============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. TYR 2 0.840 -186.068 2.962 -68.663 -99.200 -91.000 HIS 10 0.900 -158.667 6.729 -70.429 -99.200 -91.000 PHE 50 1.000 -204.659 10.641-100.558 -99.200 -91.000 TYR 58 0.840 -217.908 8.137 -99.386 -99.200 -91.000 TYR 60 0.840 -217.763 15.833-106.923 -99.200 -91.000 TYR 85 0.840 -250.443 5.552-123.703 -99.200 -91.000 HIS 92 0.900 -259.450 3.828-126.709 -99.200 -91.000 TYR 93 0.840 -255.741 0.106-133.876 -99.200 -91.000 TYR 95 0.840 -265.165 1.751-130.303 -99.200 -91.000 HIS 119 0.900 -288.443 0.903-153.467 -99.200 -91.000 TYR 135 0.840 -308.785 -4.172-162.364 -99.200 -91.000 TYR 158 0.840 -343.156 -17.443-145.788 -99.200 -91.000 TYR 168 0.840 -339.537 -10.701-152.151 -99.200 -91.000 PHE 175 1.000 -349.195 8.843-143.858 -99.200 -91.000 TYR 179 0.840 -337.406 0.634-146.908 -99.200 -91.000 TYR 182 0.840 -331.659 -11.578-150.013 -99.200 -91.000 TRP 192 1.040 -336.366 -14.749-140.166 -99.200 -91.000 TRP6 192 1.020 -336.203 -13.733-138.035 -99.200 -91.000 PHE 205 1.000 -320.996 -2.544-143.395 -99.200 -91.000 TRP 209 1.040 -326.089 11.113-137.356 -99.200 -91.000 TRP6 209 1.020 -326.352 9.761-135.432 -99.200 -91.000 TYR 212 0.840 -322.994 2.902-139.951 -99.200 -91.000 PHE 216 1.000 -323.059 1.764-144.812 -99.200 -91.000 TYR 227 0.840 -334.933 -14.679-159.225 -99.200 -91.000 TYR 234 0.840 -328.784 -4.887-147.100 -99.200 -91.000 TRP 235 1.040 -326.885 0.646-140.951 -99.200 -91.000 TRP6 235 1.020 -326.943 -0.900-139.165 -99.200 -91.000 TRP 259 1.040 -312.795 -15.628-141.871 -99.200 -91.000 TRP6 259 1.020 -312.502 -14.847-144.081 -99.200 -91.000 TYR 268 0.840 -329.807 -10.273-128.330 -99.200 -91.000 PHE 271 1.000 -333.378 -4.647-133.286 -99.200 -91.000 HIS 274 0.900 -337.653 6.632-129.208 -99.200 -91.000 TYR 280 0.840 -330.914 7.087-135.761 -99.200 -91.000 TYR 287 0.840 -328.576 -14.960-125.913 -99.200 -91.000 TYR 303 0.840 -314.020 -12.764-115.333 -99.200 -91.000 HIS 312 0.900 -322.519 -3.516-127.741 -99.200 -91.000 TYR 316 0.840 -328.482 7.665-125.519 -99.200 -91.000 PHE 317 1.000 -325.479 3.754-135.114 -99.200 -91.000 TYR 320 0.840 -316.216 9.259-139.825 -99.200 -91.000 TRP 327 1.040 -313.479 6.031-123.180 -99.200 -91.000 TRP6 327 1.020 -312.025 5.303-124.899 -99.200 -91.000 TRP 344 1.040 -322.387 -2.047-132.191 -99.200 -91.000 TRP6 344 1.020 -323.922 -3.287-133.486 -99.200 -91.000 TRP 345 1.040 -327.530 1.043-131.323 -99.200 -91.000 TRP6 345 1.020 -327.860 -0.481-133.095 -99.200 -91.000 TYR 346 0.840 -318.628 1.263-131.532 -99.200 -91.000 HIS 350 0.900 -316.237 -4.246-129.712 -99.200 -91.000 TYR 358 0.840 -315.148 -9.759-144.722 -99.200 -91.000 TYR 359 0.840 -308.806 -6.473-139.073 -99.200 -91.000 TRP 360 1.040 -309.198 -13.208-147.191 -99.200 -91.000 TRP6 360 1.020 -311.165 -12.872-148.456 -99.200 -91.000 TYR 364 0.840 -308.798 -8.257-135.496 -99.200 -91.000 TRP 366 1.040 -300.822 -5.895-130.443 -99.200 -91.000 TRP6 366 1.020 -299.382 -4.023-130.584 -99.200 -91.000 HIS 371 0.900 -307.508 4.744-134.787 -99.200 -91.000 TRP 379 1.040 -321.615 -12.572-130.665 -99.200 -91.000 TRP6 379 1.020 -323.205 -10.878-131.102 -99.200 -91.000 TRP 382 1.040 -318.561 -18.673-131.559 -99.200 -91.000 TRP6 382 1.020 -318.488 -18.275-133.891 -99.200 -91.000 TRP 386 1.040 -307.135 -9.574-129.899 -99.200 -91.000 TRP6 386 1.020 -306.982 -7.377-130.769 -99.200 -91.000 TYR 387 0.840 -312.013 -16.173-136.292 -99.200 -91.000 TYR 399 0.840 -341.727 -12.565-129.906 -99.200 -91.000 PHE 400 1.000 -347.078 -15.104-135.229 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1m1jE1 ILE 63 HA 0.12 -0.08 0.19 -0.75 4.18 3.66 1m1jE1 ILE 63 HB 0.01 0.04 0.05 -0.04 1.89 1.95 1m1jE1 ILE 63 HG12 -0.07 -0.04 0.02 -0.04 1.49 1.36 1m1jE1 ILE 63 HG13 -0.10 0.02 -0.21 -0.04 1.21 0.87 1m1jE1 ILE 63 HG23 0.01 -0.01 0.04 -0.04 0.93 0.92 1m1jE1 ILE 63 HD13 -0.03 -0.00 -0.03 -0.04 0.88 0.78 1m1jE1 TYR 64 H 0.17 0.14 0.11 -0.55 8.29 8.16 1m1jE1 TYR 64 HA -0.00 0.19 0.78 -0.75 4.56 4.78 1m1jE1 TYR 64 HB2 0.00 -0.05 -0.05 -0.04 3.06 2.92 1m1jE1 TYR 64 HB3 -0.00 -0.03 0.10 -0.04 2.98 3.01 1m1jE1 TYR 64 HD2 -0.00 -0.08 -0.17 -0.04 7.15 6.85 1m1jE1 TYR 64 HE2 -0.00 -0.03 -0.04 -0.04 6.85 6.74 1m1jE1 PRO 65 HA 0.04 0.12 0.48 -0.51 4.44 4.57 1m1jE1 PRO 65 HB2 0.04 -0.04 0.12 -0.04 2.28 2.35 1m1jE1 PRO 65 HB3 0.04 0.04 0.10 -0.04 2.02 2.16 1m1jE1 PRO 65 HG2 0.09 -0.06 0.13 -0.04 2.03 2.15 1m1jE1 PRO 65 HG3 0.08 0.06 0.10 -0.04 2.03 2.23 1m1jE1 PRO 65 HD2 0.33 0.10 0.20 -0.04 3.68 4.26 1m1jE1 PRO 65 HD3 0.09 0.15 0.17 -0.04 3.65 4.01 1m1jE1 ASP 66 H 0.04 0.04 0.05 -0.55 8.40 7.99 1m1jE1 ASP 66 HA 0.02 -0.04 0.39 -0.75 4.63 4.24 1m1jE1 ASP 66 HB2 0.03 0.46 0.46 -0.04 2.71 3.62 1m1jE1 ASP 66 HB3 0.02 -0.06 0.03 -0.04 2.70 2.65 1m1jE1 ALA 67 H 0.01 0.24 0.16 -0.55 8.40 8.26 1m1jE1 ALA 67 HA 0.01 0.04 0.46 -0.75 4.34 4.10 1m1jE1 ALA 67 HB3 0.01 0.07 -0.05 -0.04 1.41 1.40 1m1jE1 GLY 68 H 0.01 0.14 0.20 -0.55 8.43 8.23 1m1jE1 GLY 68 HA2 0.01 0.03 0.33 -0.51 4.01 3.86 1m1jE1 GLY 68 HA3 0.01 0.19 0.97 -0.51 4.01 4.66 1m1jE1 GLY 69 H 0.01 -0.03 0.12 -0.55 8.43 7.98 1m1jE1 GLY 69 HA2 0.01 0.19 0.89 -0.51 4.01 4.58 1m1jE1 GLY 69 HA3 0.01 0.15 0.37 -0.51 4.01 4.03 1m1jE1 CYS 70 H 0.01 0.46 0.24 -0.55 8.50 8.67 1m1jE1 CYS 70 HA 0.00 0.10 0.62 -0.75 4.58 4.55 1m1jE1 CYS 70 HB2 -0.01 0.04 0.05 -0.04 2.97 3.01 1m1jE1 CYS 70 HB3 -0.00 0.08 -0.18 -0.04 2.97 2.83 1m1jE1 LYS 71 H 0.00 0.16 0.14 -0.55 8.42 8.18 1m1jE1 LYS 71 HA 0.04 0.20 0.91 -0.75 4.32 4.72 1m1jE1 LYS 71 HB2 0.01 -0.05 0.11 -0.04 1.87 1.90 1m1jE1 LYS 71 HB3 0.02 0.08 -0.11 -0.04 1.79 1.74 1m1jE1 LYS 71 HG2 0.02 0.07 -0.09 -0.04 1.46 1.43 1m1jE1 LYS 71 HG3 0.01 -0.04 -0.09 -0.04 1.46 1.30 1m1jE1 LYS 71 HD2 0.01 -0.02 -0.04 -0.04 1.69 1.60 1m1jE1 LYS 71 HD3 0.02 0.02 -0.06 -0.04 1.68 1.62 1m1jE1 LYS 71 HE2 0.01 0.01 -0.07 -0.04 2.99 2.91 1m1jE1 LYS 71 HE3 0.01 -0.01 -0.05 -0.04 2.99 2.90 1m1jE1 HIS 72 H 0.12 0.48 0.20 -0.55 8.41 8.66 1m1jE1 HIS 72 HA 0.00 0.17 0.62 -0.75 4.63 4.67 1m1jE1 HIS 72 HB2 0.00 0.06 0.04 -0.04 3.26 3.32 1m1jE1 HIS 72 HB3 0.00 0.00 0.04 -0.04 3.20 3.20 1m1jE1 HIS 72 HD2 -0.00 0.01 -0.02 -0.04 6.97 6.91 1m1jE1 HIS 72 HE1 -0.00 0.01 -0.02 -0.04 7.75 7.69 1m1jE1 PRO 73 HA 0.03 0.10 0.36 -0.51 4.44 4.42 1m1jE1 PRO 73 HB2 0.03 0.02 0.11 -0.04 2.28 2.39 1m1jE1 PRO 73 HB3 -0.03 0.05 0.12 -0.04 2.02 2.12 1m1jE1 PRO 73 HG2 0.05 0.01 -0.01 -0.04 2.03 2.04 1m1jE1 PRO 73 HG3 -0.14 0.05 0.06 -0.04 2.03 1.96 1m1jE1 PRO 73 HD2 -1.19 0.06 0.22 -0.04 3.68 2.72 1m1jE1 PRO 73 HD3 -0.25 0.20 0.19 -0.04 3.65 3.74 1m1jE1 LEU 74 H 0.34 0.03 -1.19 -0.55 8.37 7.01 1m1jE1 LEU 74 HA 0.06 0.18 0.86 -0.75 4.35 4.70 1m1jE1 LEU 74 HB2 -0.11 -0.05 0.15 -0.04 1.64 1.59 1m1jE1 LEU 74 HB3 -0.02 -0.02 0.09 -0.04 1.64 1.64 1m1jE1 LEU 74 HG 0.29 -0.04 -0.19 -0.04 1.64 1.66 1m1jE1 LEU 74 HD13 -0.10 0.01 -0.01 -0.04 0.93 0.79 1m1jE1 LEU 74 HD23 0.06 0.07 -0.10 -0.04 0.89 0.88 1m1jE1 ASP 75 H 0.03 0.24 -0.02 -0.55 8.40 8.11 1m1jE1 ASP 75 HA 0.03 0.10 0.31 -0.75 4.63 4.31 1m1jE1 ASP 75 HB2 0.02 0.03 0.11 -0.04 2.71 2.83 1m1jE1 ASP 75 HB3 0.01 -0.02 0.02 -0.04 2.70 2.67 1m1jE1 GLU 76 H -0.01 -0.05 -0.67 -0.55 8.60 7.33 1m1jE1 GLU 76 HA -0.01 0.06 0.37 -0.75 4.29 3.96 1m1jE1 GLU 76 HB2 -0.02 -0.03 0.05 -0.04 2.09 2.05 1m1jE1 GLU 76 HB3 -0.04 -0.06 0.08 -0.04 1.99 1.93 1m1jE1 GLU 76 HG2 -0.03 0.05 -0.26 -0.04 2.34 2.05 1m1jE1 GLU 76 HG3 -0.02 0.01 -0.01 -0.04 2.34 2.28 1m1jE1 LEU 77 H -0.07 0.20 0.05 -0.55 8.37 8.00 1m1jE1 LEU 77 HA -0.05 0.01 0.35 -0.75 4.35 3.91 1m1jE1 LEU 77 HB2 -0.10 0.04 0.05 -0.04 1.64 1.59 1m1jE1 LEU 77 HB3 -0.09 -0.02 -0.00 -0.04 1.64 1.49 1m1jE1 LEU 77 HG -0.22 -0.05 0.10 -0.04 1.64 1.43 1m1jE1 LEU 77 HD13 -0.81 -0.02 0.01 -0.04 0.93 0.07 1m1jE1 LEU 77 HD23 -0.11 0.00 0.01 -0.04 0.89 0.75 1m1jE1 GLY 78 H 0.01 0.16 -0.61 -0.55 8.43 7.44 1m1jE1 GLY 78 HA2 0.01 0.06 0.28 -0.51 4.01 3.85 1m1jE1 GLY 78 HA3 0.01 0.08 0.53 -0.51 4.01 4.12 1m1jE1 VAL 79 H 0.01 0.18 0.18 -0.55 8.24 8.07 1m1jE1 VAL 79 HA 0.03 0.15 1.02 -0.75 4.13 4.58 1m1jE1 VAL 79 HB 0.01 -0.01 0.11 -0.04 2.12 2.19 1m1jE1 VAL 79 HG13 0.01 0.03 -0.21 -0.04 0.97 0.77 1m1jE1 VAL 79 HG23 0.01 -0.02 -0.09 -0.04 0.95 0.81 1m1jE1 LEU 80 H 0.04 0.47 0.30 -0.55 8.37 8.63 1m1jE1 LEU 80 HA 0.02 0.12 0.58 -0.75 4.35 4.32 1m1jE1 LEU 80 HB2 0.03 -0.06 0.03 -0.04 1.64 1.60 1m1jE1 LEU 80 HB3 0.03 -0.00 0.09 -0.04 1.64 1.72 1m1jE1 LEU 80 HG 0.09 0.06 0.00 -0.04 1.64 1.74 1m1jE1 LEU 80 HD13 0.14 -0.02 -0.05 -0.04 0.93 0.96 1m1jE1 LEU 80 HD23 0.04 0.00 -0.16 -0.04 0.89 0.73 1m1jE1 CYS 81 H 0.01 0.23 0.20 -0.55 8.50 8.39 1m1jE1 CYS 81 HA 0.01 0.15 0.63 -0.75 4.58 4.62 1m1jE1 CYS 81 HB2 0.01 -0.01 -0.02 -0.04 2.97 2.90 1m1jE1 CYS 81 HB3 0.01 0.04 0.03 -0.04 2.97 3.00 1m1jE1 PRO 82 HA 0.01 -0.08 0.46 -0.51 4.44 4.31 1m1jE1 PRO 82 HB2 0.00 0.04 0.06 -0.04 2.28 2.34 1m1jE1 PRO 82 HB3 0.00 -0.07 0.07 -0.04 2.02 1.98 1m1jE1 PRO 82 HG2 0.01 0.10 0.17 -0.04 2.03 2.26 1m1jE1 PRO 82 HG3 0.01 0.10 0.19 -0.04 2.03 2.29 1m1jE1 PRO 82 HD2 0.01 0.08 0.10 -0.04 3.68 3.82 1m1jE1 PRO 82 HD3 0.01 0.23 -0.11 -0.04 3.65 3.73 1m1jE1 THR 83 H 0.00 0.01 0.22 -0.55 8.28 7.97 1m1jE1 THR 83 HA 0.00 0.25 0.51 -0.75 4.39 4.40 1m1jE1 THR 83 HB 0.00 -0.42 0.22 -0.04 4.32 4.09 1m1jE1 THR 83 HG23 0.00 -0.03 0.23 -0.04 1.22 1.38 1m1jE1 GLY 84 H 0.00 0.21 0.22 -0.55 8.43 8.32 1m1jE1 GLY 84 HA2 0.00 0.24 0.66 -0.51 4.01 4.40 1m1jE1 GLY 84 HA3 -0.00 0.12 0.35 -0.51 4.01 3.96 1m1jE1 CYS 85 H 0.00 -0.03 -0.02 -0.55 8.50 7.89 1m1jE1 CYS 85 HA 0.00 0.23 0.68 -0.75 4.58 4.73 1m1jE1 CYS 85 HB2 0.00 -0.06 0.12 -0.04 2.97 2.99 1m1jE1 CYS 85 HB3 0.00 0.08 -0.04 -0.04 2.97 2.97 1m1jE1 GLU 86 H 0.00 -0.04 -0.09 -0.55 8.60 7.93 1m1jE1 GLU 86 HA 0.00 0.12 0.39 -0.75 4.29 4.04 1m1jE1 GLU 86 HB2 0.00 -0.11 0.20 -0.04 2.09 2.15 1m1jE1 GLU 86 HB3 0.00 0.15 0.05 -0.04 1.99 2.15 1m1jE1 GLU 86 HG2 0.00 0.05 0.09 -0.04 2.34 2.45 1m1jE1 GLU 86 HG3 0.00 0.06 0.04 -0.04 2.34 2.40 1m1jE1 LEU 87 H 0.00 0.14 -0.68 -0.55 8.37 7.28 1m1jE1 LEU 87 HA 0.00 0.15 0.59 -0.75 4.35 4.34 1m1jE1 LEU 87 HB2 0.00 0.05 -0.04 -0.04 1.64 1.61 1m1jE1 LEU 87 HB3 0.00 0.03 -0.07 -0.04 1.64 1.55 1m1jE1 LEU 87 HG 0.00 0.04 -0.10 -0.04 1.64 1.55 1m1jE1 LEU 87 HD13 0.00 0.01 -0.03 -0.04 0.93 0.86 1m1jE1 LEU 87 HD23 0.00 0.01 -0.04 -0.04 0.89 0.82 1m1jE1 GLN 88 H 0.00 0.14 -0.40 -0.55 8.47 7.66 1m1jE1 GLN 88 HA 0.00 0.08 0.40 -0.75 4.36 4.09 1m1jE1 GLN 88 HB2 0.00 0.12 0.19 -0.04 2.15 2.42 1m1jE1 GLN 88 HB3 0.00 -0.01 0.19 -0.04 2.02 2.16 1m1jE1 GLN 88 HG2 0.00 -0.02 0.03 -0.04 2.40 2.37 1m1jE1 GLN 88 HG3 0.00 -0.01 0.15 -0.04 2.39 2.49 1m1jE1 GLN 88 HE21 0.00 -0.01 0.01 -0.04 6.97 6.93 1m1jE1 GLN 88 HE22 0.00 -0.01 -0.01 -0.04 7.69 7.63 1m1jE1 THR 89 H 0.00 0.08 -0.93 -0.55 8.28 6.89 1m1jE1 THR 89 HA 0.00 0.16 0.86 -0.75 4.39 4.66 1m1jE1 THR 89 HB 0.00 0.09 0.09 -0.04 4.32 4.46 1m1jE1 THR 89 HG23 0.00 -0.00 -0.12 -0.04 1.22 1.06 1m1jE1 THR 90 H 0.00 0.49 0.06 -0.55 8.28 8.29 1m1jE1 THR 90 HA 0.00 0.02 0.39 -0.75 4.39 4.05 1m1jE1 THR 90 HB 0.00 0.02 0.23 -0.04 4.32 4.53 1m1jE1 THR 90 HG23 0.00 -0.00 0.15 -0.04 1.22 1.33 1m1jE1 LEU 91 H 0.00 0.39 -1.15 -0.55 8.37 7.06 1m1jE1 LEU 91 HA 0.00 0.09 0.53 -0.75 4.35 4.22 1m1jE1 LEU 91 HB2 0.00 0.13 -0.30 -0.04 1.64 1.43 1m1jE1 LEU 91 HB3 0.00 0.03 -0.10 -0.04 1.64 1.53 1m1jE1 LEU 91 HG 0.00 0.00 0.02 -0.04 1.64 1.62 1m1jE1 LEU 91 HD13 0.00 -0.01 -0.08 -0.04 0.93 0.81 1m1jE1 LEU 91 HD23 0.00 -0.02 -0.22 -0.04 0.89 0.61 1m1jE1 LEU 92 H 0.00 0.22 -0.22 -0.55 8.37 7.83 1m1jE1 LEU 92 HA 0.00 0.09 0.45 -0.75 4.35 4.13 1m1jE1 LEU 92 HB2 0.00 0.20 0.24 -0.04 1.64 2.03 1m1jE1 LEU 92 HB3 0.00 0.00 0.23 -0.04 1.64 1.83 1m1jE1 LEU 92 HG 0.00 -0.07 0.12 -0.04 1.64 1.65 1m1jE1 LEU 92 HD13 0.00 -0.01 0.09 -0.04 0.93 0.96 1m1jE1 LEU 92 HD23 0.00 -0.01 0.07 -0.04 0.89 0.91 1m1jE1 LYS 93 H 0.00 0.29 -0.19 -0.55 8.42 7.96 1m1jE1 LYS 93 HA 0.00 0.14 0.69 -0.75 4.32 4.40 1m1jE1 LYS 93 HB2 0.00 0.00 0.06 -0.04 1.87 1.90 1m1jE1 LYS 93 HB3 0.00 0.00 0.01 -0.04 1.79 1.76 1m1jE1 LYS 93 HG2 0.00 0.15 0.09 -0.04 1.46 1.66 1m1jE1 LYS 93 HG3 0.00 -0.02 -0.04 -0.04 1.46 1.37 1m1jE1 LYS 93 HD2 0.00 0.00 0.01 -0.04 1.69 1.66 1m1jE1 LYS 93 HD3 0.00 0.02 -0.07 -0.04 1.68 1.59 1m1jE1 LYS 93 HE2 0.00 0.01 -0.01 -0.04 2.99 2.95 1m1jE1 LYS 93 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.93 1m1jE1 GLN 94 H 0.00 0.12 -0.21 -0.55 8.47 7.84 1m1jE1 GLN 94 HA 0.00 0.03 0.38 -0.75 4.36 4.01 1m1jE1 GLN 94 HB2 0.00 0.15 0.04 -0.04 2.15 2.30 1m1jE1 GLN 94 HB3 0.00 -0.01 0.15 -0.04 2.02 2.12 1m1jE1 GLN 94 HG2 0.00 -0.02 -0.04 -0.04 2.40 2.30 1m1jE1 GLN 94 HG3 0.00 -0.11 -0.15 -0.04 2.39 2.10 1m1jE1 GLN 94 HE21 0.00 0.02 0.01 -0.04 6.97 6.97 1m1jE1 GLN 94 HE22 0.00 -0.05 -0.02 -0.04 7.69 7.58 1m1jE1 GLU 95 H 0.00 -0.05 -1.81 -0.55 8.60 6.19 1m1jE1 GLU 95 HA 0.00 0.15 0.63 -0.75 4.29 4.32 1m1jE1 GLU 95 HB2 0.00 0.03 0.05 -0.04 2.09 2.13 1m1jE1 GLU 95 HB3 0.00 0.26 0.12 -0.04 1.99 2.34 1m1jE1 GLU 95 HG2 0.00 -0.00 0.01 -0.04 2.34 2.30 1m1jE1 GLU 95 HG3 0.00 -0.04 -0.23 -0.04 2.34 2.03 1m1jE1 LYS 96 H 0.00 0.30 0.07 -0.55 8.42 8.23 1m1jE1 LYS 96 HA -0.00 0.11 0.58 -0.75 4.32 4.25 1m1jE1 LYS 96 HB2 -0.00 0.05 0.15 -0.04 1.87 2.03 1m1jE1 LYS 96 HB3 -0.00 -0.01 0.22 -0.04 1.79 1.96 1m1jE1 LYS 96 HG2 0.00 0.04 0.08 -0.04 1.46 1.54 1m1jE1 LYS 96 HG3 0.00 0.00 0.07 -0.04 1.46 1.49 1m1jE1 LYS 96 HD2 0.00 0.02 -0.13 -0.04 1.69 1.54 1m1jE1 LYS 96 HD3 0.00 0.01 -0.01 -0.04 1.68 1.64 1m1jE1 LYS 96 HE2 -0.00 -0.01 0.10 -0.04 2.99 3.03 1m1jE1 LYS 96 HE3 0.00 0.00 0.00 -0.04 2.99 2.95 1m1jE1 THR 97 H -0.00 0.06 -0.95 -0.55 8.28 6.84 1m1jE1 THR 97 HA -0.00 0.19 0.81 -0.75 4.39 4.63 1m1jE1 THR 97 HB -0.00 -0.07 0.06 -0.04 4.32 4.27 1m1jE1 THR 97 HG23 -0.00 0.00 -0.16 -0.04 1.22 1.02 1m1jE1 VAL 98 H -0.00 0.29 -0.09 -0.55 8.24 7.89 1m1jE1 VAL 98 HA -0.00 0.04 0.40 -0.75 4.13 3.82 1m1jE1 VAL 98 HB 0.00 0.16 0.08 -0.04 2.12 2.32 1m1jE1 VAL 98 HG13 -0.00 -0.00 0.06 -0.04 0.97 0.99 1m1jE1 VAL 98 HG23 -0.00 -0.01 0.03 -0.04 0.95 0.93 1m1jE1 LYS 99 H -0.00 0.06 -0.82 -0.55 8.42 7.11 1m1jE1 LYS 99 HA 0.00 0.13 0.53 -0.75 4.32 4.22 1m1jE1 LYS 99 HB2 -0.00 -0.01 0.06 -0.04 1.87 1.88 1m1jE1 LYS 99 HB3 0.00 -0.05 -0.08 -0.04 1.79 1.63 1m1jE1 LYS 99 HG2 0.00 0.14 0.03 -0.04 1.46 1.59 1m1jE1 LYS 99 HG3 0.00 -0.06 -0.04 -0.04 1.46 1.32 1m1jE1 LYS 99 HD2 0.00 -0.04 -0.03 -0.04 1.69 1.58 1m1jE1 LYS 99 