0.02 0.00 -0.02 -0.04 2.09 2.01 1y7iA1 GLU 3 HB3 -0.01 -0.07 0.06 -0.04 1.99 1.92 1y7iA1 GLU 3 HG2 -0.03 -0.05 0.07 -0.04 2.34 2.28 1y7iA1 GLU 3 HG3 -0.05 0.08 -0.06 -0.04 2.34 2.26 1y7iA1 GLY 4 H -0.03 0.08 0.12 -0.55 8.43 8.05 1y7iA1 GLY 4 HA2 -0.07 -0.01 0.41 -0.51 4.01 3.83 1y7iA1 GLY 4 HA3 -0.06 0.22 0.45 -0.51 4.01 4.11 1y7iA1 LYS 5 H 0.84 0.06 0.18 -0.55 8.42 8.96 1y7iA1 LYS 5 HA 0.05 0.25 0.81 -0.75 4.32 4.68 1y7iA1 LYS 5 HB2 -0.19 -0.05 0.09 -0.04 1.87 1.67 1y7iA1 LYS 5 HB3 -0.49 -0.05 -0.08 -0.04 1.79 1.13 1y7iA1 LYS 5 HG2 -0.37 0.03 -0.00 -0.04 1.46 1.08 1y7iA1 LYS 5 HG3 -0.19 -0.01 0.01 -0.04 1.46 1.24 1y7iA1 LYS 5 HD2 -0.00 0.08 -0.28 -0.04 1.69 1.45 1y7iA1 LYS 5 HD3 -0.01 -0.07 -0.04 -0.04 1.68 1.52 1y7iA1 LYS 5 HE2 -0.30 -0.08 -0.02 -0.04 2.99 2.55 1y7iA1 LYS 5 HE3 -0.13 -0.05 -0.01 -0.04 2.99 2.75 1y7iA1 HIS 6 H 0.03 0.25 0.15 -0.55 8.41 8.30 1y7iA1 HIS 6 HA 0.01 0.15 0.89 -0.75 4.63 4.93 1y7iA1 HIS 6 HB2 -0.01 0.02 0.03 -0.04 3.26 3.27 1y7iA1 HIS 6 HB3 -0.04 0.13 0.29 -0.04 3.20 3.53 1y7iA1 HIS 6 HD2 0.01 0.10 -0.36 -0.04 6.97 6.68 1y7iA1 HIS 6 HE1 -0.04 0.01 -0.11 -0.04 7.75 7.57 1y7iA1 PHE 7 H 0.34 0.77 0.25 -0.55 8.34 9.15 1y7iA1 PHE 7 HA -0.17 0.21 0.83 -0.75 4.62 4.74 1y7iA1 PHE 7 HB2 -0.09 0.03 0.20 -0.04 3.15 3.24 1y7iA1 PHE 7 HB3 -0.22 -0.06 -0.08 -0.04 3.06 2.65 1y7iA1 PHE 7 HD2 -0.15 0.09 -0.10 -0.04 7.28 7.09 1y7iA1 PHE 7 HE2 -0.55 0.01 -0.09 -0.04 7.38 6.71 1y7iA1 PHE 7 HZ -0.29 0.11 -0.16 -0.04 7.32 6.93 1y7iA1 VAL 8 H -0.19 0.85 0.35 -0.55 8.24 8.69 1y7iA1 VAL 8 HA -0.20 0.17 1.02 -0.75 4.13 4.37 1y7iA1 VAL 8 HB -0.22 -0.04 0.17 -0.04 2.12 1.99 1y7iA1 VAL 8 HG13 -0.16 0.00 -0.07 -0.04 0.97 0.69 1y7iA1 VAL 8 HG23 -0.47 0.02 -0.12 -0.04 0.95 0.35 1y7iA1 LEU 9 H -0.32 0.41 0.18 -0.55 8.37 8.09 1y7iA1 LEU 9 HA -0.69 0.15 0.77 -0.75 4.35 3.83 1y7iA1 LEU 9 HB2 -1.10 -0.08 0.13 -0.04 1.64 0.55 1y7iA1 LEU 9 HB3 -3.18 -0.03 -0.02 -0.04 1.64 -1.63 1y7iA1 LEU 9 HG -0.45 0.07 -0.15 -0.04 1.64 1.06 1y7iA1 LEU 9 HD13 -0.57 -0.02 -0.10 -0.04 0.93 0.20 1y7iA1 LEU 9 HD23 -0.68 0.01 -0.23 -0.04 0.89 -0.05 1y7iA1 VAL 10 H -0.13 0.88 0.42 -0.55 8.24 8.86 1y7iA1 VAL 10 HA 0.03 0.12 0.94 -0.75 4.13 4.46 1y7iA1 VAL 10 HB -0.02 -0.07 0.23 -0.04 2.12 2.21 1y7iA1 VAL 10 HG13 -0.14 0.04 -0.04 -0.04 0.97 0.78 1y7iA1 VAL 10 HG23 -0.12 0.04 -0.18 -0.04 0.95 0.65 1y7iA1 HIS 11 H 0.21 0.17 0.04 -0.55 8.41 8.29 1y7iA1 HIS 11 HA 0.16 0.01 0.38 -0.75 4.63 4.43 1y7iA1 HIS 11 HB2 -0.08 -0.12 -0.01 -0.04 3.26 3.01 1y7iA1 HIS 11 HB3 0.07 0.07 -0.13 -0.04 3.20 3.16 1y7iA1 HIS 11 HD2 0.12 0.31 -0.01 -0.04 6.97 7.34 1y7iA1 HIS 11 HE1 0.27 0.04 -0.05 -0.04 7.75 7.96 1y7iA1 GLY 12 H 0.18 0.03 0.08 -0.55 8.43 8.18 1y7iA1 GLY 12 HA2 0.18 0.10 0.70 -0.51 4.01 4.48 1y7iA1 GLY 12 HA3 0.08 -0.03 0.37 -0.51 4.01 3.92 1y7iA1 ALA 13 H 0.32 0.01 0.20 -0.55 8.40 8.39 1y7iA1 ALA 13 HA 0.30 0.15 0.55 -0.75 4.34 4.58 1y7iA1 ALA 13 HB3 0.17 0.02 0.11 -0.04 1.41 1.66 1y7iA1 CYS 14 H 0.16 0.21 0.22 -0.55 8.50 8.54 1y7iA1 CYS 14 HA 0.10 0.39 0.50 -0.75 4.58 4.82 1y7iA1 CYS 14 HB2 0.20 0.16 0.22 -0.04 2.97 3.51 1y7iA1 CYS 14 HB3 0.11 -0.04 0.25 -0.04 2.97 3.25 1y7iA1 HIS 15 H 0.39 0.21 -0.59 -0.55 8.41 7.88 1y7iA1 HIS 15 HA 0.26 0.20 0.84 -0.75 4.63 5.17 1y7iA1 HIS 15 HB2 0.07 0.02 -0.10 -0.04 3.26 3.21 1y7iA1 HIS 15 HB3 -0.48 -0.14 0.16 -0.04 3.20 2.70 1y7iA1 HIS 15 HD2 -0.40 -0.05 0.01 -0.04 6.97 6.49 1y7iA1 HIS 15 HE1 0.53 -0.03 -0.06 -0.04 7.75 8.15 1y7iA1 GLY 16 H -0.99 0.14 0.19 -0.55 8.43 7.23 1y7iA1 GLY 16 HA2 -1.10 0.23 0.65 -0.51 4.01 3.28 1y7iA1 GLY 16 HA3 -0.17 -0.01 0.36 -0.51 4.01 3.68 1y7iA1 GLY 17 H 0.07 0.18 0.04 -0.55 8.43 8.17 1y7iA1 GLY 17 HA2 0.38 0.11 0.28 -0.51 4.01 4.27 1y7iA1 GLY 17 HA3 0.21 0.32 0.13 -0.51 4.01 4.17 1y7iA1 TRP 18 H 0.07 0.03 -0.36 -0.55 7.97 7.17 1y7iA1 TRP 18 HA 0.14 0.11 0.37 -0.75 4.62 4.48 1y7iA1 TRP 18 HB2 -0.01 0.04 0.02 -0.04 3.23 3.23 1y7iA1 TRP 18 HB3 0.02 0.03 0.05 -0.04 3.23 3.30 1y7iA1 TRP 18 HD1 -0.01 -0.06 0.02 -0.04 7.22 7.13 1y7iA1 TRP 18 HE1 -0.06 0.15 -0.12 -0.04 10.20 10.13 1y7iA1 TRP 18 HE3 0.06 -0.04 -0.42 -0.04 7.59 7.16 1y7iA1 TRP 18 HZ2 -0.22 0.17 -0.04 -0.04 7.44 7.31 1y7iA1 TRP 18 HZ3 0.17 -0.01 -0.11 -0.04 7.13 7.15 1y7iA1 TRP 18 HH2 0.02 -0.00 -0.02 -0.04 7.19 7.15 1y7iA1 SER 19 H -1.11 0.37 -0.32 -0.55 8.46 6.85 1y7iA1 SER 19 HA -0.30 0.05 0.31 -0.75 4.49 3.80 1y7iA1 SER 19 HB2 -0.68 0.01 0.10 -0.04 3.95 3.34 1y7iA1 SER 19 HB3 -1.29 -0.12 0.15 -0.04 3.93 2.62 1y7iA1 TRP 20 H 0.10 0.44 -0.55 -0.55 7.97 7.41 1y7iA1 TRP 20 HA -0.09 0.17 0.79 -0.75 4.62 4.72 1y7iA1 TRP 20 HB2 -0.00 0.15 0.04 -0.04 3.23 3.38 1y7iA1 TRP 20 HB3 -0.06 -0.11 0.12 -0.04 3.23 3.15 1y7iA1 TRP 20 HD1 -0.03 0.11 0.03 -0.04 7.22 7.29 1y7iA1 TRP 20 HE1 0.01 -0.03 -0.41 -0.04 10.20 9.73 1y7iA1 TRP 20 HE3 -0.15 -0.07 -0.05 -0.04 7.59 7.27 1y7iA1 TRP 20 HZ2 -0.04 0.22 -0.43 -0.04 7.44 7.14 1y7iA1 TRP 20 HZ3 -0.19 -0.00 -0.11 -0.04 7.13 6.78 1y7iA1 TRP 20 HH2 -0.13 0.01 -0.19 -0.04 7.19 6.84 1y7iA1 TYR 21 H 0.45 0.59 -0.19 -0.55 8.29 8.58 1y7iA1 TYR 21 HA 0.14 0.03 0.28 -0.75 4.56 4.26 1y7iA1 TYR 21 HB2 0.13 -0.03 0.12 -0.04 3.06 3.24 1y7iA1 TYR 21 HB3 0.20 0.16 0.20 -0.04 2.98 3.50 1y7iA1 TYR 21 HD2 0.15 0.12 -0.03 -0.04 7.15 7.35 1y7iA1 TYR 21 HE2 0.15 -0.02 -0.04 -0.04 6.85 6.90 1y7iA1 LYS 22 H -0.34 0.11 -0.42 -0.55 8.42 7.22 1y7iA1 LYS 22 HA -0.22 0.17 0.74 -0.75 4.32 4.25 1y7iA1 LYS 22 HB2 -0.29 0.05 0.04 -0.04 1.87 1.62 1y7iA1 LYS 22 HB3 -0.20 -0.03 0.02 -0.04 1.79 1.55 1y7iA1 LYS 22 HG2 -0.51 0.01 -0.02 -0.04 1.46 0.90 1y7iA1 LYS 22 HG3 -1.34 -0.03 -0.04 -0.04 1.46 0.01 1y7iA1 LYS 22 HD2 -0.21 0.06 0.11 -0.04 1.69 1.60 1y7iA1 LYS 22 HD3 -0.15 -0.01 0.05 -0.04 1.68 1.52 1y7iA1 LYS 22 HE2 -0.02 -0.04 0.02 -0.04 2.99 2.91 1y7iA1 LYS 22 HE3 -0.07 -0.03 0.03 -0.04 2.99 2.87 1y7iA1 LEU 23 H 0.00 0.18 -0.07 -0.55 8.37 7.93 1y7iA1 LEU 23 HA -0.04 0.08 0.58 -0.75 4.35 4.22 1y7iA1 LEU 23 HB2 0.05 -0.01 0.01 -0.04 1.64 1.65 1y7iA1 LEU 23 HB3 0.19 0.06 0.11 -0.04 1.64 1.95 1y7iA1 LEU 23 HG -0.12 -0.00 -0.30 -0.04 1.64 1.18 1y7iA1 LEU 23 HD13 -0.09 -0.01 -0.05 -0.04 0.93 0.74 1y7iA1 LEU 23 HD23 -0.01 0.01 -0.12 -0.04 0.89 0.73 1y7iA1 LYS 24 H 0.08 0.62 0.03 -0.55 8.42 8.60 1y7iA1 LYS 24 HA -0.03 0.01 0.28 -0.75 4.32 3.83 1y7iA1 LYS 24 HB2 0.10 0.02 -0.01 -0.04 1.87 1.94 1y7iA1 LYS 24 HB3 0.09 0.07 -0.02 -0.04 1.79 1.90 1y7iA1 LYS 24 HG2 0.05 0.01 -0.22 -0.04 1.46 1.26 1y7iA1 LYS 24 HG3 0.03 -0.03 -0.06 -0.04 1.46 1.36 1y7iA1 LYS 24 HD2 0.10 -0.03 -0.09 -0.04 1.69 1.63 1y7iA1 LYS 24 HD3 0.11 0.00 -0.07 -0.04 1.68 1.68 1y7iA1 LYS 24 HE2 0.05 0.05 -0.15 -0.04 2.99 2.90 1y7iA1 LYS 24 HE3 0.07 -0.05 -0.03 -0.04 2.99 2.95 1y7iA1 PRO 25 HA 0.03 0.06 0.41 -0.51 4.44 4.43 1y7iA1 PRO 25 HB2 0.01 0.04 -0.02 -0.04 2.28 2.27 1y7iA1 PRO 25 HB3 0.03 0.00 0.04 -0.04 2.02 2.05 1y7iA1 PRO 25 HG2 0.05 0.12 0.08 -0.04 2.03 2.24 1y7iA1 PRO 25 HG3 0.07 -0.01 0.03 -0.04 2.03 2.08 1y7iA1 PRO 25 HD2 0.01 0.14 -0.67 -0.04 3.68 3.12 1y7iA1 PRO 25 HD3 0.07 0.07 -0.11 -0.04 3.65 3.64 1y7iA1 LEU 26 H -0.02 0.29 -0.30 -0.55 8.37 7.80 1y7iA1 LEU 26 HA -0.01 0.01 0.38 -0.75 4.35 3.98 1y7iA1 LEU 26 HB2 -0.04 0.18 0.15 -0.04 1.64 1.89 1y7iA1 LEU 26 HB3 -0.04 -0.02 -0.07 -0.04 1.64 1.47 1y7iA1 LEU 26 HG -0.02 -0.04 0.00 -0.04 1.64 1.54 1y7iA1 LEU 26 HD13 -0.01 0.01 -0.03 -0.04 0.93 0.85 1y7iA1 LEU 26 HD23 -0.04 0.05 -0.11 -0.04 0.89 0.75 1y7iA1 LEU 27 H -0.06 0.50 -0.14 -0.55 8.37 8.12 1y7iA1 LEU 27 HA -0.05 0.05 0.39 -0.75 4.35 3.98 1y7iA1 LEU 27 HB2 -0.11 0.08 0.03 -0.04 1.64 1.59 1y7iA1 LEU 27 HB3 -0.17 0.02 -0.12 -0.04 1.64 1.34 1y7iA1 LEU 27 HG -0.24 0.01 -0.06 -0.04 1.64 1.31 1y7iA1 LEU 27 HD13 -0.52 -0.02 -0.15 -0.04 0.93 0.20 1y7iA1 LEU 27 HD23 -0.70 0.00 -0.07 -0.04 0.89 0.08 1y7iA1 GLU 28 H 0.01 0.50 -0.19 -0.55 8.60 8.37 1y7iA1 GLU 28 HA 0.06 0.26 0.47 -0.75 4.29 4.33 1y7iA1 GLU 28 HB2 0.02 0.05 0.14 -0.04 2.09 2.26 1y7iA1 GLU 28 HB3 0.02 -0.06 0.06 -0.04 1.99 1.98 1y7iA1 GLU 28 HG2 0.05 0.07 0.03 -0.04 2.34 2.45 1y7iA1 GLU 28 HG3 0.03 0.29 0.08 -0.04 2.34 2.70 1y7iA1 ALA 29 H 0.01 0.54 -0.17 -0.55 8.40 8.23 1y7iA1 ALA 29 HA 0.00 -0.01 0.42 -0.75 4.34 4.00 1y7iA1 ALA 29 HB3 0.00 0.02 0.09 -0.04 1.41 1.48 1y7iA1 ALA 30 H 0.03 0.35 -0.60 -0.55 8.40 7.64 1y7iA1 ALA 30 HA -0.01 0.04 0.56 -0.75 4.34 4.17 1y7iA1 ALA 30 HB3 0.13 0.02 0.11 -0.04 1.41 1.63 1y7iA1 GLY 31 H -0.03 0.55 -0.57 -0.55 8.43 7.83 1y7iA1 GLY 31 HA2 -0.06 0.00 0.30 -0.51 4.01 3.74 1y7iA1 GLY 31 HA3 -0.15 0.01 0.50 -0.51 4.01 3.87 1y7iA1 HIS 32 H 0.06 0.25 -0.01 -0.55 8.41 8.16 1y7iA1 HIS 32 HA 0.07 0.13 0.92 -0.75 4.63 5.00 1y7iA1 HIS 32 HB2 0.13 0.05 -0.12 -0.04 3.26 3.28 1y7iA1 HIS 32 HB3 0.34 0.13 0.03 -0.04 3.20 3.67 1y7iA1 HIS 32 HD2 0.08 -0.01 -0.06 -0.04 6.97 6.94 1y7iA1 HIS 32 HE1 0.03 0.10 0.00 -0.04 7.75 7.84 1y7iA1 LYS 33 H 0.21 0.65 0.24 -0.55 8.42 8.97 1y7iA1 LYS 33 HA 0.05 0.08 0.71 -0.75 4.32 4.40 1y7iA1 LYS 33 HB2 -0.03 0.04 -0.02 -0.04 1.87 1.82 1y7iA1 LYS 33 HB3 -0.01 -0.03 0.05 -0.04 1.79 1.76 1y7iA1 LYS 33 HG2 -0.25 -0.02 -0.15 -0.04 1.46 1.00 1y7iA1 LYS 33 HG3 -0.12 -0.02 0.02 -0.04 1.46 1.30 1y7iA1 LYS 33 HD2 -0.25 0.02 -0.06 -0.04 1.69 1.37 1y7iA1 LYS 33 HD3 -0.96 0.01 -0.09 -0.04 1.68 0.60 1y7iA1 LYS 33 HE2 -0.45 -0.01 -0.10 -0.04 2.99 2.39 1y7iA1 LYS 33 HE3 -0.19 -0.03 -0.04 -0.04 2.99 2.68 1y7iA1 VAL 34 H 