HD3 0.00 -0.00 0.03 -0.04 1.68 1.67 1m1jE1 LYS 99 HE2 0.00 -0.02 -0.03 -0.04 2.99 2.90 1m1jE1 LYS 99 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.91 1m1jE1 PRO 100 HA -0.00 0.06 0.47 -0.51 4.44 4.46 1m1jE1 PRO 100 HB2 -0.00 0.07 0.05 -0.04 2.28 2.36 1m1jE1 PRO 100 HB3 -0.00 0.00 0.07 -0.04 2.02 2.05 1m1jE1 PRO 100 HG2 -0.00 0.14 0.09 -0.04 2.03 2.22 1m1jE1 PRO 100 HG3 -0.00 0.00 0.02 -0.04 2.03 2.02 1m1jE1 PRO 100 HD2 -0.00 0.39 -0.08 -0.04 3.68 3.95 1m1jE1 PRO 100 HD3 -0.00 0.04 -0.06 -0.04 3.65 3.59 1m1jE1 VAL 101 H -0.00 0.44 -0.15 -0.55 8.24 7.98 1m1jE1 VAL 101 HA -0.00 0.04 0.27 -0.75 4.13 3.68 1m1jE1 VAL 101 HB -0.00 0.01 -0.04 -0.04 2.12 2.05 1m1jE1 VAL 101 HG13 -0.01 -0.00 -0.08 -0.04 0.97 0.84 1m1jE1 VAL 101 HG23 -0.00 0.05 0.03 -0.04 0.95 0.98 1m1jE1 LEU 102 H -0.00 0.29 -1.00 -0.55 8.37 7.12 1m1jE1 LEU 102 HA -0.00 0.12 0.69 -0.75 4.35 4.41 1m1jE1 LEU 102 HB2 -0.00 0.18 0.06 -0.04 1.64 1.84 1m1jE1 LEU 102 HB3 0.00 -0.07 0.14 -0.04 1.64 1.67 1m1jE1 LEU 102 HG -0.00 0.11 -0.08 -0.04 1.64 1.63 1m1jE1 LEU 102 HD13 -0.00 -0.02 0.02 -0.04 0.93 0.89 1m1jE1 LEU 102 HD23 -0.00 0.01 -0.16 -0.04 0.89 0.69 1m1jE1 ARG 103 H -0.00 0.69 -0.22 -0.55 8.46 8.37 1m1jE1 ARG 103 HA 0.00 0.16 0.88 -0.75 4.34 4.63 1m1jE1 ARG 103 HB2 0.00 0.11 0.26 -0.04 1.90 2.23 1m1jE1 ARG 103 HB3 0.00 -0.07 0.05 -0.04 1.80 1.74 1m1jE1 ARG 103 HG2 0.00 -0.03 0.01 -0.04 1.67 1.61 1m1jE1 ARG 103 HG3 0.00 0.31 -0.10 -0.04 1.67 1.84 1m1jE1 ARG 103 HD2 0.00 -0.09 -0.10 -0.04 3.22 2.99 1m1jE1 ARG 103 HD3 0.00 -0.04 -0.02 -0.04 3.22 3.11 1m1jE1 ASP 104 H -0.00 0.60 0.09 -0.55 8.40 8.54 1m1jE1 ASP 104 HA 0.00 0.04 0.87 -0.75 4.63 4.79 1m1jE1 ASP 104 HB2 -0.00 0.09 0.15 -0.04 2.71 2.90 1m1jE1 ASP 104 HB3 -0.00 0.01 0.19 -0.04 2.70 2.86 1m1jE1 LEU 105 H -0.00 -0.75 -0.39 -0.55 8.37 6.67 1m1jE1 LEU 105 HA -0.01 0.11 0.35 -0.75 4.35 4.04 1m1jE1 LEU 105 HB2 -0.01 0.15 -0.04 -0.04 1.64 1.70 1m1jE1 LEU 105 HB3 -0.01 0.11 -0.02 -0.04 1.64 1.68 1m1jE1 LEU 105 HG -0.01 -0.04 0.05 -0.04 1.64 1.60 1m1jE1 LEU 105 HD13 -0.03 -0.01 0.07 -0.04 0.93 0.92 1m1jE1 LEU 105 HD23 -0.01 -0.00 0.01 -0.04 0.89 0.84 1m1jE1 LYS 106 H 0.00 -0.48 -0.21 -0.55 8.42 7.18 1m1jE1 LYS 106 HA 0.01 0.23 0.67 -0.75 4.32 4.48 1m1jE1 LYS 106 HB2 0.00 0.21 -0.10 -0.04 1.87 1.94 1m1jE1 LYS 106 HB3 0.01 0.05 0.03 -0.04 1.79 1.83 1m1jE1 LYS 106 HG2 0.01 -0.01 0.07 -0.04 1.46 1.49 1m1jE1 LYS 106 HG3 0.00 0.09 0.07 -0.04 1.46 1.58 1m1jE1 LYS 106 HD2 0.01 -0.10 0.01 -0.04 1.69 1.57 1m1jE1 LYS 106 HD3 0.01 0.00 0.03 -0.04 1.68 1.68 1m1jE1 LYS 106 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.90 1m1jE1 LYS 106 HE3 0.00 0.05 0.02 -0.04 2.99 3.03 1m1jE1 ASP 107 H 0.01 -0.04 0.15 -0.55 8.40 7.97 1m1jE1 ASP 107 HA 0.02 0.18 0.79 -0.75 4.63 4.86 1m1jE1 ASP 107 HB2 0.01 0.17 0.20 -0.04 2.71 3.05 1m1jE1 ASP 107 HB3 0.01 -0.01 0.22 -0.04 2.70 2.88 1m1jE1 ARG 108 H 0.01 0.04 -0.19 -0.55 8.46 7.76 1m1jE1 ARG 108 HA 0.03 0.15 0.58 -0.75 4.34 4.34 1m1jE1 ARG 108 HB2 -0.01 0.08 -0.15 -0.04 1.90 1.77 1m1jE1 ARG 108 HB3 -0.02 0.07 0.11 -0.04 1.80 1.92 1m1jE1 ARG 108 HG2 0.01 0.01 -0.08 -0.04 1.67 1.57 1m1jE1 ARG 108 HG3 -0.00 -0.12 -0.10 -0.04 1.67 1.41 1m1jE1 ARG 108 HD2 -0.01 0.00 0.01 -0.04 3.22 3.17 1m1jE1 ARG 108 HD3 -0.00 -0.00 0.00 -0.04 3.22 3.17 1m1jE1 VAL 109 H 0.04 -0.08 -1.00 -0.55 8.24 6.65 1m1jE1 VAL 109 HA 0.11 0.14 0.50 -0.75 4.13 4.13 1m1jE1 VAL 109 HB 0.03 0.11 -0.17 -0.04 2.12 2.04 1m1jE1 VAL 109 HG13 0.06 -0.00 0.09 -0.04 0.97 1.08 1m1jE1 VAL 109 HG23 -0.02 -0.02 -0.25 -0.04 0.95 0.61 1m1jE1 ALA 110 H 0.06 -0.00 -0.28 -0.55 8.40 7.63 1m1jE1 ALA 110 HA 0.04 0.22 0.85 -0.75 4.34 4.69 1m1jE1 ALA 110 HB3 0.02 0.14 0.24 -0.04 1.41 1.77 1m1jE1 LYS 111 H 0.06 0.47 0.21 -0.55 8.42 8.60 1m1jE1 LYS 111 HA 0.02 0.15 0.64 -0.75 4.32 4.38 1m1jE1 LYS 111 HB2 0.03 0.02 0.18 -0.04 1.87 2.05 1m1jE1 LYS 111 HB3 0.03 0.04 0.14 -0.04 1.79 1.95 1m1jE1 LYS 111 HG2 0.05 0.25 0.18 -0.04 1.46 1.90 1m1jE1 LYS 111 HG3 0.08 -0.02 -0.18 -0.04 1.46 1.30 1m1jE1 LYS 111 HD2 0.03 -0.00 -0.02 -0.04 1.69 1.66 1m1jE1 LYS 111 HD3 0.03 -0.00 0.00 -0.04 1.68 1.68 1m1jE1 LYS 111 HE2 0.02 -0.01 0.04 -0.04 2.99 3.00 1m1jE1 LYS 111 HE3 0.02 0.01 0.01 -0.04 2.99 2.99 1m1jE1 PHE 112 H 0.16 -0.04 -0.69 -0.55 8.34 7.22 1m1jE1 PHE 112 HA -0.01 0.22 0.85 -0.75 4.62 4.93 1m1jE1 PHE 112 HB2 -0.00 0.07 -0.12 -0.04 3.15 3.05 1m1jE1 PHE 112 HB3 -0.01 -0.01 -0.18 -0.04 3.06 2.83 1m1jE1 PHE 112 HD2 -0.00 0.02 -0.14 -0.04 7.28 7.12 1m1jE1 PHE 112 HE2 -0.00 0.03 -0.04 -0.04 7.38 7.32 1m1jE1 PHE 112 HZ -0.00 0.03 -0.02 -0.04 7.32 7.29 1m1jE1 SER 113 H 0.09 0.12 -0.36 -0.55 8.46 7.76 1m1jE1 SER 113 HA -0.14 0.11 0.41 -0.75 4.49 4.12 1m1jE1 SER 113 HB2 0.07 0.21 0.14 -0.04 3.95 4.32 1m1jE1 SER 113 HB3 0.01 0.05 0.10 -0.04 3.93 4.04 1m1jE1 ASP 114 H -0.05 0.23 -0.28 -0.55 8.40 7.75 1m1jE1 ASP 114 HA -0.07 0.13 0.45 -0.75 4.63 4.38 1m1jE1 ASP 114 HB2 -0.05 0.01 0.02 -0.04 2.71 2.65 1m1jE1 ASP 114 HB3 -0.03 0.10 0.09 -0.04 2.70 2.81 1m1jE1 THR 115 H -0.14 0.12 -0.50 -0.55 8.28 7.22 1m1jE1 THR 115 HA -0.12 0.06 0.40 -0.75 4.39 3.98 1m1jE1 THR 115 HB -0.20 0.04 0.17 -0.04 4.32 4.29 1m1jE1 THR 115 HG23 -0.11 0.01 -0.17 -0.04 1.22 0.90 1m1jE1 SER 116 H -0.49 0.69 -0.14 -0.55 8.46 7.98 1m1jE1 SER 116 HA -0.22 0.02 0.34 -0.75 4.49 3.88 1m1jE1 SER 116 HB2 -0.84 0.01 0.10 -0.04 3.95 3.17 1m1jE1 SER 116 HB3 -0.43 0.10 0.06 -0.04 3.93 3.63 1m1jE1 THR 117 H -0.15 0.14 -1.14 -0.55 8.28 6.58 1m1jE1 THR 117 HA -0.03 0.12 0.78 -0.75 4.39 4.51 1m1jE1 THR 117 HB -0.08 0.12 0.20 -0.04 4.32 4.52 1m1jE1 THR 117 HG23 -0.04 -0.02 -0.03 -0.04 1.22 1.09 1m1jE1 THR 118 H -0.12 0.75 0.24 -0.55 8.28 8.60 1m1jE1 THR 118 HA -0.20 0.02 0.50 -0.75 4.39 3.96 1m1jE1 THR 118 HB -0.17 0.05 0.15 -0.04 4.32 4.31 1m1jE1 THR 118 HG23 -0.34 -0.02 0.05 -0.04 1.22 0.87 1m1jE1 MET 119 H -0.11 0.38 -0.37 -0.55 8.47 7.82 1m1jE1 MET 119 HA -0.10 0.08 0.64 -0.75 4.52 4.39 1m1jE1 MET 119 HB2 -0.07 0.06 0.00 -0.04 2.15 2.10 1m1jE1 MET 119 HB3 -0.05 0.05 -0.02 -0.04 2.03 1.97 1m1jE1 MET 119 HG2 -0.00 0.01 -0.03 -0.04 2.63 2.56 1m1jE1 MET 119 HG3 0.01 -0.02 -0.05 -0.04 2.56 2.45 1m1jE1 MET 119 HE3 0.01 0.00 -0.03 -0.04 2.10 2.05 1m1jE1 TYR 120 H 0.05 0.22 -0.47 -0.55 8.29 7.54 1m1jE1 TYR 120 HA -0.02 0.09 0.54 -0.75 4.56 4.41 1m1jE1 TYR 120 HB2 -0.05 0.14 0.16 -0.04 3.06 3.27 1m1jE1 TYR 120 HB3 -0.06 0.13 0.19 -0.04 2.98 3.20 1m1jE1 TYR 120 HD2 -0.02 0.02 -0.08 -0.04 7.15 7.03 1m1jE1 TYR 120 HE2 -0.01 -0.00 -0.03 -0.04 6.85 6.77 1m1jE1 GLN 121 H -0.02 0.39 -0.16 -0.55 8.47 8.13 1m1jE1 GLN 121 HA -0.05 0.08 0.44 -0.75 4.36 4.07 1m1jE1 GLN 121 HB2 0.03 -0.03 0.07 -0.04 2.15 2.18 1m1jE1 GLN 121 HB3 0.01 0.07 0.11 -0.04 2.02 2.17 1m1jE1 GLN 121 HG2 -0.29 0.05 0.10 -0.04 2.40 2.21 1m1jE1 GLN 121 HG3 -0.32 -0.01 -0.11 -0.04 2.39 1.90 1m1jE1 GLN 121 HE21 -0.03 -0.01 0.01 -0.04 6.97 6.89 1m1jE1 GLN 121 HE22 -0.01 -0.01 0.02 -0.04 7.69 7.65 1m1jE1 TYR 122 H -0.01 0.23 -0.47 -0.55 8.29 7.49 1m1jE1 TYR 122 HA -0.06 0.09 0.68 -0.75 4.56 4.51 1m1jE1 TYR 122 HB2 -0.03 0.11 0.12 -0.04 3.06 3.22 1m1jE1 TYR 122 HB3 -0.04 -0.02 0.00 -0.04 2.98 2.89 1m1jE1 TYR 122 HD2 -0.02 -0.04 -0.15 -0.04 7.15 6.89 1m1jE1 TYR 122 HE2 -0.01 -0.01 -0.01 -0.04 6.85 6.77 1m1jE1 VAL 123 H -0.01 0.48 -0.14 -0.55 8.24 8.02 1m1jE1 VAL 123 HA -0.01 0.04 0.40 -0.75 4.13 3.81 1m1jE1 VAL 123 HB -0.10 0.07 0.11 -0.04 2.12 2.16 1m1jE1 VAL 123 HG13 -0.03 -0.01 0.12 -0.04 0.97 1.01 1m1jE1 VAL 123 HG23 0.01 0.10 0.10 -0.04 0.95 1.12 1m1jE1 ASN 124 H -0.10 -0.01 -1.17 -0.55 8.53 6.70 1m1jE1 ASN 124 HA -0.13 0.19 0.87 -0.75 4.76 4.94 1m1jE1 ASN 124 HB2 -0.52 0.23 -0.02 -0.04 2.88 2.53 1m1jE1 ASN 124 HB3 -0.17 0.07 0.04 -0.04 2.79 2.68 1m1jE1 ASN 124 HD21 -0.03 -0.02 -0.02 -0.04 7.03 6.92 1m1jE1 ASN 124 HD22 -0.13 0.02 -0.03 -0.04 7.74 7.57 1m1jE1 MET 125 H -0.02 0.40 0.09 -0.55 8.47 8.39 1m1jE1 MET 125 HA -0.02 0.04 0.50 -0.75 4.52 4.28 1m1jE1 MET 125 HB2 0.03 0.09 0.23 -0.04 2.15 2.46 1m1jE1 MET 125 HB3 0.02 0.03 0.27 -0.04 2.03 2.31 1m1jE1 MET 125 HG2 -0.04 -0.06 0.18 -0.04 2.63 2.67 1m1jE1 MET 125 HG3 -0.03 0.01 0.07 -0.04 2.56 2.57 1m1jE1 MET 125 HE3 -0.24 0.00 0.01 -0.04 2.10 1.83 1m1jE1 ILE 126 H -0.04 0.28 -0.40 -0.55 8.25 7.54 1m1jE1 ILE 126 HA -0.04 0.09 0.68 -0.75 4.18 4.15 1m1jE1 ILE 126 HB -0.03 0.09 0.05 -0.04 1.89 1.96 1m1jE1 ILE 126 HG12 -0.07 0.05 -0.02 -0.04 1.49 1.42 1m1jE1 ILE 126 HG13 -0.04 -0.02 -0.03 -0.04 1.21 1.08 1m1jE1 ILE 126 HG23 -0.02 -0.01 -0.11 -0.04 0.93 0.75 1m1jE1 ILE 126 HD13 -0.07 -0.00 0.01 -0.04 0.88 0.78 1m1jE1 ASP 127 H -0.05 0.03 -0.59 -0.55 8.40 7.24 1m1jE1 ASP 127 HA -0.03 0.08 0.51 -0.75 4.63 4.44 1m1jE1 ASP 127 HB2 -0.05 0.21 0.15 -0.04 2.71 2.98 1m1jE1 ASP 127 HB3 -0.06 0.06 0.20 -0.04 2.70 2.86 1m1jE1 ASN 128 H -0.03 0.25 -0.36 -0.55 8.53 7.84 1m1jE1 ASN 128 HA -0.02 0.10 0.46 -0.75 4.76 4.55 1m1jE1 ASN 128 HB2 -0.03 0.11 0.12 -0.04 2.88 3.05 1m1jE1 ASN 128 HB3 -0.02 -0.05 -0.01 -0.04 2.79 2.67 1m1jE1 ASN 128 HD21 -0.01 0.00 -0.03 -0.04 7.03 6.95 1m1jE1 ASN 128 HD22 -0.01 -0.03 0.02 -0.04 7.74 7.67 1m1jE1 LYS 129 H -0.03 0.29 -0.18 -0.55 8.42 7.95 1m1jE1 LYS 129 HA -0.02 -0.02 0.48 -0.75 4.32 4.00 1m1jE1 LYS 129 HB2 -0.03 0.14 0.12 -0.04 1.87 2.07 1m1jE1 LYS 129 HB3 -0.02 -0.02 0.03 -0.04 1.79 1.74 1m1jE1 LYS 129 HG2 -0.03 0.03 0.08 -0.04 1.46 1.50 1m1jE1 LYS 129 HG3 -0.03 -0.05 0.09 -0.04 1.46 1.43 1m1jE1 LYS 129 HD2 -0.03 -0.23 0.16 -0.04 1.69 1.55 1m1jE1 LYS 129 HD3 -0.04 0.06 0.23 -0.04 1.68 1.88 1m1jE1 LYS 129 HE2 -0.04 0.16 0.17 -0.04 2.99 3.24 1m1jE1 LYS 129 HE3 -0.04 -0.05 0.07 -0.04 2.99 2.94 1m1jE1 LEU 130 H -0.02 0.37 -0.30 -0.55 8.37 7.88 1m1jE1 LEU 130 HA -0.01 0.02 0.28 -0.75 4.35 3.88 1m1jE1 LEU 130 HB2 -0.02 0.11 0.05 -0.04 1.64 1.74 1m1jE1 LEU 130 HB3 -0.01 0.01 0.11 -0.04 1.64 1.70 1m1jE1 LEU 130 HG -0.01 0.02 0.03 -0.04 1.64 1.64 1m1jE1 LEU 130 HD13 -0.01 -0.01 0.01 -0.04 0.93 0.88 1m1jE1 LEU 130 HD23 -0.02 0.05 -0.00 -0.04 0.89 0.88 1m1jE1 VAL 131 H -0.01 0.12 -1.20 -0.55 8.24 6.59 1m1jE1 VAL 131 HA -0.01 0.17 0.86 -0.75 4.13 4.40 1m1jE1 VAL 131 HB -0.01 0.12 0.13 -0.04 2.12 2.32 1m1jE1 VAL 131 HG13 -0.01 -0.03 0.02 -0.04 0.97 0.92 1m1jE1 VAL 131 HG23 -0.01 0.07 -0.06 -0.04 0.95 0.91 1m1jE1 LYS 132 H -0.01 0.35 0.28 -0.55 8.42 8.48 1m1jE1 LYS 132 HA -0.01 0.08 0.63 -0.75 4.32 4.27 1m1jE1 LYS 132 HB2 -0.01 -0.03 0.31 -0.04 1.87 2.09 1m1jE1 LYS 132 HB3 -0.01 -0.02 0.08 -0.04 1.79 1.79 1m1jE1 LYS 132 HG2 -0.01 -0.00 0.06 -0.04 1.46 1.46 1m1jE1 LYS 132 HG3 -0.01 0.17 0.01 -0.04 1.46 1.59 1m1jE1 LYS 132 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.61 1m1jE1 LYS 132 HD3 -0.01 -0.01 0.02 -0.04 1.68 1.64 1m1jE1 LYS 132 HE2 -0.01 0.01 -0.00 -0.04 2.99 2.94 1m1jE1 LYS 132 HE3 -0.01 0.01 -0.00 -0.04 2.99 2.95 1m1jE1 THR 133 H -0.01 0.57 0.27 -0.55 8.28 8.56 1m1jE1 THR 133 HA -0.01 0.01 0.35 -0.75 4.39 3.98 1m1jE1 THR 133 HB -0.01 0.09 -0.06 -0.04 4.32 4.30 1m1jE1 THR 133 HG23 -0.01 0.00 0.03 -0.04 1.22 1.20 1m1jE1 GLN 134 H -0.01 0.02 -1.32 -0.55 8.47 6.62 1m1jE1 GLN 134 HA -0.01 0.13 0.66 -0.75 4.36 4.40 1m1jE1 GLN 134 HB2 -0.01 0.03 -0.05 -0.04 2.15 2.08 1m1jE1 GLN 134 HB3 -0.01 0.02 -0.24 -0.04 2.02 1.75 1m1jE1 GLN 134 HG2 -0.00 0.04 0.02 -0.04 2.40 2.42 1m1jE1 GLN 134 HG3 -0.00 0.00 -0.34 -0.04 2.39 2.01 1m1jE1 GLN 134 HE21 -0.00 -0.03 0.03 -0.04 6.97 6.93 1m1jE1 GLN 134 HE22 -0.00 0.05 0.03 -0.04 7.69 7.73 1m1jE1 LYS 135 H -0.01 0.30 -0.03 -0.55 8.42 8.13 1m1jE1 LYS 135 HA -0.00 0.11 0.77 -0.75 4.32 4.44 1m1jE1 LYS 135 HB2 -0.00 0.14 0.21 -0.04 1.87 2.17 1m1jE1 LYS 135 HB3 -0.01 -0.03 0.38 -0.04 1.79 2.09 1m1jE1 LYS 135 HG2 -0.00 -0.06 -0.16 -0.04 1.46 1.19 1m1jE1 LYS 135 HG3 -0.00 -0.01 0.06 -0.04 1.46 1.46 1m1jE1 LYS 135 HD2 -0.01 -0.01 0.04 -0.04 1.69 1.67 1m1jE1 LYS 135 HD3 -0.00 -0.02 -0.00 -0.04 1.68 1.61 1m1jE1 LYS 135 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.94 1m1jE1 LYS 135 HE3 -0.00 -0.01 0.02 -0.04 2.99 2.96 1m1jE1 GLN 136 H -0.01 0.84 0.33 -0.55 8.47 9.08 1m1jE1 GLN 136 HA -0.01 0.01 0.37 -0.75 4.36 3.98 1m1jE1 GLN 136 HB2 -0.01 -0.01 0.09 -0.04 2.15 2.18 1m1jE1 GLN 136 HB3 -0.01 0.04 -0.03 -0.04 2.02 1.98 1m1jE1 GLN 136 HG2 -0.01 0.01 -0.03 -0.04 2.40 2.32 1m1jE1 GLN 136 HG3 -0.01 0.00 -0.15 -0.04 2.39 2.19 1m1jE1 GLN 136 HE21 -0.01 0.01 0.02 -0.04 6.97 6.95 1m1jE1 GLN 136 HE22 -0.01 0.01 0.01 -0.04 7.69 7.66 1m1jE1 ARG 137 H -0.01 0.11 -1.01 -0.55 8.46 7.00 1m1jE1 ARG 137 HA -0.01 0.08 0.63 -0.75 4.34 4.28 1m1jE1 ARG 137 HB2 -0.01 0.12 -0.03 -0.04 1.90 1.94 1m1jE1 ARG 137 HB3 -0.00 0.10 -0.08 -0.04 1.80 1.78 1m1jE1 ARG 137 HG2 -0.00 -0.04 -0.12 -0.04 1.67 1.47 1m1jE1 ARG 137 HG3 -0.00 -0.05 0.00 -0.04 1.67 1.58 1m1jE1 ARG 137 HD2 -0.01 0.04 0.01 -0.04 3.22 3.23 1m1jE1 ARG 137 HD3 -0.00 0.04 -0.01 -0.04 3.22 3.20 1m1jE1 LYS 138 H -0.00 0.31 -0.13 -0.55 8.42 8.03 1m1jE1 LYS 138 HA -0.00 0.03 0.42 -0.75 4.32 4.02 1m1jE1 LYS 138 HB2 -0.00 0.15 0.25 -0.04 1.87 2.23 1m1jE1 LYS 138 HB3 -0.00 0.07 0.23 -0.04 1.79 2.06 1m1jE1 LYS 138 HG2 -0.00 -0.01 0.04 -0.04 1.46 1.45 1m1jE1 LYS 138 HG3 0.00 -0.05 -0.09 -0.04 1.46 1.28 1m1jE1 LYS 138 HD2 0.00 -0.03 0.06 -0.04 1.69 1.68 1m1jE1 LYS 138 HD3 0.00 -0.03 0.13 -0.04 1.68 1.74 1m1jE1 LYS 138 HE2 -0.00 0.08 0.09 -0.04 2.99 3.11 1m1jE1 LYS 138 HE3 -0.00 -0.00 0.05 -0.04 2.99 3.00 1m1jE1 ASP 139 H -0.00 0.37 -0.38 -0.55 8.40 7.85 1m1jE1 ASP 139 HA -0.00 0.09 0.59 -0.75 4.63 4.56 1m1jE1 ASP 139 HB2 -0.01 0.05 0.07 -0.04 2.71 2.78 1m1jE1 ASP 139 HB3 -0.00 -0.03 -0.01 -0.04 2.70 2.62 1m1jE1 ASN 140 H -0.01 0.45 -0.04 -0.55 8.53 8.39 1m1jE1 ASN 140 HA -0.01 -0.03 0.37 -0.75 4.76 4.33 1m1jE1 ASN 140 HB2 -0.01 0.10 0.28 -0.04 2.88 3.21 1m1jE1 ASN 140 HB3 -0.01 -0.03 0.04 -0.04 2.79 2.74 1m1jE1 ASN 140 HD21 -0.02 -0.09 0.04 -0.04 7.03 6.92 1m1jE1 ASN 140 HD22 -0.01 0.02 0.00 -0.04 7.74 7.71 1m1jE1 ASP 141 H 0.00 0.42 -0.66 -0.55 8.40 7.61 1m1jE1 ASP 141 HA 0.01 0.05 0.50 -0.75 4.63 4.43 1m1jE1 ASP 141 HB2 0.00 0.16 0.08 -0.04 2.71 2.91 1m1jE1 ASP 141 HB3 0.01 -0.05 -0.03 -0.04 2.70 2.59 1m1jE1 ILE 142 H 0.01 0.42 -0.00 -0.55 8.25 8.13 1m1jE1 ILE 142 HA 0.02 0.06 0.65 -0.75 4.18 4.16 1m1jE1 ILE 142 HB 0.01 0.10 0.17 -0.04 1.89 2.13 1m1jE1 ILE 142 HG12 0.01 -0.03 0.05 -0.04 1.49 1.47 1m1jE1 ILE 142 HG13 0.01 0.11 0.11 -0.04 1.21 1.39 1m1jE1 ILE 142 HG23 0.01 -0.02 -0.03 -0.04 0.93 0.86 1m1jE1 ILE 142 HD13 0.01 -0.00 0.05 -0.04 0.88 0.89 1m1jE1 ILE 143 H 0.01 0.58 -0.08 -0.55 8.25 8.21 1m1jE1 ILE 143 HA 0.02 0.03 0.37 -0.75 4.18 3.84 1m1jE1 ILE 143 HB -0.00 0.10 0.08 -0.04 1.89 2.03 1m1jE1 ILE 143 HG12 -0.00 -0.02 -0.01 -0.04 1.49 1.42 1m1jE1 ILE 143 HG13 -0.00 0.17 -0.10 -0.04 1.21 1.24 1m1jE1 ILE 143 HG23 -0.02 -0.01 -0.12 -0.04 0.93 0.74 1m1jE1 ILE 143 HD13 -0.01 -0.01 -0.09 -0.04 0.88 0.72 1m1jE1 LEU 144 H 0.02 0.44 -0.31 -0.55 8.37 7.97 1m1jE1 LEU 144 HA 0.10 0.04 0.49 -0.75 4.35 4.23 1m1jE1 LEU 144 HB2 0.03 0.16 0.14 -0.04 1.64 1.94 1m1jE1 LEU 144 HB3 0.06 -0.05 0.02 -0.04 1.64 1.63 1m1jE1 LEU 144 HG -0.00 0.10 0.09 -0.04 1.64 1.79 1m1jE1 LEU 144 HD13 0.01 -0.01 0.01 -0.04 0.93 0.89 1m1jE1 LEU 144 HD23 -0.01 -0.02 -0.00 -0.04 0.89 0.82 1m1jE1 SER 145 H 0.04 0.29 -0.27 -0.55 8.46 7.97 1m1jE1 SER 145 HA 0.03 0.01 0.44 -0.75 4.49 4.23 1m1jE1 SER 145 HB2 0.02 0.12 0.21 -0.04 3.95 4.26 1m1jE1 SER 145 HB3 0.02 0.10 0.32 -0.04 3.93 4.33 1m1jE1 GLU 146 H 0.05 0.71 -0.06 -0.55 8.60 8.75 1m1jE1 GLU 146 HA 0.02 0.01 0.48 -0.75 4.29 4.05 1m1jE1 GLU 146 HB2 0.03 0.01 0.11 -0.04 2.09 2.19 1m1jE1 GLU 146 HB3 0.05 0.11 0.09 -0.04 1.99 2.21 1m1jE1 GLU 146 HG2 0.04 0.00 -0.15 -0.04 2.34 2.19 1m1jE1 GLU 146 HG3 0.02 -0.05 0.06 -0.04 2.34 2.33 1m1jE1 TYR 147 H 0.16 0.38 -0.29 -0.55 8.29 7.99 1m1jE1 TYR 147 HA -0.00 0.04 0.44 -0.75 4.56 4.28 1m1jE1 TYR 147 HB2 -0.01 0.03 0.13 -0.04 3.06 3.17 1m1jE1 TYR 147 HB3 -0.00 0.08 0.17 -0.04 2.98 3.19 1m1jE1 TYR 147 HD2 -0.01 0.02 -0.04 -0.04 7.15 7.08 1m1jE1 TYR 147 HE2 -0.01 -0.01 -0.02 -0.04 6.85 6.78 1m1jE1 ASN 148 H 0.06 0.45 -0.32 -0.55 8.53 8.17 1m1jE1 ASN 148 HA -0.17 0.09 0.64 -0.75 4.76 4.57 1m1jE1 ASN 148 HB2 0.05 0.08 0.11 -0.04 2.88 3.07 1m1jE1 ASN 148 HB3 0.01 0.09 0.20 -0.04 2.79 3.05 1m1jE1 ASN 148 HD21 -0.01 -0.02 -0.01 -0.04 7.03 6.95 1m1jE1 ASN 148 HD22 0.02 0.02 0.00 -0.04 7.74 7.74 1m1jE1 THR 149 H -0.00 0.77 0.15 -0.55 8.28 8.65 1m1jE1 THR 149 HA -0.00 0.01 0.44 -0.75 4.39 4.08 1m1jE1 THR 149 HB 0.01 0.07 0.17 -0.04 4.32 4.52 1m1jE1 THR 149 HG23 0.01 -0.00 0.08 -0.04 1.22 1.26 1m1jE1 GLU 150 H -0.05 0.40 -0.56 -0.55 8.60 7.84 1m1jE1 GLU 150 HA -0.01 -0.00 0.50 -0.75 4.29 4.03 1m1jE1 GLU 150 HB2 -0.02 0.03 0.11 -0.04 2.09 2.17 1m1jE1 GLU 150 HB3 -0.08 0.11 0.10 -0.04 1.99 2.07 1m1jE1 GLU 150 HG2 -0.05 -0.10 0.09 -0.04 2.34 2.24 1m1jE1 GLU 150 HG3 -0.04 -0.03 0.02 -0.04 2.34 2.25 1m1jE1 MET 151 H -0.13 0.34 -0.54 -0.55 8.47 7.59 1m1jE1 MET 151 HA -0.02 0.04 0.48 -0.75 4.52 4.27 1m1jE1 MET 151 HB2 -0.36 0.17 0.25 -0.04 2.15 2.16 1m1jE1 MET 151 HB3 -0.13 0.14 0.16 -0.04 2.03 2.16 1m1jE1 MET 151 HG2 -0.16 -0.03 0.04 -0.04 2.63 2.44 1m1jE1 MET 151 HG3 -0.12 -0.05 0.01 -0.04 2.56 2.36 1m1jE1 MET 151 HE3 -0.31 0.01 0.02 -0.04 2.10 1.77 1m1jE1 GLU 152 H -0.00 0.28 -0.48 -0.55 8.60 7.86 1m1jE1 GLU 152 HA 0.09 0.07 0.47 -0.75 4.29 4.17 1m1jE1 GLU 152 HB2 0.03 0.20 0.29 -0.04 2.09 2.56 1m1jE1 GLU 152 HB3 0.04 -0.05 0.07 -0.04 1.99 2.01 1m1jE1 GLU 152 HG2 -0.00 0.19 0.09 -0.04 2.34 2.57 1m1jE1 GLU 152 HG3 0.01 -0.03 0.09 -0.04 2.34 2.37 1m1jE1 LEU 153 H 0.05 0.36 0.09 -0.55 8.37 8.32 1m1jE1 LEU 153 HA 0.05 0.01 0.39 -0.75 4.35 4.05 1m1jE1 LEU 153 HB2 0.03 0.06 0.17 -0.04 1.64 1.87 1m1jE1 LEU 153 HB3 0.05 0.07 -0.03 -0.04 1.64 1.69 1m1jE1 LEU 153 HG 0.02 0.02 0.03 -0.04 1.64 1.67 1m1jE1 LEU 153 HD13 0.04 -0.01 0.05 -0.04 0.93 0.96 1m1jE1 LEU 153 HD23 0.02 -0.00 0.03 -0.04 0.89 0.91 1m1jE1 HIS 154 H 0.15 0.31 -0.56 -0.55 8.41 7.76 1m1jE1 HIS 154 HA 0.04 0.05 0.55 -0.75 4.63 4.51 1m1jE1 HIS 154 HB2 -0.01 -0.01 0.10 -0.04 3.26 3.30 1m1jE1 HIS 154 HB3 0.00 0.17 0.11 -0.04 3.20 3.44 1m1jE1 HIS 154 HD2 0.01 0.02 -0.03 -0.04 6.97 6.93 1m1jE1 HIS 154 HE1 -0.02 -0.03 0.05 -0.04 7.75 7.70 1m1jE1 TYR 155 H 0.15 0.49 -0.44 -0.55 8.29 7.94 1m1jE1 TYR 155 HA -0.11 0.12 0.87 -0.75 4.56 4.68 1m1jE1 TYR 155 HB2 -0.03 0.13 0.16 -0.04 3.06 3.27 1m1jE1 TYR 155 HB3 -0.02 0.11 0.30 -0.04 2.98 3.33 1m1jE1 TYR 155 HD2 -0.03 0.00 0.03 -0.04 7.15 7.10 1m1jE1 TYR 155 HE2 -0.02 -0.01 -0.03 -0.04 6.85 6.75 1m1jE1 ASN 156 H 0.03 0.61 0.15 -0.55 8.53 8.78 1m1jE1 ASN 156 HA -0.29 0.04 0.33 -0.75 4.76 4.09 1m1jE1 ASN 156 HB2 -0.00 0.08 0.05 -0.04 2.88 2.97 1m1jE1 ASN 156 HB3 -0.06 -0.06 0.10 -0.04 2.79 2.74 1m1jE1 ASN 156 HD21 0.05 -0.06 -0.18 -0.04 7.03 6.79 1m1jE1 ASN 156 HD22 0.03 -0.06 -0.20 -0.04 7.74 7.47 1m1jE1 TYR 157 H 0.05 0.22 -0.82 -0.55 8.29 7.19 1m1jE1 TYR 157 HA -0.07 0.03 0.46 -0.75 4.56 4.23 1m1jE1 TYR 157 HB2 -0.04 0.07 0.08 -0.04 3.06 3.12 1m1jE1 TYR 157 HB3 -0.13 0.13 -0.04 -0.04 2.98 2.90 1m1jE1 TYR 157 HD2 -0.08 0.04 0.00 -0.04 7.15 7.07 1m1jE1 TYR 157 HE2 -0.02 -0.00 -0.02 -0.04 6.85 6.77 1m1jE1 ILE 158 H -0.11 0.37 -0.14 -0.55 8.25 7.81 1m1jE1 ILE 158 HA -0.44 -0.01 0.42 -0.75 4.18 3.40 1m1jE1 ILE 158 HB -0.15 0.14 0.15 -0.04 1.89 1.98 1m1jE1 ILE 158 HG12 -0.00 -0.06 0.06 -0.04 1.49 1.44 1m1jE1 ILE 158 HG13 0.04 0.06 0.15 -0.04 1.21 1.41 1m1jE1 ILE 158 HG23 -0.08 -0.02 0.16 -0.04 0.93 0.95 1m1jE1 ILE 158 HD13 0.04 -0.00 0.10 -0.04 0.88 0.97 1m1jE1 LYS 159 H -0.27 0.23 -1.44 -0.55 8.42 6.38 1m1jE1 LYS 159 HA -0.22 0.17 0.85 -0.75 4.32 4.36 1m1jE1 LYS 159 HB2 -0.26 -0.01 0.15 -0.04 1.87 1.71 1m1jE1 LYS 159 HB3 -0.21 -0.02 -0.04 -0.04 1.79 1.48 1m1jE1 LYS 159 HG2 -0.47 0.03 -0.11 -0.04 1.46 0.87 1m1jE1 LYS 159 HG3 -0.85 0.14 -0.49 -0.04 1.46 0.23 1m1jE1 LYS 159 HD2 -1.39 0.01 -0.17 -0.04 1.69 0.10 1m1jE1 LYS 159 HD3 -0.48 -0.09 -0.16 -0.04 1.68 0.91 1m1jE1 LYS 159 HE2 -0.05 -0.01 -0.05 -0.04 2.99 2.83 1m1jE1 LYS 159 HE3 -0.15 -0.01 -0.05 -0.04 2.99 2.74 1m1jE1 ASP 160 H -0.15 1.04 0.32 -0.55 8.40 9.06 1m1jE1 ASP 160 HA -0.08 0.02 0.36 -0.75 4.63 4.18 1m1jE1 ASP 160 HB2 -0.05 0.03 0.17 -0.04 2.71 2.81 1m1jE1 ASP 160 HB3 -0.06 0.02 0.15 -0.04 2.70 2.77 1m1jE1 ASN 161 H -0.21 0.34 -0.36 -0.55 8.53 7.76 1m1jE1 ASN 161 HA -0.11 -0.00 0.55 -0.75 4.76 4.45 1m1jE1 ASN 161 HB2 -0.34 0.15 0.17 -0.04 2.88 2.82 1m1jE1 ASN 161 HB3 -0.19 -0.03 0.06 -0.04 2.79 2.59 1m1jE1 ASN 161 HD21 -0.20 -0.00 0.01 -0.04 7.03 6.79 1m1jE1 ASN 161 HD22 -0.53 0.01 0.01 -0.04 7.74 7.18 1m1jE1 LEU 162 H -0.17 0.18 -0.08 -0.55 8.37 7.76 1m1jE1 LEU 162 HA -0.08 -0.05 0.33 -0.75 4.35 3.80 1m1jE1 LEU 162 HB2 -0.12 0.12 0.07 -0.04 1.64 1.66 1m1jE1 LEU 162 HB3 -0.08 0.03 0.03 -0.04 1.64 1.59 1m1jE1 LEU 162 HG -0.07 -0.01 0.07 -0.04 1.64 1.59 1m1jE1 LEU 162 HD13 -0.12 -0.03 0.02 -0.04 0.93 0.76 1m1jE1 LEU 162 HD23 -0.07 0.04 0.06 -0.04 0.89 0.88 1m1jE1 ASP 163 H -0.09 0.48 -0.68 -0.55 8.40 7.56 1m1jE1 ASP 163 HA -0.05 0.14 0.80 -0.75 4.63 4.77 1m1jE1 ASP 163 HB2 -0.07 0.06 -0.07 -0.04 2.71 2.59 1m1jE1 ASP 163 HB3 -0.05 -0.05 -0.02 -0.04 2.70 2.54 1m1jE1 ASN 164 H -0.06 0.40 0.06 -0.55 8.53 8.39 1m1jE1 ASN 164 HA -0.03 0.00 0.36 -0.75 4.76 4.34 1m1jE1 ASN 164 HB2 -0.03 -0.07 0.26 -0.04 2.88 3.01 1m1jE1 ASN 164 HB3 -0.03 0.18 0.10 -0.04 2.79 3.00 1m1jE1 ASN 164 HD21 -0.03 -0.04 0.01 -0.04 7.03 6.93 1m1jE1 ASN 164 HD22 -0.02 -0.03 0.07 -0.04 7.74 7.72 1m1jE1 ASN 165 H -0.05 0.44 0.26 -0.55 8.53 8.63 1m1jE1 ASN 165 HA -0.03 0.19 0.93 -0.75 4.76 5.10 1m1jE1 ASN 165 HB2 -0.06 -0.09 0.40 -0.04 2.88 3.08 1m1jE1 ASN 165 HB3 -0.04 -0.02 0.09 -0.04 2.79 2.78 1m1jE1 ASN 165 HD21 -0.02 -0.00 -0.13 -0.04 7.03 6.84 1m1jE1 ASN 165 HD22 -0.05 -0.08 -0.10 -0.04 7.74 7.47 1m1jE1 ILE 166 H -0.06 0.23 0.13 -0.55 8.25 8.00 1m1jE1 ILE 166 HA -0.03 0.04 0.38 -0.75 4.18 3.82 1m1jE1 ILE 166 HB -0.05 0.10 -0.00 -0.04 1.89 1.89 1m1jE1 ILE 166 HG12 -0.04 0.01 0.04 -0.04 1.49 1.45 1m1jE1 ILE 166 HG13 -0.07 -0.07 -0.00 -0.04 1.21 1.02 1m1jE1 ILE 166 HG23 -0.03 0.01 -0.10 -0.04 0.93 0.77 1m1jE1 ILE 166 HD13 -0.06 0.02 -0.02 -0.04 0.88 0.77 1m1jE1 PRO 167 HA -0.02 0.07 0.40 -0.51 4.44 4.38 1m1jE1 PRO 167 HB2 -0.03 0.02 -0.12 -0.04 2.28 2.11 1m1jE1 PRO 167 HB3 -0.02 0.06 -0.01 -0.04 2.02 2.01 1m1jE1 PRO 167 HG2 -0.04 0.22 -0.32 -0.04 2.03 1.86 1m1jE1 PRO 167 HG3 -0.04 0.07 -0.04 -0.04 2.03 1.98 1m1jE1 PRO 167 HD2 -0.04 -0.27 -0.10 -0.04 3.68 3.23 1m1jE1 PRO 167 HD3 -0.05 0.10 0.02 -0.04 3.65 3.67 1m1jE1 SER 168 H -0.02 0.25 -0.40 -0.55 8.46 7.74 1m1jE1 SER 168 HA -0.02 0.07 0.55 -0.75 4.49 4.34 1m1jE1 SER 168 HB2 -0.02 0.12 0.03 -0.04 3.95 4.05 1m1jE1 SER 168 HB3 -0.01 -0.04 0.04 -0.04 3.93 3.88 1m1jE1 SER 169 H -0.02 0.59 -0.10 -0.55 8.46 8.39 1m1jE1 SER 169 HA -0.01 0.07 0.55 -0.75 4.49 4.34 1m1jE1 SER 169 HB2 -0.01 -0.02 0.06 -0.04 3.95 3.94 1m1jE1 SER 169 HB3 -0.01 0.03 0.04 -0.04 3.93 3.95 1m1jE1 LEU 170 H -0.02 0.51 -0.17 -0.55 8.37 8.15 1m1jE1 LEU 170 HA -0.01 0.04 0.47 -0.75 4.35 4.09 1m1jE1 LEU 170 HB2 -0.02 0.11 0.14 -0.04 1.64 1.83 1m1jE1 LEU 170 HB3 -0.02 -0.04 0.02 -0.04 1.64 1.57 1m1jE1 LEU 170 HG -0.02 0.29 0.12 -0.04 1.64 1.99 1m1jE1 LEU 170 HD13 -0.02 -0.02 -0.05 -0.04 0.93 0.80 1m1jE1 LEU 170 HD23 -0.01 -0.02 -0.02 -0.04 0.89 0.79 1m1jE1 ARG 171 H -0.01 0.38 -0.23 -0.55 8.46 8.04 1m1jE1 ARG 171 HA -0.01 0.05 0.48 -0.75 4.34 4.11 1m1jE1 ARG 171 HB2 -0.01 0.04 0.13 -0.04 1.90 2.01 1m1jE1 ARG 171 HB3 -0.01 0.08 0.20 -0.04 1.80 2.02 1m1jE1 ARG 171 HG2 -0.01 0.01 -0.25 -0.04 1.67 1.38 1m1jE1 ARG 171 HG3 -0.01 -0.06 0.00 -0.04 1.67 1.56 1m1jE1 ARG 171 HD2 -0.01 -0.02 -0.02 -0.04 3.22 3.14 1m1jE1 ARG 171 HD3 -0.01 0.00 0.01 -0.04 3.22 3.18 1m1jE1 VAL 172 H -0.01 0.47 -0.16 -0.55 8.24 7.98 1m1jE1 VAL 172 HA -0.01 0.05 0.50 -0.75 4.13 3.91 1m1jE1 VAL 172 HB -0.01 0.04 0.14 -0.04 2.12 2.24 1m1jE1 VAL 172 HG13 -0.01 0.06 0.14 -0.04 0.97 1.12 1m1jE1 VAL 172 HG23 -0.01 -0.02 -0.01 -0.04 0.95 0.87 1m1jE1 LEU 173 H -0.01 0.47 -0.26 -0.55 8.37 8.02 1m1jE1 LEU 173 HA -0.01 0.03 0.54 -0.75 4.35 4.15 1m1jE1 LEU 173 HB2 -0.01 0.25 0.21 -0.04 1.64 2.04 1m1jE1 LEU 173 HB3 -0.01 -0.04 -0.02 -0.04 1.64 1.53 1m1jE1 LEU 173 HG -0.01 -0.05 0.06 -0.04 1.64 1.60 1m1jE1 LEU 173 HD13 -0.01 0.04 0.00 -0.04 0.93 0.92 1m1jE1 LEU 173 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 1m1jE1 ARG 174 H -0.01 0.40 -0.34 -0.55 8.46 7.97 1m1jE1 ARG 174 HA -0.01 0.02 0.49 -0.75 4.34 4.08 1m1jE1 ARG 174 HB2 -0.01 0.12 0.17 -0.04 1.90 2.14 1m1jE1 ARG 174 HB3 -0.01 0.13 0.19 -0.04 1.80 2.07 1m1jE1 ARG 174 HG2 -0.00 -0.03 -0.13 -0.04 1.67 1.46 1m1jE1 ARG 174 HG3 -0.01 -0.04 0.06 -0.04 1.67 1.63 1m1jE1 ARG 174 HD2 -0.01 -0.03 -0.01 -0.04 3.22 3.14 1m1jE1 ARG 174 HD3 -0.01 0.00 0.01 -0.04 3.22 3.18 1m1jE1 ALA 175 H -0.01 0.44 -0.16 -0.55 8.40 8.14 1m1jE1 ALA 175 HA -0.00 0.01 0.35 -0.75 4.34 3.94 1m1jE1 ALA 175 HB3 -0.00 0.06 0.13 -0.04 1.41 1.55 1m1jE1 VAL 176 H -0.00 0.43 -0.22 -0.55 8.24 7.90 1m1jE1 VAL 176 HA -0.00 0.02 0.40 -0.75 4.13 3.79 1m1jE1 VAL 176 HB -0.01 0.06 0.16 -0.04 2.12 2.30 1m1jE1 VAL 176 HG13 -0.01 -0.02 -0.05 -0.04 0.97 0.86 1m1jE1 VAL 176 HG23 -0.01 0.10 0.09 -0.04 0.95 1.10 1m1jE1 ILE 177 H -0.00 0.66 -0.07 -0.55 8.25 8.29 1m1jE1 ILE 177 HA 0.00 -0.02 0.41 -0.75 4.18 3.82 1m1jE1 ILE 177 HB -0.01 0.10 0.20 -0.04 1.89 2.14 1m1jE1 ILE 177 HG12 -0.01 -0.07 0.07 -0.04 1.49 1.43 1m1jE1 ILE 177 HG13 -0.01 0.23 0.18 -0.04 1.21 1.57 1m1jE1 ILE 177 HG23 -0.03 -0.02 -0.07 -0.04 0.93 0.77 1m1jE1 ILE 177 HD13 -0.02 -0.03 -0.01 -0.04 0.88 0.78 1m1jE1 ASP 178 H 0.01 0.74 -0.17 -0.55 8.40 8.43 1m1jE1 ASP 178 HA 0.06 -0.00 0.49 -0.75 4.63 4.42 1m1jE1 ASP 178 HB2 0.02 -0.01 0.09 -0.04 2.71 2.77 1m1jE1 ASP 178 HB3 0.01 0.14 0.14 -0.04 2.70 2.95 1m1jE1 SER 179 H 0.01 0.51 -0.19 -0.55 8.46 8.25 1m1jE1 SER 179 HA 0.01 -0.00 0.52 -0.75 4.49 4.26 1m1jE1 SER 179 HB2 0.00 0.04 0.14 -0.04 3.95 4.08 1m1jE1 SER 179 HB3 0.00 0.14 0.22 -0.04 3.93 4.25 1m1jE1 LEU 180 H 0.02 0.60 -0.01 -0.55 8.37 8.43 1m1jE1 LEU 180 HA 0.01 0.01 0.45 -0.75 4.35 4.06 1m1jE1 LEU 180 HB2 0.02 0.12 0.15 -0.04 1.64 1.89 1m1jE1 LEU 180 HB3 0.02 -0.04 0.04 -0.04 1.64 1.61 1m1jE1 LEU 180 HG 0.00 0.14 0.06 -0.04 1.64 1.80 1m1jE1 LEU 180 HD13 -0.00 -0.02 -0.03 -0.04 0.93 0.84 1m1jE1 LEU 180 HD23 -0.01 -0.01 0.01 -0.04 0.89 0.84 1m1jE1 HIS 181 H 0.11 0.44 -0.31 -0.55 8.41 8.11 1m1jE1 HIS 181 HA -0.01 0.01 0.39 -0.75 4.63 4.26 1m1jE1 HIS 181 HB2 -0.01 0.08 0.16 -0.04 3.26 3.45 1m1jE1 HIS 181 HB3 -0.01 0.16 0.18 -0.04 3.20 3.49 1m1jE1 HIS 181 HD2 -0.01 0.02 -0.00 -0.04 6.97 6.93 1m1jE1 HIS 181 HE1 -0.01 -0.01 -0.00 -0.04 7.75 7.68 1m1jE1 LYS 182 H 0.01 0.50 -0.08 -0.55 8.42 8.29 1m1jE1 LYS 182 HA -0.19 -0.00 0.48 -0.75 4.32 3.85 1m1jE1 LYS 182 HB2 -0.03 0.11 0.23 -0.04 1.87 2.14 1m1jE1 LYS 182 HB3 -0.06 -0.05 0.05 -0.04 1.79 1.69 1m1jE1 LYS 182 HG2 -0.06 -0.06 0.07 -0.04 1.46 1.36 1m1jE1 LYS 182 HG3 -0.01 0.22 0.15 -0.04 1.46 1.79 1m1jE1 LYS 182 HD2 -0.01 0.01 0.02 -0.04 1.69 1.67 1m1jE1 LYS 182 HD3 -0.02 -0.04 0.03 -0.04 1.68 1.61 1m1jE1 LYS 182 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.93 1m1jE1 LYS 182 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 1m1jE1 LYS 183 H -0.03 0.64 -0.02 -0.55 8.42 8.45 1m1jE1 LYS 183 HA -0.04 -0.03 0.39 -0.75 4.32 3.89 1m1jE1 LYS 183 HB2 -0.02 0.13 0.19 -0.04 1.87 2.13 1m1jE1 LYS 183 HB3 -0.03 -0.03 -0.00 -0.04 1.79 1.69 1m1jE1 LYS 183 HG2 -0.03 -0.05 0.07 -0.04 1.46 1.41 1m1jE1 LYS 183 HG3 -0.02 0.06 0.08 -0.04 1.46 1.53 1m1jE1 LYS 183 HD2 -0.02 0.00 -0.01 -0.04 1.69 1.62 1m1jE1 LYS 183 HD3 -0.02 -0.00 0.01 -0.04 1.68 1.62 1m1jE1 LYS 183 HE2 -0.02 -0.01 0.00 -0.04 2.99 2.92 1m1jE1 LYS 183 HE3 -0.03 -0.01 -0.00 -0.04 2.99 2.91 1m1jE1 ILE 184 H -0.03 0.52 -0.37 -0.55 8.25 7.82 1m1jE1 ILE 184 HA -0.02 -0.01 0.45 -0.75 4.18 3.84 1m1jE1 ILE 184 HB 0.02 0.21 0.23 -0.04 1.89 2.31 1m1jE1 ILE 184 HG12 0.00 -0.08 0.04 -0.04 1.49 1.42 1m1jE1 ILE 184 HG13 0.01 0.36 0.12 -0.04 1.21 1.67 1m1jE1 ILE 184 HG23 0.01 -0.03 -0.08 -0.04 0.93 0.79 1m1jE1 ILE 184 HD13 0.04 -0.04 -0.04 -0.04 0.88 0.81 1m1jE1 GLN 185 H -0.14 0.58 -0.00 -0.55 8.47 8.36 1m1jE1 GLN 185 HA -0.09 -0.02 0.49 -0.75 4.36 3.98 1m1jE1 GLN 185 HB2 -0.21 0.14 0.30 -0.04 2.15 2.35 1m1jE1 GLN 185 HB3 -0.12 -0.06 0.02 -0.04 2.02 1.81 1m1jE1 GLN 185 HG2 -0.14 -0.06 0.06 -0.04 2.40 2.23 1m1jE1 GLN 185 HG3 -0.30 0.02 0.06 -0.04 2.39 2.14 1m1jE1 GLN 185 HE21 -0.14 -0.02 -0.01 -0.04 6.97 6.75 1m1jE1 GLN 185 HE22 -0.13 -0.01 -0.00 -0.04 7.69 7.50 1m1jE1 LYS 186 H -0.07 0.63 -0.04 -0.55 8.42 8.38 1m1jE1 LYS 186 HA -0.06 -0.02 0.40 -0.75 4.32 3.89 1m1jE1 LYS 186 HB2 -0.05 0.16 0.19 -0.04 1.87 2.12 1m1jE1 LYS 186 HB3 -0.05 -0.02 -0.02 -0.04 1.79 1.66 1m1jE1 LYS 186 HG2 -0.05 -0.04 0.06 -0.04 1.46 1.39 1m1jE1 LYS 186 HG3 -0.05 0.01 0.03 -0.04 1.46 1.41 1m1jE1 LYS 186 HD2 -0.04 -0.02 0.00 -0.04 1.69 1.59 1m1jE1 LYS 186 HD3 -0.04 0.01 0.01 -0.04 1.68 1.61 1m1jE1 LYS 186 HE2 -0.05 0.03 -0.02 -0.04 2.99 2.91 1m1jE1 LYS 186 HE3 -0.05 -0.02 0.01 -0.04 2.99 2.89 1m1jE1 LEU 187 H -0.05 0.48 -0.21 -0.55 8.37 8.04 1m1jE1 LEU 187 HA -0.05 -0.02 0.46 -0.75 4.35 3.99 1m1jE1 LEU 187 HB2 -0.03 0.17 0.19 -0.04 1.64 1.92 1m1jE1 LEU 187 HB3 -0.03 -0.06 0.05 -0.04 1.64 1.55 1m1jE1 LEU 187 HG -0.04 0.14 0.12 -0.04 1.64 1.81 1m1jE1 LEU 187 HD13 -0.03 -0.02 -0.01 -0.04 0.93 0.84 1m1jE1 LEU 187 HD23 -0.04 -0.02 0.02 -0.04 0.89 0.81 1m1jE1 GLU 188 H -0.05 0.56 -0.09 -0.55 8.60 8.48 1m1jE1 GLU 188 HA -0.03 -0.01 0.42 -0.75 4.29 3.92 1m1jE1 GLU 188 HB2 -0.04 0.13 0.29 -0.04 2.09 2.43 1m1jE1 GLU 188 HB3 -0.04 -0.04 0.02 -0.04 1.99 1.89 1m1jE1 GLU 188 HG2 -0.02 -0.04 0.05 -0.04 2.34 2.29 1m1jE1 GLU 188 HG3 -0.02 0.02 0.05 -0.04 2.34 2.35 1m1jE1 ASN 189 H -0.05 0.62 -0.04 -0.55 8.53 8.51 1m1jE1 ASN 189 HA -0.05 -0.01 0.42 -0.75 4.76 4.36 1m1jE1 ASN 189 HB2 -0.06 0.13 0.20 -0.04 2.88 3.11 1m1jE1 ASN 189 HB3 -0.06 -0.06 0.05 -0.04 2.79 2.68 1m1jE1 ASN 189 HD21 -0.05 -0.05 -0.03 -0.04 7.03 6.86 1m1jE1 ASN 189 HD22 -0.05 -0.02 0.01 -0.04 7.74 7.63 1m1jE1 ALA 190 H -0.07 0.68 -0.00 -0.55 8.40 8.47 1m1jE1 ALA 190 HA -0.10 -0.04 0.40 -0.75 4.34 3.84 1m1jE1 ALA 190 HB3 -0.07 0.03 0.14 -0.04 1.41 1.48 1m1jE1 ILE 191 H -0.06 0.66 -0.12 -0.55 8.25 8.18 1m1jE1 ILE 191 HA -0.06 -0.02 0.43 -0.75 4.18 3.78 1m1jE1 ILE 191 HB -0.04 0.15 0.16 -0.04 1.89 2.11 1m1jE1 ILE 191 HG12 -0.04 -0.06 0.05 -0.04 1.49 1.40 1m1jE1 ILE 191 HG13 -0.04 0.20 0.12 -0.04 1.21 1.45 1m1jE1 ILE 191 HG23 -0.03 -0.02 -0.05 -0.04 0.93 0.79 1m1jE1 ILE 191 HD13 -0.03 -0.02 -0.00 -0.04 0.88 0.79 1m1jE1 ALA 192 H -0.06 0.51 -0.16 -0.55 8.40 8.14 1m1jE1 ALA 192 HA -0.05 0.01 0.51 -0.75 4.34 4.05 1m1jE1 ALA 192 HB3 -0.05 0.00 0.15 -0.04 1.41 1.47 1m1jE1 THR 193 H -0.13 0.89 0.12 -0.55 8.28 8.61 1m1jE1 THR 193 HA -0.19 -0.00 0.44 -0.75 4.39 3.88 1m1jE1 THR 193 HB -0.26 0.12 0.14 -0.04 4.32 4.28 1m1jE1 THR 193 HG23 -0.71 -0.02 -0.09 -0.04 1.22 0.36 1m1jE1 GLN 194 H -0.20 0.61 -0.11 -0.55 8.47 8.22 1m1jE1 GLN 194 HA -0.26 0.00 0.44 -0.75 4.36 3.78 1m1jE1 GLN 194 HB2 -0.13 0.04 0.13 -0.04 2.15 2.15 1m1jE1 GLN 194 HB3 -0.08 0.08 0.10 -0.04 2.02 2.08 1m1jE1 GLN 194 HG2 -0.03 -0.02 -0.01 -0.04 2.40 2.31 1m1jE1 GLN 194 HG3 -0.01 0.01 -0.10 -0.04 2.39 2.25 1m1jE1 GLN 194 HE21 0.14 0.01 -0.02 -0.04 6.97 7.06 1m1jE1 GLN 194 HE22 0.07 0.01 -0.03 -0.04 7.69 7.70 1m1jE1 THR 195 H -0.08 0.45 -0.27 -0.55 8.28 7.83 1m1jE1 THR 195 HA -0.01 0.02 0.41 -0.75 4.39 4.05 1m1jE1 THR 195 HB -0.03 0.16 0.22 -0.04 4.32 4.62 1m1jE1 THR 195 HG23 -0.00 -0.03 -0.07 -0.04 1.22 1.08 1m1jE1 ASP 196 H -0.05 0.38 -0.31 -0.55 8.40 7.87 1m1jE1 ASP 196 HA 0.04 0.01 0.44 -0.75 4.63 4.37 1m1jE1 ASP 196 HB2 0.00 -0.00 0.14 -0.04 2.71 2.80 1m1jE1 ASP 196 HB3 -0.00 0.23 0.26 -0.04 2.70 3.14 1m1jE1 TYR 197 H 0.08 0.57 0.04 -0.55 8.29 8.42 1m1jE1 TYR 197 HA -0.01 -0.03 0.44 -0.75 4.56 4.21 1m1jE1 TYR 197 HB2 -0.01 0.09 0.16 -0.04 3.06 3.25 1m1jE1 TYR 197 HB3 -0.01 -0.04 0.10 -0.04 2.98 2.99 1m1jE1 TYR 197 HD2 -0.01 -0.04 -0.02 -0.04 7.15 7.04 1m1jE1 TYR 197 HE2 -0.01 -0.04 -0.00 -0.04 6.85 6.75 1m1jE1 CYS 198 H 0.08 0.31 -0.76 -0.55 8.50 7.58 1m1jE1 CYS 198 HA 0.06 0.19 0.76 -0.75 4.58 4.83 1m1jE1 CYS 198 HB2 0.03 0.09 0.13 -0.04 2.97 3.17 1m1jE1 CYS 198 HB3 0.03 -0.10 0.17 -0.04 2.97 3.02 1m1jE1 ARG 199 H 0.06 0.36 -0.47 -0.55 8.46 7.86 1m1jE1 ARG 199 HA 0.02 0.01 0.51 -0.75 4.34 4.13 1m1jE1 ARG 199 HB2 0.05 0.41 0.24 -0.04 1.90 2.56 1m1jE1 ARG 199 HB3 0.02 -0.08 -0.01 -0.04 1.80 1.69 1m1jE1 ARG 199 HG2 0.02 -0.09 0.04 -0.04 1.67 1.60 1m1jE1 ARG 199 HG3 0.02 -0.03 0.12 -0.04 1.67 1.74 1m1jE1 ARG 199 HD2 0.02 -0.10 0.04 -0.04 3.22 3.14 1m1jE1 ARG 199 HD3 0.03 0.09 0.09 -0.04 3.22 3.39 1m1jE1 SER 200 H 0.03 0.23 -0.11 -0.55 8.46 8.06 1m1jE1 SER 200 HA 0.01 0.16 0.84 -0.75 4.49 4.75 1m1jE1 SER 200 HB2 -0.00 0.01 0.01 -0.04 3.95 3.92 1m1jE1 SER 200 HB3 -0.00 0.02 0.06 -0.04 3.93 3.97 1m1jE1 PRO 201 HA 0.02 0.11 0.62 -0.51 4.44 4.68 1m1jE1 PRO 201 HB2 0.01 0.09 0.09 -0.04 2.28 2.44 1m1jE1 PRO 201 HB3 0.01 0.01 0.07 -0.04 2.02 2.07 1m1jE1 PRO 201 HG2 0.01 0.02 -0.06 -0.04 2.03 1.96 1m1jE1 PRO 201 HG3 0.01 -0.00 0.05 -0.04 2.03 2.04 1m1jE1 PRO 201 HD2 0.01 0.04 0.20 -0.04 3.68 3.88 1m1jE1 PRO 201 HD3 0.01 0.18 0.17 -0.04 3.65 3.96 1m1jE1 CYS 202 H 0.02 0.07 0.18 -0.55 8.50 8.21 1m1jE1 CYS 202 HA 0.00 0.12 0.64 -0.75 4.58 4.59 1m1jE1 CYS 202 HB2 0.01 0.01 0.10 -0.04 2.97 3.05 1m1jE1 CYS 202 HB3 0.01 0.04 0.11 -0.04 2.97 3.08 1m1jE1 VAL 203 H 0.00 0.14 0.17 -0.55 8.24 8.01 1m1jE1 VAL 203 HA 0.00 0.26 1.01 -0.75 4.13 4.65 1m1jE1 VAL 203 HB -0.00 -0.03 -0.04 -0.04 2.12 2.00 1m1jE1 VAL 203 HG13 0.00 -0.01 -0.04 -0.04 0.97 0.88 1m1jE1 VAL 203 HG23 -0.00 0.03 -0.18 -0.04 0.95 0.76 1m1jE1 ALA 204 H 0.00 0.28 0.11 -0.55 8.40 8.24 1m1jE1 ALA 204 HA 0.00 0.09 0.68 -0.75 4.34 4.35 1m1jE1 ALA 204 HB3 0.01 0.03 -0.05 -0.04 1.41 1.36 1m1jE1 SER 205 H -0.00 0.21 -0.07 -0.55 8.46 8.05 1m1jE1 SER 205 HA 0.00 0.21 0.84 -0.75 4.49 4.79 1m1jE1 SER 205 HB2 -0.00 0.01 0.13 -0.04 3.95 4.05 1m1jE1 SER 205 HB3 0.00 0.03 0.11 -0.04 3.93 4.03 1m1jE1 CYS 206 H 0.00 0.28 -0.29 -0.55 8.50 7.95 1m1jE1 CYS 206 HA 0.02 0.07 0.78 -0.75 4.58 4.70 1m1jE1 CYS 206 HB2 0.00 0.04 0.07 -0.04 2.97 3.04 1m1jE1 CYS 206 HB3 0.01 0.06 -0.03 -0.04 2.97 2.97 1m1jE1 ASN 207 H 0.02 0.30 0.06 -0.55 8.53 8.37 1m1jE1 ASN 207 HA -0.01 0.01 0.39 -0.75 4.76 4.40 1m1jE1 ASN 207 HB2 0.02 -0.02 0.06 -0.04 2.88 2.90 1m1jE1 ASN 207 HB3 -0.01 0.02 0.01 -0.04 2.79 2.77 1m1jE1 ASN 207 HD21 0.02 -0.05 0.08 -0.04 7.03 7.03 1m1jE1 ASN 207 HD22 0.04 0.17 0.14 -0.04 7.74 8.06 1m1jE1 ILE 208 H -0.03 0.06 0.13 -0.55 8.25 7.86 1m1jE1 ILE 208 HA -0.08 0.19 0.57 -0.75 4.18 4.11 1m1jE1 ILE 208 HB -0.03 -0.07 0.07 -0.04 1.89 1.81 1m1jE1 ILE 208 HG12 -0.02 -0.01 -0.05 -0.04 1.49 1.37 1m1jE1 ILE 208 HG13 -0.03 0.05 -0.09 -0.04 1.21 1.09 1m1jE1 ILE 208 HG23 -0.04 0.10 -0.15 -0.04 0.93 0.80 1m1jE1 ILE 208 HD13 -0.02 -0.04 0.05 -0.04 0.88 0.84 1m1jE1 PRO 209 HA -0.16 -0.02 0.44 -0.51 4.44 4.19 1m1jE1 PRO 209 HB2 -0.26 0.11 0.04 -0.04 2.28 2.13 1m1jE1 PRO 209 HB3 -0.31 -0.08 0.09 -0.04 2.02 1.67 1m1jE1 PRO 209 HG2 -0.92 0.17 0.09 -0.04 2.03 1.34 1m1jE1 PRO 209 HG3 -0.41 -0.06 0.03 -0.04 2.03 1.55 1m1jE1 PRO 209 HD2 -0.22 -0.01 0.25 -0.04 3.68 3.66 1m1jE1 PRO 209 HD3 -0.19 0.24 0.26 -0.04 3.65 3.92 1m1jE1 VAL 210 H -0.08 0.03 0.15 -0.55 8.24 7.80 1m1jE1 VAL 210 HA -0.04 0.14 0.46 -0.75 4.13 3.94 1m1jE1 VAL 210 HB -0.04 -0.07 0.12 -0.04 2.12 2.10 1m1jE1 VAL 210 HG13 -0.03 -0.00 -0.13 -0.04 0.97 0.78 1m1jE1 VAL 210 HG23 -0.04 0.00 0.03 -0.04 0.95 0.90 1m1jE1 VAL 211 H -0.00 -0.04 -0.04 -0.55 8.24 7.61 1m1jE1 VAL 211 HA -0.01 0.07 0.45 -0.75 4.13 3.89 1m1jE1 VAL 211 HB 0.00 -0.01 0.04 -0.04 2.12 2.11 1m1jE1 VAL 211 HG13 0.16 -0.04 -0.07 -0.04 0.97 0.98 1m1jE1 VAL 211 HG23 -0.02 0.01 -0.11 -0.04 0.95 0.78 1m1jE1 SER 212 H -0.02 0.23 0.23 -0.55 8.46 8.36 1m1jE1 SER 212 HA 0.00 0.12 0.62 -0.75 4.49 4.47 1m1jE1 SER 212 HB2 -0.00 0.12 -0.19 -0.04 3.95 3.84 1m1jE1 SER 212 HB3 -0.02 -0.04 -0.06 -0.04 3.93 3.77 1m1jE1 GLY 213 H -0.07 0.34 0.18 -0.55 8.43 8.34 1m1jE1 GLY 213 HA2 -0.06 0.14 0.34 -0.51 4.01 3.92 1m1jE1 GLY 213 HA3 -0.07 0.00 0.31 -0.51 4.01 3.75 1m1jE1 ARG 214 H -0.06 0.15 0.11 -0.55 8.46 8.11 1m1jE1 ARG 214 HA -0.05 0.27 0.15 -0.75 4.34 3.95 1m1jE1 ARG 214 HB2 -0.05 -0.12 0.16 -0.04 1.90 1.84 1m1jE1 ARG 214 HB3 -0.04 0.04 -0.02 -0.04 1.80 1.74 1m1jE1 ARG 214 HG2 -0.02 0.19 0.11 -0.04 1.67 1.91 1m1jE1 ARG 214 HG3 -0.03 -0.05 0.09 -0.04 1.67 1.63 1m1jE1 ARG 214 HD2 -0.01 0.05 0.05 -0.04 3.22 3.27 1m1jE1 ARG 214 HD3 -0.01 0.02 0.05 -0.04 3.22 3.24 1m1jE1 GLU 215 H -0.09 0.11 -0.02 -0.55 8.60 8.06 1m1jE1 GLU 215 HA -0.10 0.21 0.34 -0.75 4.29 3.98 1m1jE1 GLU 215 HB2 -0.07 -0.09 0.11 -0.04 2.09 2.00 1m1jE1 GLU 215 HB3 -0.04 0.20 0.09 -0.04 1.99 2.21 1m1jE1 GLU 215 HG2 -0.05 0.13 -0.08 -0.04 2.34 2.31 1m1jE1 GLU 215 HG3 -0.05 0.01 -0.37 -0.04 2.34 1.89 1m1jE1 CYS 216 H -0.09 0.24 0.02 -0.55 8.50 8.13 1m1jE1 CYS 216 HA -0.21 0.06 0.18 -0.75 4.58 3.86 1m1jE1 CYS 216 HB2 -0.09 0.15 -0.35 -0.04 2.97 2.63 1m1jE1 CYS 216 HB3 -0.13 -0.04 -0.34 -0.04 2.97 2.42 1m1jE1 GLU 217 H -0.17 0.18 -0.11 -0.55 8.60 7.96 1m1jE1 GLU 217 HA -0.19 0.06 0.48 -0.75 4.29 3.89 1m1jE1 GLU 217 HB2 -0.31 0.18 0.24 -0.04 2.09 2.15 1m1jE1 GLU 217 HB3 -0.19 -0.09 0.12 -0.04 1.99 1.79 1m1jE1 GLU 217 HG2 -0.32 0.06 0.01 -0.04 2.34 2.06 1m1jE1 GLU 217 HG3 -0.19 -0.05 -0.25 -0.04 2.34 1.81 1m1jE1 ASP 218 H -0.12 0.10 -0.24 -0.55 8.40 7.60 1m1jE1 ASP 218 HA -0.08 0.10 0.39 -0.75 4.63 4.28 1m1jE1 ASP 218 HB2 -0.08 -0.01 0.12 -0.04 2.71 2.70 1m1jE1 ASP 218 HB3 -0.09 0.01 0.10 -0.04 2.70 2.68 1m1jE1 ILE 219 H -0.13 0.38 -0.23 -0.55 8.25 7.72 1m1jE1 ILE 219 HA -0.11 0.06 0.19 -0.75 4.18 3.56 1m1jE1 ILE 219 HB -0.30 0.06 -0.02 -0.04 1.89 1.59 1m1jE1 ILE 219 HG12 -0.10 -0.02 -0.40 -0.04 1.49 0.93 1m1jE1 ILE 219 HG13 -0.14 -0.05 -0.30 -0.04 1.21 0.68 1m1jE1 ILE 219 HG23 -0.52 0.01 -0.27 -0.04 0.93 0.11 1m1jE1 ILE 219 HD13 -0.15 0.04 -0.17 -0.04 0.88 0.57 1m1jE1 TYR 220 H -0.03 0.60 -0.21 -0.55 8.29 8.09 1m1jE1 TYR 220 HA -0.13 0.22 0.36 -0.75 4.56 4.26 1m1jE1 TYR 220 HB2 -0.16 -0.12 0.09 -0.04 3.06 2.83 1m1jE1 TYR 220 HB3 -0.16 0.15 0.12 -0.04 2.98 3.05 1m1jE1 TYR 220 HD2 -0.09 0.04 -0.08 -0.04 7.15 6.97 1m1jE1 TYR 220 HE2 -0.03 -0.00 -0.04 -0.04 6.85 6.73 1m1jE1 ARG 221 H -0.02 0.45 -0.24 -0.55 8.46 8.10 1m1jE1 ARG 221 HA -0.11 0.04 0.47 -0.75 4.34 3.98 1m1jE1 ARG 221 HB2 -0.06 0.10 0.14 -0.04 1.90 2.03 1m1jE1 ARG 221 HB3 -0.06 -0.07 0.07 -0.04 1.80 1.70 1m1jE1 ARG 221 HG2 -0.03 0.20 0.05 -0.04 1.67 1.85 1m1jE1 ARG 221 HG3 -0.07 -0.08 -0.00 -0.04 1.67 1.48 1m1jE1 ARG 221 HD2 -0.02 -0.05 0.01 -0.04 3.22 3.12 1m1jE1 ARG 221 HD3 -0.00 0.02 0.01 -0.04 3.22 3.20 1m1jE1 LYS 222 H -0.10 0.30 -0.48 -0.55 8.42 7.58 1m1jE1 LYS 222 HA -0.08 0.09 0.64 -0.75 4.32 4.23 1m1jE1 LYS 222 HB2 -0.08 0.06 0.12 -0.04 1.87 1.93 1m1jE1 LYS 222 HB3 -0.06 -0.10 0.15 -0.04 1.79 1.75 1m1jE1 LYS 222 HG2 -0.05 -0.04 0.01 -0.04 1.46 1.34 1m1jE1 LYS 222 HG3 -0.06 0.13 -0.03 -0.04 1.46 1.46 1m1jE1 LYS 222 HD2 -0.06 0.05 -0.05 -0.04 1.69 1.59 1m1jE1 LYS 222 HD3 -0.05 -0.06 0.07 -0.04 1.68 1.60 1m1jE1 LYS 222 HE2 -0.04 -0.03 0.02 -0.04 2.99 2.89 1m1jE1 LYS 222 HE3 -0.05 -0.10 0.01 -0.04 2.99 2.80 1m1jE1 GLY 223 H -0.20 0.40 -0.54 -0.55 8.43 7.53 1m1jE1 GLY 223 HA2 -0.17 0.01 0.22 -0.51 4.01 3.55 1m1jE1 GLY 223 HA3 -0.10 0.15 0.87 -0.51 4.01 4.42 1m1jE1 GLY 224 H -0.10 0.48 -0.11 -0.55 8.43 8.15 1m1jE1 GLY 224 HA2 0.05 -0.05 0.44 -0.51 4.01 3.94 1m1jE1 GLY 224 HA3 0.00 0.01 0.18 -0.51 4.01 3.69 1m1jE1 GLU 225 H 0.00 0.12 0.27 -0.55 8.60 8.44 1m1jE1 GLU 225 HA 0.10 0.25 0.91 -0.75 4.29 4.80 1m1jE1 GLU 225 HB2 -0.02 -0.02 0.08 -0.04 2.09 2.09 1m1jE1 GLU 225 HB3 0.04 -0.05 0.07 -0.04 1.99 2.01 1m1jE1 GLU 225 HG2 -0.26 0.03 -0.13 -0.04 2.34 1.95 1m1jE1 GLU 225 HG3 -0.20 0.15 -0.39 -0.04 2.34 1.86 1m1jE1 THR 226 H 0.09 0.05 0.01 -0.55 8.28 7.88 1m1jE1 THR 226 HA 0.09 0.17 0.88 -0.75 4.39 4.78 1m1jE1 THR 226 HB 0.07 0.06 -0.01 -0.04 4.32 4.40 1m1jE1 THR 226 HG23 0.01 -0.01 -0.05 -0.04 1.22 1.14 1m1jE1 SER 227 H 0.11 0.11 0.15 -0.55 8.46 8.28 1m1jE1 SER 227 HA 0.05 0.24 0.68 -0.75 4.49 4.70 1m1jE1 SER 227 HB2 0.16 0.02 0.25 -0.04 3.95 4.34 1m1jE1 SER 227 HB3 0.22 0.10 0.14 -0.04 3.93 4.36 1m1jE1 GLU 228 H -0.15 0.39 0.33 -0.55 8.60 8.61 1m1jE1 GLU 228 HA -0.18 0.07 0.40 -0.75 4.29 3.82 1m1jE1 GLU 228 HB2 0.03 0.01 0.04 -0.04 2.09 2.13 1m1jE1 GLU 228 HB3 0.11 0.07 -0.18 -0.04 1.99 1.95 1m1jE1 GLU 228 HG2 -0.16 0.09 -0.40 -0.04 2.34 1.83 1m1jE1 GLU 228 HG3 -0.72 0.15 -0.37 -0.04 2.34 1.36 1m1jE1 MET 229 H -0.06 0.36 0.19 -0.55 8.47 8.41 1m1jE1 MET 229 HA -0.02 0.09 0.69 -0.75 4.52 4.52 1m1jE1 MET 229 HB2 0.09 -0.04 -0.02 -0.04 2.15 2.13 1m1jE1 MET 229 HB3 -0.01 -0.02 0.09 -0.04 2.03 2.05 1m1jE1 MET 229 HG2 0.02 0.13 0.00 -0.04 2.63 2.75 1m1jE1 MET 229 HG3 0.02 -0.12 -0.15 -0.04 2.56 2.28 1m1jE1 MET 229 HE3 -0.00 -0.00 -0.09 -0.04 2.10 1.97 1m1jE1 TYR 230 H 0.13 0.65 0.42 -0.55 8.29 8.94 1m1jE1 TYR 230 HA -0.07 0.18 0.79 -0.75 4.56 4.71 1m1jE1 TYR 230 HB2 -0.08 -0.05 -0.08 -0.04 3.06 2.81 1m1jE1 TYR 230 HB3 -0.08 0.09 0.06 -0.04 2.98 3.01 1m1jE1 TYR 230 HD2 -0.11 0.17 -0.09 -0.04 7.15 7.07 1m1jE1 TYR 230 HE2 -0.11 -0.06 -0.04 -0.04 6.85 6.60 1m1jE1 ILE 231 H 0.06 0.31 0.15 -0.55 8.25 8.22 1m1jE1 ILE 231 HA -0.05 0.30 0.90 -0.75 4.18 4.58 1m1jE1 ILE 231 HB -0.05 0.03 -0.16 -0.04 1.89 1.68 1m1jE1 ILE 231 HG12 -0.01 0.04 0.03 -0.04 1.49 1.50 1m1jE1 ILE 231 HG13 -0.03 -0.03 -0.11 -0.04 1.21 1.00 1m1jE1 ILE 231 HG23 -0.02 -0.03 -0.23 -0.04 0.93 0.61 1m1jE1 ILE 231 HD13 -0.02 -0.00 -0.11 -0.04 0.88 0.71 1m1jE1 ILE 232 H -0.30 0.59 0.28 -0.55 8.25 8.27 1m1jE1 ILE 232 HA -0.13 0.11 0.92 -0.75 4.18 4.32 1m1jE1 ILE 232 HB -0.19 0.22 -0.19 -0.04 1.89 1.69 1m1jE1 ILE 232 HG12 -0.48 0.08 -0.01 -0.04 1.49 1.04 1m1jE1 ILE 232 HG13 -0.81 -0.01 -0.14 -0.04 1.21 0.21 1m1jE1 ILE 232 HG23 -0.12 -0.08 -0.38 -0.04 0.93 0.31 1m1jE1 ILE 232 HD13 -0.17 -0.00 -0.03 -0.04 0.88 0.64 1m1jE1 GLN 233 H -0.12 0.59 0.04 -0.55 8.47 8.44 1m1jE1 GLN 233 HA -0.10 0.14 0.68 -0.75 4.36 4.33 1m1jE1 GLN 233 HB2 -0.06 0.00 -0.13 -0.04 2.15 1.92 1m1jE1 GLN 233 HB3 -0.06 -0.07 -0.02 -0.04 2.02 1.83 1m1jE1 GLN 233 HG2 -0.03 -0.12 -0.30 -0.04 2.40 1.90 1m1jE1 GLN 233 HG3 -0.00 0.23 -0.11 -0.04 2.39 2.47 1m1jE1 GLN 233 HE21 -0.04 -0.11 -0.04 -0.04 6.97 6.74 1m1jE1 GLN 233 HE22 -0.01 0.46 -0.00 -0.04 7.69 8.09 1m1jE1 PRO 234 HA -0.01 -0.01 0.54 -0.51 4.44 4.45 1m1jE1 PRO 234 HB2 0.10 -0.02 -0.04 -0.04 2.28 2.28 1m1jE1 PRO 234 HB3 0.04 0.01 0.07 -0.04 2.02 2.10 1m1jE1 PRO 234 HG2 0.18 0.00 0.03 -0.04 2.03 2.20 1m1jE1 PRO 234 HG3 -0.07 0.22 0.14 -0.04 2.03 2.28 1m1jE1 PRO 234 HD2 0.11 0.03 0.11 -0.04 3.68 3.90 1m1jE1 PRO 234 HD3 -0.29 0.14 -0.24 -0.04 3.65 3.21 1m1jE1 ASP 235 H 0.08 0.16 -0.15 -0.55 8.40 7.94 1m1jE1 ASP 235 HA 0.11 0.26 0.86 -0.75 4.63 5.10 1m1jE1 ASP 235 HB2 0.12 0.06 -0.02 -0.04 2.71 2.82 1m1jE1 ASP 235 HB3 0.13 0.01 0.11 -0.04 2.70 2.91 1m1jE1 PRO 236 HA -0.10 0.14 0.38 -0.51 4.44 4.35 1m1jE1 PRO 236 HB2 -0.44 -0.02 0.00 -0.04 2.28 1.78 1m1jE1 PRO 236 HB3 -0.22 0.02 0.10 -0.04 2.02 1.87 1m1jE1 PRO 236 HG2 0.02 0.01 0.08 -0.04 2.03 2.10 1m1jE1 PRO 236 HG3 -0.03 0.09 0.03 -0.04 2.03 2.07 1m1jE1 PRO 236 HD2 0.21 0.04 0.21 -0.04 3.68 4.10 1m1jE1 PRO 236 HD3 