0.06 0.22 0.16 -0.55 8.24 8.13 1y7iA1 VAL 34 HA 0.19 0.29 0.99 -0.75 4.13 4.84 1y7iA1 VAL 34 HB 0.04 -0.03 0.03 -0.04 2.12 2.12 1y7iA1 VAL 34 HG13 -0.05 -0.04 -0.19 -0.04 0.97 0.65 1y7iA1 VAL 34 HG23 0.05 0.02 -0.34 -0.04 0.95 0.64 1y7iA1 THR 35 H 0.07 0.76 0.27 -0.55 8.28 8.83 1y7iA1 THR 35 HA 0.06 0.14 0.93 -0.75 4.39 4.76 1y7iA1 THR 35 HB 0.10 0.05 0.16 -0.04 4.32 4.58 1y7iA1 THR 35 HG23 0.04 -0.02 -0.13 -0.04 1.22 1.08 1y7iA1 ALA 36 H 0.04 0.20 -0.00 -0.55 8.40 8.09 1y7iA1 ALA 36 HA -0.11 0.28 0.94 -0.75 4.34 4.69 1y7iA1 ALA 36 HB3 0.15 -0.01 0.14 -0.04 1.41 1.65 1y7iA1 LEU 37 H 0.02 0.35 -0.01 -0.55 8.37 8.18 1y7iA1 LEU 37 HA 0.09 0.07 0.57 -0.75 4.35 4.33 1y7iA1 LEU 37 HB2 0.04 0.03 0.03 -0.04 1.64 1.70 1y7iA1 LEU 37 HB3 0.02 0.01 -0.04 -0.04 1.64 1.59 1y7iA1 LEU 37 HG 0.01 -0.06 -0.45 -0.04 1.64 1.10 1y7iA1 LEU 37 HD13 -0.05 0.01 -0.28 -0.04 0.93 0.57 1y7iA1 LEU 37 HD23 -0.04 0.01 -0.01 -0.04 0.89 0.82 1y7iA1 ASP 38 H 0.10 0.19 0.18 -0.55 8.40 8.33 1y7iA1 ASP 38 HA 0.24 -0.06 0.77 -0.75 4.63 4.83 1y7iA1 ASP 38 HB2 0.10 -0.00 0.19 -0.04 2.71 2.96 1y7iA1 ASP 38 HB3 0.13 0.36 0.04 -0.04 2.70 3.18 1y7iA1 LEU 39 H 0.65 0.06 0.09 -0.55 8.37 8.62 1y7iA1 LEU 39 HA -0.06 0.10 0.58 -0.75 4.35 4.22 1y7iA1 LEU 39 HB2 -0.03 -0.02 0.04 -0.04 1.64 1.59 1y7iA1 LEU 39 HB3 -0.61 0.25 0.18 -0.04 1.64 1.42 1y7iA1 LEU 39 HG -0.41 -0.09 -0.04 -0.04 1.64 1.05 1y7iA1 LEU 39 HD13 -0.72 0.01 -0.07 -0.04 0.93 0.11 1y7iA1 LEU 39 HD23 -0.24 0.01 -0.04 -0.04 0.89 0.58 1y7iA1 ALA 40 H -0.05 0.55 0.27 -0.55 8.40 8.62 1y7iA1 ALA 40 HA 0.08 -0.07 0.40 -0.75 4.34 3.99 1y7iA1 ALA 40 HB3 0.12 -0.01 0.12 -0.04 1.41 1.60 1y7iA1 ALA 41 H 0.09 -0.04 0.09 -0.55 8.40 7.99 1y7iA1 ALA 41 HA 0.07 0.30 0.24 -0.75 4.34 4.20 1y7iA1 ALA 41 HB3 0.08 -0.02 -0.35 -0.04 1.41 1.07 1y7iA1 SER 42 H 0.14 0.22 -0.25 -0.55 8.46 8.02 1y7iA1 SER 42 HA 0.13 0.22 0.85 -0.75 4.49 4.94 1y7iA1 SER 42 HB2 0.25 -0.10 0.03 -0.04 3.95 4.10 1y7iA1 SER 42 HB3 -0.00 0.14 0.19 -0.04 3.93 4.21 1y7iA1 GLY 43 H 0.15 0.29 0.04 -0.55 8.43 8.36 1y7iA1 GLY 43 HA2 0.33 0.07 0.33 -0.51 4.01 4.22 1y7iA1 GLY 43 HA3 0.21 -0.19 0.50 -0.51 4.01 4.03 1y7iA1 THR 44 H 0.12 0.02 0.25 -0.55 8.28 8.12 1y7iA1 THR 44 HA 0.04 0.27 0.74 -0.75 4.39 4.69 1y7iA1 THR 44 HB 0.03 0.00 0.16 -0.04 4.32 4.47 1y7iA1 THR 44 HG23 0.03 -0.01 -0.04 -0.04 1.22 1.16 1y7iA1 ASP 45 H 0.08 0.60 -0.10 -0.55 8.40 8.43 1y7iA1 ASP 45 HA 0.05 -0.02 0.47 -0.75 4.63 4.37 1y7iA1 ASP 45 HB2 0.08 0.17 0.15 -0.04 2.71 3.07 1y7iA1 ASP 45 HB3 0.08 -0.10 0.15 -0.04 2.70 2.78 1y7iA1 LEU 46 H 0.03 0.09 0.20 -0.55 8.37 8.14 1y7iA1 LEU 46 HA 0.01 0.19 0.43 -0.75 4.35 4.23 1y7iA1 LEU 46 HB2 0.02 -0.04 0.08 -0.04 1.64 1.65 1y7iA1 LEU 46 HB3 0.01 -0.02 0.16 -0.04 1.64 1.75 1y7iA1 LEU 46 HG 0.02 0.01 0.14 -0.04 1.64 1.77 1y7iA1 LEU 46 HD13 0.01 -0.02 0.04 -0.04 0.93 0.92 1y7iA1 LEU 46 HD23 0.01 0.02 -0.03 -0.04 0.89 0.85 1y7iA1 ARG 47 H 0.04 -0.06 -0.49 -0.55 8.46 7.39 1y7iA1 ARG 47 HA 0.02 0.12 0.69 -0.75 4.34 4.41 1y7iA1 ARG 47 HB2 0.05 -0.25 0.09 -0.04 1.90 1.75 1y7iA1 ARG 47 HB3 0.05 0.12 -0.04 -0.04 1.80 1.89 1y7iA1 ARG 47 HG2 0.03 0.03 0.02 -0.04 1.67 1.72 1y7iA1 ARG 47 HG3 0.03 -0.04 -0.06 -0.04 1.67 1.55 1y7iA1 ARG 47 HD2 0.05 0.04 -0.01 -0.04 3.22 3.26 1y7iA1 ARG 47 HD3 0.03 0.03 -0.01 -0.04 3.22 3.24 1y7iA1 LYS 48 H 0.01 0.10 0.15 -0.55 8.42 8.13 1y7iA1 LYS 48 HA -0.03 0.28 0.83 -0.75 4.32 4.64 1y7iA1 LYS 48 HB2 -0.02 -0.04 0.06 -0.04 1.87 1.83 1y7iA1 LYS 48 HB3 -0.06 -0.07 0.07 -0.04 1.79 1.69 1y7iA1 LYS 48 HG2 -0.04 0.11 -0.06 -0.04 1.46 1.43 1y7iA1 LYS 48 HG3 -0.01 0.05 -0.05 -0.04 1.46 1.40 1y7iA1 LYS 48 HD2 -0.02 -0.02 -0.00 -0.04 1.69 1.61 1y7iA1 LYS 48 HD3 -0.04 -0.02 0.01 -0.04 1.68 1.58 1y7iA1 LYS 48 HE2 -0.02 -0.02 -0.00 -0.04 2.99 2.90 1y7iA1 LYS 48 HE3 -0.03 0.04 -0.01 -0.04 2.99 2.94 1y7iA1 ILE 49 H -0.11 0.25 0.16 -0.55 8.25 8.00 1y7iA1 ILE 49 HA -0.04 0.11 0.34 -0.75 4.18 3.84 1y7iA1 ILE 49 HB -0.17 0.24 0.09 -0.04 1.89 2.01 1y7iA1 ILE 49 HG12 -0.32 0.05 -0.17 -0.04 1.49 1.01 1y7iA1 ILE 49 HG13 -0.52 -0.02 -0.24 -0.04 1.21 0.39 1y7iA1 ILE 49 HG23 -0.34 -0.00 0.00 -0.04 0.93 0.55 1y7iA1 ILE 49 HD13 -0.10 0.01 -0.09 -0.04 0.88 0.66 1y7iA1 GLU 50 H -0.20 0.07 -0.18 -0.55 8.60 7.74 1y7iA1 GLU 50 HA -0.43 0.15 0.32 -0.75 4.29 3.58 1y7iA1 GLU 50 HB2 -0.05 -0.06 -0.01 -0.04 2.09 1.93 1y7iA1 GLU 50 HB3 0.06 0.07 0.09 -0.04 1.99 2.16 1y7iA1 GLU 50 HG2 -0.04 0.02 0.03 -0.04 2.34 2.32 1y7iA1 GLU 50 HG3 -0.26 0.06 0.02 -0.04 2.34 2.12 1y7iA1 GLU 51 H 0.00 0.35 -0.80 -0.55 8.60 7.61 1y7iA1 GLU 51 HA 0.08 0.12 0.63 -0.75 4.29 4.36 1y7iA1 GLU 51 HB2 0.05 0.21 0.04 -0.04 2.09 2.34 1y7iA1 GLU 51 HB3 0.06 -0.05 0.08 -0.04 1.99 2.04 1y7iA1 GLU 51 HG2 0.04 0.02 -0.03 -0.04 2.34 2.33 1y7iA1 GLU 51 HG3 0.02 -0.09 -0.09 -0.04 2.34 2.14 1y7iA1 LEU 52 H 0.13 0.66 -0.18 -0.55 8.37 8.44 1y7iA1 LEU 52 HA 0.16 -0.01 0.75 -0.75 4.35 4.49 1y7iA1 LEU 52 HB2 0.34 0.10 0.11 -0.04 1.64 2.15 1y7iA1 LEU 52 HB3 0.30 -0.06 -0.05 -0.04 1.64 1.79 1y7iA1 LEU 52 HG 0.12 0.06 -0.07 -0.04 1.64 1.71 1y7iA1 LEU 52 HD13 0.27 0.00 -0.16 -0.04 0.93 1.00 1y7iA1 LEU 52 HD23 0.14 -0.03 -0.37 -0.04 0.89 0.59 1y7iA1 ARG 53 H 0.15 0.07 0.16 -0.55 8.46 8.28 1y7iA1 ARG 53 HA 0.19 0.24 0.75 -0.75 4.34 4.77 1y7iA1 ARG 53 HB2 0.09 -0.07 0.02 -0.04 1.90 1.90 1y7iA1 ARG 53 HB3 0.07 0.01 0.04 -0.04 1.80 1.88 1y7iA1 ARG 53 HG2 0.11 0.09 -0.14 -0.04 1.67 1.69 1y7iA1 ARG 53 HG3 0.07 -0.03 -0.03 -0.04 1.67 1.64 1y7iA1 ARG 53 HD2 0.06 -0.04 -0.05 -0.04 3.22 3.14 1y7iA1 ARG 53 HD3 0.17 0.11 -0.37 -0.04 3.22 3.08 1y7iA1 THR 54 H 0.07 0.04 0.11 -0.55 8.28 7.95 1y7iA1 THR 54 HA 0.08 0.26 0.82 -0.75 4.39 4.80 1y7iA1 THR 54 HB -0.04 -0.07 0.14 -0.04 4.32 4.30 1y7iA1 THR 54 HG23 0.04 0.04 -0.21 -0.04 1.22 1.05 1y7iA1 LEU 55 H -0.16 0.20 0.12 -0.55 8.37 7.98 1y7iA1 LEU 55 HA -0.87 0.14 0.40 -0.75 4.35 3.28 1y7iA1 LEU 55 HB2 -0.07 0.06 0.08 -0.04 1.64 1.66 1y7iA1 LEU 55 HB3 -0.14 -0.03 0.07 -0.04 1.64 1.51 1y7iA1 LEU 55 HG 0.00 -0.00 -0.16 -0.04 1.64 1.43 1y7iA1 LEU 55 HD13 0.15 0.03 0.02 -0.04 0.93 1.08 1y7iA1 LEU 55 HD23 0.15 0.03 -0.05 -0.04 0.89 0.98 1y7iA1 TYR 56 H -0.02 0.05 -0.13 -0.55 8.29 7.63 1y7iA1 TYR 56 HA -0.08 0.17 0.32 -0.75 4.56 4.22 1y7iA1 TYR 56 HB2 -0.13 0.04 0.05 -0.04 3.06 2.99 1y7iA1 TYR 56 HB3 -0.08 -0.10 0.04 -0.04 2.98 2.80 1y7iA1 TYR 56 HD2 -0.03 -0.03 -0.13 -0.04 7.15 6.92 1y7iA1 TYR 56 HE2 0.02 0.04 -0.08 -0.04 6.85 6.79 1y7iA1 ASP 57 H 0.07 0.01 -0.23 -0.55 8.40 7.70 1y7iA1 ASP 57 HA -0.02 0.10 0.34 -0.75 4.63 4.30 1y7iA1 ASP 57 HB2 0.05 -0.01 0.11 -0.04 2.71 2.82 1y7iA1 ASP 57 HB3 0.07 0.10 0.03 -0.04 2.70 2.87 1y7iA1 TYR 58 H -0.07 0.21 -0.41 -0.55 8.29 7.47 1y7iA1 TYR 58 HA -0.01 0.02 0.47 -0.75 4.56 4.29 1y7iA1 TYR 58 HB2 -0.22 -0.03 0.05 -0.04 3.06 2.82 1y7iA1 TYR 58 HB3 -0.38 0.15 0.16 -0.04 2.98 2.86 1y7iA1 TYR 58 HD2 0.08 0.05 -0.00 -0.04 7.15 7.24 1y7iA1 TYR 58 HE2 0.21 0.06 -0.08 -0.04 6.85 7.00 1y7iA1 THR 59 H -0.14 0.49 -0.06 -0.55 8.28 8.02 1y7iA1 THR 59 HA -0.31 0.02 0.52 -0.75 4.39 3.87 1y7iA1 THR 59 HB -0.17 0.03 0.01 -0.04 4.32 4.14 1y7iA1 THR 59 HG23 -0.09 -0.00 0.07 -0.04 1.22 1.16 1y7iA1 LEU 60 H -0.25 0.23 -0.45 -0.55 8.37 7.35 1y7iA1 LEU 60 HA -0.39 0.02 0.30 -0.75 4.35 3.53 1y7iA1 LEU 60 HB2 -0.23 -0.03 0.14 -0.04 1.64 1.47 1y7iA1 LEU 60 HB3 -0.11 0.02 0.10 -0.04 1.64 1.62 1y7iA1 LEU 60 HG -0.07 0.01 -0.15 -0.04 1.64 1.39 1y7iA1 LEU 60 HD13 -0.13 -0.01 0.00 -0.04 0.93 0.76 1y7iA1 LEU 60 HD23 -0.00 -0.04 0.00 -0.04 0.89 0.81 1y7iA1 PRO 61 HA -0.05 0.01 0.36 -0.51 4.44 4.25 1y7iA1 PRO 61 HB2 -0.06 -0.01 0.00 -0.04 2.28 2.17 1y7iA1 PRO 61 HB3 -0.02 -0.00 0.07 -0.04 2.02 2.03 1y7iA1 PRO 61 HG2 -0.02 -0.07 -0.06 -0.04 2.03 1.84 1y7iA1 PRO 61 HG3 -0.02 -0.03 0.01 -0.04 2.03 1.95 1y7iA1 PRO 61 HD2 -0.14 0.18 -0.11 -0.04 3.68 3.56 1y7iA1 PRO 61 HD3 -0.08 0.11 0.05 -0.04 3.65 3.69 1y7iA1 LEU 62 H -0.13 0.26 -0.30 -0.55 8.37 7.65 1y7iA1 LEU 62 HA -0.09 -0.03 0.30 -0.75 4.35 3.77 1y7iA1 LEU 62 HB2 -0.12 -0.12 0.01 -0.04 1.64 1.37 1y7iA1 LEU 62 HB3 -0.11 0.19 0.12 -0.04 1.64 1.79 1y7iA1 LEU 62 HG -0.07 0.05 0.03 -0.04 1.64 1.61 1y7iA1 LEU 62 HD13 -0.11 -0.02 -0.01 -0.04 0.93 0.75 1y7iA1 LEU 62 HD23 -0.08 0.00 -0.13 -0.04 0.89 0.65 1y7iA1 GLU 64 HA -0.03 -0.11 0.29 -0.75 4.29 3.69 1y7iA1 GLU 64 HB2 -0.04 0.09 0.02 -0.04 2.09 2.11 1y7iA1 GLU 64 HB3 -0.02 -0.11 -0.07 -0.04 1.99 1.75 1y7iA1 GLU 64 HG2 -0.00 -0.07 0.01 -0.04 2.34 2.24 1y7iA1 GLU 64 HG3 -0.05 0.16 0.01 -0.04 2.34 2.42 1y7iA1 LEU 65 H -0.08 0.46 -1.23 -0.55 8.37 6.98 1y7iA1 LEU 65 HA -0.06 -0.06 0.29 -0.75 4.35 3.77 1y7iA1 LEU 65 HB2 -0.05 -0.03 0.06 -0.04 1.64 1.57 1y7iA1 LEU 65 HB3 -0.10 0.25 0.17 -0.04 1.64 1.92 1y7iA1 LEU 65 HG -0.08 0.03 0.06 -0.04 1.64 1.60 1y7iA1 LEU 65 HD13 0.02 -0.03 0.00 -0.04 0.93 0.88 1y7iA1 LEU 65 HD23 -0.07 -0.03 -0.02 -0.04 0.89 0.74 1y7iA1 GLU 67 HA -0.17 -0.05 0.27 -0.75 4.29 3.58 1y7iA1 GLU 67 HB2 0.08 -0.03 0.05 -0.04 2.09 2.15 1y7iA1 GLU 67 HB3 -0.03 0.09 -0.02 -0.04 1.99 1.99 1y7iA1 GLU 67 HG2 0.08 -0.07 -0.03 -0.04 2.34 2.28 1y7iA1 GLU 67 HG3 0.03 -0.00 -0.15 -0.04 2.34 2.19 1y7iA1 SER 68 H -0.11 0.42 -1.35 -0.55 8.46 6.87 1y7iA1 SER 68 HA -0.03 -0.00 0.56 -0.75 4.49 4.27 1y7iA1 SER 68 HB2 -0.02 -0.18 0.08 -0.04 3.95 3.79 1y7iA1 SER 68 HB3 -0.03 0.05 0.05 -0.04 3.93 3.96 1y7iA1 LEU 69 H -0.12 0.22 0.18 -0.55 8.37 