0.07 0.42 0.30 -0.04 3.65 4.39 1m1jE1 PHE 237 H 0.28 -0.02 -0.54 -0.55 8.34 7.50 1m1jE1 PHE 237 HA 0.02 0.22 0.83 -0.75 4.62 4.94 1m1jE1 PHE 237 HB2 0.02 -0.02 -0.04 -0.04 3.15 3.07 1m1jE1 PHE 237 HB3 0.02 -0.01 0.10 -0.04 3.06 3.13 1m1jE1 PHE 237 HD2 0.02 -0.01 -0.02 -0.04 7.28 7.22 1m1jE1 PHE 237 HE2 0.01 0.00 -0.03 -0.04 7.38 7.33 1m1jE1 PHE 237 HZ 0.01 -0.01 -0.03 -0.04 7.32 7.25 1m1jE1 THR 238 H 0.12 0.42 -0.21 -0.55 8.28 8.06 1m1jE1 THR 238 HA 0.10 0.12 0.91 -0.75 4.39 4.77 1m1jE1 THR 238 HB 0.13 0.01 0.05 -0.04 4.32 4.47 1m1jE1 THR 238 HG23 0.12 0.09 0.00 -0.04 1.22 1.39 1m1jE1 THR 239 H 0.08 0.04 0.12 -0.55 8.28 7.97 1m1jE1 THR 239 HA 0.04 0.08 0.43 -0.75 4.39 4.19 1m1jE1 THR 239 HB 0.07 -0.02 0.06 -0.04 4.32 4.39 1m1jE1 THR 239 HG23 0.04 0.05 0.05 -0.04 1.22 1.31 1m1jE1 PRO 240 HA -0.04 0.19 0.63 -0.51 4.44 4.71 1m1jE1 PRO 240 HB2 -0.02 -0.07 -0.04 -0.04 2.28 2.11 1m1jE1 PRO 240 HB3 -0.06 0.05 -0.14 -0.04 2.02 1.83 1m1jE1 PRO 240 HG2 -0.02 -0.02 0.01 -0.04 2.03 1.96 1m1jE1 PRO 240 HG3 -0.02 0.08 0.01 -0.04 2.03 2.06 1m1jE1 PRO 240 HD2 0.01 0.02 0.19 -0.04 3.68 3.86 1m1jE1 PRO 240 HD3 0.01 0.14 0.23 -0.04 3.65 3.99 1m1jE1 TYR 241 H -0.34 0.49 0.38 -0.55 8.29 8.26 1m1jE1 TYR 241 HA -0.01 0.13 0.87 -0.75 4.56 4.80 1m1jE1 TYR 241 HB2 -0.02 -0.01 0.15 -0.04 3.06 3.13 1m1jE1 TYR 241 HB3 -0.01 0.07 -0.10 -0.04 2.98 2.90 1m1jE1 TYR 241 HD2 -0.02 0.26 -0.09 -0.04 7.15 7.26 1m1jE1 TYR 241 HE2 -0.01 -0.05 -0.03 -0.04 6.85 6.72 1m1jE1 ARG 242 H 0.12 0.10 0.18 -0.55 8.46 8.30 1m1jE1 ARG 242 HA 0.00 0.28 0.78 -0.75 4.34 4.66 1m1jE1 ARG 242 HB2 0.01 -0.04 0.10 -0.04 1.90 1.93 1m1jE1 ARG 242 HB3 -0.00 -0.04 0.02 -0.04 1.80 1.74 1m1jE1 ARG 242 HG2 -0.00 0.06 -0.09 -0.04 1.67 1.60 1m1jE1 ARG 242 HG3 0.02 -0.04 -0.02 -0.04 1.67 1.59 1m1jE1 ARG 242 HD2 -0.00 -0.04 0.01 -0.04 3.22 3.15 1m1jE1 ARG 242 HD3 -0.00 0.01 -0.04 -0.04 3.22 3.14 1m1jE1 VAL 243 H 0.03 0.61 0.37 -0.55 8.24 8.71 1m1jE1 VAL 243 HA 0.01 0.03 0.45 -0.75 4.13 3.87 1m1jE1 VAL 243 HB 0.17 0.16 -0.12 -0.04 2.12 2.29 1m1jE1 VAL 243 HG13 -0.01 -0.02 -0.22 -0.04 0.97 0.68 1m1jE1 VAL 243 HG23 0.18 0.02 0.02 -0.04 0.95 1.14 1m1jE1 TYR 244 H 0.30 0.19 0.13 -0.55 8.29 8.37 1m1jE1 TYR 244 HA 0.14 0.15 0.68 -0.75 4.56 4.78 1m1jE1 TYR 244 HB2 0.15 0.09 -0.01 -0.04 3.06 3.25 1m1jE1 TYR 244 HB3 0.25 -0.05 0.07 -0.04 2.98 3.21 1m1jE1 TYR 244 HD2 0.11 -0.05 -0.45 -0.04 7.15 6.72 1m1jE1 TYR 244 HE2 0.08 -0.09 -0.55 -0.04 6.85 6.25 1m1jE1 CYS 245 H -0.31 0.60 0.27 -0.55 8.50 8.51 1m1jE1 CYS 245 HA 0.10 0.26 1.15 -0.75 4.58 5.33 1m1jE1 CYS 245 HB2 -0.14 0.06 0.08 -0.04 2.97 2.94 1m1jE1 CYS 245 HB3 -0.13 -0.02 -0.19 -0.04 2.97 2.59 1m1jE1 ASP 246 H 0.20 0.73 0.28 -0.55 8.40 9.06 1m1jE1 ASP 246 HA 0.23 0.08 0.71 -0.75 4.63 4.90 1m1jE1 ASP 246 HB2 0.20 0.06 0.06 -0.04 2.71 2.98 1m1jE1 ASP 246 HB3 0.24 0.03 0.20 -0.04 2.70 3.12 1m1jE1 MET 247 H 0.11 0.20 0.09 -0.55 8.47 8.32 1m1jE1 MET 247 HA -0.02 -0.00 0.93 -0.75 4.52 4.68 1m1jE1 MET 247 HB2 0.13 0.06 -0.35 -0.04 2.15 1.95 1m1jE1 MET 247 HB3 0.24 0.11 0.03 -0.04 2.03 2.37 1m1jE1 MET 247 HG2 0.06 0.03 -0.47 -0.04 2.63 2.20 1m1jE1 MET 247 HG3 0.09 0.15 -0.48 -0.04 2.56 2.28 1m1jE1 MET 247 HE3 -0.26 0.05 -0.14 -0.04 2.10 1.71 1m1jE1 GLU 248 H 0.09 -0.08 -0.07 -0.55 8.60 7.98 1m1jE1 GLU 248 HA 0.06 0.32 0.95 -0.75 4.29 4.85 1m1jE1 GLU 248 HB2 0.05 -0.05 0.07 -0.04 2.09 2.12 1m1jE1 GLU 248 HB3 0.04 0.03 0.02 -0.04 1.99 2.04 1m1jE1 GLU 248 HG2 0.07 0.15 -0.07 -0.04 2.34 2.45 1m1jE1 GLU 248 HG3 0.09 -0.15 -0.14 -0.04 2.34 2.10 1m1jE1 THR 249 H 0.06 -0.04 -0.03 -0.55 8.28 7.72 1m1jE1 THR 249 HA -0.02 0.08 0.50 -0.75 4.39 4.20 1m1jE1 THR 249 HB -0.17 0.00 0.02 -0.04 4.32 4.14 1m1jE1 THR 249 HG23 -0.32 0.02 -0.19 -0.04 1.22 0.69 1m1jE1 ASP 250 H 0.02 0.12 0.13 -0.55 8.40 8.13 1m1jE1 ASP 250 HA 0.08 0.01 0.32 -0.75 4.63 4.28 1m1jE1 ASP 250 HB2 0.06 -0.08 -0.06 -0.04 2.71 2.59 1m1jE1 ASP 250 HB3 0.59 0.11 -0.14 -0.04 2.70 3.21 1m1jE1 ASN 251 H 0.03 0.09 -0.15 -0.55 8.53 7.95 1m1jE1 ASN 251 HA -0.05 -0.02 0.20 -0.75 4.76 4.14 1m1jE1 ASN 251 HB2 -0.06 0.30 0.03 -0.04 2.88 3.11 1m1jE1 ASN 251 HB3 -0.09 -0.01 0.14 -0.04 2.79 2.79 1m1jE1 ASN 251 HD21 0.05 -0.05 -0.12 -0.04 7.03 6.87 1m1jE1 ASN 251 HD22 0.05 0.12 -0.22 -0.04 7.74 7.65 1m1jE1 GLY 252 H 0.01 -0.02 -0.94 -0.55 8.43 6.93 1m1jE1 GLY 252 HA2 -0.00 -0.12 0.01 -0.51 4.01 3.39 1m1jE1 GLY 252 HA3 -0.57 0.10 0.17 -0.51 4.01 3.20 1m1jE1 GLY 253 H -0.26 0.12 0.11 -0.55 8.43 7.85 1m1jE1 GLY 253 HA2 -0.23 -0.01 -0.08 -0.51 4.01 3.18 1m1jE1 GLY 253 HA3 -0.45 0.19 0.55 -0.51 4.01 3.79 1m1jE1 TRP 254 H 0.06 0.35 -0.13 -0.55 7.97 7.71 1m1jE1 TRP 254 HA -0.07 0.30 0.70 -0.75 4.62 4.79 1m1jE1 TRP 254 HB2 -0.05 -0.05 0.13 -0.04 3.23 3.23 1m1jE1 TRP 254 HB3 -0.04 -0.09 -0.12 -0.04 3.23 2.94 1m1jE1 TRP 254 HD1 -0.11 -0.02 -0.19 -0.04 7.22 6.86 1m1jE1 TRP 254 HE1 -0.10 0.16 -0.14 -0.04 10.20 10.08 1m1jE1 TRP 254 HE3 -0.08 -0.07 -0.61 -0.04 7.59 6.79 1m1jE1 TRP 254 HZ2 -0.06 0.00 -0.15 -0.04 7.44 7.19 1m1jE1 TRP 254 HZ3 -0.09 0.06 -0.31 -0.04 7.13 6.75 1m1jE1 TRP 254 HH2 -0.08 -0.04 -0.25 -0.04 7.19 6.78 1m1jE1 THR 255 H 0.12 0.80 0.39 -0.55 8.28 9.04 1m1jE1 THR 255 HA 0.10 0.15 0.82 -0.75 4.39 4.71 1m1jE1 THR 255 HB 0.06 0.02 0.27 -0.04 4.32 4.63 1m1jE1 THR 255 HG23 0.07 0.04 -0.08 -0.04 1.22 1.21 1m1jE1 LEU 256 H 0.21 0.42 0.28 -0.55 8.37 8.73 1m1jE1 LEU 256 HA 0.05 0.01 0.53 -0.75 4.35 4.19 1m1jE1 LEU 256 HB2 0.22 -0.03 0.08 -0.04 1.64 1.87 1m1jE1 LEU 256 HB3 0.32 -0.01 0.14 -0.04 1.64 2.06 1m1jE1 LEU 256 HG -0.22 -0.01 -0.19 -0.04 1.64 1.18 1m1jE1 LEU 256 HD13 -0.07 -0.00 -0.02 -0.04 0.93 0.79 1m1jE1 LEU 256 HD23 -0.05 -0.00 -0.07 -0.04 0.89 0.72 1m1jE1 ILE 257 H -0.06 0.68 0.55 -0.55 8.25 8.88 1m1jE1 ILE 257 HA -0.01 0.21 1.06 -0.75 4.18 4.68 1m1jE1 ILE 257 HB -0.30 -0.11 0.12 -0.04 1.89 1.56 1m1jE1 ILE 257 HG12 -0.07 0.20 0.02 -0.04 1.49 1.60 1m1jE1 ILE 257 HG13 -0.13 -0.04 -0.11 -0.04 1.21 0.88 1m1jE1 ILE 257 HG23 0.00 0.07 -0.09 -0.04 0.93 0.88 1m1jE1 ILE 257 HD13 -0.04 -0.02 -0.11 -0.04 0.88 0.68 1m1jE1 GLN 258 H -0.16 0.25 0.38 -0.55 8.47 8.40 1m1jE1 GLN 258 HA -0.04 0.42 0.93 -0.75 4.36 4.91 1m1jE1 GLN 258 HB2 0.23 0.03 -0.11 -0.04 2.15 2.26 1m1jE1 GLN 258 HB3 0.18 -0.13 0.09 -0.04 2.02 2.12 1m1jE1 GLN 258 HG2 0.63 0.11 0.09 -0.04 2.40 3.19 1m1jE1 GLN 258 HG3 0.92 -0.03 -0.06 -0.04 2.39 3.18 1m1jE1 GLN 258 HE21 -0.03 0.02 -0.27 -0.04 6.97 6.65 1m1jE1 GLN 258 HE22 0.06 0.04 -0.32 -0.04 7.69 7.42 1m1jE1 ASN 259 H -0.03 0.48 0.33 -0.55 8.53 8.76 1m1jE1 ASN 259 HA -0.10 0.18 0.91 -0.75 4.76 5.00 1m1jE1 ASN 259 HB2 -0.29 -0.01 -0.18 -0.04 2.88 2.36 1m1jE1 ASN 259 HB3 -0.29 0.05 0.11 -0.04 2.79 2.62 1m1jE1 ASN 259 HD21 -0.09 -0.05 -0.33 -0.04 7.03 6.51 1m1jE1 ASN 259 HD22 -0.05 0.59 -0.25 -0.04 7.74 8.00 1m1jE1 ARG 260 H -0.07 0.65 0.41 -0.55 8.46 8.90 1m1jE1 ARG 260 HA -0.03 0.02 0.92 -0.75 4.34 4.50 1m1jE1 ARG 260 HB2 -0.02 -0.06 0.08 -0.04 1.90 1.85 1m1jE1 ARG 260 HB3 0.08 -0.03 0.01 -0.04 1.80 1.82 1m1jE1 ARG 260 HG2 -0.15 -0.02 -0.24 -0.04 1.67 1.21 1m1jE1 ARG 260 HG3 -0.21 0.14 -0.05 -0.04 1.67 1.51 1m1jE1 ARG 260 HD2 -0.28 -0.14 0.10 -0.04 3.22 2.85 1m1jE1 ARG 260 HD3 -0.52 0.07 -0.21 -0.04 3.22 2.52 1m1jE1 GLN 261 H -0.07 -0.31 0.26 -0.55 8.47 7.80 1m1jE1 GLN 261 HA -0.03 0.33 0.67 -0.75 4.36 4.58 1m1jE1 GLN 261 HB2 -0.08 0.03 0.09 -0.04 2.15 2.14 1m1jE1 GLN 261 HB3 -0.07 0.11 -0.29 -0.04 2.02 1.72 1m1jE1 GLN 261 HG2 -0.05 -0.20 -0.18 -0.04 2.40 1.93 1m1jE1 GLN 261 HG3 -0.05 0.04 -0.26 -0.04 2.39 2.07 1m1jE1 GLN 261 HE21 -0.04 0.58 -0.18 -0.04 6.97 7.29 1m1jE1 GLN 261 HE22 -0.01 -0.14 -0.15 -0.04 7.69 7.34 1m1jE1 ASP 262 H -0.32 -0.39 0.29 -0.55 8.40 7.43 1m1jE1 ASP 262 HA -0.26 0.24 0.59 -0.75 4.63 4.44 1m1jE1 ASP 262 HB2 0.06 0.06 0.11 -0.04 2.71 2.89 1m1jE1 ASP 262 HB3 -0.02 0.16 -0.20 -0.04 2.70 2.60 1m1jE1 GLY 263 H -0.71 -0.18 0.23 -0.55 8.43 7.22 1m1jE1 GLY 263 HA2 -0.13 0.03 0.40 -0.51 4.01 3.80 1m1jE1 GLY 263 HA3 -0.27 0.17 0.43 -0.51 4.01 3.83 1m1jE1 SER 264 H -0.03 -0.08 -0.05 -0.55 8.46 7.75 1m1jE1 SER 264 HA 0.03 0.25 0.64 -0.75 4.49 4.67 1m1jE1 SER 264 HB2 0.04 0.05 0.07 -0.04 3.95 4.08 1m1jE1 SER 264 HB3 0.02 0.06 -0.04 -0.04 3.93 3.92 1m1jE1 VAL 265 H 0.16 -0.02 -0.06 -0.55 8.24 7.77 1m1jE1 VAL 265 HA 0.12 0.25 0.97 -0.75 4.13 4.72 1m1jE1 VAL 265 HB 0.39 -0.07 -0.04 -0.04 2.12 2.37 1m1jE1 VAL 265 HG13 0.16 0.04 -0.20 -0.04 0.97 0.93 1m1jE1 VAL 265 HG23 0.14 0.02 -0.08 -0.04 0.95 0.99 1m1jE1 ASN 266 H 0.08 0.16 0.10 -0.55 8.53 8.32 1m1jE1 ASN 266 HA 0.17 0.09 0.56 -0.75 4.76 4.83 1m1jE1 ASN 266 HB2 0.03 0.07 0.06 -0.04 2.88 3.00 1m1jE1 ASN 266 HB3 -0.04 -0.01 0.11 -0.04 2.79 2.82 1m1jE1 ASN 266 HD21 -0.00 0.16 -0.12 -0.04 7.03 7.03 1m1jE1 ASN 266 HD22 -0.04 -0.00 -0.07 -0.04 7.74 7.59 1m1jE1 PHE 267 H 0.34 0.21 0.21 -0.55 8.34 8.55 1m1jE1 PHE 267 HA 0.05 0.14 0.90 -0.75 4.62 4.96 1m1jE1 PHE 267 HB2 0.15 0.16 0.13 -0.04 3.15 3.54 1m1jE1 PHE 267 HB3 0.23 0.10 0.25 -0.04 3.06 3.59 1m1jE1 PHE 267 HD2 0.23 0.06 -0.13 -0.04 7.28 7.41 1m1jE1 PHE 267 HE2 0.19 -0.07 -0.13 -0.04 7.38 7.32 1m1jE1 PHE 267 HZ 0.06 0.01 -0.13 -0.04 7.32 7.23 1m1jE1 GLY 268 H 0.12 0.02 -0.06 -0.55 8.43 7.96 1m1jE1 GLY 268 HA2 0.24 0.19 0.59 -0.51 4.01 4.52 1m1jE1 GLY 268 HA3 0.15 0.02 0.33 -0.51 4.01 3.99 1m1jE1 ARG 269 H 0.20 0.40 -0.22 -0.55 8.46 8.29 1m1jE1 ARG 269 HA 0.16 0.21 0.94 -0.75 4.34 4.89 1m1jE1 ARG 269 HB2 -0.52 0.02 -0.09 -0.04 1.90 1.27 1m1jE1 ARG 269 HB3 -0.25 -0.11 0.01 -0.04 1.80 1.41 1m1jE1 ARG 269 HG2 -0.30 0.03 -0.34 -0.04 1.67 1.02 1m1jE1 ARG 269 HG3 -0.71 0.01 -0.42 -0.04 1.67 0.51 1m1jE1 ARG 269 HD2 -2.21 -0.02 -0.12 -0.04 3.22 0.84 1m1jE1 ARG 269 HD3 -0.56 -0.06 -0.07 -0.04 3.22 2.50 1m1jE1 ALA 270 H 0.02 0.15 0.10 -0.55 8.40 8.12 1m1jE1 ALA 270 HA -0.57 0.04 0.29 -0.75 4.34 3.35 1m1jE1 ALA 270 HB3 -0.01 0.01 0.12 -0.04 1.41 1.49 1m1jE1 TRP 271 H 0.16 0.17 0.11 -0.55 7.97 7.86 1m1jE1 TRP 271 HA 0.12 0.14 0.38 -0.75 4.62 4.51 1m1jE1 TRP 271 HB2 0.01 -0.00 0.03 -0.04 3.23 3.22 1m1jE1 TRP 271 HB3 0.02 -0.01 0.10 -0.04 3.23 3.30 1m1jE1 TRP 271 HD1 0.08 -0.02 -0.18 -0.04 7.22 7.07 1m1jE1 TRP 271 HE1 0.13 0.01 -0.07 -0.04 10.20 10.23 1m1jE1 TRP 271 HE3 0.15 -0.14 -0.06 -0.04 7.59 7.49 1m1jE1 TRP 271 HZ2 0.05 -0.02 -0.03 -0.04 7.44 7.40 1m1jE1 TRP 271 HZ3 0.36 0.22 -0.31 -0.04 7.13 7.36 1m1jE1 TRP 271 HH2 0.26 0.04 -0.09 -0.04 7.19 7.36 1m1jE1 ASP 272 H 0.23 0.09 -0.07 -0.55 8.40 8.11 1m1jE1 ASP 272 HA 0.06 0.10 0.39 -0.75 4.63 4.43 1m1jE1 ASP 272 HB2 0.10 -0.04 0.06 -0.04 2.71 2.79 1m1jE1 ASP 272 HB3 0.08 0.10 -0.02 -0.04 2.70 2.81 1m1jE1 GLU 273 H 0.03 0.03 -0.44 -0.55 8.60 7.68 1m1jE1 GLU 273 HA 0.02 0.16 0.38 -0.75 4.29 4.10 1m1jE1 GLU 273 HB2 -0.11 0.08 -0.06 -0.04 2.09 1.96 1m1jE1 GLU 273 HB3 -0.27 0.08 -0.13 -0.04 1.99 1.63 1m1jE1 GLU 273 HG2 -0.03 -0.12 -0.01 -0.04 2.34 2.14 1m1jE1 GLU 273 HG3 -0.15 -0.02 -0.01 -0.04 2.34 2.12 1m1jE1 TYR 274 H 0.11 0.44 -0.17 -0.55 8.29 8.12 1m1jE1 TYR 274 HA 0.24 0.05 0.31 -0.75 4.56 4.40 1m1jE1 TYR 274 HB2 -0.09 0.11 0.09 -0.04 3.06 3.13 1m1jE1 TYR 274 HB3 -0.29 -0.03 -0.05 -0.04 2.98 2.57 1m1jE1 TYR 274 HD2 -0.66 0.11 0.01 -0.04 7.15 6.57 1m1jE1 TYR 274 HE2 -0.69 0.03 0.14 -0.04 6.85 6.28 1m1jE1 LYS 275 H -0.11 0.21 -0.75 -0.55 8.42 7.22 1m1jE1 LYS 275 HA -0.39 -0.06 0.59 -0.75 4.32 3.71 1m1jE1 LYS 275 HB2 -0.43 0.07 0.05 -0.04 1.87 1.52 1m1jE1 LYS 275 HB3 -0.08 0.17 0.20 -0.04 1.79 2.04 1m1jE1 LYS 275 HG2 -0.01 -0.01 -0.15 -0.04 1.46 1.24 1m1jE1 LYS 275 HG3 0.07 -0.07 0.02 -0.04 1.46 1.45 1m1jE1 LYS 275 HD2 0.18 -0.03 -0.03 -0.04 1.69 1.77 1m1jE1 LYS 275 HD3 0.08 0.05 0.00 -0.04 1.68 1.77 1m1jE1 LYS 275 HE2 0.10 0.01 -0.02 -0.04 2.99 3.04 1m1jE1 LYS 275 HE3 0.20 -0.06 -0.00 -0.04 2.99 3.09 1m1jE1 ARG 276 H -0.01 0.52 0.11 -0.55 8.46 8.52 1m1jE1 ARG 276 HA -0.05 0.01 0.70 -0.75 4.34 4.26 1m1jE1 ARG 276 HB2 0.02 0.10 0.18 -0.04 1.90 2.16 1m1jE1 ARG 276 HB3 -0.01 0.01 0.13 -0.04 1.80 1.89 1m1jE1 ARG 276 HG2 0.00 -0.04 0.04 -0.04 1.67 1.63 1m1jE1 ARG 276 HG3 0.01 -0.01 0.10 -0.04 1.67 1.73 1m1jE1 ARG 276 HD2 0.02 0.03 0.04 -0.04 3.22 3.26 1m1jE1 ARG 276 HD3 0.03 -0.05 0.03 -0.04 3.22 3.18 1m1jE1 GLY 277 H 0.09 0.46 -0.04 -0.55 8.43 8.40 1m1jE1 GLY 277 HA2 0.05 -0.03 0.15 -0.51 4.01 3.67 1m1jE1 GLY 277 HA3 -0.07 0.36 0.64 -0.51 4.01 4.44 1m1jE1 PHE 278 H -0.31 0.54 0.30 -0.55 8.34 8.32 1m1jE1 PHE 278 HA -0.05 0.14 0.57 -0.75 4.62 4.53 1m1jE1 PHE 278 HB2 -0.11 -0.06 0.11 -0.04 3.15 3.04 1m1jE1 PHE 278 HB3 -0.11 0.10 -0.25 -0.04 3.06 2.76 1m1jE1 PHE 278 HD2 -0.29 0.01 -0.39 -0.04 7.28 6.57 1m1jE1 PHE 278 HE2 -1.70 -0.01 -0.15 -0.04 7.38 5.49 1m1jE1 PHE 278 HZ -1.08 0.04 0.03 -0.04 7.32 6.27 1m1jE1 GLY 279 H 0.17 0.13 0.16 -0.55 8.43 8.34 1m1jE1 GLY 279 HA2 0.14 -0.02 0.34 -0.51 4.01 3.97 1m1jE1 GLY 279 HA3 0.07 0.21 0.97 -0.51 4.01 4.74 1m1jE1 ASN 280 H 0.13 0.56 0.17 -0.55 8.53 8.85 1m1jE1 ASN 280 HA 0.00 0.16 0.91 -0.75 4.76 5.07 1m1jE1 ASN 280 HB2 0.08 -0.11 0.08 -0.04 2.88 2.88 1m1jE1 ASN 280 HB3 0.04 0.08 -0.10 -0.04 2.79 2.76 1m1jE1 ASN 280 HD21 0.05 0.06 -0.06 -0.04 7.03 7.04 1m1jE1 ASN 280 HD22 0.07 -0.08 -0.03 -0.04 7.74 7.66 1m1jE1 ILE 281 H -0.14 0.21 -0.02 -0.55 8.25 7.76 1m1jE1 ILE 281 HA -0.84 0.07 0.22 -0.75 4.18 2.88 1m1jE1 ILE 281 HB -0.14 -0.01 0.03 -0.04 1.89 1.72 1m1jE1 ILE 281 HG12 -1.00 -0.01 -0.15 -0.04 1.49 0.29 1m1jE1 ILE 281 HG13 -0.35 0.03 -0.12 -0.04 1.21 0.73 1m1jE1 ILE 281 HG23 -0.12 -0.02 -0.32 -0.04 0.93 0.43 1m1jE1 ILE 281 HD13 -0.13 0.00 -0.28 -0.04 0.88 0.43 1m1jE1 ALA 282 H -0.00 0.16 -0.09 -0.55 8.40 7.93 1m1jE1 ALA 282 HA 0.10 0.15 0.70 -0.75 4.34 4.53 1m1jE1 ALA 282 HB3 0.17 0.01 -0.13 -0.04 1.41 1.42 1m1jE1 LYS 283 H 0.08 0.77 0.20 -0.55 8.42 8.92 1m1jE1 LYS 283 HA 0.02 0.11 0.55 -0.75 4.32 4.25 1m1jE1 LYS 283 HB2 0.01 -0.00 0.03 -0.04 1.87 1.87 1m1jE1 LYS 283 HB3 0.02 0.06 -0.16 -0.04 1.79 1.67 1m1jE1 LYS 283 HG2 0.03 0.05 -0.48 -0.04 1.46 1.02 1m1jE1 LYS 283 HG3 0.02 -0.08 -0.35 -0.04 1.46 1.01 1m1jE1 LYS 283 HD2 0.01 0.02 -0.14 -0.04 1.69 1.54 1m1jE1 LYS 283 HD3 0.02 -0.04 -0.17 -0.04 1.68 1.44 1m1jE1 LYS 283 HE2 0.00 0.23 -0.13 -0.04 2.99 3.05 1m1jE1 LYS 283 HE3 0.00 -0.05 -0.17 -0.04 2.99 2.72 1m1jE1 SER 284 H -0.00 0.26 0.10 -0.55 8.46 8.27 1m1jE1 SER 284 HA -0.04 0.03 1.25 -0.75 4.49 4.97 1m1jE1 SER 284 HB2 -0.04 0.00 -0.31 -0.04 3.95 3.56 1m1jE1 SER 284 HB3 -0.03 0.04 0.01 -0.04 3.93 3.90 1m1jE1 GLY 285 H -0.06 0.08 0.21 -0.55 8.43 8.10 1m1jE1 GLY 285 HA2 -0.02 0.16 0.52 -0.51 4.01 4.16 1m1jE1 GLY 285 HA3 -0.03 0.02 0.33 -0.51 4.01 3.82 1m1jE1 GLY 286 H -0.10 -0.04 -0.07 -0.55 8.43 7.67 1m1jE1 GLY 286 HA2 -0.04 0.10 0.30 -0.51 4.01 3.85 1m1jE1 GLY 286 HA3 -0.05 0.08 0.44 -0.51 4.01 3.97 1m1jE1 LYS 287 H -0.17 -0.05 0.14 -0.55 8.42 7.79 1m1jE1 LYS 287 HA -0.13 0.10 0.39 -0.75 4.32 3.93 1m1jE1 LYS 287 HB2 -0.78 0.17 0.18 -0.04 1.87 1.40 1m1jE1 LYS 287 HB3 -0.67 -0.06 0.21 -0.04 1.79 1.23 1m1jE1 LYS 287 HG2 -0.21 -0.09 0.13 -0.04 1.46 1.26 1m1jE1 LYS 287 HG3 -0.44 0.06 0.09 -0.04 1.46 1.13 1m1jE1 LYS 287 HD2 -0.04 0.01 0.06 -0.04 1.69 1.69 1m1jE1 LYS 287 HD3 -0.08 0.02 0.02 -0.04 1.68 1.60 1m1jE1 LYS 287 HE2 0.02 0.03 0.01 -0.04 2.99 3.00 1m1jE1 LYS 287 HE3 -0.03 -0.00 0.01 -0.04 2.99 2.93 1m1jE1 LYS 288 H -0.05 0.11 0.19 -0.55 8.42 8.11 1m1jE1 LYS 288 HA -0.02 0.18 0.55 -0.75 4.32 4.27 1m1jE1 LYS 288 HB2 0.05 -0.04 0.15 -0.04 1.87 1.99 1m1jE1 LYS 288 HB3 0.10 0.01 0.01 -0.04 1.79 1.87 1m1jE1 LYS 288 HG2 0.01 0.03 0.06 -0.04 1.46 1.52 1m1jE1 LYS 288 HG3 0.03 -0.01 0.05 -0.04 1.46 1.48 1m1jE1 LYS 288 HD2 0.03 -0.02 0.12 -0.04 1.69 1.78 1m1jE1 LYS 288 HD3 0.01 0.05 0.15 -0.04 1.68 1.85 1m1jE1 LYS 288 HE2 0.01 -0.01 0.03 -0.04 2.99 2.97 1m1jE1 LYS 288 HE3 0.01 -0.01 0.03 -0.04 2.99 2.98 1m1jE1 TYR 289 H -0.39 -0.03 -0.28 -0.55 8.29 7.03 1m1jE1 TYR 289 HA -0.03 0.22 0.84 -0.75 4.56 4.83 1m1jE1 TYR 289 HB2 -0.08 0.12 0.00 -0.04 3.06 3.06 1m1jE1 TYR 289 HB3 -0.06 0.05 -0.12 -0.04 2.98 2.81 1m1jE1 TYR 289 HD2 -0.05 0.02 -0.25 -0.04 7.15 6.84 1m1jE1 TYR 289 HE2 -0.02 0.06 -0.04 -0.04 6.85 6.81 1m1jE1 CYS 290 H 0.09 0.22 0.05 -0.55 8.50 8.30 1m1jE1 CYS 290 HA -0.01 0.04 0.49 -0.75 4.58 4.35 1m1jE1 CYS 290 HB2 0.06 -0.01 0.09 -0.04 2.97 3.08 1m1jE1 CYS 290 HB3 0.07 0.07 -0.12 -0.04 2.97 2.95 1m1jE1 ASP 291 H -0.06 0.08 0.35 -0.55 8.40 8.23 1m1jE1 ASP 291 HA 0.20 0.17 0.80 -0.75 4.63 5.04 1m1jE1 ASP 291 HB2 0.13 0.11 0.23 -0.04 2.71 3.14 1m1jE1 ASP 291 HB3 -0.08 -0.04 0.07 -0.04 2.70 2.62 1m1jE1 THR 292 H 0.13 0.36 -0.01 -0.55 8.28 8.21 1m1jE1 THR 292 HA 0.11 0.23 0.93 -0.75 4.39 4.91 1m1jE1 THR 292 HB 0.03 -0.06 -0.12 -0.04 4.32 4.13 1m1jE1 THR 292 HG23 -0.02 0.09 -0.05 -0.04 1.22 1.20 1m1jE1 PRO 293 HA -0.03 0.23 0.73 -0.51 4.44 4.87 1m1jE1 PRO 293 HB2 -0.18 0.16 0.04 -0.04 2.28 2.26 1m1jE1 PRO 293 HB3 -1.32 -0.06 0.02 -0.04 2.02 0.62 1m1jE1 PRO 293 HG2 -0.23 0.03 -0.09 -0.04 2.03 1.71 1m1jE1 PRO 293 HG3 -0.47 -0.02 -0.02 -0.04 2.03 1.47 1m1jE1 PRO 293 HD2 -0.19 0.06 0.17 -0.04 3.68 3.68 1m1jE1 PRO 293 HD3 -0.72 0.13 0.06 -0.04 3.65 3.08 1m1jE1 GLY 294 H 0.15 0.51 -0.05 -0.55 8.43 8.49 1m1jE1 GLY 294 HA2 0.04 0.09 0.66 -0.51 4.01 4.29 1m1jE1 GLY 294 HA3 0.09 0.05 0.13 -0.51 4.01 3.78 1m1jE1 GLU 295 H 0.12 0.04 0.10 -0.55 8.60 8.31 1m1jE1 GLU 295 HA 0.10 0.25 0.71 -0.75 4.29 4.60 1m1jE1 GLU 295 HB2 0.21 -0.09 0.16 -0.04 2.09 2.32 1m1jE1 GLU 295 HB3 0.35 0.15 0.15 -0.04 1.99 2.60 1m1jE1 GLU 295 HG2 0.03 0.08 -0.04 -0.04 2.34 2.37 1m1jE1 GLU 295 HG3 0.04 0.03 0.04 -0.04 2.34 2.41 1m1jE1 TYR 296 H 0.05 0.29 0.31 -0.55 8.29 8.40 1m1jE1 TYR 296 HA -0.13 0.07 0.43 -0.75 4.56 4.17 1m1jE1 TYR 296 HB2 -0.13 0.20 -0.10 -0.04 3.06 2.99 1m1jE1 TYR 296 HB3 -0.01 0.04 -0.63 -0.04 2.98 2.33 1m1jE1 TYR 296 HD2 -0.06 0.09 -0.57 -0.04 7.15 6.57 1m1jE1 TYR 296 HE2 -0.02 0.07 -0.08 -0.04 6.85 6.78 1m1jE1 TRP 297 H -0.31 0.72 0.24 -0.55 7.97 8.07 1m1jE1 TRP 297 HA -0.13 0.22 0.96 -0.75 4.62 4.92 1m1jE1 TRP 297 HB2 -0.59 0.02 0.02 -0.04 3.23 2.64 1m1jE1 TRP 297 HB3 -1.54 -0.05 0.18 -0.04 3.23 1.78 1m1jE1 TRP 297 HD1 -0.23 -0.03 -0.03 -0.04 7.22 6.88 1m1jE1 TRP 297 HE1 -0.15 0.13 0.02 -0.04 10.20 10.16 1m1jE1 TRP 297 HE3 0.23 0.00 0.12 -0.04 7.59 7.91 1m1jE1 TRP 297 HZ2 -0.21 0.01 -0.08 -0.04 7.44 7.12 1m1jE1 TRP 297 HZ3 0.43 -0.06 -0.05 -0.04 7.13 7.41 1m1jE1 TRP 297 HH2 0.45 -0.01 -0.07 -0.04 7.19 7.52 1m1jE1 LEU 298 H -0.43 0.76 0.25 -0.55 8.37 8.40 1m1jE1 LEU 298 HA -0.06 0.05 0.36 -0.75 4.35 3.94 1m1jE1 LEU 298 HB2 -0.06 0.03 0.26 -0.04 1.64 1.83 1m1jE1 LEU 298 HB3 -0.39 -0.05 0.13 -0.04 1.64 1.29 1m1jE1 LEU 298 HG -0.19 -0.02 -0.11 -0.04 1.64 1.28 1m1jE1 LEU 298 HD13 0.08 0.01 0.10 -0.04 0.93 1.08 1m1jE1 LEU 298 HD23 0.07 0.01 -0.06 -0.04 0.89 0.87 1m1jE1 GLY 299 H -0.97 0.01 -0.30 -0.55 8.43 6.62 1m1jE1 GLY 299 HA2 -0.01 0.03 0.00 -0.51 4.01 3.52 1m1jE1 GLY 299 HA3 -0.18 0.31 0.51 -0.51 4.01 4.15 1m1jE1 ASN 300 H -0.13 0.54 0.33 -0.55 8.53 8.72 1m1jE1 ASN 300 HA -0.26 0.03 0.41 -0.75 4.76 4.19 1m1jE1 ASN 300 HB2 -1.00 -0.04 0.19 -0.04 2.88 1.99 1m1jE1 ASN 300 HB3 -2.06 -0.01 -0.03 -0.04 2.79 0.64 1m1jE1 ASN 300 HD21 -2.44 -0.04 -0.13 -0.04 7.03 4.38 1m1jE1 ASN 300 HD22 -1.56 -0.05 -0.15 -0.04 7.74 5.94 1m1jE1 ASP 301 H -0.17 0.46 0.08 -0.55 8.40 8.22 1m1jE1 ASP 301 HA 0.12 -0.01 0.44 -0.75 4.63 4.43 1m1jE1 ASP 301 HB2 -0.03 0.12 0.09 -0.04 2.71 2.85 1m1jE1 ASP 301 HB3 0.04 0.00 0.03 -0.04 2.70 2.73 1m1jE1 LYS 302 H -0.15 0.20 -0.38 -0.55 8.42 7.54 1m1jE1 LYS 302 HA -0.07 0.04 0.44 -0.75 4.32 3.98 1m1jE1 LYS 302 HB2 -0.27 0.15 -0.07 -0.04 1.87 1.65 1m1jE1 LYS 302 HB3 -0.26 -0.01 -0.09 -0.04 1.79 1.38 1m1jE1 LYS 302 HG2 -0.57 -0.04 0.00 -0.04 1.46 0.82 1m1jE1 LYS 302 HG3 -0.30 -0.08 0.01 -0.04 1.46 1.04 1m1jE1 LYS 302 HD2 -0.46 0.33 0.10 -0.04 1.69 1.61 1m1jE1 LYS 302 HD3 -1.46 -0.03 0.02 -0.04 1.68 0.16 1m1jE1 LYS 302 HE2 -0.91 -0.03 0.02 -0.04 2.99 2.03 1m1jE1 LYS 302 HE3 -0.35 -0.06 0.06 -0.04 2.99 2.61 1m1jE1 ILE 303 H -0.14 0.64 -0.07 -0.55 8.25 8.13 1m1jE1 ILE 303 HA -0.00 0.03 0.38 -0.75 4.18 3.84 1m1jE1 ILE 303 HB -0.06 0.05 0.04 -0.04 1.89 1.88 1m1jE1 ILE 303 HG12 -0.22 -0.03 -0.00 -0.04 1.49 1.20 1m1jE1 ILE 303 HG13 -0.34 0.36 0.01 -0.04 1.21 1.20 1m1jE1 ILE 303 HG23 0.15 -0.02 -0.12 -0.04 0.93 0.90 1m1jE1 ILE 303 HD13 -0.79 -0.03 -0.07 -0.04 0.88 -0.05 1m1jE1 SER 304 H 0.01 0.53 -0.29 -0.55 8.46 8.16 1m1jE1 SER 304 HA 0.04 0.10 0.44 -0.75 4.49 4.33 1m1jE1 SER 304 HB2 0.20 0.06 -0.02 -0.04 3.95 4.15 1m1jE1 SER 304 HB3 0.12 -0.01 0.17 -0.04 3.93 4.16 1m1jE1 GLN 305 H 0.05 0.51 -0.01 -0.55 8.47 8.47 1m1jE1 GLN 305 HA 0.04 -0.03 0.29 -0.75 4.36 3.90 1m1jE1 GLN 305 HB2 0.06 0.03 0.16 -0.04 2.15 2.35 1m1jE1 GLN 305 HB3 0.06 0.09 0.08 -0.04 2.02 2.22 1m1jE1 GLN 305 HG2 0.06 -0.02 0.02 -0.04 2.40 2.42 1m1jE1 GLN 305 HG3 0.07 -0.06 -0.02 -0.04 2.39 2.34 1m1jE1 GLN 305 HE21 0.07 0.03 -0.53 -0.04 6.97 6.50 1m1jE1 GLN 305 HE22 0.07 -0.02 -0.14 -0.04 7.69 7.57 1m1jE1 LEU 306 H 0.06 0.41 -0.55 -0.55 8.37 7.73 1m1jE1 LEU 306 HA 0.06 0.00 0.43 -0.75 4.35 4.08 1m1jE1 LEU 306 HB2 0.08 0.14 0.14 -0.04 1.64 1.95 1m1jE1 LEU 306 HB3 0.07 -0.07 -0.06 -0.04 1.64 1.54 1m1jE1 LEU 306 HG 0.14 0.16 0.01 -0.04 1.64 1.90 1m1jE1 LEU 306 HD13 0.09 -0.03 -0.05 -0.04 0.93 0.90 1m1jE1 LEU 306 HD23 0.06 -0.03 0.02 -0.04 0.89 0.90 1m1jE1 THR 307 H 0.06 0.54 0.02 -0.55 8.28 8.34 1m1jE1 THR 307 HA 0.08 0.01 0.46 -0.75 4.39 4.19 1m1jE1 THR 307 HB -0.04 0.06 0.21 -0.04 4.32 4.51 1m1jE1 THR 307 HG23 0.11 0.02 -0.03 -0.04 1.22 1.27 1m1jE1 LYS 308 H 0.02 0.37 -0.47 -0.55 8.42 7.78 1m1jE1 LYS 308 HA -0.02 0.04 0.44 -0.75 4.32 4.02 1m1jE1 LYS 308 HB2 0.01 0.11 0.01 -0.04 1.87 1.96 1m1jE1 LYS 308 HB3 -0.01 -0.07 0.04 -0.04 1.79 1.72 1m1jE1 LYS 308 HG2 -0.04 0.13 -0.14 -0.04 1.46 1.37 1m1jE1 LYS 308 HG3 -0.02 -0.12 -0.12 -0.04 1.46 1.16 1m1jE1 LYS 308 HD2 -0.07 -0.01 -0.02 -0.04 1.69 1.55 1m1jE1 LYS 308 HD3 -0.10 0.05 -0.10 -0.04 1.68 1.49 1m1jE1 LYS 308 HE2 -0.19 -0.09 -0.04 -0.04 2.99 2.63 1m1jE1 LYS 308 HE3 -0.37 -0.02 -0.06 -0.04 2.99 2.50 1m1jE1 ILE 309 H 0.02 0.44 -0.37 -0.55 8.25 7.79 1m1jE1 ILE 309 HA 0.02 -0.02 0.46 -0.75 4.18 3.90 1m1jE1 ILE 309 HB 0.02 0.10 0.15 -0.04 1.89 2.11 1m1jE1 ILE 309 HG12 0.03 -0.03 0.08 -0.04 1.49 1.53 1m1jE1 ILE 309 HG13 0.03 0.21 0.18 -0.04 1.21 1.60 1m1jE1 ILE 309 HG23 0.00 -0.05 -0.14 -0.04 0.93 0.71 1m1jE1 ILE 309 HD13 0.01 -0.05 0.04 -0.04 0.88 0.84 1m1jE1 GLY 310 H 0.02 0.39 -0.06 -0.55 8.43 8.24 1m1jE1 GLY 310 HA2 0.02 0.06 0.32 -0.51 4.01 3.90 1m1jE1 GLY 310 HA3 0.02 -0.00 0.33 -0.51 4.01 3.85 1m1jE1 PRO 311 HA 0.09 0.00 0.54 -0.51 4.44 4.56 1m1jE1 PRO 311 HB2 0.15 0.26 0.31 -0.04 2.28 2.95 1m1jE1 PRO 311 HB3 0.19 -0.01 0.16 -0.04 2.02 2.32 1m1jE1 PRO 311 HG2 0.05 0.02 0.16 -0.04 2.03 2.22 1m1jE1 PRO 311 HG3 0.06 -0.00 0.14 -0.04 2.03 2.18 1m1jE1 PRO 311 HD2 0.05 0.10 0.23 -0.04 3.68 4.01 1m1jE1 PRO 311 HD3 0.03 0.10 0.22 -0.04 3.65 3.97 1m1jE1 THR 312 H 0.10 0.20 0.43 -0.55 8.28 8.46 1m1jE1 THR 312 HA 0.09 0.11 1.08 -0.75 4.39 4.91 1m1jE1 THR 312 HB 0.18 0.12 0.23 -0.04 4.32 4.81 1m1jE1 THR 312 HG23 0.14 -0.02 -0.11 -0.04 1.22 1.19 1m1jE1 LYS 313 H 0.04 0.57 0.33 -0.55 8.42 8.80 1m1jE1 LYS 313 HA 0.06 0.29 0.75 -0.75 4.32 4.66 1m1jE1 LYS 313 HB2 -0.06 -0.12 -0.15 -0.04 1.87 1.51 1m1jE1 LYS 313 HB3 -0.32 0.10 -0.04 -0.04 1.79 1.48 1m1jE1 LYS 313 HG2 -0.03 0.23 -0.04 -0.04 1.46 1.57 1m1jE1 LYS 313 HG3 0.20 -0.10 -0.25 -0.04 1.46 1.26 1m1jE1 LYS 313 HD2 0.14 -0.08 -0.16 -0.04 1.69 1.54 1m1jE1 LYS 313 HD3 -0.10 -0.00 -0.10 -0.04 1.68 1.43 1m1jE1 LYS 313 HE2 -0.09 0.14 -0.20 -0.04 2.99 2.80 1m1jE1 LYS 313 HE3 -0.27 -0.04 -0.17 -0.04 2.99 2.47 1m1jE1 VAL 314 H 0.06 0.32 0.11 -0.55 8.24 8.18 1m1jE1 VAL 314 HA -0.00 0.34 1.15 -0.75 4.13 4.87 1m1jE1 VAL 314 HB -1.30 0.06 -0.15 -0.04 2.12 0.68 1m1jE1 VAL 314 HG13 -0.22 0.01 0.06 -0.04 0.97 0.77 1m1jE1 VAL 314 HG23 -0.42 -0.01 -0.21 -0.04 0.95 0.27 1m1jE1 LEU 315 H -0.10 0.93 0.34 -0.55 8.37 9.00 1m1jE1 LEU 315 HA -0.17 0.19 1.06 -0.75 4.35 4.67 1m1jE1 LEU 315 HB2 -0.67 0.03 -0.08 -0.04 1.64 0.87 1m1jE1 LEU 315 HB3 -1.02 0.00 0.11 -0.04 1.64 0.69 1m1jE1 LEU 315 HG -0.49 -0.05 -0.38 -0.04 1.64 0.69 1m1jE1 LEU 315 HD13 -0.32 0.01 -0.16 -0.04 0.93 0.42 1m1jE1 LEU 315 HD23 -0.96 0.00 -0.14 -0.04 0.89 -0.26 1m1jE1 ILE 316 H -0.11 0.70 0.35 -0.55 8.25 8.64 1m1jE1 ILE 316 HA -0.16 0.37 1.08 -0.75 4.18 4.72 1m1jE1 ILE 316 HB -0.15 -0.08 0.25 -0.04 1.89 1.87 1m1jE1 ILE 316 HG12 0.05 0.04 -0.02 -0.04 1.49 1.52 1m1jE1 ILE 316 HG13 0.04 -0.01 -0.12 -0.04 1.21 1.09 1m1jE1 ILE 316 HG23 -0.34 0.00 -0.12 -0.04 0.93 0.44 1m1jE1 ILE 316 HD13 0.35 -0.02 -0.04 -0.04 0.88 1.13 1m1jE1 GLU 317 H -0.23 0.46 0.36 -0.55 8.60 8.64 1m1jE1 GLU 317 HA -0.34 0.19 1.15 -0.75 4.29 4.54 1m1jE1 GLU 317 HB2 -0.22 -0.02 -0.03 -0.04 2.09 1.77 1m1jE1 GLU 317 HB3 -0.26 0.06 0.10 -0.04 1.99 1.85 1m1jE1 GLU 317 HG2 -0.32 -0.03 -0.31 -0.04 2.34 1.64 1m1jE1 GLU 317 HG3 -0.30 0.06 -0.18 -0.04 2.34 1.88 1m1jE1 MET 318 H -0.32 0.55 0.40 -0.55 8.47 8.54 1m1jE1 MET 318 HA -0.14 0.20 0.62 -0.75 4.52 4.44 1m1jE1 MET 318 HB2 0.00 0.08 0.17 -0.04 2.15 2.36 1m1jE1 MET 318 HB3 -0.22 -0.01 -0.14 -0.04 2.03 1.61 1m1jE1 MET 318 HG2 -0.53 0.01 -0.06 -0.04 2.63 2.01 1m1jE1 MET 318 HG3 -0.26 -0.01 -0.24 -0.04 2.56 2.01 1m1jE1 MET 318 HE3 -1.33 -0.02 -0.25 -0.04 2.10 0.46 1m1jE1 GLU 319 H -0.02 0.58 0.40 -0.55 8.60 9.02 1m1jE1 GLU 319 HA 0.07 0.32 1.00 -0.75 4.29 4.93 1m1jE1 GLU 319 HB2 -0.09 -0.01 -0.20 -0.04 2.09 1.74 1m1jE1 GLU 319 HB3 -0.12 -0.08 0.05 -0.04 1.99 1.80 1m1jE1 GLU 319 HG2 -0.05 0.15 -0.02 -0.04 2.34 2.37 1m1jE1 GLU 319 HG3 -0.02 0.09 -0.27 -0.04 2.34 2.10 1m1jE1 ASP 320 H 0.27 0.45 0.28 -0.55 8.40 8.84 1m1jE1 ASP 320 HA 0.32 0.16 0.84 -0.75 4.63 5.19 1m1jE1 ASP 320 HB2 0.20 -0.00 0.21 -0.04 2.71 3.07 1m1jE1 ASP 320 HB3 -0.09 0.11 0.07 -0.04 2.70 2.76 1m1jE1 TRP 321 H 0.66 0.23 0.16 -0.55 7.97 8.46 1m1jE1 TRP 321 HA -0.03 0.21 0.65 -0.75 4.62 4.69 1m1jE1 TRP 321 HB2 0.01 0.07 0.11 -0.04 3.23 3.38 1m1jE1 TRP 321 HB3 -0.09 0.03 0.17 -0.04 3.23 3.30 1m1jE1 TRP 321 HD1 -0.17 -0.09 -0.02 -0.04 7.22 6.90 1m1jE1 TRP 321 HE1 -0.38 0.42 -0.35 -0.04 10.20 9.85 1m1jE1 TRP 321 HE3 -0.34 0.05 0.06 -0.04 7.59 7.32 1m1jE1 TRP 321 HZ2 -0.70 0.21 -0.06 -0.04 7.44 6.85 1m1jE1 TRP 321 HZ3 -1.50 0.06 0.04 -0.04 7.13 5.69 1m1jE1 TRP 321 HH2 -1.48 0.08 -0.01 -0.04 7.19 5.74 1m1jE1 ASN 322 H 0.17 -0.11 -0.27 -0.55 8.53 7.76 1m1jE1 ASN 322 HA 0.11 0.26 0.82 -0.75 4.76 5.20 1m1jE1 ASN 322 HB2 0.10 -0.02 0.04 -0.04 2.88 2.96 1m1jE1 ASN 322 HB3 0.07 -0.08 -0.01 -0.04 2.79 2.73 1m1jE1 ASN 322 HD21 0.05 0.01 0.06 -0.04 7.03 7.10 1m1jE1 ASN 322 HD22 0.05 0.03 0.19 -0.04 7.74 7.97 1m1jE1 GLY 323 H 0.06 0.00 -0.15 -0.55 8.43 7.80 1m1jE1 GLY 323 HA2 -0.01 0.08 0.23 -0.51 4.01 3.80 1m1jE1 GLY 323 HA3 0.02 0.25 0.87 -0.51 4.01 4.64 1m1jE1 ASP 324 H 0.11 -0.11 0.04 -0.55 8.40 7.89 1m1jE1 ASP 324 HA 0.06 0.20 0.73 -0.75 4.63 4.87 1m1jE1 ASP 324 HB2 0.26 -0.11 0.09 -0.04 2.71 2.90 1m1jE1 ASP 324 HB3 0.25 0.11 0.02 -0.04 2.70 3.04 1m1jE1 LYS 325 H -0.02 0.22 0.26 -0.55 8.42 8.32 1m1jE1 LYS 325 HA -0.16 0.27 1.18 -0.75 4.32 4.86 1m1jE1 LYS 325 HB2 -0.13 -0.04 0.05 -0.04 1.87 1.71 1m1jE1 LYS 325 HB3 -0.18 0.07 0.14 -0.04 1.79 1.78 1m1jE1 LYS 325 HG2 -0.08 0.03 -0.19 -0.04 1.46 1.17 1m1jE1 LYS 325 HG3 -0.04 0.02 -0.25 -0.04 1.46 1.14 1m1jE1 LYS 325 HD2 -0.08 -0.03 -0.02 -0.04 1.69 1.52 1m1jE1 LYS 325 HD3 -0.10 -0.02 -0.06 -0.04 1.68 1.46 1m1jE1 LYS 325 HE2 -0.07 -0.01 -0.08 -0.04 2.99 2.79 1m1jE1 LYS 325 HE3 -0.05 0.09 -0.02 -0.04 2.99 2.98 1m1jE1 VAL 326 H -0.49 0.57 0.39 -0.55 8.24 8.16 1m1jE1 VAL 326 HA -0.40 0.11 0.65 -0.75 4.13 3.74 1m1jE1 VAL 326 HB -0.68 -0.09 -0.11 -0.04 2.12 1.20 1m1jE1 VAL 326 HG13 -1.11 0.01 -0.23 -0.04 0.97 -0.40 1m1jE1 VAL 326 HG23 -1.44 0.00 -0.18 -0.04 0.95 -0.71 1m1jE1 SER 327 H -0.34 0.09 0.23 -0.55 8.46 7.90 1m1jE1 SER 327 HA -0.41 0.30 0.87 -0.75 4.49 4.50 1m1jE1 SER 327 HB2 -0.28 0.02 0.02 -0.04 3.95 3.67 1m1jE1 SER 327 HB3 -0.30 0.07 -0.03 -0.04 3.93 3.64 1m1jE1 ALA 328 H -0.25 0.65 0.31 -0.55 8.40 8.57 1m1jE1 ALA 328 HA -0.15 0.03 0.79 -0.75 4.34 4.26 1m1jE1 ALA 328 HB3 0.21 -0.01 -0.05 -0.04 1.41 1.52 1m1jE1 LEU 329 H -0.41 0.67 0.34 -0.55 8.37 8.44 1m1jE1 LEU 329 HA -0.10 0.25 1.09 -0.75 4.35 4.84 1m1jE1 LEU 329 HB2 -0.19 -0.07 0.07 -0.04 1.64 1.41 1m1jE1 LEU 329 HB3 -0.25 0.08 0.25 -0.04 1.64 1.67 1m1jE1 LEU 329 HG -0.09 -0.02 -0.19 -0.04 1.64 1.30 1m1jE1 LEU 329 HD13 0.03 0.04 -0.15 -0.04 0.93 0.81 1m1jE1 LEU 329 HD23 -0.02 0.00 -0.06 -0.04 0.89 0.76 1m1jE1 TYR 330 H 0.12 0.63 0.26 -0.55 8.29 8.74 1m1jE1 TYR 330 HA 0.05 0.21 0.93 -0.75 4.56 5.00 1m1jE1 TYR 330 HB2 0.07 0.05 0.25 -0.04 3.06 3.38 1m1jE1 TYR 330 HB3 0.12 0.08 0.24 -0.04 2.98 3.38 1m1jE1 TYR 330 HD2 0.14 0.10 -0.07 -0.04 7.15 7.28 1m1jE1 TYR 330 HE2 0.31 -0.03 -0.07 -0.04 6.85 7.01 1m1jE1 GLY 331 H -0.07 0.49 0.01 -0.55 8.43 8.31 1m1jE1 GLY 331 HA2 -0.39 -0.02 0.28 -0.51 4.01 