8.11 1y7iA1 LEU 69 HA -0.03 -0.10 0.41 -0.75 4.35 3.87 1y7iA1 LEU 69 HB2 -0.11 0.02 0.02 -0.04 1.64 1.52 1y7iA1 LEU 69 HB3 -0.05 0.09 0.01 -0.04 1.64 1.65 1y7iA1 LEU 69 HG -0.10 0.27 0.04 -0.04 1.64 1.81 1y7iA1 LEU 69 HD13 -0.13 0.01 -0.09 -0.04 0.93 0.68 1y7iA1 LEU 69 HD23 0.02 -0.05 -0.06 -0.04 0.89 0.76 1y7iA1 SER 70 H -0.01 0.00 0.17 -0.55 8.46 8.07 1y7iA1 SER 70 HA -0.01 0.12 0.42 -0.75 4.49 4.27 1y7iA1 SER 70 HB2 -0.01 0.06 0.13 -0.04 3.95 4.09 1y7iA1 SER 70 HB3 -0.01 0.00 0.05 -0.04 3.93 3.93 1y7iA1 ALA 71 H -0.00 0.07 0.16 -0.55 8.40 8.08 1y7iA1 ALA 71 HA 0.00 0.18 0.42 -0.75 4.34 4.18 1y7iA1 ALA 71 HB3 0.00 -0.01 0.09 -0.04 1.41 1.45 1y7iA1 ASP 72 H -0.01 -0.01 -0.21 -0.55 8.40 7.62 1y7iA1 ASP 72 HA -0.02 0.28 0.76 -0.75 4.63 4.89 1y7iA1 ASP 72 HB2 -0.00 0.04 0.13 -0.04 2.71 2.84 1y7iA1 ASP 72 HB3 -0.00 -0.05 -0.03 -0.04 2.70 2.57 1y7iA1 GLU 73 H -0.02 0.46 -0.61 -0.55 8.60 7.88 1y7iA1 GLU 73 HA -0.01 0.11 0.82 -0.75 4.29 4.46 1y7iA1 GLU 73 HB2 -0.01 -0.24 0.06 -0.04 2.09 1.86 1y7iA1 GLU 73 HB3 -0.02 0.11 0.09 -0.04 1.99 2.13 1y7iA1 GLU 73 HG2 0.04 0.12 -0.04 -0.04 2.34 2.42 1y7iA1 GLU 73 HG3 0.01 0.04 0.05 -0.04 2.34 2.41 1y7iA1 LYS 74 H -0.03 0.15 0.15 -0.55 8.42 8.13 1y7iA1 LYS 74 HA -0.18 0.28 0.82 -0.75 4.32 4.49 1y7iA1 LYS 74 HB2 -0.34 -0.03 0.01 -0.04 1.87 1.47 1y7iA1 LYS 74 HB3 -0.89 -0.01 -0.06 -0.04 1.79 0.79 1y7iA1 LYS 74 HG2 -0.18 -0.09 -0.43 -0.04 1.46 0.72 1y7iA1 LYS 74 HG3 -0.37 -0.02 -0.10 -0.04 1.46 0.93 1y7iA1 LYS 74 HD2 -0.27 -0.08 -0.03 -0.04 1.69 1.27 1y7iA1 LYS 74 HD3 -0.19 0.03 -0.05 -0.04 1.68 1.42 1y7iA1 LYS 74 HE2 -0.92 -0.09 -0.26 -0.04 2.99 1.67 1y7iA1 LYS 74 HE3 -0.29 0.18 -0.14 -0.04 2.99 2.69 1y7iA1 VAL 75 H -0.19 0.44 0.24 -0.55 8.24 8.19 1y7iA1 VAL 75 HA -0.04 0.09 0.87 -0.75 4.13 4.30 1y7iA1 VAL 75 HB -0.34 0.02 0.11 -0.04 2.12 1.87 1y7iA1 VAL 75 HG13 -0.13 -0.02 -0.30 -0.04 0.97 0.48 1y7iA1 VAL 75 HG23 -0.17 0.05 -0.10 -0.04 0.95 0.69 1y7iA1 ILE 76 H -0.26 0.67 0.35 -0.55 8.25 8.46 1y7iA1 ILE 76 HA -0.12 0.13 1.06 -0.75 4.18 4.49 1y7iA1 ILE 76 HB -0.64 -0.09 0.09 -0.04 1.89 1.21 1y7iA1 ILE 76 HG12 -0.11 0.05 -0.06 -0.04 1.49 1.33 1y7iA1 ILE 76 HG13 -0.20 -0.09 -0.22 -0.04 1.21 0.67 1y7iA1 ILE 76 HG23 -0.12 0.03 -0.13 -0.04 0.93 0.67 1y7iA1 ILE 76 HD13 -0.65 0.02 -0.10 -0.04 0.88 0.11 1y7iA1 LEU 77 H -0.15 0.32 0.25 -0.55 8.37 8.24 1y7iA1 LEU 77 HA -0.18 0.20 0.87 -0.75 4.35 4.49 1y7iA1 LEU 77 HB2 -0.17 -0.02 0.16 -0.04 1.64 1.56 1y7iA1 LEU 77 HB3 -0.19 -0.02 0.00 -0.04 1.64 1.40 1y7iA1 LEU 77 HG -0.11 0.04 -0.02 -0.04 1.64 1.51 1y7iA1 LEU 77 HD13 -0.15 0.01 -0.02 -0.04 0.93 0.72 1y7iA1 LEU 77 HD23 -0.13 -0.02 -0.15 -0.04 0.89 0.55 1y7iA1 VAL 78 H -0.21 0.66 0.34 -0.55 8.24 8.49 1y7iA1 VAL 78 HA -0.18 0.22 0.96 -0.75 4.13 4.37 1y7iA1 VAL 78 HB -0.40 -0.07 0.11 -0.04 2.12 1.72 1y7iA1 VAL 78 HG13 -0.13 -0.03 -0.16 -0.04 0.97 0.61 1y7iA1 VAL 78 HG23 -0.06 0.01 -0.28 -0.04 0.95 0.58 1y7iA1 GLY 79 H -0.24 0.72 0.24 -0.55 8.43 8.61 1y7iA1 GLY 79 HA2 0.04 0.27 1.04 -0.51 4.01 4.84 1y7iA1 GLY 79 HA3 -0.12 0.08 0.02 -0.51 4.01 3.48 1y7iA1 HIS 80 H 0.31 0.71 0.22 -0.55 8.41 9.10 1y7iA1 HIS 80 HA -0.02 0.27 0.77 -0.75 4.63 4.89 1y7iA1 HIS 80 HB2 0.05 0.01 0.02 -0.04 3.26 3.30 1y7iA1 HIS 80 HB3 -0.04 -0.12 0.11 -0.04 3.20 3.11 1y7iA1 HIS 80 HD2 -0.27 0.19 0.08 -0.04 6.97 6.92 1y7iA1 HIS 80 HE1 -0.54 -0.07 -0.02 -0.04 7.75 7.08 1y7iA1 SER 81 H -0.23 0.64 0.01 -0.55 8.46 8.33 1y7iA1 SER 81 HA -0.22 0.22 0.59 -0.75 4.49 4.33 1y7iA1 SER 81 HB2 -0.03 -0.04 0.23 -0.04 3.95 4.07 1y7iA1 SER 81 HB3 -0.33 0.17 0.17 -0.04 3.93 3.89 1y7iA1 LEU 82 H 0.15 0.01 0.32 -0.55 8.37 8.31 1y7iA1 LEU 82 HA 0.48 0.06 0.48 -0.75 4.35 4.61 1y7iA1 LEU 82 HB2 0.37 -0.06 0.21 -0.04 1.64 2.12 1y7iA1 LEU 82 HB3 0.31 -0.05 0.15 -0.04 1.64 2.00 1y7iA1 LEU 82 HG 0.39 0.10 -0.03 -0.04 1.64 2.05 1y7iA1 LEU 82 HD13 0.31 0.00 0.10 -0.04 0.93 1.30 1y7iA1 LEU 82 HD23 0.26 0.02 0.04 -0.04 0.89 1.16 1y7iA1 GLY 83 H 0.13 0.52 -0.12 -0.55 8.43 8.41 1y7iA1 GLY 83 HA2 0.07 0.04 0.30 -0.51 4.01 3.92 1y7iA1 GLY 83 HA3 0.08 0.07 0.14 -0.51 4.01 3.79 1y7iA1 GLY 84 H 0.18 0.33 -0.96 -0.55 8.43 7.44 1y7iA1 GLY 84 HA2 0.03 -0.03 0.16 -0.51 4.01 3.66 1y7iA1 GLY 84 HA3 0.38 0.15 0.16 -0.51 4.01 4.19 1y7iA1 ASN 86 HA 0.07 -0.11 0.26 -0.75 4.76 4.22 1y7iA1 ASN 86 HB2 -0.04 0.12 0.01 -0.04 2.88 2.93 1y7iA1 ASN 86 HB3 -0.10 -0.04 0.01 -0.04 2.79 2.62 1y7iA1 ASN 86 HD21 -0.22 -0.03 -0.09 -0.04 7.03 6.65 1y7iA1 ASN 86 HD22 -0.19 -0.04 -0.04 -0.04 7.74 7.44 1y7iA1 LEU 87 H 0.03 0.55 -1.05 -0.55 8.37 7.35 1y7iA1 LEU 87 HA -0.03 -0.01 0.37 -0.75 4.35 3.92 1y7iA1 LEU 87 HB2 -0.13 0.15 0.05 -0.04 1.64 1.67 1y7iA1 LEU 87 HB3 -0.13 0.01 -0.13 -0.04 1.64 1.36 1y7iA1 LEU 87 HG -0.18 -0.03 -0.06 -0.04 1.64 1.32 1y7iA1 LEU 87 HD13 -0.14 0.00 -0.20 -0.04 0.93 0.55 1y7iA1 LEU 87 HD23 -0.60 -0.03 -0.24 -0.04 0.89 -0.03 1y7iA1 GLY 88 H 0.10 0.38 0.23 -0.55 8.43 8.59 1y7iA1 GLY 88 HA2 0.20 0.07 0.31 -0.51 4.01 4.08 1y7iA1 GLY 88 HA3 -0.45 -0.04 0.24 -0.51 4.01 3.25 1y7iA1 LEU 89 H 0.20 0.11 -0.33 -0.55 8.37 7.81 1y7iA1 LEU 89 HA 0.35 0.00 0.35 -0.75 4.35 4.29 1y7iA1 LEU 89 HB2 0.12 0.21 0.03 -0.04 1.64 1.96 1y7iA1 LEU 89 HB3 0.16 -0.02 -0.08 -0.04 1.64 1.65 1y7iA1 LEU 89 HG 0.24 -0.02 -0.05 -0.04 1.64 1.78 1y7iA1 LEU 89 HD13 0.05 -0.03 -0.15 -0.04 0.93 0.75 1y7iA1 LEU 89 HD23 0.09 -0.01 -0.06 -0.04 0.89 0.87 1y7iA1 ALA 90 H 0.11 0.33 -0.31 -0.55 8.40 7.98 1y7iA1 ALA 90 HA 0.23 0.02 0.30 -0.75 4.34 4.14 1y7iA1 ALA 90 HB3 0.05 0.03 0.07 -0.04 1.41 1.51 1y7iA1 GLU 92 HA 0.21 -0.26 0.27 -0.75 4.29 3.76 1y7iA1 GLU 92 HB2 0.43 -0.02 0.16 -0.04 2.09 2.62 1y7iA1 GLU 92 HB3 0.26 0.09 0.08 -0.04 1.99 2.38 1y7iA1 GLU 92 HG2 0.21 0.32 0.17 -0.04 2.34 3.01 1y7iA1 GLU 92 HG3 0.13 -0.01 -0.06 -0.04 2.34 2.35 1y7iA1 LYS 93 H 0.08 0.39 -1.03 -0.55 8.42 7.30 1y7iA1 LYS 93 HA -0.14 0.06 0.85 -0.75 4.32 4.34 1y7iA1 LYS 93 HB2 -0.05 0.00 0.01 -0.04 1.87 1.79 1y7iA1 LYS 93 HB3 -0.27 0.07 0.02 -0.04 1.79 1.57 1y7iA1 LYS 93 HG2 -1.23 0.02 -0.08 -0.04 1.46 0.13 1y7iA1 LYS 93 HG3 -0.31 -0.07 0.07 -0.04 1.46 1.11 1y7iA1 LYS 93 HD2 0.02 -0.04 -0.04 -0.04 1.69 1.59 1y7iA1 LYS 93 HD3 0.05 0.06 -0.07 -0.04 1.68 1.68 1y7iA1 LYS 93 HE2 -0.06 -0.05 -0.01 -0.04 2.99 2.82 1y7iA1 LYS 93 HE3 0.07 -0.06 -0.03 -0.04 2.99 2.93 1y7iA1 TYR 94 H 0.11 0.69 0.18 -0.55 8.29 8.72 1y7iA1 TYR 94 HA 0.01 0.10 0.87 -0.75 4.56 4.79 1y7iA1 TYR 94 HB2 -0.01 0.10 0.13 -0.04 3.06 3.23 1y7iA1 TYR 94 HB3 -0.02 -0.07 0.12 -0.04 2.98 2.97 1y7iA1 TYR 94 HD2 0.01 0.01 -0.03 -0.04 7.15 7.10 1y7iA1 TYR 94 HE2 0.02 -0.04 -0.06 -0.04 6.85 6.73 1y7iA1 PRO 95 HA 0.02 0.12 0.29 -0.51 4.44 4.35 1y7iA1 PRO 95 HB2 0.00 0.05 -0.09 -0.04 2.28 2.20 1y7iA1 PRO 95 HB3 0.03 0.10 -0.13 -0.04 2.02 1.98 1y7iA1 PRO 95 HG2 0.01 -0.07 -0.01 -0.04 2.03 1.92 1y7iA1 PRO 95 HG3 0.02 -0.01 -0.05 -0.04 2.03 1.95 1y7iA1 PRO 95 HD2 -0.01 0.21 -0.34 -0.04 3.68 3.50 1y7iA1 PRO 95 HD3 0.02 0.13 -0.48 -0.04 3.65 3.29 1y7iA1 GLN 96 H 0.02 0.10 -0.24 -0.55 8.47 7.80 1y7iA1 GLN 96 HA -0.03 0.10 0.38 -0.75 4.36 4.06 1y7iA1 GLN 96 HB2 -0.02 -0.01 0.05 -0.04 2.15 2.13 1y7iA1 GLN 96 HB3 -0.00 -0.05 0.06 -0.04 2.02 1.99 1y7iA1 GLN 96 HG2 0.02 0.12 -0.21 -0.04 2.40 2.28 1y7iA1 GLN 96 HG3 0.01 -0.01 -0.07 -0.04 2.39 2.29 1y7iA1 GLN 96 HE21 0.05 0.04 0.04 -0.04 6.97 7.05 1y7iA1 GLN 96 HE22 0.05 0.00 -0.01 -0.04 7.69 7.70 1y7iA1 LYS 97 H 0.02 0.25 -0.45 -0.55 8.42 7.68 1y7iA1 LYS 97 HA -0.12 0.13 0.63 -0.75 4.32 4.21 1y7iA1 LYS 97 HB2 -0.01 0.09 0.08 -0.04 1.87 1.99 1y7iA1 LYS 97 HB3 -0.08 0.04 0.23 -0.04 1.79 1.94 1y7iA1 LYS 97 HG2 -0.02 0.08 -0.09 -0.04 1.46 1.38 1y7iA1 LYS 97 HG3 0.05 -0.17 -0.08 -0.04 1.46 1.22 1y7iA1 LYS 97 HD2 -0.02 -0.01 -0.02 -0.04 1.69 1.59 1y7iA1 LYS 97 HD3 -0.06 0.04 -0.03 -0.04 1.68 1.59 1y7iA1 LYS 97 HE2 0.02 0.06 -0.07 -0.04 2.99 2.96 1y7iA1 LYS 97 HE3 0.12 -0.11 -0.03 -0.04 2.99 2.93 1y7iA1 ILE 98 H -0.11 0.39 -0.56 -0.55 8.25 7.43 1y7iA1 ILE 98 HA -0.14 0.21 1.11 -0.75 4.18 4.60 1y7iA1 ILE 98 HB -0.06 0.11 0.03 -0.04 1.89 1.92 1y7iA1 ILE 98 HG12 -0.08 -0.02 -0.19 -0.04 1.49 1.17 1y7iA1 ILE 98 HG13 -0.04 0.02 -0.55 -0.04 1.21 0.60 1y7iA1 ILE 98 HG23 -0.09 -0.05 -0.23 -0.04 0.93 0.52 1y7iA1 ILE 98 HD13 -0.01 -0.03 -0.19 -0.04 0.88 0.62 1y7iA1 TYR 99 H -0.06 0.53 0.27 -0.55 8.29 8.48 1y7iA1 TYR 99 HA -0.04 0.06 0.48 -0.75 4.56 4.31 1y7iA1 TYR 99 HB2 -0.12 -0.04 0.07 -0.04 3.06 2.92 1y7iA1 TYR 99 HB3 -0.05 0.08 -0.03 -0.04 2.98 2.95 1y7iA1 TYR 99 HD2 -0.06 -0.07 -0.13 -0.04 7.15 6.85 1y7iA1 TYR 99 HE2 -0.03 -0.06 -0.06 -0.04 6.85 6.66 1y7iA1 ALA 100 H -0.04 0.17 0.09 -0.55 8.40 8.07 1y7iA1 ALA 100 HA -0.14 0.12 0.42 -0.75 4.34 3.99 1y7iA1 ALA 100 HB3 -0.35 0.04 -0.11 -0.04 1.41 0.94 1y7iA1 ALA 101 H -0.11 0.71 0.22 -0.55 8.40 8.68 1y7iA1 ALA 101 HA -0.19 0.12 0.91 -0.75 4.34 4.42 1y7iA1 ALA 101 HB3 -0.14 0.01 -0.00 -0.04 1.41 1.24 1y7iA1 VAL 102 H -0.22 0.83 0.31 -0.55 8.24 8.61 1y7iA1 VAL 102 HA -0.02 0.22 1.00 -0.75 4.13 4.58 1y7iA1 VAL 102 HB -0.10 -0.04 0.22 -0.04 2.12 2.16 1y7iA1 VAL 102 HG13 -0.03 -0.04 -0.24 -0.04 0.97 0.62 1y7iA1 VAL 102 HG23 -0.05 0.03 -0.15 -0.04 0.95 0.73 1y7iA1 PHE 103 H 0.20 0.90 0.40 -0.55 8.34 9.28 1y7iA1 PHE 103 HA -0.11 0.24 0.90 -0.75 4.62 4.89 1y7iA1 PHE 103 HB2 -0.24 -0.04 0.20 -0.04 3.15 3.02 1y7iA1 PHE 103 HB3 -0.28 -0.11 -0.02 -0.04 3.06 2.61 1y7iA1 PHE 103 