3.37 1m1jE1 GLY 331 HA3 -0.23 0.02 0.27 -0.51 4.01 3.56 1m1jE1 GLY 332 H 0.10 0.11 -0.59 -0.55 8.43 7.51 1m1jE1 GLY 332 HA2 0.06 0.26 0.98 -0.51 4.01 4.81 1m1jE1 GLY 332 HA3 0.07 -0.11 0.15 -0.51 4.01 3.61 1m1jE1 PHE 333 H 0.13 0.43 0.28 -0.55 8.34 8.63 1m1jE1 PHE 333 HA -0.06 0.22 1.00 -0.75 4.62 5.03 1m1jE1 PHE 333 HB2 0.02 -0.02 -0.14 -0.04 3.15 2.97 1m1jE1 PHE 333 HB3 0.01 0.08 -0.19 -0.04 3.06 2.92 1m1jE1 PHE 333 HD2 -0.07 0.00 -0.08 -0.04 7.28 7.09 1m1jE1 PHE 333 HE2 -0.16 -0.03 -0.10 -0.04 7.38 7.05 1m1jE1 PHE 333 HZ -0.02 -0.04 -0.12 -0.04 7.32 7.10 1m1jE1 THR 334 H -0.61 0.53 0.35 -0.55 8.28 8.01 1m1jE1 THR 334 HA -0.29 0.17 0.76 -0.75 4.39 4.28 1m1jE1 THR 334 HB -0.18 -0.05 -0.09 -0.04 4.32 3.96 1m1jE1 THR 334 HG23 -0.15 0.00 -0.21 -0.04 1.22 0.83 1m1jE1 ILE 335 H -0.19 0.25 -0.01 -0.55 8.25 7.75 1m1jE1 ILE 335 HA -0.13 0.42 0.67 -0.75 4.18 4.38 1m1jE1 ILE 335 HB -0.04 -0.05 -0.03 -0.04 1.89 1.73 1m1jE1 ILE 335 HG12 -0.48 0.08 -0.03 -0.04 1.49 1.01 1m1jE1 ILE 335 HG13 -0.87 -0.11 -0.74 -0.04 1.21 -0.54 1m1jE1 ILE 335 HG23 0.30 0.07 -0.18 -0.04 0.93 1.09 1m1jE1 ILE 335 HD13 0.26 -0.02 -0.16 -0.04 0.88 0.92 1m1jE1 HIS 336 H 0.14 0.49 -0.02 -0.55 8.41 8.49 1m1jE1 HIS 336 HA 0.04 0.05 0.39 -0.75 4.63 4.36 1m1jE1 HIS 336 HB2 0.05 0.13 0.09 -0.04 3.26 3.49 1m1jE1 HIS 336 HB3 0.08 -0.02 -0.03 -0.04 3.20 3.20 1m1jE1 HIS 336 HD2 0.03 0.05 -0.02 -0.04 6.97 6.99 1m1jE1 HIS 336 HE1 0.02 0.00 0.00 -0.04 7.75 7.73 1m1jE1 ASN 337 H 0.68 0.08 0.10 -0.55 8.53 8.84 1m1jE1 ASN 337 HA 0.21 0.22 0.36 -0.75 4.76 4.80 1m1jE1 ASN 337 HB2 0.09 -0.15 0.21 -0.04 2.88 2.98 1m1jE1 ASN 337 HB3 0.15 0.14 0.13 -0.04 2.79 3.17 1m1jE1 ASN 337 HD21 0.12 0.05 -0.01 -0.04 7.03 7.16 1m1jE1 ASN 337 HD22 0.14 0.09 0.03 -0.04 7.74 7.97 1m1jE1 GLU 338 H -0.01 0.19 0.15 -0.55 8.60 8.38 1m1jE1 GLU 338 HA -1.08 0.10 0.39 -0.75 4.29 2.95 1m1jE1 GLU 338 HB2 0.06 0.04 0.11 -0.04 2.09 2.26 1m1jE1 GLU 338 HB3 0.02 -0.01 0.12 -0.04 1.99 2.09 1m1jE1 GLU 338 HG2 0.12 0.03 -0.16 -0.04 2.34 2.29 1m1jE1 GLU 338 HG3 0.30 0.01 0.03 -0.04 2.34 2.63 1m1jE1 GLY 339 H -0.04 0.08 -0.09 -0.55 8.43 7.84 1m1jE1 GLY 339 HA2 -0.05 0.10 0.36 -0.51 4.01 3.91 1m1jE1 GLY 339 HA3 -0.05 0.05 0.26 -0.51 4.01 3.76 1m1jE1 ASN 340 H -0.10 0.18 -0.87 -0.55 8.53 7.20 1m1jE1 ASN 340 HA -0.09 0.24 0.81 -0.75 4.76 4.97 1m1jE1 ASN 340 HB2 -0.26 -0.09 -0.04 -0.04 2.88 2.45 1m1jE1 ASN 340 HB3 -0.06 0.01 0.15 -0.04 2.79 2.84 1m1jE1 ASN 340 HD21 -0.18 -0.00 -0.03 -0.04 7.03 6.78 1m1jE1 ASN 340 HD22 -0.06 0.05 0.03 -0.04 7.74 7.72 1m1jE1 LYS 341 H -0.06 0.53 -0.29 -0.55 8.42 8.04 1m1jE1 LYS 341 HA 0.19 0.04 0.34 -0.75 4.32 4.13 1m1jE1 LYS 341 HB2 0.18 0.12 -0.05 -0.04 1.87 2.08 1m1jE1 LYS 341 HB3 0.22 -0.02 0.24 -0.04 1.79 2.19 1m1jE1 LYS 341 HG2 -0.16 -0.00 0.03 -0.04 1.46 1.28 1m1jE1 LYS 341 HG3 -0.21 -0.00 -0.17 -0.04 1.46 1.04 1m1jE1 LYS 341 HD2 -1.53 0.03 -0.05 -0.04 1.69 0.09 1m1jE1 LYS 341 HD3 -0.46 0.01 0.03 -0.04 1.68 1.22 1m1jE1 LYS 341 HE2 -0.36 0.01 -0.01 -0.04 2.99 2.59 1m1jE1 LYS 341 HE3 -0.44 0.00 0.01 -0.04 2.99 2.52 1m1jE1 TYR 342 H -0.15 0.37 -0.39 -0.55 8.29 7.57 1m1jE1 TYR 342 HA 0.24 0.48 0.09 -0.75 4.56 4.62 1m1jE1 TYR 342 HB2 0.27 0.02 -0.16 -0.04 3.06 3.15 1m1jE1 TYR 342 HB3 0.24 -0.01 0.05 -0.04 2.98 3.22 1m1jE1 TYR 342 HD2 -0.06 0.18 -0.19 -0.04 7.15 7.04 1m1jE1 TYR 342 HE2 -0.39 -0.03 -0.15 -0.04 6.85 6.25 1m1jE1 GLN 343 H 0.33 0.33 -0.32 -0.55 8.47 8.27 1m1jE1 GLN 343 HA 0.32 0.16 0.42 -0.75 4.36 4.50 1m1jE1 GLN 343 HB2 0.31 0.14 0.12 -0.04 2.15 2.67 1m1jE1 GLN 343 HB3 0.17 -0.22 0.08 -0.04 2.02 2.00 1m1jE1 GLN 343 HG2 -0.07 0.11 -0.16 -0.04 2.40 2.24 1m1jE1 GLN 343 HG3 -0.21 0.21 -0.16 -0.04 2.39 2.20 1m1jE1 GLN 343 HE21 -0.08 -0.13 0.03 -0.04 6.97 6.75 1m1jE1 GLN 343 HE22 -0.20 0.23 0.13 -0.04 7.69 7.81 1m1jE1 LEU 344 H -0.12 0.52 0.27 -0.55 8.37 8.50 1m1jE1 LEU 344 HA -0.65 0.20 0.75 -0.75 4.35 3.90 1m1jE1 LEU 344 HB2 -2.71 0.00 0.11 -0.04 1.64 -1.01 1m1jE1 LEU 344 HB3 -0.73 0.10 0.11 -0.04 1.64 1.08 1m1jE1 LEU 344 HG -0.48 -0.12 -0.23 -0.04 1.64 0.76 1m1jE1 LEU 344 HD13 -0.86 -0.01 0.08 -0.04 0.93 0.09 1m1jE1 LEU 344 HD23 -0.65 -0.02 -0.11 -0.04 0.89 0.08 1m1jE1 SER 345 H -0.50 0.31 0.24 -0.55 8.46 7.96 1m1jE1 SER 345 HA -0.16 -0.07 0.62 -0.75 4.49 4.13 1m1jE1 SER 345 HB2 -0.12 0.15 -0.19 -0.04 3.95 3.75 1m1jE1 SER 345 HB3 -0.19 -0.02 -0.07 -0.04 3.93 3.61 1m1jE1 VAL 346 H -0.07 0.15 0.19 -0.55 8.24 7.96 1m1jE1 VAL 346 HA 0.05 0.57 0.86 -0.75 4.13 4.85 1m1jE1 VAL 346 HB 0.20 -0.07 0.26 -0.04 2.12 2.47 1m1jE1 VAL 346 HG13 -0.08 -0.01 -0.07 -0.04 0.97 0.77 1m1jE1 VAL 346 HG23 -0.09 -0.06 -0.13 -0.04 0.95 0.63 1m1jE1 SER 347 H 0.27 0.40 0.28 -0.55 8.46 8.86 1m1jE1 SER 347 HA 0.15 0.03 0.38 -0.75 4.49 4.30 1m1jE1 SER 347 HB2 0.08 -0.12 0.17 -0.04 3.95 4.04 1m1jE1 SER 347 HB3 0.07 0.27 0.14 -0.04 3.93 4.37 1m1jE1 ASN 348 H 0.09 0.18 0.15 -0.55 8.53 8.41 1m1jE1 ASN 348 HA 0.05 0.07 0.41 -0.75 4.76 4.54 1m1jE1 ASN 348 HB2 -0.00 -0.08 0.01 -0.04 2.88 2.77 1m1jE1 ASN 348 HB3 0.02 0.08 0.17 -0.04 2.79 3.01 1m1jE1 ASN 348 HD21 0.07 0.05 -0.00 -0.04 7.03 7.11 1m1jE1 ASN 348 HD22 0.06 0.03 0.07 -0.04 7.74 7.86 1m1jE1 TYR 349 H 0.16 -0.06 -0.15 -0.55 8.29 7.69 1m1jE1 TYR 349 HA -0.48 0.34 0.66 -0.75 4.56 4.33 1m1jE1 TYR 349 HB2 -0.26 -0.06 0.08 -0.04 3.06 2.78 1m1jE1 TYR 349 HB3 -0.06 -0.02 0.09 -0.04 2.98 2.95 1m1jE1 TYR 349 HD2 -0.50 0.06 -0.10 -0.04 7.15 6.57 1m1jE1 TYR 349 HE2 0.00 0.06 -0.08 -0.04 6.85 6.79 1m1jE1 LYS 350 H -1.38 0.17 0.28 -0.55 8.42 6.94 1m1jE1 LYS 350 HA -0.66 0.01 0.49 -0.75 4.32 3.42 1m1jE1 LYS 350 HB2 -0.23 0.24 0.11 -0.04 1.87 1.95 1m1jE1 LYS 350 HB3 -0.29 -0.02 0.07 -0.04 1.79 1.50 1m1jE1 LYS 350 HG2 -0.22 -0.06 -0.19 -0.04 1.46 0.95 1m1jE1 LYS 350 HG3 -0.19 -0.03 0.08 -0.04 1.46 1.28 1m1jE1 LYS 350 HD2 -0.08 -0.02 -0.01 -0.04 1.69 1.54 1m1jE1 LYS 350 HD3 -0.08 0.04 0.02 -0.04 1.68 1.62 1m1jE1 LYS 350 HE2 -0.09 0.03 -0.02 -0.04 2.99 2.86 1m1jE1 LYS 350 HE3 -0.09 -0.05 -0.04 -0.04 2.99 2.77 1m1jE1 GLY 351 H -0.43 0.33 0.27 -0.55 8.43 8.06 1m1jE1 GLY 351 HA2 -0.23 0.09 0.37 -0.51 4.01 3.73 1m1jE1 GLY 351 HA3 -0.29 0.14 0.70 -0.51 4.01 4.04 1m1jE1 ASN 352 H -0.15 0.18 0.27 -0.55 8.53 8.29 1m1jE1 ASN 352 HA 0.02 0.22 0.97 -0.75 4.76 5.22 1m1jE1 ASN 352 HB2 -0.06 0.08 0.25 -0.04 2.88 3.10 1m1jE1 ASN 352 HB3 -0.07 0.02 0.08 -0.04 2.79 2.78 1m1jE1 ASN 352 HD21 -0.17 0.08 0.12 -0.04 7.03 7.02 1m1jE1 ASN 352 HD22 -0.10 0.03 0.10 -0.04 7.74 7.73 1m1jE1 ALA 353 H 0.02 0.19 -0.01 -0.55 8.40 8.05 1m1jE1 ALA 353 HA -0.28 0.23 0.77 -0.75 4.34 4.30 1m1jE1 ALA 353 HB3 -0.39 -0.04 -0.15 -0.04 1.41 0.80 1m1jE1 GLY 354 H 0.32 -0.02 -0.21 -0.55 8.43 7.96 1m1jE1 GLY 354 HA2 0.12 0.01 0.30 -0.51 4.01 3.93 1m1jE1 GLY 354 HA3 0.22 0.29 0.58 -0.51 4.01 4.59 1m1jE1 ASN 355 H -0.52 0.20 0.06 -0.55 8.53 7.72 1m1jE1 ASN 355 HA -0.26 -0.00 0.36 -0.75 4.76 4.11 1m1jE1 ASN 355 HB2 -2.16 0.04 0.12 -0.04 2.88 0.84 1m1jE1 ASN 355 HB3 -0.48 0.11 0.20 -0.04 2.79 2.59 1m1jE1 ASN 355 HD21 0.14 0.02 -0.01 -0.04 7.03 7.14 1m1jE1 ASN 355 HD22 -0.09 0.08 0.03 -0.04 7.74 7.72 1m1jE1 ALA 356 H 0.15 0.33 0.34 -0.55 8.40 8.67 1m1jE1 ALA 356 HA -0.15 0.32 0.53 -0.75 4.34 4.28 1m1jE1 ALA 356 HB3 -0.82 -0.01 -0.06 -0.04 1.41 0.47 1m1jE1 LEU 357 H 0.21 0.06 -0.05 -0.55 8.37 8.05 1m1jE1 LEU 357 HA 0.25 0.15 0.62 -0.75 4.35 4.61 1m1jE1 LEU 357 HB2 -0.27 -0.01 0.03 -0.04 1.64 1.34 1m1jE1 LEU 357 HB3 -0.12 0.05 0.04 -0.04 1.64 1.57 1m1jE1 LEU 357 HG 0.32 -0.07 0.01 -0.04 1.64 1.85 1m1jE1 LEU 357 HD13 -0.35 0.03 -0.03 -0.04 0.93 0.54 1m1jE1 LEU 357 HD23 0.26 0.02 -0.07 -0.04 0.89 1.06 1m1jE1 MET 358 H 0.11 -0.02 -0.23 -0.55 8.47 7.78 1m1jE1 MET 358 HA 0.02 0.22 0.95 -0.75 4.52 4.97 1m1jE1 MET 358 HB2 0.10 -0.04 0.03 -0.04 2.15 2.20 1m1jE1 MET 358 HB3 0.07 0.10 -0.02 -0.04 2.03 2.13 1m1jE1 MET 358 HG2 0.09 0.07 -0.17 -0.04 2.63 2.59 1m1jE1 MET 358 HG3 0.37 -0.11 -0.13 -0.04 2.56 2.65 1m1jE1 MET 358 HE3 0.29 -0.05 -0.08 -0.04 2.10 2.22 1m1jE1 GLU 359 H -0.03 0.15 -0.03 -0.55 8.60 8.15 1m1jE1 GLU 359 HA -0.03 0.22 0.82 -0.75 4.29 4.54 1m1jE1 GLU 359 HB2 -0.08 0.18 0.12 -0.04 2.09 2.27 1m1jE1 GLU 359 HB3 -0.05 0.03 0.10 -0.04 1.99 2.02 1m1jE1 GLU 359 HG2 -0.02 0.04 -0.03 -0.04 2.34 2.29 1m1jE1 GLU 359 HG3 -0.02 -0.13 -0.18 -0.04 2.34 1.97 1m1jE1 GLY 360 H -0.07 -0.04 -0.28 -0.55 8.43 7.49 1m1jE1 GLY 360 HA2 -0.13 0.62 0.41 -0.51 4.01 4.40 1m1jE1 GLY 360 HA3 -0.11 0.19 0.19 -0.51 4.01 3.77 1m1jE1 ALA 361 H -0.13 0.14 0.15 -0.55 8.40 8.01 1m1jE1 ALA 361 HA -0.13 -0.05 0.42 -0.75 4.34 3.82 1m1jE1 ALA 361 HB3 -0.14 -0.01 0.09 -0.04 1.41 1.31 1m1jE1 SER 362 H -0.09 0.05 0.13 -0.55 8.46 8.01 1m1jE1 SER 362 HA -0.11 0.23 0.50 -0.75 4.49 4.35 1m1jE1 SER 362 HB2 -0.03 0.03 0.09 -0.04 3.95 4.01 1m1jE1 SER 362 HB3 -0.03 0.00 0.10 -0.04 3.93 3.96 1m1jE1 GLN 363 H -0.14 -0.05 -0.19 -0.55 8.47 7.54 1m1jE1 GLN 363 HA -0.21 0.24 0.73 -0.75 4.36 4.36 1m1jE1 GLN 363 HB2 -0.07 0.02 0.09 -0.04 2.15 2.16 1m1jE1 GLN 363 HB3 -0.06 0.03 -0.00 -0.04 2.02 1.94 1m1jE1 GLN 363 HG2 -0.12 0.01 -0.19 -0.04 2.40 2.06 1m1jE1 GLN 363 HG3 -0.06 -0.00 -0.06 -0.04 2.39 2.22 1m1jE1 GLN 363 HE21 -0.03 0.19 -0.09 -0.04 6.97 7.00 1m1jE1 GLN 363 HE22 -0.03 0.04 -0.05 -0.04 7.69 7.62 1m1jE1 LEU 364 H -0.30 0.18 -0.45 -0.55 8.37 7.25 1m1jE1 LEU 364 HA -0.27 0.18 0.80 -0.75 4.35 4.30 1m1jE1 LEU 364 HB2 -0.18 0.09 -0.08 -0.04 1.64 1.43 1m1jE1 LEU 364 HB3 -0.13 -0.11 -0.02 -0.04 1.64 1.33 1m1jE1 LEU 364 HG -0.16 -0.12 -0.13 -0.04 1.64 1.18 1m1jE1 LEU 364 HD13 -0.14 0.02 -0.15 -0.04 0.93 0.62 1m1jE1 LEU 364 HD23 -0.10 0.04 -0.19 -0.04 0.89 0.59 1m1jE1 TYR 365 H -0.02 0.15 0.15 -0.55 8.29 8.03 1m1jE1 TYR 365 HA -0.03 0.29 0.89 -0.75 4.56 4.97 1m1jE1 TYR 365 HB2 -0.02 -0.03 -0.00 -0.04 3.06 2.96 1m1jE1 TYR 365 HB3 -0.02 -0.02 0.06 -0.04 2.98 2.96 1m1jE1 TYR 365 HD2 -0.02 -0.05 -0.05 -0.04 7.15 6.99 1m1jE1 TYR 365 HE2 -0.01 0.00 -0.05 -0.04 6.85 6.75 1m1jE1 GLY 366 H 0.11 0.22 0.12 -0.55 8.43 8.33 1m1jE1 GLY 366 HA2 0.03 0.12 0.32 -0.51 4.01 3.97 1m1jE1 GLY 366 HA3 0.04 0.03 0.39 -0.51 4.01 3.95 1m1jE1 GLU 367 H 0.01 0.15 0.18 -0.55 8.60 8.39 1m1jE1 GLU 367 HA -0.02 0.06 0.31 -0.75 4.29 3.89 1m1jE1 GLU 367 HB2 -0.00 0.00 0.16 -0.04 2.09 2.21 1m1jE1 GLU 367 HB3 -0.01 -0.00 0.10 -0.04 1.99 2.04 1m1jE1 GLU 367 HG2 -0.03 0.03 -0.14 -0.04 2.34 2.16 1m1jE1 GLU 367 HG3 -0.01 0.02 0.05 -0.04 2.34 2.35 1m1jE1 ASN 368 H -0.01 0.29 -0.27 -0.55 8.53 7.99 1m1jE1 ASN 368 HA -0.08 0.08 0.41 -0.75 4.76 4.41 1m1jE1 ASN 368 HB2 -0.04 -0.08 0.17 -0.04 2.88 2.88 1m1jE1 ASN 368 HB3 -0.08 -0.00 -0.01 -0.04 2.79 2.65 1m1jE1 ASN 368 HD21 0.00 0.02 0.04 -0.04 7.03 7.05 1m1jE1 ASN 368 HD22 0.01 -0.10 0.10 -0.04 7.74 7.70 1m1jE1 ARG 369 H -0.06 0.14 -0.37 -0.55 8.46 7.62 1m1jE1 ARG 369 HA -0.12 -0.07 0.27 -0.75 4.34 3.67 1m1jE1 ARG 369 HB2 -0.13 0.03 -0.39 -0.04 1.90 1.36 1m1jE1 ARG 369 HB3 -0.05 -0.02 -0.17 -0.04 1.80 1.52 1m1jE1 ARG 369 HG2 -0.08 -0.02 -0.39 -0.04 1.67 1.15 1m1jE1 ARG 369 HG3 -0.11 0.02 -0.14 -0.04 1.67 1.39 1m1jE1 ARG 369 HD2 -0.04 -0.17 -0.09 -0.04 3.22 2.88 1m1jE1 ARG 369 HD3 -0.06 0.19 -0.07 -0.04 3.22 3.24 1m1jE1 THR 370 H -0.05 0.52 -0.41 -0.55 8.28 7.80 1m1jE1 THR 370 HA -0.05 0.06 0.18 -0.75 4.39 3.83 1m1jE1 THR 370 HB -0.03 0.06 -0.09 -0.04 4.32 4.21 1m1jE1 THR 370 HG23 -0.02 -0.00 -0.10 -0.04 1.22 1.05 1m1jE1 MET 371 H -0.08 0.50 -0.46 -0.55 8.47 7.88 1m1jE1 MET 371 HA -0.07 0.11 0.68 -0.75 4.52 4.49 1m1jE1 MET 371 HB2 -0.12 -0.15 0.20 -0.04 2.15 2.04 1m1jE1 MET 371 HB3 -0.08 0.00 0.10 -0.04 2.03 2.02 1m1jE1 MET 371 HG2 -0.10 0.28 0.34 -0.04 2.63 3.11 1m1jE1 MET 371 HG3 -0.14 -0.02 -0.02 -0.04 2.56 2.33 1m1jE1 MET 371 HE3 -0.07 0.02 -0.00 -0.04 2.10 2.00 1m1jE1 THR 372 H -0.12 0.61 -0.48 -0.55 8.28 7.74 1m1jE1 THR 372 HA -0.17 0.10 0.62 -0.75 4.39 4.19 1m1jE1 THR 372 HB -0.15 -0.15 -0.36 -0.04 4.32 3.62 1m1jE1 THR 372 HG23 -0.17 0.05 -0.16 -0.04 1.22 0.90 1m1jE1 ILE 373 H -0.16 0.29 -0.47 -0.55 8.25 7.36 1m1jE1 ILE 373 HA -0.18 0.01 0.75 -0.75 4.18 4.02 1m1jE1 ILE 373 HB -0.08 0.19 0.03 -0.04 1.89 1.99 1m1jE1 ILE 373 HG12 -0.07 -0.26 -0.59 -0.04 1.49 0.54 1m1jE1 ILE 373 HG13 -0.09 0.05 -0.55 -0.04 1.21 0.58 1m1jE1 ILE 373 HG23 -0.05 -0.00 -0.19 -0.04 0.93 0.65 1m1jE1 ILE 373 HD13 -0.04 0.02 -0.12 -0.04 0.88 0.70 1m1jE1 HIS 374 H -0.08 0.14 0.17 -0.55 8.41 8.09 1m1jE1 HIS 374 HA 0.04 0.19 0.65 -0.75 4.63 4.76 1m1jE1 HIS 374 HB2 -0.01 -0.09 0.23 -0.04 3.26 3.35 1m1jE1 HIS 374 HB3 -0.04 0.01 0.10 -0.04 3.20 3.23 1m1jE1 HIS 374 HD2 0.07 0.03 -0.02 -0.04 6.97 7.00 1m1jE1 HIS 374 HE1 0.57 0.11 0.16 -0.04 7.75 8.54 1m1jE1 ASN 375 H 0.00 0.75 0.28 -0.55 8.53 9.01 1m1jE1 ASN 375 HA -0.13 -0.09 0.29 -0.75 4.76 4.08 1m1jE1 ASN 375 HB2 -0.02 -0.10 0.05 -0.04 2.88 2.77 1m1jE1 ASN 375 HB3 -0.02 0.06 0.14 -0.04 2.79 2.92 1m1jE1 ASN 375 HD21 -0.00 0.07 0.04 -0.04 7.03 7.08 1m1jE1 ASN 375 HD22 0.01 -0.02 0.01 -0.04 7.74 7.69 1m1jE1 GLY 376 H -0.15 0.21 0.08 -0.55 8.43 8.02 1m1jE1 GLY 376 HA2 -0.12 0.02 0.43 -0.51 4.01 3.83 1m1jE1 GLY 376 HA3 -0.10 0.06 0.63 -0.51 4.01 4.09 1m1jE1 MET 377 H -0.06 0.74 -0.23 -0.55 8.47 8.38 1m1jE1 MET 377 HA -0.12 0.01 0.45 -0.75 4.52 4.11 1m1jE1 MET 377 HB2 0.15 -0.01 0.09 -0.04 2.15 2.34 1m1jE1 MET 377 HB3 0.17 0.08 -0.11 -0.04 2.03 2.13 1m1jE1 MET 377 HG2 0.03 0.16 0.10 -0.04 2.63 2.87 1m1jE1 MET 377 HG3 0.11 -0.16 -0.18 -0.04 2.56 2.30 1m1jE1 MET 377 HE3 0.08 0.04 0.08 -0.04 2.10 2.25 1m1jE1 TYR 378 H 0.14 0.15 0.21 -0.55 8.29 8.23 1m1jE1 TYR 378 HA 0.32 0.14 0.69 -0.75 4.56 4.96 1m1jE1 TYR 378 HB2 0.15 0.24 0.17 -0.04 3.06 3.58 1m1jE1 TYR 378 HB3 0.21 -0.03 0.20 -0.04 2.98 3.31 1m1jE1 TYR 378 HD2 0.12 0.11 0.04 -0.04 7.15 7.38 1m1jE1 TYR 378 HE2 0.04 -0.04 -0.01 -0.04 6.85 6.80 1m1jE1 PHE 379 H 0.62 0.57 0.23 -0.55 8.34 9.20 1m1jE1 PHE 379 HA -0.19 0.16 0.78 -0.75 4.62 4.61 1m1jE1 PHE 379 HB2 0.10 0.17 -0.05 -0.04 3.15 3.33 1m1jE1 PHE 379 HB3 0.38 -0.07 -0.07 -0.04 3.06 3.26 1m1jE1 PHE 379 HD2 -1.36 -0.01 -0.28 -0.04 7.28 5.59 1m1jE1 PHE 379 HE2 -1.00 -0.03 -0.20 -0.04 7.38 6.11 1m1jE1 PHE 379 HZ -1.43 0.03 -0.21 -0.04 7.32 5.67 1m1jE1 SER 380 H -0.77 0.54 0.37 -0.55 8.46 8.05 1m1jE1 SER 380 HA 0.26 0.14 0.84 -0.75 4.49 4.98 1m1jE1 SER 380 HB2 0.09 0.13 0.25 -0.04 3.95 4.38 1m1jE1 SER 380 HB3 0.11 -0.10 0.02 -0.04 3.93 3.92 1m1jE1 THR 381 H 0.18 0.31 0.32 -0.55 8.28 8.55 1m1jE1 THR 381 HA -0.06 0.32 0.87 -0.75 4.39 4.77 1m1jE1 THR 381 HB -0.08 0.10 0.00 -0.04 4.32 4.30 1m1jE1 THR 