HD2 0.03 -0.00 -0.11 -0.04 7.28 7.16 1y7iA1 PHE 103 HE2 0.03 0.13 -0.11 -0.04 7.38 7.39 1y7iA1 PHE 103 HZ 0.06 0.05 -0.15 -0.04 7.32 7.24 1y7iA1 LEU 104 H -0.06 0.58 0.13 -0.55 8.37 8.48 1y7iA1 LEU 104 HA -0.13 0.09 0.73 -0.75 4.35 4.28 1y7iA1 LEU 104 HB2 0.03 -0.00 -0.05 -0.04 1.64 1.57 1y7iA1 LEU 104 HB3 0.12 -0.01 0.05 -0.04 1.64 1.76 1y7iA1 LEU 104 HG 0.01 0.05 -0.15 -0.04 1.64 1.51 1y7iA1 LEU 104 HD13 -0.04 0.02 -0.08 -0.04 0.93 0.79 1y7iA1 LEU 104 HD23 -0.03 -0.02 -0.05 -0.04 0.89 0.75 1y7iA1 ALA 105 H -0.23 0.72 0.36 -0.55 8.40 8.69 1y7iA1 ALA 105 HA 0.13 -0.02 0.40 -0.75 4.34 4.10 1y7iA1 ALA 105 HB3 0.00 0.01 0.12 -0.04 1.41 1.50 1y7iA1 ALA 106 H -0.30 0.08 -0.48 -0.55 8.40 7.14 1y7iA1 ALA 106 HA -0.10 0.02 0.97 -0.75 4.34 4.47 1y7iA1 ALA 106 HB3 0.16 0.06 -0.07 -0.04 1.41 1.52 1y7iA1 PHE 107 H 0.24 0.70 0.08 -0.55 8.34 8.81 1y7iA1 PHE 107 HA 0.29 0.16 0.51 -0.75 4.62 4.82 1y7iA1 PHE 107 HB2 0.20 0.06 0.04 -0.04 3.15 3.41 1y7iA1 PHE 107 HB3 0.23 -0.02 -0.02 -0.04 3.06 3.20 1y7iA1 PHE 107 HD2 0.24 -0.00 -0.13 -0.04 7.28 7.35 1y7iA1 PHE 107 HE2 -0.27 -0.01 -0.08 -0.04 7.38 6.98 1y7iA1 PHE 107 HZ -1.47 0.05 -0.08 -0.04 7.32 5.77 1y7iA1 PRO 109 HA 0.22 -0.19 0.21 -0.51 4.44 4.17 1y7iA1 PRO 109 HB2 -0.54 0.03 -0.09 -0.04 2.28 1.65 1y7iA1 PRO 109 HB3 0.28 -0.03 0.08 -0.04 2.02 2.31 1y7iA1 PRO 109 HG2 -0.20 -0.01 0.07 -0.04 2.03 1.85 1y7iA1 PRO 109 HG3 0.21 -0.04 -0.11 -0.04 2.03 2.05 1y7iA1 PRO 109 HD2 0.25 0.03 0.08 -0.04 3.68 4.00 1y7iA1 PRO 109 HD3 0.35 0.18 1.74 -0.04 3.65 5.88 1y7iA1 ASP 110 H 0.19 0.13 0.14 -0.55 8.40 8.32 1y7iA1 ASP 110 HA 0.25 0.32 0.77 -0.75 4.63 5.21 1y7iA1 ASP 110 HB2 0.14 0.07 0.15 -0.04 2.71 3.03 1y7iA1 ASP 110 HB3 0.17 0.10 -0.09 -0.04 2.70 2.84 1y7iA1 SER 111 H 0.19 0.25 0.01 -0.55 8.46 8.36 1y7iA1 SER 111 HA 0.08 0.32 0.72 -0.75 4.49 4.86 1y7iA1 SER 111 HB2 0.14 -0.15 -0.09 -0.04 3.95 3.80 1y7iA1 SER 111 HB3 0.29 0.02 -0.51 -0.04 3.93 3.68 1y7iA1 VAL 112 H 0.05 -0.04 -0.36 -0.55 8.24 7.35 1y7iA1 VAL 112 HA -0.12 0.21 0.95 -0.75 4.13 4.42 1y7iA1 VAL 112 HB -0.20 -0.07 0.09 -0.04 2.12 1.90 1y7iA1 VAL 112 HG13 -0.50 0.00 -0.08 -0.04 0.97 0.35 1y7iA1 VAL 112 HG23 -0.03 0.00 -0.06 -0.04 0.95 0.82 1y7iA1 HIS 113 H 0.06 -0.01 0.03 -0.55 8.41 7.94 1y7iA1 HIS 113 HA -0.12 0.22 0.81 -0.75 4.63 4.78 1y7iA1 HIS 113 HB2 -0.35 0.05 0.07 -0.04 3.26 2.99 1y7iA1 HIS 113 HB3 -0.23 -0.09 0.19 -0.04 3.20 3.01 1y7iA1 HIS 113 HD2 -0.30 -0.00 -0.01 -0.04 6.97 6.61 1y7iA1 HIS 113 HE1 -0.29 0.13 -0.01 -0.04 7.75 7.53 1y7iA1 ASN 114 H 0.12 0.08 0.14 -0.55 8.53 8.32 1y7iA1 ASN 114 HA -0.00 0.15 0.42 -0.75 4.76 4.57 1y7iA1 ASN 114 HB2 0.10 0.01 0.15 -0.04 2.88 3.09 1y7iA1 ASN 114 HB3 0.11 -0.17 0.03 -0.04 2.79 2.71 1y7iA1 ASN 114 HD21 -0.04 0.03 -0.18 -0.04 7.03 6.80 1y7iA1 ASN 114 HD22 -0.02 -0.01 -0.08 -0.04 7.74 7.59 1y7iA1 SER 115 H -0.01 0.56 0.50 -0.55 8.46 8.96 1y7iA1 SER 115 HA 0.23 0.12 0.48 -0.75 4.49 4.57 1y7iA1 SER 115 HB2 0.12 0.16 0.29 -0.04 3.95 4.48 1y7iA1 SER 115 HB3 0.09 0.02 0.17 -0.04 3.93 4.16 1y7iA1 SER 116 H 0.15 0.12 -0.44 -0.55 8.46 7.74 1y7iA1 SER 116 HA 0.16 0.19 0.65 -0.75 4.49 4.74 1y7iA1 SER 116 HB2 0.10 0.00 -0.04 -0.04 3.95 3.97 1y7iA1 SER 116 HB3 0.12 -0.05 -0.51 -0.04 3.93 3.46 1y7iA1 PHE 117 H 0.33 0.57 -0.33 -0.55 8.34 8.35 1y7iA1 PHE 117 HA 0.09 0.01 0.29 -0.75 4.62 4.26 1y7iA1 PHE 117 HB2 0.11 0.04 0.10 -0.04 3.15 3.36 1y7iA1 PHE 117 HB3 0.13 0.00 0.06 -0.04 3.06 3.21 1y7iA1 PHE 117 HD2 0.03 -0.02 -0.04 -0.04 7.28 7.20 1y7iA1 PHE 117 HE2 -0.09 0.05 -0.07 -0.04 7.38 7.23 1y7iA1 PHE 117 HZ 0.00 0.04 -0.05 -0.04 7.32 7.27 1y7iA1 VAL 118 H 0.27 0.19 -0.22 -0.55 8.24 7.94 1y7iA1 VAL 118 HA 0.08 0.10 0.41 -0.75 4.13 3.96 1y7iA1 VAL 118 HB 0.27 0.04 0.01 -0.04 2.12 2.40 1y7iA1 VAL 118 HG13 0.55 0.00 -0.09 -0.04 0.97 1.38 1y7iA1 VAL 118 HG23 0.32 0.02 -0.02 -0.04 0.95 1.23 1y7iA1 LEU 119 H 0.07 0.17 -0.22 -0.55 8.37 7.84 1y7iA1 LEU 119 HA -0.27 0.06 0.43 -0.75 4.35 3.81 1y7iA1 LEU 119 HB2 0.02 0.07 0.08 -0.04 1.64 1.77 1y7iA1 LEU 119 HB3 -0.07 -0.01 0.01 -0.04 1.64 1.53 1y7iA1 LEU 119 HG -0.02 -0.03 0.03 -0.04 1.64 1.57 1y7iA1 LEU 119 HD13 0.07 0.00 0.06 -0.04 0.93 1.02 1y7iA1 LEU 119 HD23 -0.74 -0.00 -0.02 -0.04 0.89 0.09 1y7iA1 GLU 120 H 0.03 0.58 -0.18 -0.55 8.60 8.49 1y7iA1 GLU 120 HA -0.00 0.04 0.39 -0.75 4.29 3.96 1y7iA1 GLU 120 HB2 0.02 0.09 0.03 -0.04 2.09 2.19 1y7iA1 GLU 120 HB3 0.01 -0.03 -0.03 -0.04 1.99 1.90 1y7iA1 GLU 120 HG2 0.04 -0.03 -0.06 -0.04 2.34 2.25 1y7iA1 GLU 120 HG3 0.08 0.33 -0.11 -0.04 2.34 2.59 1y7iA1 GLN 121 H -0.09 0.42 -0.18 -0.55 8.47 8.07 1y7iA1 GLN 121 HA -0.16 0.01 0.40 -0.75 4.36 3.86 1y7iA1 GLN 121 HB2 -0.08 0.11 0.11 -0.04 2.15 2.25 1y7iA1 GLN 121 HB3 -0.52 -0.04 -0.01 -0.04 2.02 1.41 1y7iA1 GLN 121 HG2 -0.49 0.33 0.12 -0.04 2.40 2.32 1y7iA1 GLN 121 HG3 -0.49 -0.03 -0.02 -0.04 2.39 1.80 1y7iA1 GLN 121 HE21 0.02 -0.02 -0.05 -0.04 6.97 6.88 1y7iA1 GLN 121 HE22 -0.09 0.02 -0.04 -0.04 7.69 7.54 1y7iA1 TYR 122 H 0.05 0.45 -0.22 -0.55 8.29 8.03 1y7iA1 TYR 122 HA -0.73 -0.00 0.34 -0.75 4.56 3.42 1y7iA1 TYR 122 HB2 -0.58 0.01 0.08 -0.04 3.06 2.52 1y7iA1 TYR 122 HB3 -0.24 0.10 0.15 -0.04 2.98 2.94 1y7iA1 TYR 122 HD2 -0.47 -0.02 -0.07 -0.04 7.15 6.55 1y7iA1 TYR 122 HE2 -0.02 0.01 0.00 -0.04 6.85 6.80 1y7iA1 ASN 123 H 0.00 0.53 -0.14 -0.55 8.53 8.38 1y7iA1 ASN 123 HA -0.08 0.05 0.39 -0.75 4.76 4.37 1y7iA1 ASN 123 HB2 -0.01 0.04 0.11 -0.04 2.88 2.98 1y7iA1 ASN 123 HB3 0.00 -0.03 -0.00 -0.04 2.79 2.72 1y7iA1 ASN 123 HD21 0.05 -0.12 -0.11 -0.04 7.03 6.81 1y7iA1 ASN 123 HD22 0.01 -0.06 -0.11 -0.04 7.74 7.54 1y7iA1 GLU 124 H -0.10 0.53 -0.17 -0.55 8.60 8.31 1y7iA1 GLU 124 HA -0.07 -0.02 0.36 -0.75 4.29 3.81 1y7iA1 GLU 124 HB2 -0.11 0.11 0.13 -0.04 2.09 2.18 1y7iA1 GLU 124 HB3 -0.08 -0.08 0.00 -0.04 1.99 1.79 1y7iA1 GLU 124 HG2 -0.04 -0.07 0.02 -0.04 2.34 2.20 1y7iA1 GLU 124 HG3 -0.05 0.25 0.09 -0.04 2.34 2.58 1y7iA1 ARG 125 H -0.22 0.43 -0.30 -0.55 8.46 7.81 1y7iA1 ARG 125 HA -0.14 -0.00 0.48 -0.75 4.34 3.92 1y7iA1 ARG 125 HB2 -0.32 0.12 0.09 -0.04 1.90 1.75 1y7iA1 ARG 125 HB3 -0.18 -0.11 0.06 -0.04 1.80 1.53 1y7iA1 ARG 125 HG2 -0.15 -0.07 -0.02 -0.04 1.67 1.39 1y7iA1 ARG 125 HG3 -0.21 0.20 0.03 -0.04 1.67 1.64 1y7iA1 ARG 125 HD2 -0.05 -0.01 -0.08 -0.04 3.22 3.04 1y7iA1 ARG 125 HD3 -0.09 -0.06 -0.04 -0.04 3.22 2.99 1y7iA1 THR 126 H -0.31 0.35 -0.35 -0.55 8.28 7.43 1y7iA1 THR 126 HA -0.29 0.12 0.88 -0.75 4.39 4.34 1y7iA1 THR 126 HB -0.37 -0.02 0.15 -0.04 4.32 4.04 1y7iA1 THR 126 HG23 -0.64 -0.02 -0.15 -0.04 1.22 0.38 1y7iA1 PRO 127 HA -0.01 0.09 0.49 -0.51 4.44 4.50 1y7iA1 PRO 127 HB2 -0.01 -0.14 0.07 -0.04 2.28 2.16 1y7iA1 PRO 127 HB3 -0.04 0.09 0.12 -0.04 2.02 2.15 1y7iA1 PRO 127 HG2 -0.06 -0.16 0.13 -0.04 2.03 1.90 1y7iA1 PRO 127 HG3 -0.06 0.05 0.11 -0.04 2.03 2.09 1y7iA1 PRO 127 HD2 -0.16 0.08 0.33 -0.04 3.68 3.89 1y7iA1 PRO 127 HD3 -0.11 0.34 0.24 -0.04 3.65 4.08 1y7iA1 ALA 128 H 0.05 0.15 0.19 -0.55 8.40 8.23 1y7iA1 ALA 128 HA 0.31 0.14 0.35 -0.75 4.34 4.39 1y7iA1 ALA 128 HB3 0.06 0.01 0.10 -0.04 1.41 1.54 1y7iA1 GLU 129 H 0.06 0.05 -0.22 -0.55 8.60 7.95 1y7iA1 GLU 129 HA 0.10 0.10 0.42 -0.75 4.29 4.16 1y7iA1 GLU 129 HB2 0.04 -0.02 0.08 -0.04 2.09 2.15 1y7iA1 GLU 129 HB3 0.02 0.02 0.02 -0.04 1.99 2.01 1y7iA1 GLU 129 HG2 0.05 -0.00 0.07 -0.04 2.34 2.42 1y7iA1 GLU 129 HG3 0.02 -0.01 0.00 -0.04 2.34 2.31 1y7iA1 ASN 130 H 0.02 0.35 -0.26 -0.55 8.53 8.09 1y7iA1 ASN 130 HA 0.01 0.00 0.38 -0.75 4.76 4.40 1y7iA1 ASN 130 HB2 -0.22 0.25 0.05 -0.04 2.88 2.91 1y7iA1 ASN 130 HB3 -0.20 0.02 0.05 -0.04 2.79 2.62 1y7iA1 ASN 130 HD21 -0.10 -0.04 0.08 -0.04 7.03 6.92 1y7iA1 ASN 130 HD22 -0.18 0.07 0.07 -0.04 7.74 7.66 1y7iA1 TRP 131 H 0.31 0.40 -0.43 -0.55 7.97 7.70 1y7iA1 TRP 131 HA 0.08 0.07 0.50 -0.75 4.62 4.52 1y7iA1 TRP 131 HB2 0.12 0.20 0.05 -0.04 3.23 3.56 1y7iA1 TRP 131 HB3 0.04 -0.10 0.05 -0.04 3.23 3.19 1y7iA1 TRP 131 HD1 0.01 0.03 -0.05 -0.04 7.22 7.18 1y7iA1 TRP 131 HE1 -0.07 0.09 -0.09 -0.04 10.20 10.09 1y7iA1 TRP 131 HE3 -0.54 -0.07 -0.02 -0.04 7.59 6.92 1y7iA1 TRP 131 HZ2 0.24 -0.00 -0.08 -0.04 7.44 7.56 1y7iA1 TRP 131 HZ3 0.28 -0.06 -0.08 -0.04 7.13 7.23 1y7iA1 TRP 131 HH2 0.42 -0.05 -0.08 -0.04 7.19 7.44 1y7iA1 LEU 132 H 0.24 0.51 -0.46 -0.55 8.37 8.11 1y7iA1 LEU 132 HA 0.16 0.09 0.32 -0.75 4.35 4.16 1y7iA1 LEU 132 HB2 0.37 -0.01 -0.11 -0.04 1.64 1.84 1y7iA1 LEU 132 HB3 0.19 -0.16 0.11 -0.04 1.64 1.74 1y7iA1 LEU 132 HG 0.23 0.25 -0.18 -0.04 1.64 1.90 1y7iA1 LEU 132 HD13 0.16 -0.04 -0.22 -0.04 0.93 0.79 1y7iA1 LEU 132 HD23 0.09 0.05 0.03 -0.04 0.89 1.02 1y7iA1 ASP 133 H 0.17 -0.08 0.18 -0.55 8.40 8.12 1y7iA1 ASP 133 HA 0.07 0.25 0.68 -0.75 4.63 4.88 1y7iA1 ASP 133 HB2 0.03 0.08 0.23 -0.04 2.71 3.02 1y7iA1 ASP 133 HB3 0.06 0.01 0.11 -0.04 2.70 2.85 1y7iA1 THR 134 H 0.09 0.58 -0.35 -0.55 8.28 8.04 1y7iA1 THR 134 HA -0.10 -0.07 0.55 -0.75 4.39 4.01 1y7iA1 THR 134 HB -0.01 0.02 0.03 -0.04 4.32 4.31 1y7iA1 THR 134 HG23 -0.65 -0.01 -0.34 -0.04 1.22 0.18 1y7iA1 GLN 135 H -0.21 0.78 0.31 -0.55 8.47 8.80 1y7iA1 GLN 135 HA -0.07 0.09 0.95 -0.75 4.36 4.58 1y7iA1 GLN 135 HB2 0.01 -0.01 0.05 -0.04 2.15 2.15 1y7iA1 GLN 135 HB3 0.06 0.06 0.18 -0.04 2.02 2.28 1y7iA1 GLN 135 HG2 0.00 -0.02 -0.39 -0.04 2.40 1.95 1y7iA1 GLN 135 HG3 0.02 -0.01 -0.06 -0.04 2.39 2.29 1y7iA1 GLN 135 HE21 0.04 -0.05 -0.02 -0.04 6.97 6.90 1y7iA1 GLN 135 HE22 0.03 0.01 -0.03 -0.04 7.69 7.65 1y7iA1 PHE 136 H 0.06 0.17 0.17 -0.55 8.34 8.19 1y7iA1 PHE 136 HA -0.11 0.55 1.05 -0.75 4.62 5.36 1y7iA1 PHE 136 HB2 -0.15 -0.05 0.14 -0.04 3.15 3.05 1y7iA1 PHE 136 HB3 -0.16 -0.06 -0.01 -0.04 3.06 2.79 1y7iA1 PHE 136 HD2 -0.27 0.05 -0.09 -0.04 7.28 6.94 1y7iA1 PHE 136 HE2 -0.74 -0.04 -0.13 -0.04 7.38 6.42 1y7iA1 PHE 136 HZ -2.70 -0.03 -0.13 -0.04 7.32 4.42 1y7iA1 LEU 137 H 0.05 0.38 0.23 -0.55 8.37 8.49 1y7iA1 LEU 137 HA 0.04 0.18 0.84 -0.75 4.35 4.67 1y7iA1 LEU 137 HB2 0.01 -0.04 -0.00 -0.04 1.64 1.57 1y7iA1 LEU 137 HB3 0.03 0.08 0.04 -0.04 1.64 1.75 1y7iA1 LEU 137 HG 0.01 -0.05 -0.62 -0.04 1.64 0.94 1y7iA1 LEU 137 HD13 -0.00 -0.01 -0.07 -0.04 0.93 0.80 1y7iA1 LEU 137 HD23 0.02 0.04 0.07 -0.04 0.89 0.98 1y7iA1 PRO 138 HA 0.03 0.32 0.94 -0.51 4.44 5.22 1y7iA1 PRO 138 HB2 -0.02 -0.02 0.05 -0.04 2.28 2.25 1y7iA1 PRO 138 HB3 -0.02 -0.01 0.07 -0.04 2.02 2.01 1y7iA1 PRO 138 HG2 0.02 0.04 0.12 -0.04 2.03 2.17 1y7iA1 PRO 138 HG3 -0.00 0.02 0.07 -0.04 2.03 2.08 1y7iA1 PRO 138 HD2 0.03 0.11 0.28 -0.04 3.68 4.05 1y7iA1 PRO 138 HD3 0.02 0.13 0.12 -0.04 3.65 3.88 1y7iA1 TYR 139 H -0.19 0.55 0.37 -0.55 8.29 8.48 1y7iA1 TYR 139 HA -0.02 0.14 0.69 -0.75 4.56 4.62 1y7iA1 TYR 139 HB2 -0.02 -0.04 0.19 -0.04 3.06 3.15 1y7iA1 TYR 139 HB3 -0.03 0.04 -0.16 -0.04 2.98 2.79 1y7iA1 TYR 139 HD2 -0.02 0.04 -0.10 -0.04 7.15 7.02 1y7iA1 TYR 139 HE2 -0.04 0.12 -0.38 -0.04 6.85 6.51 1y7iA1 GLY 140 H -0.15 -0.01 0.16 -0.55 8.43 7.89 1y7iA1 GLY 140 HA2 -0.10 0.26 0.95 -0.51 4.01 4.61 1y7iA1 GLY 140 HA3 -0.19 0.11 0.43 -0.51 4.01 3.84 1y7iA1 SER 141 H -0.06 0.40 0.09 -0.55 8.46 8.35 1y7iA1 SER 141 HA -0.02 0.23 0.74 -0.75 4.49 4.69 1y7iA1 SER 141 HB2 -0.01 -0.01 0.11 -0.04 3.95 3.99 1y7iA1 SER 141 HB3 -0.01 0.08 0.04 -0.04 3.93 3.99 1y7iA1 PRO 142 HA -0.03 0.12 0.40 -0.51 4.44 4.43 1y7iA1 PRO 142 HB2 -0.01 0.05 0.00 -0.04 2.28 2.28 1y7iA1 PRO 142 HB3 -0.01 0.04 0.10 -0.04 2.02 2.11 1y7iA1 PRO 142 HG2 -0.01 -0.02 0.07 -0.04 2.03 2.03 1y7iA1 PRO 142 HG3 -0.01 0.06 0.07 -0.04 2.03 2.11 1y7iA1 PRO 142 HD2 -0.01 0.08 0.21 -0.04 3.68 3.91 1y7iA1 PRO 142 HD3 -0.01 0.19 0.17 -0.04 3.65 3.96 1y7iA1 GLU 143 H -0.02 0.04 -0.23 -0.55 8.60 7.85 1y7iA1 GLU 143 HA -0.01 0.17 0.64 -0.75 4.29 4.33 1y7iA1 GLU 143 HB2 -0.01 0.04 0.06 -0.04 2.09 2.14 1y7iA1 GLU 143 HB3 -0.01 -0.02 0.03 -0.04 1.99 1.96 1y7iA1 GLU 143 HG2 -0.01 -0.11 0.01 -0.04 2.34 2.19 1y7iA1 GLU 143 HG3 -0.01 0.06 -0.17 -0.04 2.34 2.19 1y7iA1 GLU 144 H -0.03 -0.02 -0.53 -0.55 8.60 7.48 1y7iA1 GLU 144 HA -0.02 0.22 0.71 -0.75 4.29 4.44 1y7iA1 GLU 144 HB2 -0.02 -0.14 0.12 -0.04 2.09 2.01 1y7iA1 GLU 144 HB3 -0.02 0.06 0.12 -0.04 1.99 2.11 1y7iA1 GLU 144 HG2 -0.01 0.17 -0.05 -0.04 2.34 2.41 1y7iA1 GLU 144 HG3 -0.01 -0.12 -0.34 -0.04 2.34 1.83 1y7iA1 PRO 145 HA -0.10 -0.04 0.42 -0.51 4.44 4.22 1y7iA1 PRO 145 HB2 -0.07 -0.04 -0.07 -0.04 2.28 2.06 1y7iA1 PRO 145 HB3 -0.05 0.05 0.03 -0.04 2.02 2.01 1y7iA1 PRO 145 HG2 -0.04 -0.00 0.02 -0.04 2.03 1.96 1y7iA1 PRO 145 HG3 -0.04 0.04 -0.00 -0.04 2.03 1.99 1y7iA1 PRO 145 HD2 -0.03 0.14 -0.10 -0.04 3.68 3.65 1y7iA1 PRO 145 HD3 -0.03 0.24 -0.32 -0.04 3.65 3.49 1y7iA1 LEU 146 H -0.21 0.08 0.17 -0.55 8.37 7.86 1y7iA1 LEU 146 HA -0.22 0.13 0.71 -0.75 4.35 4.22 1y7iA1 LEU 146 HB2 -0.96 -0.12 -0.06 -0.04 1.64 0.46 1y7iA1 LEU 146 HB3 -1.14 0.10 -0.06 -0.04 1.64 0.49 1y7iA1 LEU 146 HG -0.20 0.10 -0.47 -0.04 1.64 1.02 1y7iA1 LEU 146 HD13 -0.17 0.03 -0.04 -0.04 0.93 0.71 1y7iA1 LEU 146 HD23 -0.04 0.03 0.10 -0.04 0.89 0.93 1y7iA1 THR 147 H -0.12 0.16 0.14 -0.55 8.28 7.92 1y7iA1 THR 147 HA 0.02 0.18 0.88 -0.75 4.39 4.72 1y7iA1 THR 147 HB -0.05 -0.07 0.07 -0.04 4.32 4.23 1y7iA1 THR 147 HG23 0.05 0.04 -0.15 -0.04 1.22 1.13 1y7iA1 SER 148 H 0.13 0.77 0.29 -0.55 8.46 9.10 1y7iA1 SER 148 HA -0.01 0.26 0.85 -0.75 4.49 4.83 1y7iA1 SER 148 HB2 0.01 -0.00 0.00 -0.04 3.95 3.92 1y7iA1 SER 148 HB3 -0.03 -0.07 0.17 -0.04 3.93 3.96 1y7iA1 PHE 150 HA -0.31 -0.12 0.30 -0.75 4.62 3.73 1y7iA1 PHE 150 HB2 -0.17 -0.07 0.11 -0.04 3.15 2.98 1y7iA1 PHE 150 HB3 -0.16 -0.01 0.15 -0.04 3.06 2.99 1y7iA1 PHE 150 HD2 -0.10 -0.05 -0.20 -0.04 7.28 6.88 1y7iA1 PHE 150 HE2 -0.03 -0.01 -0.35 -0.04 7.38 6.94 1y7iA1 PHE 150 HZ -0.03 0.10 -0.06 -0.04 7.32 7.28 1y7iA1 PHE 151 H -0.38 0.08 0.06 -0.55 8.34 7.55 1y7iA1 PHE 151 HA -0.20 -0.03 0.43 -0.75 4.62 4.07 1y7iA1 PHE 151 HB2 0.05 0.03 0.06 -0.04 3.15 3.25 1y7iA1 PHE 151 HB3 0.27 -0.04 -0.02 -0.04 3.06 3.23 1y7iA1 PHE 151 HD2 0.08 0.02 -0.04 -0.04 7.28 7.30 1y7iA1 PHE 151 HE2 0.34 0.06 -0.03 -0.04 7.38 7.71 1y7iA1 PHE 151 HZ 0.34 -0.06 -0.03 -0.04 7.32 7.52 1y7iA1 GLY 152 H 0.06 -0.00 0.07 -0.55 8.43 8.01 1y7iA1 GLY 152 HA2 -0.23 0.29 0.68 -0.51 4.01 4.24 1y7iA1 GLY 152 HA3 -0.04 0.07 0.26 -0.51 4.01 3.79 1y7iA1 PRO 153 HA -0.05 0.11 0.45 -0.51 4.44 4.44 1y7iA1 PRO 153 HB2 -0.04 0.02 0.01 -0.04 2.28 2.24 1y7iA1 PRO 153 HB3 -0.05 0.12 0.12 -0.04 2.02 2.17 1y7iA1 PRO 153 HG2 0.00 -0.09 0.14 -0.04 2.03 2.04 1y7iA1 PRO 153 HG3 -0.02 0.11 0.10 -0.04 2.03 2.19 1y7iA1 PRO 153 HD2 -0.03 0.14 0.26 -0.04 3.68 4.00 1y7iA1 PRO 153 HD3 -0.07 0.26 0.21 -0.04 3.65 4.00 1y7iA1 LYS 154 H 0.05 0.16 -0.07 -0.55 8.42 8.00 1y7iA1 LYS 154 HA -0.00 0.13 0.49 -0.75 4.32 4.18 1y7iA1 LYS 154 HB2 0.13 -0.10 0.11 -0.04 1.87 1.97 1y7iA1 LYS 154 HB3 0.22 0.07 0.02 -0.04 1.79 2.05 1y7iA1 LYS 154 HG2 0.13 0.04 0.02 -0.04 1.46 1.61 1y7iA1 LYS 154 HG3 0.06 -0.03 0.05 -0.04 1.46 1.51 1y7iA1 LYS 154 HD2 0.06 0.03 0.01 -0.04 1.69 1.76 1y7iA1 LYS 154 HD3 0.07 0.01 0.03 -0.04 1.68 1.75 1y7iA1 LYS 154 HE2 0.10 -0.02 -0.01 -0.04 2.99 3.03 1y7iA1 LYS 154 HE3 0.08 0.01 0.00 -0.04 2.99 3.04 1y7iA1 PHE 155 H 0.21 0.05 -0.21 -0.55 8.34 7.84 1y7iA1 PHE 155 HA 0.02 0.14 0.35 -0.75 4.62 4.37 1y7iA1 PHE 155 HB2 0.07 0.02 0.09 -0.04 3.15 3.28 1y7iA1 PHE 155 HB3 0.02 0.04 0.08 -0.04 3.06 3.16 1y7iA1 PHE 155 HD2 -0.19 0.02 -0.15 -0.04 7.28 6.92 1y7iA1 PHE 155 HE2 -0.82 0.08 -0.04 -0.04 7.38 6.57 1y7iA1 PHE 155 HZ -0.41 0.03 -0.04 -0.04 7.32 6.86 1y7iA1 LEU 156 H 0.08 0.45 -0.27 -0.55 8.37 8.09 1y7iA1 LEU 156 HA -0.01 0.00 0.36 -0.75 4.35 3.96 1y7iA1 LEU 156 HB2 -0.08 0.08 0.10 -0.04 1.64 1.71 1y7iA1 LEU 156 HB3 -0.19 -0.04 -0.06 -0.04 1.64 1.30 1y7iA1 LEU 156 HG 0.19 0.10 -0.13 -0.04 1.64 1.76 1y7iA1 LEU 156 HD13 -0.03 0.00 -0.20 -0.04 0.93 0.66 1y7iA1 LEU 156 HD23 0.38 -0.01 -0.07 -0.04 0.89 1.15 1y7iA1 ALA 157 H -0.17 0.58 -0.09 -0.55 8.40 8.18 1y7iA1 ALA 157 HA -0.14 0.00 0.33 -0.75 4.34 3.78 1y7iA1 ALA 157 HB3 -0.43 0.01 0.09 -0.04 1.41 1.04 1y7iA1 HIS 158 H -0.27 0.58 -0.09 -0.55 8.41 8.09 1y7iA1 HIS 158 HA -0.05 0.17 0.90 -0.75 4.63 4.90 1y7iA1 HIS 158 HB2 -0.06 0.07 0.03 -0.04 3.26 3.25 1y7iA1 HIS 158 HB3 -0.05 -0.01 0.11 -0.04 3.20 3.21 1y7iA1 HIS 158 HD2 -0.02 0.05 -0.07 -0.04 6.97 6.88 1y7iA1 HIS 158 HE1 -0.00 -0.05 0.01 -0.04 7.75 7.67 1y7iA1 LYS 159 H -0.26 0.42 -0.07 -0.55 8.42 7.95 1y7iA1 LYS 159 HA -0.24 0.23 1.00 -0.75 4.32 4.56 1y7iA1 LYS 159 HB2 -0.98 0.14 0.22 -0.04 1.87 1.20 1y7iA1 LYS 159 HB3 -1.29 -0.09 -0.04 -0.04 1.79 0.33 1y7iA1 LYS 159 HG2 -0.47 0.12 0.04 -0.04 1.46 1.12 1y7iA1 LYS 159 HG3 -0.40 0.07 -0.06 -0.04 1.46 1.04 1y7iA1 LYS 159 HD2 -0.16 0.07 -0.07 -0.04 1.69 1.49 1y7iA1 LYS 159 HD3 -0.13 -0.12 -0.20 -0.04 1.68 1.20 1y7iA1 LYS 159 HE2 -0.04 0.23 0.12 -0.04 2.99 3.25 1y7iA1 LYS 159 HE3 -0.12 0.08 0.07 -0.04 2.99 2.98 1y7iA1 LEU 160 H -0.20 0.34 0.17 -0.55 8.37 8.14 1y7iA1 LEU 160 HA -0.14 0.06 1.15 -0.75 4.35 4.67 1y7iA1 LEU 160 HB2 0.27 0.08 0.09 -0.04 1.64 2.05 1y7iA1 LEU 160 HB3 0.04 -0.03 0.08 -0.04 1.64 1.69 1y7iA1 LEU 160 HG -0.62 0.08 -0.11 -0.04 1.64 0.95 1y7iA1 LEU 160 HD13 -0.09 0.00 -0.05 -0.04 0.93 0.76 1y7iA1 LEU 160 HD23 -0.67 0.04 -0.23 -0.04 0.89 -0.01 1y7iA1 TYR 161 H 0.15 0.59 0.18 -0.55 8.29 8.65 1y7iA1 TYR 161 HA -0.01 0.15 0.93 -0.75 4.56 4.87 1y7iA1 TYR 161 HB2 -0.04 0.13 -0.05 -0.04 3.06 3.06 1y7iA1 TYR 161 HB3 -0.00 -0.07 0.08 -0.04 2.98 2.95 1y7iA1 TYR 161 HD2 0.04 -0.04 -0.15 -0.04 7.15 6.96 1y7iA1 TYR 161 HE2 0.26 0.01 -0.11 -0.04 6.85 6.98 1y7iA1 GLN 162 H 0.01 0.06 -0.22 -0.55 8.47 7.77 1y7iA1 GLN 162 HA 0.02 0.20 0.38 -0.75 4.36 4.20 1y7iA1 GLN 162 HB2 0.04 -0.00 0.16 -0.04 2.15 2.31 1y7iA1 GLN 162 HB3 0.00 0.03 0.03 -0.04 2.02 2.04 1y7iA1 GLN 162 HG2 0.01 0.02 -0.42 -0.04 2.40 1.97 1y7iA1 GLN 162 HG3 0.01 0.01 -0.04 -0.04 2.39 2.32 1y7iA1 GLN 162 HE21 -0.02 0.43 0.06 -0.04 6.97 7.40 1y7iA1 GLN 162 HE22 -0.01 -0.05 -0.05 -0.04 7.69 7.54 1y7iA1 LEU 163 H 0.01 -0.07 -0.62 -0.55 8.37 7.14 1y7iA1 LEU 163 HA 0.01 0.25 0.97 -0.75 4.35 4.84 1y7iA1 LEU 163 HB2 -0.02 -0.14 -0.00 -0.04 1.64 1.44 1y7iA1 LEU 163 HB3 -0.01 0.04 0.17 -0.04 1.64 1.80 1y7iA1 LEU 163 HG -0.00 -0.06 -0.19 -0.04 1.64 1.34 1y7iA1 LEU 163 HD13 -0.01 -0.02 -0.07 -0.04 0.93 0.80 1y7iA1 LEU 163 HD23 0.01 0.06 -0.08 -0.04 0.89 0.84 1y7iA1 CYS 164 H 0.06 0.79 -0.02 -0.55 8.50 8.78 1y7iA1 CYS 164 HA 0.03 0.14 0.73 -0.75 4.58 4.73 1y7iA1 CYS 164 HB2 0.24 0.11 0.10 -0.04 2.97 3.38 1y7iA1 CYS 164 HB3 0.17 -0.14 0.10 -0.04 2.97 3.07 1y7iA1 SER 165 H 0.08 0.07 0.15 -0.55 8.46 8.21 1y7iA1 SER 165 HA 0.04 0.29 0.60 -0.75 4.49 4.67 1y7iA1 SER 165 HB2 0.04 -0.02 0.16 -0.04 3.95 4.10 1y7iA1 SER 165 HB3 0.04 0.14 0.13 -0.04 3.93 4.20 1y7iA1 PRO 166 HA 0.00 0.12 0.45 -0.51 4.44 4.50 1y7iA1 PRO 166 HB2 0.00 0.04 0.02 -0.04 2.28 2.30 1y7iA1 PRO 166 HB3 0.00 0.09 0.12 -0.04 2.02 2.19 1y7iA1 PRO 166 HG2 0.02 -0.02 0.10 -0.04 2.03 2.08 1y7iA1 PRO 166 HG3 0.01 0.09 0.09 -0.04 2.03 2.18 1y7iA1 PRO 166 HD2 0.03 0.09 0.26 -0.04 3.68 4.01 1y7iA1 PRO 166 HD3 0.02 0.24 0.19 -0.04 3.65 4.06 1y7iA1 GLU 167 H 0.04 0.12 -0.24 -0.55 8.60 7.96 1y7iA1 GLU 167 HA 0.01 0.12 0.46 -0.75 4.29 4.13 1y7iA1 GLU 167 HB2 0.06 -0.04 0.08 -0.04 2.09 2.15 1y7iA1 GLU 167 HB3 0.05 0.07 -0.01 -0.04 1.99 2.05 1y7iA1 GLU 167 HG2 0.03 0.06 0.02 -0.04 2.34 2.40 1y7iA1 GLU 167 HG3 0.02 0.04 0.01 -0.04 2.34 2.36 1y7iA1 ASP 168 H 0.10 0.07 -0.17 -0.55 8.40 7.86 1y7iA1 ASP 168 HA 0.22 0.07 0.37 -0.75 4.63 4.53 1y7iA1 ASP 168 HB2 0.22 0.13 0.12 -0.04 2.71 3.14 1y7iA1 ASP 168 HB3 0.43 0.04 -0.02 -0.04 2.70 3.10 1y7iA1 LEU 169 H 0.04 0.44 -0.28 -0.55 8.37 8.02 1y7iA1 LEU 169 HA -0.44 0.02 0.36 -0.75 4.35 3.53 1y7iA1 LEU 169 HB2 -0.07 0.07 0.00 -0.04 1.64 1.60 1y7iA1 LEU 169 HB3 -0.06 0.10 0.10 -0.04 1.64 1.74 1y7iA1 LEU 169 HG -0.14 0.00 -0.16 -0.04 1.64 1.30 1y7iA1 LEU 169 HD13 -0.31 -0.01 -0.06 -0.04 0.93 0.51 1y7iA1 LEU 169 HD23 -0.10 0.01 -0.03 -0.04 0.89 0.73 1y7iA1 ALA 170 H -0.04 0.50 -0.17 -0.55 8.40 8.14 1y7iA1 ALA 170 HA -0.08 0.02 0.41 -0.75 4.34 3.93 1y7iA1 ALA 170 HB3 -0.04 0.01 0.10 -0.04 1.41 1.44 1y7iA1 LEU 171 H -0.04 0.48 -0.26 -0.55 8.37 8.01 1y7iA1 LEU 171 HA -0.18 0.05 0.42 -0.75 4.35 3.89 1y7iA1 LEU 171 HB2 -0.05 0.00 0.07 -0.04 1.64 1.62 1y7iA1 LEU 171 HB3 0.06 0.10 0.15 -0.04 1.64 1.91 1y7iA1 LEU 171 HG -0.47 -0.01 -0.23 -0.04 1.64 0.89 1y7iA1 LEU 171 HD13 -0.31 -0.00 -0.01 -0.04 0.93 0.56 1y7iA1 LEU 171 HD23 -0.02 -0.01 -0.05 -0.04 0.89 0.76 1y7iA1 ALA 172 H -0.05 0.56 -0.09 -0.55 8.40 8.28 1y7iA1 ALA 172 HA -0.02 -0.00 0.40 -0.75 4.34 3.96 1y7iA1 ALA 172 HB3 -0.02 0.02 0.08 -0.04 1.41 1.45 1y7iA1 SER 173 H -0.14 0.57 -0.11 -0.55 8.46 8.24 1y7iA1 SER 173 HA -0.07 0.03 0.39 -0.75 4.49 4.09 1y7iA1 SER 173 HB2 -0.09 0.07 0.09 -0.04 3.95 3.98 1y7iA1 SER 173 HB3 -0.07 -0.04 0.07 -0.04 3.93 3.85 1y7iA1 SER 174 H -0.17 0.27 -0.63 -0.55 8.46 7.40 1y7iA1 SER 174 HA -0.09 0.11 0.76 -0.75 4.49 4.52 1y7iA1 SER 174 HB2 -0.12 -0.07 0.08 -0.04 3.95 3.80 1y7iA1 SER 174 HB3 -0.20 0.12 0.16 -0.04 3.93 3.97 1y7iA1 LEU 175 H -0.26 0.26 -0.13 -0.55 8.37 7.69 1y7iA1 LEU 175 HA -0.23 0.24 1.09 -0.75 4.35 4.69 1y7iA1 LEU 175 HB2 -1.25 -0.02 0.04 -0.04 1.64 0.37 1y7iA1 LEU 175 HB3 -0.83 -0.13 0.05 -0.04 1.64 0.68 1y7iA1 LEU 175 HG -0.61 0.05 -0.26 -0.04 1.64 0.78 1y7iA1 LEU 175 HD13 -1.73 -0.06 -0.09 -0.04 0.93 -0.98 1y7iA1 LEU 175 HD23 -0.40 0.01 -0.03 -0.04 0.89 0.44 1y7iA1 VAL 176 H -0.02 0.48 0.19 -0.55 8.24 8.34 1y7iA1 VAL 176 HA 0.18 0.27 0.61 -0.75 4.13 4.44 1y7iA1 VAL 176 HB 0.20 -0.05 0.09 -0.04 2.12 2.32 1y7iA1 VAL 176 HG13 0.03 0.01 0.05 -0.04 0.97 1.02 1y7iA1 VAL 176 HG23 0.07 0.03 0.02 -0.04 0.95 1.03 1y7iA1 ARG 177 H 0.17 0.31 0.40 -0.55 8.46 8.80 1y7iA1 ARG 177 HA -0.13 0.14 0.83 -0.75 4.34 4.43 1y7iA1 ARG 177 HB2 0.04 -0.04 0.13 -0.04 1.90 1.99 1y7iA1 ARG 177 HB3 -0.08 0.02 0.16 -0.04 1.80 1.86 1y7iA1 ARG 177 HG2 -0.05 -0.02 -0.03 -0.04 1.67 1.53 1y7iA1 ARG 177 HG3 0.04 0.21 -0.34 -0.04 1.67 1.54 1y7iA1 ARG 177 HD2 0.01 0.04 -0.03 -0.04 3.22 3.19 1y7iA1 ARG 177 HD3 0.06 -0.18 -0.07 -0.04 3.22 2.99 1y7iA1 PRO 178 HA -0.04 -0.00 0.61 -0.51 4.44 4.50 1y7iA1 PRO 178 HB2 -0.25 0.02 0.11 -0.04 2.28 2.12 1y7iA1 PRO 178 HB3 -0.40 0.06 0.17 -0.04 2.02 1.81 1y7iA1 PRO 178 HG2 -0.26 -0.02 0.19 -0.04 2.03 1.89 1y7iA1 PRO 178 HG3 -0.39 0.01 0.13 -0.04 2.03 1.74 1y7iA1 PRO 178 HD2 -0.35 0.14 0.30 -0.04 3.68 3.73 1y7iA1 PRO 178 HD3 -1.12 0.15 0.20 -0.04 3.65 2.84 1y7iA1 SER 179 H -0.17 0.16 0.30 -0.55 8.46 8.21 1y7iA1 SER 179 HA -0.14 0.25 0.83 -0.75 4.49 4.67 1y7iA1 SER 179 HB2 -0.04 -0.03 0.09 -0.04 3.95 3.92 1y7iA1 SER 179 HB3 -0.18 -0.01 0.12 -0.04 3.93 3.82 1y7iA1 SER 180 H -0.33 0.31 0.24 -0.55 8.46 8.13 1y7iA1 SER 180 HA -0.27 0.09 0.59 -0.75 4.49 4.15 1y7iA1 SER 180 HB2 -0.36 0.20 -0.04 -0.04 3.95 3.70 1y7iA1 SER 180 HB3 -1.50 -0.00 -0.08 -0.04 3.93 2.31 1y7iA1 LEU 181 H -0.22 0.21 0.16 -0.55 8.37 7.97 1y7iA1 LEU 181 HA 0.04 0.20 0.80 -0.75 4.35 4.63 1y7iA1 LEU 181 HB2 -0.02 0.01 0.04 -0.04 1.64 1.63 1y7iA1 LEU 181 HB3 0.03 0.01 0.10 -0.04 1.64 1.74 1y7iA1 LEU 181 HG 0.07 -0.02 -0.09 -0.04 1.64 1.55 1y7iA1 LEU 181 HD13 0.14 0.01 -0.05 -0.04 0.93 1.00 1y7iA1 LEU 181 HD23 0.18 0.02 -0.04 -0.04 0.89 1.01 1y7iA1 PHE 182 H -0.53 0.08 -0.12 -0.55 8.34 7.22 1y7iA1 PHE 182 HA 0.03 0.12 0.17 -0.75 4.62 4.19 1y7iA1 PHE 182 HB2 0.06 0.17 -0.16 -0.04 3.15 3.19 1y7iA1 PHE 182 HB3 0.05 -0.14 -0.02 -0.04 3.06 2.91 1y7iA1 PHE 182 HD2 0.04 0.07 -0.39 -0.04 7.28 6.96 1y7iA1 PHE 182 HE2 -0.30 0.09 -0.19 -0.04 7.38 6.94 1y7iA1 PHE 182 HZ -0.27 0.04 -0.10 -0.04 7.32 6.96 1y7iA1 GLU 184 HA 0.03 0.03 0.30 -0.75 4.29 3.90 1y7iA1 GLU 184 HB2 0.03 -0.08 0.03 -0.04 2.09 2.03 1y7iA1 GLU 184 HB3 0.02 0.05 -0.06 -0.04 1.99 1.96 1y7iA1 GLU 184 HG2 -0.03 0.21 0.02 -0.04 2.34 2.51 1y7iA1 GLU 184 HG3 -0.01 -0.02 0.04 -0.04 2.34 2.31 1y7iA1 ASP 185 H 0.11 0.14 -0.42 -0.55 8.40 7.68 1y7iA1 ASP 185 HA 0.11 0.06 0.34 -0.75 4.63 4.39 1y7iA1 ASP 185 HB2 0.11 0.15 0.17 -0.04 2.71 3.10 1y7iA1 ASP 185 HB3 0.16 0.04 0.16 -0.04 2.70 3.02 1y7iA1 LEU 186 H 0.16 0.62 0.19 -0.55 8.37 8.80 1y7iA1 LEU 186 HA 0.28 -0.01 0.41 -0.75 4.35 4.29 1y7iA1 LEU 186 HB2 0.15 0.09 -0.00 -0.04 1.64 1.84 1y7iA1 LEU 186 HB3 0.17 -0.13 -0.24 -0.04 1.64 1.40 1y7iA1 LEU 186 HG 0.17 -0.04 0.10 -0.04 1.64 1.83 1y7iA1 LEU 186 HD13 0.21 0.04 0.06 -0.04 0.93 1.19 1y7iA1 LEU 186 HD23 0.17 0.00 -0.02 -0.04 0.89 0.99 1y7iA1 SER 187 H 0.10 0.27 -0.46 -0.55 8.46 7.82 1y7iA1 SER 187 HA 0.07 -0.06 0.76 -0.75 4.49 4.50 1y7iA1 SER 187 HB2 0.05 -0.03 0.10 -0.04 3.95 4.03 1y7iA1 SER 187 HB3 0.07 -0.07 -0.01 -0.04 3.93 3.87 1y7iA1 LYS 188 H 0.00 -0.07 0.02 -0.55 8.42 7.82 1y7iA1 LYS 188 HA -0.01 0.03 0.44 -0.75 4.32 4.02 1y7iA1 LYS 188 HB2 -0.00 -0.09 0.17 -0.04 1.87 1.91 1y7iA1 LYS 188 HB3 0.03 0.25 -0.16 -0.04 1.79 1.87 1y7iA1 LYS 188 HG2 0.11 0.50 -0.04 -0.04 1.46 1.99 1y7iA1 LYS 188 HG3 -0.01 -0.11 -0.30 -0.04 1.46 1.00 1y7iA1 LYS 188 HD2 0.11 -0.09 -0.03 -0.04 1.69 1.65 1y7iA1 LYS 188 HD3 0.03 -0.07 -0.02 -0.04 1.68 1.58 1y7iA1 LYS 188 HE2 0.04 0.07 -0.13 -0.04 2.99 2.93 1y7iA1 LYS 188 HE3 0.09 -0.03 -0.14 -0.04 2.99 2.87 1y7iA1 ALA 189 H -0.14 0.08 0.32 -0.55 8.40 8.11 1y7iA1 ALA 189 HA -0.24 0.14 0.53 -0.75 4.34 4.02 1y7iA1 ALA 189 HB3 -0.78 0.05 -0.03 -0.04 1.41 0.61 1y7iA1 LYS 190 H -0.33 0.26 0.05 -0.55 8.42 7.84 1y7iA1 LYS 190 HA -0.21 0.08 0.94 -0.75 4.32 4.38 1y7iA1 LYS 190 HB2 -0.11 -0.04 -0.08 -0.04 1.87 1.60 1y7iA1 LYS 190 HB3 -0.13 -0.01 0.16 -0.04 1.79 1.77 1y7iA1 LYS 190 HG2 -0.06 0.13 0.06 -0.04 1.46 1.54 1y7iA1 LYS 190 HG3 -0.05 0.14 -0.03 -0.04 1.46 1.48 1y7iA1 LYS 190 HD2 -0.06 0.05 -0.24 -0.04 1.69 1.40 1y7iA1 LYS 190 HD3 -0.06 -0.10 -0.02 -0.04 1.68 1.45 1y7iA1 LYS 190 HE2 -0.01 0.06 -0.33 -0.04 2.99 2.67 1y7iA1 LYS 190 HE3 -0.04 -0.04 0.02 -0.04 2.99 2.89 1y7iA1 TYR 191 H -0.56 0.17 -0.12 -0.55 8.29 7.23 1y7iA1 TYR 191 HA -0.19 0.06 0.33 -0.75 4.56 4.00 1y7iA1 TYR 191 HB2 -1.06 0.01 0.01 -0.04 3.06 1.98 1y7iA1 TYR 191 HB3 -0.33 0.07 0.04 -0.04 2.98 2.72 1y7iA1 TYR 191 HD2 -0.22 0.03 0.03 -0.04 7.15 6.95 1y7iA1 TYR 191 HE2 -0.06 0.08 -0.02 -0.04 6.85 6.81 1y7iA1 PHE 192 H -0.32 0.01 -0.49 -0.55 8.34 6.99 1y7iA1 PHE 192 HA -0.01 0.21 0.97 -0.75 4.62 5.03 1y7iA1 PHE 192 HB2 -0.34 0.09 -0.05 -0.04 3.15 2.82 1y7iA1 PHE 192 HB3 -0.82 0.04 -0.12 -0.04 3.06 2.13 1y7iA1 PHE 192 HD2 -0.11 0.17 -0.14 -0.04 7.28 7.16 1y7iA1 PHE 192 HE2 0.05 0.03 -0.20 -0.04 7.38 7.22 1y7iA1 PHE 192 HZ 0.07 -0.00 -0.10 -0.04 7.32 7.25 1y7iA1 THR 193 H 0.24 0.17 0.27 -0.55 8.28 8.40 1y7iA1 THR 193 HA 0.09 0.32 1.03 -0.75 4.39 5.08 1y7iA1 THR 193 HB 0.06 -0.07 0.16 -0.04 4.32 4.43 1y7iA1 THR 193 HG23 0.04 0.06 -0.11 -0.04 1.22 1.16 1y7iA1 ASP 194 H 0.08 0.28 0.21 -0.55 8.40 8.43 1y7iA1 ASP 194 HA 0.16 0.05 0.43 -0.75 4.63 4.52 1y7iA1 ASP 194 HB2 0.07 0.07 0.13 -0.04 2.71 2.94 1y7iA1 ASP 194 HB3 0.05 -0.02 0.07 -0.04 2.70 2.76 1y7iA1 GLU 195 H 0.07 -0.03 -0.29 -0.55 8.60 7.80 1y7iA1 GLU 195 HA 0.04 0.13 0.40 -0.75 4.29 4.10 1y7iA1 GLU 195 HB2 0.03 -0.04 0.08 -0.04 2.09 2.12 1y7iA1 GLU 195 HB3 0.05 -0.05 0.07 -0.04 1.99 2.01 1y7iA1 GLU 195 HG2 0.02 -0.02 -0.02 -0.04 2.34 2.28 1y7iA1 GLU 195 HG3 0.02 0.08 -0.17 -0.04 2.34 2.24 1y7iA1 ARG 196 H 0.10 -0.05 -0.12 -0.55 8.46 7.85 1y7iA1 ARG 196 HA 0.05 0.21 0.76 -0.75 4.34 4.60 1y7iA1 ARG 196 HB2 0.12 -0.17 0.27 -0.04 1.90 2.09 1y7iA1 ARG 196 HB3 0.09 0.20 0.07 -0.04 1.80 2.12 1y7iA1 ARG 196 HG2 0.03 0.02 -0.02 -0.04 1.67 1.67 1y7iA1 ARG 196 HG3 0.04 -0.19 -0.07 -0.04 1.67 1.41 1y7iA1 ARG 196 HD2 0.04 -0.15 0.08 -0.04 3.22 3.15 1y7iA1 ARG 196 HD3 0.04 0.72 0.22 -0.04 3.22 4.15 1y7iA1 PHE 197 H 0.28 0.00 0.23 -0.55 8.34 8.31 1y7iA1 PHE 197 HA 0.05 0.20 0.39 -0.75 4.62 4.50 1y7iA1 PHE 197 HB2 0.16 0.06 0.21 -0.04 3.15 3.54 1y7iA1 PHE 197 HB3 0.13 0.02 0.15 -0.04 3.06 3.32 1y7iA1 PHE 197 HD2 -0.02 0.08 -0.15 -0.04 7.28 7.15 1y7iA1 PHE 197 HE2 -0.08 -0.05 -0.13 -0.04 7.38 7.09 1y7iA1 PHE 197 HZ -0.10 0.22 -0.15 -0.04 7.32 7.24 1y7iA1 GLY 198 H 0.23 0.24 -0.11 -0.55 8.43 8.25 1y7iA1 GLY 198 HA2 -0.12 0.05 0.30 -0.51 4.01 3.73 1y7iA1 GLY 198 HA3 0.07 -0.08 0.30 -0.51 4.01 3.79 1y7iA1 SER 199 H -0.01 0.30 -0.78 -0.55 8.46 7.42 1y7iA1 SER 199 HA -0.02 0.00 0.50 -0.75 4.49 4.21 1y7iA1 SER 199 HB2 -0.01 -0.14 0.09 -0.04 3.95 3.86 1y7iA1 SER 199 HB3 0.01 0.16 0.08 -0.04 3.93 4.14 1y7iA1 VAL 200 H -0.14 0.40 -0.27 -0.55 8.24 7.68 1y7iA1 VAL 200 HA -0.07 0.11 0.62 -0.75 4.13 4.04 1y7iA1 VAL 200 HB -0.21 0.05 0.05 -0.04 2.12 1.97 1y7iA1 VAL 200 HG13 -0.09 0.03 -0.14 -0.04 0.97 0.72 1y7iA1 VAL 200 HG23 -0.06 0.06 -0.04 -0.04 0.95 0.87 1y7iA1 LYS 201 H -0.06 0.21 0.15 -0.55 8.42 8.17 1y7iA1 LYS 201 HA -0.05 0.03 0.46 -0.75 4.32 4.00 1y7iA1 LYS 201 HB2 -0.12 0.17 0.25 -0.04 1.87 2.13 1y7iA1 LYS 201 HB3 -0.23 -0.07 -0.02 -0.04 1.79 1.42 1y7iA1 LYS 201 HG2 0.19 -0.02 0.06 -0.04 1.46 1.65 1y7iA1 LYS 201 HG3 0.07 -0.06 0.07 -0.04 1.46 1.50 1y7iA1 LYS 201 HD2 -0.00 0.05 -0.02 -0.04 1.69 1.68 1y7iA1 LYS 201 HD3 0.04 0.10 0.12 -0.04 1.68 1.89 1y7iA1 LYS 201 HE2 0.03 0.03 0.04 -0.04 2.99 3.06 1y7iA1 LYS 201 HE3 0.08 -0.06 0.04 -0.04 2.99 3.01 1y7iA1 ARG 202 H -0.04 0.07 0.26 -0.55 8.46 8.19 1y7iA1 ARG 202 HA 0.07 0.35 1.07 -0.75 4.34 5.07 1y7iA1 ARG 202 HB2 -0.03 -0.17 0.22 -0.04 1.90 1.87 1y7iA1 ARG 202 HB3 0.00 -0.01 0.02 -0.04 1.80 1.76 1y7iA1 ARG 202 HG2 -0.01 0.06 -0.13 -0.04 1.67 1.54 1y7iA1 ARG 202 HG3 -0.14 0.15 -0.02 -0.04 1.67 1.62 1y7iA1 ARG 202 HD2 -0.31 -0.06 -0.05 -0.04 3.22 2.76 1y7iA1 ARG 202 HD3 -0.27 0.02 -0.06 -0.04 3.22 2.87 1y7iA1 VAL 203 H 0.14 0.70 0.35 -0.55 8.24 8.88 1y7iA1 VAL 203 HA 0.08 0.23 1.03 -0.75 4.13 4.71 1y7iA1 VAL 203 HB -0.02 -0.02 0.04 -0.04 2.12 2.08 1y7iA1 VAL 203 HG13 0.08 -0.02 -0.21 -0.04 0.97 0.78 1y7iA1 VAL 203 HG23 -0.19 0.01 -0.26 -0.04 0.95 0.46 1y7iA1 TYR 204 H 0.19 0.51 0.33 -0.55 8.29 8.78 1y7iA1 TYR 204 HA 0.16 0.23 1.15 -0.75 4.56 5.35 1y7iA1 TYR 204 HB2 -0.00 0.03 -0.01 -0.04 3.06 3.04 1y7iA1 TYR 204 HB3 0.02 -0.09 0.14 -0.04 2.98 3.01 1y7iA1 TYR 204 HD2 -0.02 -0.03 -0.33 -0.04 7.15 6.73 1y7iA1 TYR 204 HE2 0.05 -0.02 -0.09 -0.04 6.85 6.75 1y7iA1 ILE 205 H -0.21 0.73 0.24 -0.55 8.25 8.46 1y7iA1 ILE 205 HA 0.10 0.22 0.84 -0.75 4.18 4.59 1y7iA1 ILE 205 HB -0.04 -0.06 0.07 -0.04 1.89 1.81 1y7iA1 ILE 205 HG12 0.04 0.01 -0.23 -0.04 1.49 1.26 1y7iA1 ILE 205 HG13 0.01 0.00 -0.37 -0.04 1.21 0.81 1y7iA1 ILE 205 HG23 0.01 -0.01 -0.28 -0.04 0.93 0.61 1y7iA1 ILE 205 HD13 -0.00 0.01 -0.18 -0.04 0.88 0.66 1y7iA1 VAL 206 H 0.17 0.92 0.44 -0.55 8.24 9.22 1y7iA1 VAL 206 HA 0.31 0.07 0.68 -0.75 4.13 4.44 1y7iA1 VAL 206 HB 0.10 -0.06 0.15 -0.04 2.12 2.27 1y7iA1 VAL 206 HG13 0.09 -0.02 -0.20 -0.04 0.97 0.79 1y7iA1 VAL 206 HG23 0.14 0.04 -0.08 -0.04 0.95 1.00 1y7iA1 CYS 207 H 0.11 0.24 0.15 -0.55 8.50 8.46 1y7iA1 CYS 207 HA 0.03 0.16 0.93 -0.75 4.58 4.95 1y7iA1 CYS 207 HB2 0.04 -0.06 0.11 -0.04 2.97 3.01 1y7iA1 CYS 207 HB3 -0.00 0.24 -0.13 -0.04 2.97 3.04 1y7iA1 THR 208 H 0.03 0.31 0.10 -0.55 8.28 8.16 1y7iA1 THR 208 HA 0.04 0.03 0.36 -0.75 4.39 4.06 1y7iA1 THR 208 HB 0.02 0.04 0.06 -0.04 4.32 4.40 1y7iA1 THR 208 HG23 0.03 0.03 -0.05 -0.04 1.22 1.19 1y7iA1 GLU 209 H 0.01 0.42 -0.21 -0.55 8.60 8.27 1y7iA1 GLU 209 HA 0.01 0.16 0.67 -0.75 4.29 4.38 1y7iA1 GLU 209 HB2 -0.00 0.06 -0.77 -0.04 2.09 1.34 1y7iA1 GLU 209 HB3 -0.00 -0.02 -0.05 -0.04 1.99 1.88 1y7iA1 GLU 209 HG2 0.00 -0.27 -0.19 -0.04 2.34 1.85 1y7iA1 GLU 209 HG3 -0.00 0.13 -0.14 -0.04 2.34 2.28 1y7iA1 ASP 210 H 0.03 0.41 -0.38 -0.55 8.40 7.91 1y7iA1 ASP 210 HA 0.02 -0.21 0.39 -0.75 4.63 4.08 1y7iA1 ASP 210 HB2 0.07 0.14 0.07 -0.04 2.71 2.95 1y7iA1 ASP 210 HB3 0.07 0.08 0.08 -0.04 2.70 2.88 1y7iA1 LYS 211 H -0.06 0.09 0.29 -0.55 8.42 8.19 1y7iA1 LYS 211 HA -0.05 0.15 0.86 -0.75 4.32 4.52 1y7iA1 LYS 211 HB2 -0.11 0.08 0.18 -0.04 1.87 1.99 1y7iA1 LYS 211 HB3 -0.11 0.00 0.18 -0.04 1.79 1.82 1y7iA1 LYS 211 HG2 -0.04 -0.04 -0.01 -0.04 1.46 1.33 1y7iA1 LYS 211 HG3 -0.03 0.08 -0.06 -0.04 1.46 1.41 1y7iA1 LYS 211 HD2 -0.03 0.10 0.08 -0.04 1.69 1.80 1y7iA1 LYS 211 HD3 -0.04 -0.01 0.09 -0.04 1.68 1.68 1y7iA1 LYS 211 HE2 -0.02 -0.04 0.01 -0.04 2.99 2.90 1y7iA1 LYS 211 HE3 -0.01 -0.02 -0.00 -0.04 2.99 2.92 1y7iA1 GLY 212 H -0.19 -0.08 0.14 -0.55 8.43 7.76 1y7iA1 GLY 212 HA2 -0.32 0.12 0.57 -0.51 4.01 3.88 1y7iA1 GLY 212 HA3 -0.48 -0.04 0.29 -0.51 4.01 3.26 1y7iA1 ILE 213 H -0.11 0.05 -0.14 -0.55 8.25 7.50 1y7iA1 ILE 213 HA 0.07 0.21 0.67 -0.75 4.18 4.38 1y7iA1 ILE 213 HB 0.00 -0.02 0.13 -0.04 1.89 1.96 1y7iA1 ILE 213 HG12 -0.63 0.06 -0.12 -0.04 1.49 0.76 1y7iA1 ILE 213 HG13 -0.32 -0.12 -0.32 -0.04 1.21 0.41 1y7iA1 ILE 213 HG23 0.04 0.02 -0.18 -0.04 0.93 0.77 1y7iA1 ILE 213 HD13 -0.57 0.02 -0.07 -0.04 0.88 0.22 1y7iA1 PRO 214 HA 0.05 0.39 0.42 -0.51 4.44 4.78 1y7iA1 PRO 214 HB2 0.06 -0.19 0.04 -0.04 2.28 2.16 1y7iA1 PRO 214 HB3 0.02 0.16 0.09 -0.04 2.02 2.25 1y7iA1 PRO 214 HG2 0.15 -0.17 0.04 -0.04 2.03 2.01 1y7iA1 PRO 214 HG3 0.01 0.14 0.02 -0.04 2.03 2.16 1y7iA1 PRO 214 HD2 0.17 0.12 0.09 -0.04 3.68 4.02 1y7iA1 PRO 214 HD3 0.02 0.35 -0.25 -0.04 3.65 3.73 1y7iA1 GLU 215 H 0.06 0.34 0.21 -0.55 8.60 8.66 1y7iA1 GLU 215 HA 0.09 0.05 0.41 -0.75 4.29 4.09 1y7iA1 GLU 215 HB2 0.05 0.14 0.16 -0.04 2.09 2.40 1y7iA1 GLU 215 HB3 0.05 0.02 0.16 -0.04 1.99 2.17 1y7iA1 GLU 215 HG2 0.04 -0.02 -0.25 -0.04 2.34 2.08 1y7iA1 GLU 215 HG3 0.05 -0.05 -0.01 -0.04 2.34 2.29 1y7iA1 GLU 216 H 0.08 0.12 -0.30 -0.55 8.60 7.95 1y7iA1 GLU 216 HA 0.07 0.06 0.34 -0.75 4.29 4.01 1y7iA1 GLU 216 HB2 0.10 0.07 -0.06 -0.04 2.09 2.16 1y7iA1 GLU 216 HB3 0.07 0.04 0.03 -0.04 1.99 2.08 1y7iA1 GLU 216 HG2 0.04 0.01 0.03 -0.04 2.34 2.39 1y7iA1 GLU 216 HG3 0.06 -0.10 0.03 -0.04 2.34 2.29 1y7iA1 PHE 217 H 0.25 0.25 -0.29 -0.55 8.34 8.00 1y7iA1 PHE 217 HA 0.13 0.05 0.42 -0.75 4.62 4.47 1y7iA1 PHE 217 HB2 0.08 -0.01 0.02 -0.04 3.15 3.20 1y7iA1 PHE 217 HB3 0.13 0.13 -0.06 -0.04 3.06 3.22 1y7iA1 PHE 217 HD2 0.00 0.02 -0.16 -0.04 7.28 7.10 1y7iA1 PHE 217 HE2 0.00 -0.02 -0.15 -0.04 7.38 7.18 1y7iA1 PHE 217 HZ 0.16 0.15 0.04 -0.04 7.32 7.63 1y7iA1 GLN 218 H 0.18 0.44 -0.18 -0.55 8.47 8.36 1y7iA1 GLN 218 HA -0.03 0.09 0.39 -0.75 4.36 4.06 1y7iA1 GLN 218 HB2 0.08 0.03 0.14 -0.04 2.15 2.36 1y7iA1 GLN 218 HB3 0.04 -0.05 0.01 -0.04 2.02 1.97 1y7iA1 GLN 218 HG2 0.33 0.02 -0.03 -0.04 2.40 2.68 1y7iA1 GLN 218 HG3 0.20 0.15 -0.15 -0.04 2.39 2.55 1y7iA1 GLN 218 HE21 0.11 0.00 0.13 -0.04 6.97 7.17 1y7iA1 GLN 218 HE22 0.13 0.65 -0.03 -0.04 7.69 8.40 1y7iA1 ARG 219 H 0.01 0.72 -0.16 -0.55 8.46 8.48 1y7iA1 ARG 219 HA -0.14 -0.00 0.37 -0.75 4.34 3.82 1y7iA1 ARG 219 HB2 0.03 0.14 0.13 -0.04 1.90 2.16 1y7iA1 ARG 219 HB3 -0.01 -0.05 -0.00 -0.04 1.80 1.69 1y7iA1 ARG 219 HG2 0.01 0.09 0.02 -0.04 1.67 1.75 1y7iA1 ARG 219 HG3 0.01 -0.04 -0.03 -0.04 1.67 1.56 1y7iA1 ARG 219 HD2 -0.02 0.00 -0.02 -0.04 3.22 3.14 1y7iA1 ARG 219 HD3 -0.06 -0.01 -0.02 -0.04 3.22 3.08 1y7iA1 TRP 220 H 0.12 0.42 -0.24 -0.55 7.97 7.72 1y7iA1 TRP 220 HA -0.12 -0.01 0.36 -0.75 4.62 4.10 1y7iA1 TRP 220 HB2 -0.10 0.03 0.10 -0.04 3.23 3.22 1y7iA1 TRP 220 HB3 -0.39 0.13 0.13 -0.04 3.23 3.06 1y7iA1 TRP 220 HD1 -0.03 -0.02 -0.02 -0.04 7.22 7.12 1y7iA1 TRP 220 HE1 0.00 -0.01 -0.04 -0.04 10.20 10.11 1y7iA1 TRP 220 HE3 -0.74 0.12 -0.25 -0.04 7.59 6.68 1y7iA1 TRP 220 HZ2 -0.01 -0.01 -0.05 -0.04 7.44 7.33 1y7iA1 TRP 220 HZ3 -0.27 -0.03 -0.09 -0.04 7.13 6.70 1y7iA1 TRP 220 HH2 -0.69 -0.02 -0.10 -0.04 7.19 6.33 1y7iA1 GLN 221 H -0.15 0.51 -0.32 -0.55 8.47 7.96 1y7iA1 GLN 221 HA -0.40 -0.01 0.38 -0.75 4.36 3.57 1y7iA1 GLN 221 HB2 -0.30 0.19 0.13 -0.04 2.15 2.13 1y7iA1 GLN 221 HB3 -0.13 -0.02 -0.05 -0.04 2.02 1.78 1y7iA1 GLN 221 HG2 0.09 -0.09 -0.00 -0.04 2.40 2.35 1y7iA1 GLN 221 HG3 -0.39 0.14 0.02 -0.04 2.39 2.13 1y7iA1 GLN 221 HE21 0.35 0.46 0.13 -0.04 6.97 7.86 1y7iA1 GLN 221 HE22 0.11 -0.04 -0.08 -0.04 7.69 7.64 1y7iA1 ILE 222 H -0.33 0.40 -0.18 -0.55 8.25 7.59 1y7iA1 ILE 222 HA -0.22 0.05 0.35 -0.75 4.18 3.61 1y7iA1 ILE 222 HB -0.20 0.09 0.17 -0.04 1.89 1.91 1y7iA1 ILE 222 HG12 -0.28 -0.02 -0.04 -0.04 1.49 1.11 1y7iA1 ILE 222 HG13 -0.66 0.15 0.02 -0.04 1.21 0.69 1y7iA1 ILE 222 HG23 -0.10 -0.02 -0.13 -0.04 0.93 0.64 1y7iA1 ILE 222 HD13 -0.20 -0.04 -0.08 -0.04 0.88 0.53 1y7iA1 ASP 223 H -0.23 0.68 -0.05 -0.55 8.40 8.25 1y7iA1 ASP 223 HA -0.15 0.00 0.32 -0.75 4.63 4.05 1y7iA1 ASP 223 HB2 -0.26 0.06 0.09 -0.04 2.71 2.56 1y7iA1 ASP 223 HB3 -0.16 -0.05 0.01 -0.04 2.70 2.46 1y7iA1 ASN 224 H -0.57 0.44 -0.32 -0.55 8.53 7.53 1y7iA1 ASN 224 HA -0.29 0.17 0.92 -0.75 4.76 4.81 1y7iA1 ASN 224 HB2 -1.42 0.10 0.05 -0.04 2.88 1.57 1y7iA1 ASN 224 HB3 -0.51 -0.09 0.05 -0.04 2.79 2.19 1y7iA1 ASN 224 HD21 -0.08 -0.05 -0.04 -0.04 7.03 6.81 1y7iA1 ASN 224 HD22 -0.14 -0.02 0.01 -0.04 7.74 7.54 1y7iA1 ILE 225 H -0.24 0.39 -0.05 -0.55 8.25 7.80 1y7iA1 ILE 225 HA -0.04 0.14 1.11 -0.75 4.18 4.63 1y7iA1 ILE 225 HB 0.04 -0.13 0.07 -0.04 1.89 1.83 1y7iA1 ILE 225 HG12 -0.10 -0.08 -0.08 -0.04 1.49 1.19 1y7iA1 ILE 225 HG13 -0.10 0.12 -0.15 -0.04 1.21 1.04 1y7iA1 ILE 225 HG23 -0.05 0.01 -0.14 -0.04 0.93 0.71 1y7iA1 ILE 225 HD13 -0.03 0.00 -0.07 -0.04 0.88 0.74 1y7iA1 GLY 226 H -0.13 0.34 0.10 -0.55 8.43 8.20 1y7iA1 GLY 226 HA2 -0.07 -0.00 0.39 -0.51 4.01 3.82 1y7iA1 GLY 226 HA3 -0.05 0.11 0.59 -0.51 4.01 4.16 1y7iA1 VAL 227 H -0.03 0.23 0.16 -0.55 8.24 8.05 1y7iA1 VAL 227 HA -0.03 0.20 0.71 -0.75 4.13 4.26 1y7iA1 VAL 227 HB -0.02 0.04 -0.27 -0.04 2.12 1.83 1y7iA1 VAL 227 HG13 0.01 -0.03 -0.31 -0.04 0.97 0.59 1y7iA1 VAL 227 HG23 0.07 -0.10 -0.08 -0.04 0.95 0.79 1y7iA1 THR 228 H 0.02 0.49 0.35 -0.55 8.28 8.59 1y7iA1 THR 228 HA 0.04 0.06 0.56 -0.75 4.39 4.30 1y7iA1 THR 228 HB 0.06 0.18 0.17 -0.04 4.32 4.68 1y7iA1 THR 228 HG23 0.24 -0.01 -0.04 -0.04 1.22 1.36 1y7iA1 GLU 229 H 0.07 0.38 0.18 -0.55 8.60 8.69 1y7iA1 GLU 229 HA 0.07 0.10 0.67 -0.75 4.29 4.37 1y7iA1 GLU 229 HB2 0.16 0.11 -0.16 -0.04 2.09 2.16 1y7iA1 GLU 229 HB3 0.20 -0.02 -0.02 -0.04 1.99 2.11 1y7iA1 GLU 229 HG2 0.14 -0.01 -0.13 -0.04 2.34 2.30 1y7iA1 GLU 229 HG3 0.10 -0.05 -0.44 -0.04 2.34 1.91 1y7iA1 ALA 230 H 0.05 0.22 0.13 -0.55 8.40 8.25 1y7iA1 ALA 230 HA 0.11 0.17 1.01 -0.75 4.34 4.88 1y7iA1 ALA 230 HB3 0.03 -0.00 0.05 -0.04 1.41 1.44 1y7iA1 ILE 231 H 0.13 0.91 0.43 -0.55 8.25 9.17 1y7iA1 ILE 231 HA 0.06 0.15 0.91 -0.75 4.18 4.55 1y7iA1 ILE 231 HB 0.07 0.01 -0.04 -0.04 1.89 1.90 1y7iA1 ILE 231 HG12 0.09 -0.04 -0.44 -0.04 1.49 1.06 1y7iA1 ILE 231 HG13 0.07 0.03 -0.14 -0.04 1.21 1.13 1y7iA1 ILE 231 HG23 0.04 -0.00 -0.03 -0.04 0.93 0.90 1y7iA1 ILE 231 HD13 0.05 0.07 -0.05 -0.04 0.88 0.91 1y7iA1 GLU 232 H 0.04 0.26 0.22 -0.55 8.60 8.58 1y7iA1 GLU 232 HA 0.07 0.17 0.92 -0.75 4.29 4.70 1y7iA1 GLU 232 HB2 0.04 -0.03 0.02 -0.04 2.09 2.09 1y7iA1 GLU 232 HB3 0.05 0.03 -0.11 -0.04 1.99 1.93 1y7iA1 GLU 232 HG2 0.03 0.02 -0.01 -0.04 2.34 2.34 1y7iA1 GLU 232 HG3 0.03 -0.03 -0.14 -0.04 2.34 2.15 1y7iA1 ILE 233 H 0.03 0.72 0.25 -0.55 8.25 8.70 1y7iA1 ILE 233 HA 0.01 0.16 0.82 -0.75 4.18 4.41 1y7iA1 ILE 233 HB -0.00 -0.00 0.17 -0.04 1.89 2.01 1y7iA1 ILE 233 HG12 -0.00 0.06 -0.13 -0.04 1.49 1.38 1y7iA1 ILE 233 HG13 0.01 -0.06 -0.40 -0.04 1.21 0.72 1y7iA1 ILE 233 HG23 -0.01 -0.00 -0.11 -0.04 0.93 0.76 1y7iA1 ILE 233 HD13 -0.02 0.02 -0.12 -0.04 0.88 0.71 1y7iA1 LYS 234 H 0.01 0.22 0.04 -0.55 8.42 8.13 1y7iA1 LYS 234 HA 0.01 -0.04 0.58 -0.75 4.32 4.12 1y7iA1 LYS 234 HB2 0.01 0.03 0.11 -0.04 1.87 1.97 1y7iA1 LYS 234 HB3 0.01 0.05 0.04 -0.04 1.79 1.84 1y7iA1 LYS 234 HG2 0.01 0.04 -0.01 -0.04 1.46 1.45 1y7iA1 LYS 234 HG3 0.01 -0.03 0.02 -0.04 1.46 1.42 1y7iA1 LYS 234 HD2 0.02 -0.07 -0.01 -0.04 1.69 1.58 1y7iA1 LYS 234 HD3 0.01 0.03 -0.02 -0.04 1.68 1.67 1y7iA1 LYS 234 HE2 0.01 0.02 -0.02 -0.04 2.99 2.97 1y7iA1 LYS 234 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 1y7iA1 GLY 235 H 0.01 0.09 0.16 -0.55 8.43 8.14 1y7iA1 GLY 235 HA2 -0.00 0.02 0.30 -0.51 4.01 3.82 1y7iA1 GLY 235 HA3 -0.00 0.19 0.64 -0.51 4.01 4.33 1y7iA1 ALA 236 H -0.01 0.22 -0.30 -0.55 8.40 7.77 1y7iA1 ALA 236 HA -0.03 0.13 0.60 -0.75 4.34 4.29 1y7iA1 ALA 236 HB3 -0.03 0.04 -0.01 -0.04 1.41 1.36 1y7iA1 ASP 237 H -0.04 0.11 0.04 -0.55 8.40 7.95 1y7iA1 ASP 237 HA -0.01 0.12 0.02 -0.75 4.63 4.01 1y7iA1 ASP 237 HB2 -0.03 -0.09 0.01 -0.04 2.71 2.57 1y7iA1 ASP 237 HB3 -0.02 0.05 -0.05 -0.04 2.70 2.64 1y7iA1 HIS 238 H 0.03 0.10 0.09 -0.55 8.41 8.09 1y7iA1 HIS 238 HA -0.04 0.07 0.23 -0.75 4.63 4.14 1y7iA1 HIS 238 HB2 -0.12 -0.17 0.31 -0.04 3.26 3.25 1y7iA1 HIS 238 HB3 -0.15 0.20 0.32 -0.04 3.20 3.52 1y7iA1 HIS 238 HD2 -0.10 0.01 0.06 -0.04 6.97 6.89 1y7iA1 HIS 238 HE1 -0.29 0.09 0.12 -0.04 7.75 7.62 1y7iA1 ALA 240 HA -0.13 -0.15 0.04 -0.75 4.34 3.35 1y7iA1 ALA 240 HB3 -0.11 0.02 -0.05 -0.04 1.41 1.23 1y7iA1 LEU 242 HA -0.14 -0.06 0.34 -0.75 4.35 3.74 1y7iA1 LEU 242 HB2 -0.17 -0.01 0.01 -0.04 1.64 1.43 1y7iA1 LEU 242 HB3 -0.01 -0.08 0.02 -0.04 1.64 1.53 1y7iA1 LEU 242 HG -0.23 0.06 0.10 -0.04 1.64 1.54 1y7iA1 LEU 242 HD13 0.05 -0.01 -0.00 -0.04 0.93 0.93 1y7iA1 LEU 242 HD23 0.02 -0.01 0.08 -0.04 0.89 0.94 1y7iA1 CYS 243 H -0.12 0.17 -0.54 -0.55 8.50 7.46 1y7iA1 CYS 243 HA -0.04 0.16 0.87 -0.75 4.58 4.82 1y7iA1 CYS 243 HB2 -0.03 0.09 0.05 -0.04 2.97 3.03 1y7iA1 CYS 243 HB3 -0.05 -0.05 -0.12 -0.04 2.97 2.71 1y7iA1 GLU 244 H -0.08 0.54 -0.08 -0.55 8.60 8.43 1y7iA1 GLU 244 HA -0.04 0.13 0.75 -0.75 4.29 4.38 1y7iA1 GLU 244 HB2 -0.05 0.05 0.10 -0.04 2.09 2.15 1y7iA1 GLU 244 HB3 -0.03 -0.14 0.13 -0.04 1.99 1.91 1y7iA1 GLU 244 HG2 -0.04 -0.08 -0.56 -0.04 2.34 1.61 1y7iA1 GLU 244 HG3 -0.03 -0.05 -0.23 -0.04 2.34 2.00 1y7iA1 PRO 245 HA -0.06 0.10 0.36 -0.51 4.44 4.33 1y7iA1 PRO 245 HB2 -0.07 0.11 -0.19 -0.04 2.28 2.10 1y7iA1 PRO 245 HB3 -0.09 0.03 -0.11 -0.04 2.02 1.80 1y7iA1 PRO 245 HG2 -0.05 -0.11 0.04 -0.04 2.03 1.87 1y7iA1 PRO 245 HG3 -0.08 0.10 -0.02 -0.04 2.03 1.99 1y7iA1 PRO 245 HD2 -0.05 0.17 -0.20 -0.04 3.68 3.55 1y7iA1 PRO 245 HD3 -0.08 0.19 -0.26 -0.04 3.65 3.46 1y7iA1 GLN 246 H -0.04 0.18 -0.11 -0.55 8.47 7.96 1y7iA1 GLN 246 HA -0.03 0.10 0.39 -0.75 4.36 4.07 1y7iA1 GLN 246 HB2 -0.02 0.04 -0.05 -0.04 2.15 2.09 1y7iA1 GLN 246 HB3 -0.02 0.06 0.07 -0.04 2.02 2.09 1y7iA1 GLN 246 HG2 -0.02 -0.15 0.02 -0.04 2.40 2.21 1y7iA1 GLN 246 HG3 -0.02 0.06 0.01 -0.04 2.39 2.40 1y7iA1 GLN 246 HE21 -0.03 0.05 0.01 -0.04 6.97 6.96 1y7iA1 GLN 246 HE22 -0.02 0.02 0.02 -0.04 7.69 7.67 1y7iA1 LYS 247 H -0.03 0.12 -0.25 -0.55 8.42 7.70 1y7iA1 LYS 247 HA -0.02 0.05 0.39 -0.75 4.32 4.00 1y7iA1 LYS 247 HB2 -0.02 0.11 0.07 -0.04 1.87 1.99 1y7iA1 LYS 247 HB3 -0.01 0.01 0.02 -0.04 1.79 1.76 1y7iA1 LYS 247 HG2 -0.01 0.01 0.02 -0.04 1.46 1.44 1y7iA1 LYS 247 HG3 -0.02 -0.06 0.02 -0.04 1.46 1.37 1y7iA1 LYS 247 HD2 -0.01 0.04 0.01 -0.04 1.69 1.69 1y7iA1 LYS 247 HD3 -0.01 -0.02 0.03 -0.04 1.68 1.64 1y7iA1 LYS 247 HE2 -0.00 -0.02 0.01 -0.04 2.99 2.94 1y7iA1 LYS 247 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 1y7iA1 LEU 248 H -0.04 0.46 -0.23 -0.55 8.37 8.02 1y7iA1 LEU 248 HA -0.03 0.01 0.35 -0.75 4.35 3.93 1y7iA1 LEU 248 HB2 -0.04 0.20 0.11 -0.04 1.64 1.87 1y7iA1 LEU 248 HB3 -0.04 0.04 -0.00 -0.04 1.64 1.60 1y7iA1 LEU 248 HG -0.03 -0.02 -0.04 -0.04 1.64 1.52 1y7iA1 LEU 248 HD13 0.06 -0.00 -0.10 -0.04 0.93 0.84 1y7iA1 LEU 248 HD23 -0.02 -0.01 -0.07 -0.04 0.89 0.74 1y7iA1 CYS 249 H -0.05 0.67 -0.12 -0.55 8.50 8.45 1y7iA1 CYS 249 HA -0.14 0.00 0.33 -0.75 4.58 4.02 1y7iA1 CYS 249 HB2 -0.07 0.01 0.08 -0.04 2.97 2.94 1y7iA1 CYS 249 HB3 -0.05 0.15 0.18 -0.04 2.97 3.21 1y7iA1 ALA 250 H -0.03 0.58 -0.10 -0.55 8.40 8.30 1y7iA1 ALA 250 HA -0.01 0.02 0.35 -0.75 4.34 3.95 1y7iA1 ALA 250 HB3 -0.00 0.01 0.08 -0.04 1.41 1.46 1y7iA1 SER 251 H -0.01 0.50 -0.30 -0.55 8.46 8.11 1y7iA1 SER 251 HA 0.02 -0.01 0.43 -0.75 4.49 4.17 1y7iA1 SER 251 HB2 0.01 0.04 0.10 -0.04 3.95 4.05 1y7iA1 SER 251 HB3 -0.01 0.14 0.13 -0.04 3.93 4.15 1y7iA1 LEU 252 H -0.05 0.65 -0.07 -0.55 8.37 8.35 1y7iA1 LEU 252 HA 0.04 -0.01 0.34 -0.75 4.35 3.97 1y7iA1 LEU 252 HB2 -0.26 0.10 0.08 -0.04 1.64 1.52 1y7iA1 LEU 252 HB3 -0.26 -0.02 -0.04 -0.04 1.64 1.27 1y7iA1 LEU 252 HG -0.09 0.13 -0.02 -0.04 1.64 1.62 1y7iA1 LEU 252 HD13 -0.30 -0.03 -0.14 -0.04 0.93 0.42 1y7iA1 LEU 252 HD23 -0.00 -0.01 -0.10 -0.04 0.89 0.73 1y7iA1 LEU 253 H -0.01 0.50 -0.32 -0.55 8.37 8.00 1y7iA1 LEU 253 HA 0.08 0.05 0.41 -0.75 4.35 4.14 1y7iA1 LEU 253 HB2 0.03 0.12 0.14 -0.04 1.64 1.88 1y7iA1 LEU 253 HB3 0.06 -0.04 -0.00 -0.04 1.64 1.62 1y7iA1 LEU 253 HG -0.03 0.21 -0.05 -0.04 1.64 1.72 1y7iA1 LEU 253 HD13 0.02 -0.03 -0.07 -0.04 0.93 0.81 1y7iA1 LEU 253 HD23 0.12 -0.00 -0.02 -0.04 0.89 0.94 1y7iA1 GLU 254 H 0.06 0.45 -0.16 -0.55 8.60 8.41 1y7iA1 GLU 254 HA 0.13 0.03 0.44 -0.75 4.29 4.13 1y7iA1 GLU 254 HB2 0.06 0.09 0.08 -0.04 2.09 2.28 1y7iA1 GLU 254 HB3 0.06 -0.07 0.05 -0.04 1.99 1.99 1y7iA1 GLU 254 HG2 0.06 -0.05 0.04 -0.04 2.34 2.34 1y7iA1 GLU 254 HG3 0.04 0.28 0.14 -0.04 2.34 2.76 1y7iA1 ILE 255 H 0.10 0.42 -0.23 -0.55 8.25 7.99 1y7iA1 ILE 255 HA 0.28 -0.03 0.35 -0.75 4.18 4.03 1y7iA1 ILE 255 HB 0.12 0.16 0.06 -0.04 1.89 2.19 1y7iA1 ILE 255 HG12 0.17 -0.06 -0.08 -0.04 1.49 1.48 1y7iA1 ILE 255 HG13 0.10 0.22 0.00 -0.04 1.21 1.49 1y7iA1 ILE 255 HG23 0.02 -0.00 -0.20 -0.04 0.93 0.71 1y7iA1 ILE 255 HD13 0.04 -0.03 -0.18 -0.04 0.88 0.67 1y7iA1 ALA 256 H 0.12 0.41 -0.30 -0.55 8.40 8.08 1y7iA1 ALA 256 HA -0.09 0.08 0.34 -0.75 4.34 3.92 1y7iA1 ALA 256 HB3 -0.03 0.01 0.05 -0.04 1.41 1.39 1y7iA1 HIS 257 H 0.15 0.20 -0.45 -0.55 8.41 7.77 1y7iA1 HIS 257 HA -0.03 0.07 0.43 -0.75 4.63 4.35 1y7iA1 HIS 257 HB2 0.02 0.03 0.07 -0.04 3.26 3.34 1y7iA1 HIS 257 HB3 -0.00 0.02 0.19 -0.04 3.20 3.36 1y7iA1 HIS 257 HD2 -0.03 0.05 -0.00 -0.04 6.97 6.94 1y7iA1 HIS 257 HE1 -0.02 -0.07 -0.04 -0.04 7.75 7.58 1y7iA1 LYS 258 H -0.04 0.77 0.06 -0.55 8.42 8.66 1y7iA1 LYS 258 HA -0.38 -0.06 0.34 -0.75 4.32 3.46 1y7iA1 LYS 258 HB2 -0.29 0.05 0.14 -0.04 1.87 1.72 1y7iA1 LYS 258 HB3 -0.67 -0.06 -0.05 -0.04 1.79 0.98 1y7iA1 LYS 258 HG2 -0.24 -0.07 0.02 -0.04 1.46 1.13 1y7iA1 LYS 258 HG3 -0.12 0.11 0.05 -0.04 1.46 1.46 1y7iA1 LYS 258 HD2 -0.07 -0.00 -0.10 -0.04 1.69 1.48 1y7iA1 LYS 258 HD3 -0.24 -0.01 -0.04 -0.04 1.68 1.35 1y7iA1 LYS 258 HE2 -0.08 -0.03 -0.02 -0.04 2.99 2.82 1y7iA1 LYS 258 HE3 -0.03 -0.02 -0.04 -0.04 2.99 2.86 1y7iA1 TYR 259 H 0.05 0.42 -0.12 -0.55 8.29 8.09 1y7iA1 TYR 259 HA -0.04 -0.03 0.61 -0.75 4.56 4.35 1y7iA1 TYR 259 HB2 -0.04 0.08 0.09 -0.04 3.06 3.15 1y7iA1 TYR 259 HB3 0.01 0.07 0.04 -0.04 2.98 3.06 1y7iA1 TYR 259 HD2 -0.01 0.27 0.08 -0.04 7.15 7.44 1y7iA1 TYR 259 HE2 -0.00 -0.06 -0.06 -0.04 6.85 6.69 1y7iA1 ASN 260 H -0.01 0.14 0.13 -0.55 8.53 8.24 1y7iA1 ASN 260 HA -0.01 -0.04 0.19 -0.75 4.76 4.15 1y7iA1 ASN 260 HB2 0.01 0.18 -0.14 -0.04 2.88 2.90 1y7iA1 ASN 260 HB3 0.11 -0.04 0.06 -0.04 2.79 2.89 1y7iA1 ASN 260 HD21 0.10 -0.03 0.01 -0.04 7.03 7.07 1y7iA1 ASN 260 HD22 0.15 -0.02 0.02 -0.04 7.74 7.85