381 HG23 0.17 0.02 -0.21 -0.04 1.22 1.16 1m1jE1 TYR 382 H 0.06 0.31 -0.07 -0.55 8.29 8.04 1m1jE1 TYR 382 HA 0.04 -0.02 0.14 -0.75 4.56 3.97 1m1jE1 TYR 382 HB2 0.03 0.05 -0.01 -0.04 3.06 3.10 1m1jE1 TYR 382 HB3 0.05 0.11 -0.13 -0.04 2.98 2.97 1m1jE1 TYR 382 HD2 0.06 0.05 -0.51 -0.04 7.15 6.71 1m1jE1 TYR 382 HE2 0.04 0.06 -0.17 -0.04 6.85 6.74 1m1jE1 ASP 383 H -0.23 -0.08 -0.71 -0.55 8.40 6.84 1m1jE1 ASP 383 HA 0.10 0.30 0.90 -0.75 4.63 5.18 1m1jE1 ASP 383 HB2 0.04 0.07 0.16 -0.04 2.71 2.94 1m1jE1 ASP 383 HB3 -0.05 0.02 -0.09 -0.04 2.70 2.54 1m1jE1 ARG 384 H 0.02 0.72 -0.16 -0.55 8.46 8.48 1m1jE1 ARG 384 HA -0.14 0.17 0.69 -0.75 4.34 4.30 1m1jE1 ARG 384 HB2 -0.10 -0.09 -0.18 -0.04 1.90 1.48 1m1jE1 ARG 384 HB3 0.08 -0.22 0.21 -0.04 1.80 1.83 1m1jE1 ARG 384 HG2 -1.48 0.02 -0.02 -0.04 1.67 0.16 1m1jE1 ARG 384 HG3 -0.45 0.11 -0.08 -0.04 1.67 1.21 1m1jE1 ARG 384 HD2 -0.43 0.06 0.09 -0.04 3.22 2.91 1m1jE1 ARG 384 HD3 -0.57 -0.05 0.04 -0.04 3.22 2.60 1m1jE1 ASP 385 H -0.07 0.21 0.07 -0.55 8.40 8.07 1m1jE1 ASP 385 HA 0.03 0.02 0.84 -0.75 4.63 4.77 1m1jE1 ASP 385 HB2 -0.01 0.02 0.04 -0.04 2.71 2.71 1m1jE1 ASP 385 HB3 -0.03 0.06 0.16 -0.04 2.70 2.85 1m1jE1 ASN 386 H 0.09 0.04 0.21 -0.55 8.53 8.33 1m1jE1 ASN 386 HA 0.05 0.18 0.69 -0.75 4.76 4.92 1m1jE1 ASN 386 HB2 0.17 0.15 -0.20 -0.04 2.88 2.95 1m1jE1 ASN 386 HB3 0.18 -0.03 0.13 -0.04 2.79 3.02 1m1jE1 ASN 386 HD21 -0.33 -0.11 -0.07 -0.04 7.03 6.49 1m1jE1 ASN 386 HD22 0.06 0.42 0.06 -0.04 7.74 8.24 1m1jE1 ASP 387 H 0.14 -0.12 0.13 -0.55 8.40 8.00 1m1jE1 ASP 387 HA 0.22 0.53 0.68 -0.75 4.63 5.30 1m1jE1 ASP 387 HB2 0.24 0.24 0.13 -0.04 2.71 3.28 1m1jE1 ASP 387 HB3 0.24 -0.10 0.14 -0.04 2.70 2.94 1m1jE1 GLY 388 H 0.18 0.41 0.19 -0.55 8.43 8.66 1m1jE1 GLY 388 HA2 0.14 0.17 0.55 -0.51 4.01 4.36 1m1jE1 GLY 388 HA3 0.11 -0.04 0.23 -0.51 4.01 3.80 1m1jE1 TRP 389 H 0.30 0.07 -0.61 -0.55 7.97 7.18 1m1jE1 TRP 389 HA 0.02 0.15 0.79 -0.75 4.62 4.82 1m1jE1 TRP 389 HB2 0.01 -0.05 0.02 -0.04 3.23 3.17 1m1jE1 TRP 389 HB3 0.01 -0.04 0.15 -0.04 3.23 3.31 1m1jE1 TRP 389 HD1 0.01 0.05 -0.14 -0.04 7.22 7.09 1m1jE1 TRP 389 HE1 0.00 -0.01 -0.08 -0.04 10.20 10.07 1m1jE1 TRP 389 HE3 -0.03 -0.21 -0.32 -0.04 7.59 6.99 1m1jE1 TRP 389 HZ2 0.00 -0.01 -0.07 -0.04 7.44 7.33 1m1jE1 TRP 389 HZ3 -0.03 0.00 -0.34 -0.04 7.13 6.72 1m1jE1 TRP 389 HH2 0.00 0.02 -0.11 -0.04 7.19 7.07 1m1jE1 LEU 390 H 0.26 0.23 -0.02 -0.55 8.37 8.29 1m1jE1 LEU 390 HA 0.05 0.11 0.54 -0.75 4.35 4.29 1m1jE1 LEU 390 HB2 0.11 -0.02 0.17 -0.04 1.64 1.86 1m1jE1 LEU 390 HB3 0.05 -0.00 0.02 -0.04 1.64 1.67 1m1jE1 LEU 390 HG 0.05 0.02 -0.03 -0.04 1.64 1.64 1m1jE1 LEU 390 HD13 0.11 0.04 -0.24 -0.04 0.93 0.80 1m1jE1 LEU 390 HD23 0.06 -0.00 -0.00 -0.04 0.89 0.90 1m1jE1 THR 391 H -0.11 0.36 0.26 -0.55 8.28 8.24 1m1jE1 THR 391 HA -0.11 0.14 0.78 -0.75 4.39 4.45 1m1jE1 THR 391 HB -0.49 0.18 -0.05 -0.04 4.32 3.92 1m1jE1 THR 391 HG23 -0.27 -0.26 0.16 -0.04 1.22 0.81 1m1jE1 THR 392 H -0.12 0.02 0.18 -0.55 8.28 7.82 1m1jE1 THR 392 HA -0.07 0.24 0.83 -0.75 4.39 4.64 1m1jE1 THR 392 HB -0.05 0.02 0.07 -0.04 4.32 4.32 1m1jE1 THR 392 HG23 -0.04 0.01 -0.10 -0.04 1.22 1.06 1m1jE1 ASP 393 H -0.15 -0.08 0.10 -0.55 8.40 7.72 1m1jE1 ASP 393 HA -0.08 0.17 0.53 -0.75 4.63 4.49 1m1jE1 ASP 393 HB2 -0.11 0.04 0.14 -0.04 2.71 2.74 1m1jE1 ASP 393 HB3 -0.22 -0.01 0.19 -0.04 2.70 2.62 1m1jE1 PRO 394 HA -0.08 0.09 0.25 -0.51 4.44 4.19 1m1jE1 PRO 394 HB2 -0.03 -0.00 0.01 -0.04 2.28 2.22 1m1jE1 PRO 394 HB3 -0.03 0.03 0.08 -0.04 2.02 2.06 1m1jE1 PRO 394 HG2 -0.03 0.01 0.10 -0.04 2.03 2.07 1m1jE1 PRO 394 HG3 -0.04 0.10 0.10 -0.04 2.03 2.15 1m1jE1 PRO 394 HD2 -0.05 0.02 0.22 -0.04 3.68 3.83 1m1jE1 PRO 394 HD3 -0.06 0.45 0.50 -0.04 3.65 4.50 1m1jE1 ARG 395 H -0.08 0.00 -0.55 -0.55 8.46 7.28 1m1jE1 ARG 395 HA -0.02 0.14 0.50 -0.75 4.34 4.21 1m1jE1 ARG 395 HB2 -0.03 -0.01 -0.07 -0.04 1.90 1.75 1m1jE1 ARG 395 HB3 0.04 0.04 0.02 -0.04 1.80 1.86 1m1jE1 ARG 395 HG2 0.02 0.05 -0.04 -0.04 1.67 1.65 1m1jE1 ARG 395 HG3 -0.02 -0.08 -0.04 -0.04 1.67 1.48 1m1jE1 ARG 395 HD2 0.01 0.01 -0.02 -0.04 3.22 3.18 1m1jE1 ARG 395 HD3 -0.01 -0.03 -0.03 -0.04 3.22 3.12 1m1jE1 LYS 396 H -0.25 0.43 -0.24 -0.55 8.42 7.80 1m1jE1 LYS 396 HA -0.31 0.16 0.71 -0.75 4.32 4.13 1m1jE1 LYS 396 HB2 -0.71 0.02 0.16 -0.04 1.87 1.29 1m1jE1 LYS 396 HB3 -2.08 -0.01 0.06 -0.04 1.79 -0.28 1m1jE1 LYS 396 HG2 -0.11 0.06 -0.08 -0.04 1.46 1.29 1m1jE1 LYS 396 HG3 -0.18 -0.08 -0.09 -0.04 1.46 1.06 1m1jE1 LYS 396 HD2 -0.22 -0.08 0.03 -0.04 1.69 1.37 1m1jE1 LYS 396 HD3 -0.11 0.02 -0.02 -0.04 1.68 1.53 1m1jE1 LYS 396 HE2 0.12 0.04 -0.04 -0.04 2.99 3.07 1m1jE1 LYS 396 HE3 -0.00 -0.02 -0.03 -0.04 2.99 2.90 1m1jE1 GLN 397 H -0.09 0.45 -0.09 -0.55 8.47 8.18 1m1jE1 GLN 397 HA 0.01 0.19 0.77 -0.75 4.36 4.57 1m1jE1 GLN 397 HB2 0.00 -0.22 -0.06 -0.04 2.15 1.83 1m1jE1 GLN 397 HB3 0.01 -0.04 0.03 -0.04 2.02 1.98 1m1jE1 GLN 397 HG2 -0.15 0.07 -0.62 -0.04 2.40 1.66 1m1jE1 GLN 397 HG3 -0.07 0.17 -0.24 -0.04 2.39 2.20 1m1jE1 GLN 397 HE21 -0.03 -0.04 -0.06 -0.04 6.97 6.80 1m1jE1 GLN 397 HE22 -0.06 0.05 -0.10 -0.04 7.69 7.53 1m1jE1 CYS 398 H 0.21 0.20 0.08 -0.55 8.50 8.44 1m1jE1 CYS 398 HA 0.00 0.11 0.33 -0.75 4.58 4.27 1m1jE1 CYS 398 HB2 -0.19 0.01 0.07 -0.04 2.97 2.81 1m1jE1 CYS 398 HB3 -0.78 0.04 -0.03 -0.04 2.97 2.15 1m1jE1 SER 399 H -0.02 0.07 -0.23 -0.55 8.46 7.74 1m1jE1 SER 399 HA 0.11 0.20 0.30 -0.75 4.49 4.34 1m1jE1 SER 399 HB2 0.18 0.03 -0.24 -0.04 3.95 3.88 1m1jE1 SER 399 HB3 0.10 0.01 -0.45 -0.04 3.93 3.55 1m1jE1 LYS 400 H 0.01 0.08 -0.30 -0.55 8.42 7.66 1m1jE1 LYS 400 HA 0.03 0.05 0.41 -0.75 4.32 4.05 1m1jE1 LYS 400 HB2 -0.04 0.05 0.08 -0.04 1.87 1.92 1m1jE1 LYS 400 HB3 -0.09 0.04 0.03 -0.04 1.79 1.73 1m1jE1 LYS 400 HG2 0.09 -0.02 0.07 -0.04 1.46 1.56 1m1jE1 LYS 400 HG3 0.08 -0.11 0.04 -0.04 1.46 1.43 1m1jE1 LYS 400 HD2 -0.00 0.12 0.06 -0.04 1.69 1.83 1m1jE1 LYS 400 HD3 0.02 -0.05 0.04 -0.04 1.68 1.65 1m1jE1 LYS 400 HE2 0.09 -0.04 0.06 -0.04 2.99 3.06 1m1jE1 LYS 400 HE3 0.08 0.04 0.07 -0.04 2.99 3.14 1m1jE1 GLU 401 H -0.07 0.28 -0.31 -0.55 8.60 7.94 1m1jE1 GLU 401 HA -0.43 0.12 0.64 -0.75 4.29 3.87 1m1jE1 GLU 401 HB2 0.05 -0.00 0.02 -0.04 2.09 2.11 1m1jE1 GLU 401 HB3 0.08 -0.07 -0.02 -0.04 1.99 1.94 1m1jE1 GLU 401 HG2 -0.05 0.04 -0.02 -0.04 2.34 2.27 1m1jE1 GLU 401 HG3 0.09 0.22 0.06 -0.04 2.34 2.67 1m1jE1 ASP 402 H -0.10 0.79 0.00 -0.55 8.40 8.54 1m1jE1 ASP 402 HA 0.10 0.09 0.72 -0.75 4.63 4.78 1m1jE1 ASP 402 HB2 -0.18 0.05 -0.03 -0.04 2.71 2.51 1m1jE1 ASP 402 HB3 0.12 0.03 0.05 -0.04 2.70 2.86 1m1jE1 GLY 403 H 0.04 0.16 -0.60 -0.55 8.43 7.48 1m1jE1 GLY 403 HA2 0.10 0.00 0.22 -0.51 4.01 3.83 1m1jE1 GLY 403 HA3 0.10 -0.02 0.22 -0.51 4.01 3.80 1m1jE1 GLY 404 H 0.20 0.19 -0.10 -0.55 8.43 8.18 1m1jE1 GLY 404 HA2 0.21 0.19 0.65 -0.51 4.01 4.55 1m1jE1 GLY 404 HA3 0.10 0.25 0.22 -0.51 4.01 4.07 1m1jE1 GLY 405 H -0.22 0.28 0.27 -0.55 8.43 8.21 1m1jE1 GLY 405 HA2 -0.61 0.25 0.96 -0.51 4.01 4.10 1m1jE1 GLY 405 HA3 -1.61 -0.03 0.38 -0.51 4.01 2.24 1m1jE1 TRP 406 H -1.17 0.50 0.35 -0.55 7.97 7.11 1m1jE1 TRP 406 HA -1.03 0.09 0.43 -0.75 4.62 3.35 1m1jE1 TRP 406 HB2 -0.76 0.14 -0.46 -0.04 3.23 2.11 1m1jE1 TRP 406 HB3 -1.91 -0.02 -0.25 -0.04 3.23 1.01 1m1jE1 TRP 406 HD1 -0.47 0.01 -0.28 -0.04 7.22 6.44 1m1jE1 TRP 406 HE1 -1.07 -0.01 0.05 -0.04 10.20 9.13 1m1jE1 TRP 406 HE3 -0.31 0.18 0.11 -0.04 7.59 7.52 1m1jE1 TRP 406 HZ2 0.02 -0.06 -0.05 -0.04 7.44 7.30 1m1jE1 TRP 406 HZ3 0.50 0.02 -0.04 -0.04 7.13 7.56 1m1jE1 TRP 406 HH2 0.39 -0.02 -0.06 -0.04 7.19 7.46 1m1jE1 TRP 407 H -1.81 0.14 0.05 -0.55 7.97 5.80 1m1jE1 TRP 407 HA -0.20 0.49 0.69 -0.75 4.62 4.84 1m1jE1 TRP 407 HB2 -0.85 -0.13 0.18 -0.04 3.23 2.39 1m1jE1 TRP 407 HB3 -0.21 0.11 0.07 -0.04 3.23 3.16 1m1jE1 TRP 407 HD1 0.09 0.14 -0.46 -0.04 7.22 6.95 1m1jE1 TRP 407 HE1 0.19 0.69 0.05 -0.04 10.20 11.09 1m1jE1 TRP 407 HE3 -2.17 -0.06 0.02 -0.04 7.59 5.35 1m1jE1 TRP 407 HZ2 0.05 0.05 -0.07 -0.04 7.44 7.43 1m1jE1 TRP 407 HZ3 -0.17 -0.04 -0.04 -0.04 7.13 6.83 1m1jE1 TRP 407 HH2 0.43 -0.02 -0.08 -0.04 7.19 7.49 1m1jE1 TYR 408 H -0.03 0.34 -0.12 -0.55 8.29 7.93 1m1jE1 TYR 408 HA 0.39 0.22 0.59 -0.75 4.56 5.02 1m1jE1 TYR 408 HB2 0.10 -0.03 0.13 -0.04 3.06 3.21 1m1jE1 TYR 408 HB3 0.18 -0.10 0.02 -0.04 2.98 3.03 1m1jE1 TYR 408 HD2 0.20 0.11 -0.10 -0.04 7.15 7.32 1m1jE1 TYR 408 HE2 0.01 0.18 -0.17 -0.04 6.85 6.84 1m1jE1 ASN 409 H 0.30 0.48 0.16 -0.55 8.53 8.92 1m1jE1 ASN 409 HA 0.13 0.17 0.81 -0.75 4.76 5.11 1m1jE1 ASN 409 HB2 0.01 0.27 0.02 -0.04 2.88 3.14 1m1jE1 ASN 409 HB3 -0.03 0.02 0.03 -0.04 2.79 2.77 1m1jE1 ASN 409 HD21 0.01 0.03 0.06 -0.04 7.03 7.08 1m1jE1 ASN 409 HD22 0.06 -0.12 0.09 -0.04 7.74 7.72 1m1jE1 ARG 410 H -0.03 0.67 0.12 -0.55 8.46 8.67 1m1jE1 ARG 410 HA -0.10 0.05 0.43 -0.75 4.34 3.97 1m1jE1 ARG 410 HB2 -0.09 0.03 0.16 -0.04 1.90 1.96 1m1jE1 ARG 410 HB3 -0.15 0.12 0.22 -0.04 1.80 1.94 1m1jE1 ARG 410 HG2 -0.23 -0.02 0.08 -0.04 1.67 1.46 1m1jE1 ARG 410 HG3 -0.49 -0.05 0.10 -0.04 1.67 1.19 1m1jE1 ARG 410 HD2 -0.31 -0.05 -0.00 -0.04 3.22 2.81 1m1jE1 ARG 410 HD3 -0.08 0.11 0.07 -0.04 3.22 3.27 1m1jE1 CYS 411 H 0.08 0.17 -1.84 -0.55 8.50 6.36 1m1jE1 CYS 411 HA 0.12 -0.06 0.20 -0.75 4.58 4.09 1m1jE1 CYS 411 HB2 -0.23 0.35 0.44 -0.04 2.97 3.49 1m1jE1 CYS 411 HB3 -0.09 0.01 0.09 -0.04 2.97 2.94 1m1jE1 HIS 412 H -0.20 0.29 0.13 -0.55 8.41 8.08 1m1jE1 HIS 412 HA 0.03 0.10 0.49 -0.75 4.63 4.50 1m1jE1 HIS 412 HB2 0.55 -0.07 0.05 -0.04 3.26 3.75 1m1jE1 HIS 412 HB3 0.61 0.11 -0.62 -0.04 3.20 3.26 1m1jE1 HIS 412 HD2 0.16 -0.06 -0.25 -0.04 6.97 6.77 1m1jE1 HIS 412 HE1 -0.08 -0.00 -0.17 -0.04 7.75 7.45 1m1jE1 ALA 413 H 0.51 0.01 0.22 -0.55 8.40 8.59 1m1jE1 ALA 413 HA -0.06 0.10 0.79 -0.75 4.34 4.42 1m1jE1 ALA 413 HB3 -0.11 0.04 0.06 -0.04 1.41 1.36 1m1jE1 ALA 414 H 0.59 -0.01 0.17 -0.55 8.40 8.61 1m1jE1 ALA 414 HA -0.11 0.32 0.91 -0.75 4.34 4.71 1m1jE1 ALA 414 HB3 -0.45 -0.01 -0.01 -0.04 1.41 0.90 1m1jE1 ASN 415 H -0.19 0.91 0.21 -0.55 8.53 8.92 1m1jE1 ASN 415 HA -1.03 0.15 0.74 -0.75 4.76 3.86 1m1jE1 ASN 415 HB2 -1.38 -0.06 -0.23 -0.04 2.88 1.16 1m1jE1 ASN 415 HB3 -0.37 -0.02 0.20 -0.04 2.79 2.56 1m1jE1 ASN 415 HD21 -0.01 0.42 -0.00 -0.04 7.03 7.40 1m1jE1 ASN 415 HD22 -0.11 0.17 -0.11 -0.04 7.74 7.65 1m1jE1 PRO 416 HA -0.17 0.03 0.29 -0.51 4.44 4.08 1m1jE1 PRO 416 HB2 -0.39 0.06 -0.07 -0.04 2.28 1.84 1m1jE1 PRO 416 HB3 -0.05 0.02 -0.07 -0.04 2.02 1.89 1m1jE1 PRO 416 HG2 -0.07 0.05 -0.06 -0.04 2.03 1.90 1m1jE1 PRO 416 HG3 0.15 0.01 -0.07 -0.04 2.03 2.07 1m1jE1 PRO 416 HD2 -2.87 0.14 -0.02 -0.04 3.68 0.88 1m1jE1 PRO 416 HD3 -0.77 0.05 -0.60 -0.04 3.65 2.29 1m1jE1 ASN 417 H -0.66 0.11 -0.32 -0.55 8.53 7.11 1m1jE1 ASN 417 HA -0.22 0.12 0.64 -0.75 4.76 4.55 1m1jE1 ASN 417 HB2 -0.13 0.07 0.07 -0.04 2.88 2.85 1m1jE1 ASN 417 HB3 0.32 -0.00 0.29 -0.04 2.79 3.36 1m1jE1 ASN 417 HD21 -0.95 -0.10 0.02 -0.04 7.03 5.97 1m1jE1 ASN 417 HD22 -0.25 0.54 0.20 -0.04 7.74 8.19 1m1jE1 GLY 418 H -0.21 0.20 -0.72 -0.55 8.43 7.16 1m1jE1 GLY 418 HA2 -0.03 0.19 0.15 -0.51 4.01 3.81 1m1jE1 GLY 418 HA3 -0.08 0.07 -0.03 -0.51 4.01 3.46 1m1jE1 ARG 419 H 0.01 0.11 0.10 -0.55 8.46 8.13 1m1jE1 ARG 419 HA 0.02 0.13 0.82 -0.75 4.34 4.56 1m1jE1 ARG 419 HB2 -0.04 -0.01 -0.07 -0.04 1.90 1.74 1m1jE1 ARG 419 HB3 -0.29 -0.03 -0.13 -0.04 1.80 1.31 1m1jE1 ARG 419 HG2 0.01 -0.05 0.02 -0.04 1.67 1.61 1m1jE1 ARG 419 HG3 0.05 0.23 -0.30 -0.04 1.67 1.62 1m1jE1 ARG 419 HD2 0.07 0.01 -0.06 -0.04 3.22 3.20 1m1jE1 ARG 419 HD3 0.09 -0.05 -0.14 -0.04 3.22 3.08 1m1jE1 TYR 420 H 0.13 0.19 0.03 -0.55 8.29 8.08 1m1jE1 TYR 420 HA 0.04 0.10 0.45 -0.75 4.56 4.39 1m1jE1 TYR 420 HB2 0.04 -0.03 0.11 -0.04 3.06 3.13 1m1jE1 TYR 420 HB3 0.10 0.06 0.18 -0.04 2.98 3.28 1m1jE1 TYR 420 HD2 0.18 -0.01 -0.20 -0.04 7.15 7.08 1m1jE1 TYR 420 HE2 0.15 0.02 -0.22 -0.04 6.85 6.76 1m1jE1 TYR 421 H -0.04 0.22 0.23 -0.55 8.29 8.14 1m1jE1 TYR 421 HA -0.02 0.08 0.51 -0.75 4.56 4.38 1m1jE1 TYR 421 HB2 -0.38 -0.06 0.01 -0.04 3.06 2.58 1m1jE1 TYR 421 HB3 -0.22 0.11 -0.17 -0.04 2.98 2.66 1m1jE1 TYR 421 HD2 -0.28 0.06 -0.01 -0.04 7.15 6.88 1m1jE1 TYR 421 HE2 -0.10 0.01 -0.25 -0.04 6.85 6.47 1m1jE1 TRP 422 H 0.22 0.14 0.14 -0.55 7.97 7.91 1m1jE1 TRP 422 HA -0.25 0.12 0.53 -0.75 4.62 4.26 1m1jE1 TRP 422 HB2 0.04 0.07 0.08 -0.04 3.23 3.38 1m1jE1 TRP 422 HB3 -0.11 -0.01 0.08 -0.04 3.23 3.15 1m1jE1 TRP 422 HD1 -0.16 -0.01 -0.15 -0.04 7.22 6.85 1m1jE1 TRP 422 HE1 0.10 -0.00 0.00 -0.04 10.20 10.25 1m1jE1 TRP 422 HE3 0.42 0.03 -0.07 -0.04 7.59 7.93 1m1jE1 TRP 422 HZ2 0.24 -0.01 0.01 -0.04 7.44 7.64 1m1jE1 TRP 422 HZ3 0.19 0.10 0.01 -0.04 7.13 7.40 1m1jE1 TRP 422 HH2 0.17 0.00 0.03 -0.04 7.19 7.35 1m1jE1 GLY 423 H -3.50 0.18 0.10 -0.55 8.43 4.67 1m1jE1 GLY 423 HA2 -1.16 0.02 0.40 -0.51 4.01 2.76 1m1jE1 GLY 423 HA3 -0.63 0.18 0.66 -0.51 4.01 3.71 1m1jE1 GLY 424 H -1.07 0.27 -0.73 -0.55 8.43 6.35 1m1jE1 GLY 424 HA2 -0.77 0.39 0.38 -0.51 4.01 3.50 1m1jE1 GLY 424 HA3 -1.20 0.07 0.76 -0.51 4.01 3.13 1m1jE1 THR 425 H -0.42 0.22 -0.36 -0.55 8.28 7.18 1m1jE1 THR 425 HA -0.05 0.23 0.69 -0.75 4.39 4.51 1m1jE1 THR 425 HB -0.08 -0.02 0.05 -0.04 4.32 4.23 1m1jE1 THR 425 HG23 0.01 0.01 -0.08 -0.04 1.22 1.12 1m1jE1 TYR 426 H 0.10 0.54 0.21 -0.55 8.29 8.59 1m1jE1 TYR 426 HA -0.12 0.12 0.54 -0.75 4.56 4.34 1m1jE1 TYR 426 HB2 -0.40 -0.02 0.03 -0.04 3.06 2.62 1m1jE1 TYR 426 HB3 -0.40 0.08 -0.37 -0.04 2.98 2.25 1m1jE1 TYR 426 HD2 -0.37 0.09 -0.29 -0.04 7.15 6.54 1m1jE1 TYR 426 HE2 -0.04 -0.02 -0.23 -0.04 6.85 6.52 1m1jE1 SER 427 H -0.09 0.20 0.13 -0.55 8.46 8.15 1m1jE1 SER 427 HA -0.63 0.24 0.93 -0.75 4.49 4.27 1m1jE1 SER 427 HB2 -0.49 -0.06 0.07 -0.04 3.95 3.43 1m1jE1 SER 427 HB3 -0.29 0.11 -0.07 -0.04 3.93 3.64 1m1jE1 TRP 428 H -0.85 0.21 0.12 -0.55 7.97 6.90 1m1jE1 TRP 428 HA -0.12 0.12 0.26 -0.75 4.62 4.12 1m1jE1 TRP 428 HB2 -0.14 0.25 0.14 -0.04 3.23 3.45 1m1jE1 TRP 428 HB3 -0.85 -0.01 0.12 -0.04 3.23 2.44 1m1jE1 TRP 428 HD1 -0.59 -0.02 0.08 -0.04 7.22 6.65 1m1jE1 TRP 428 HE1 -0.20 0.02 -0.00 -0.04 10.20 9.97 1m1jE1 TRP 428 HE3 -0.03 0.03 -0.15 -0.04 7.59 7.39 1m1jE1 TRP 428 HZ2 -0.09 0.00 -0.02 -0.04 7.44 7.29 1m1jE1 TRP 428 HZ3 -0.02 0.03 -0.06 -0.04 7.13 7.03 1m1jE1 TRP 428 HH2 -0.04 0.01 -0.03 -0.04 7.19 7.09 1m1jE1 ASP 429 H -1.46 0.03 -0.38 -0.55 8.40 6.04 1m1jE1 ASP 429 HA -0.99 0.19 0.55 -0.75 4.63 3.63 1m1jE1 ASP 429 HB2 -0.70 0.06 0.12 -0.04 2.71 2.15 1m1jE1 ASP 429 HB3 -1.98 -0.00 0.05 -0.04 2.70 0.72 1m1jE1 MET 430 H -0.21 0.37 -0.41 -0.55 8.47 7.68 1m1jE1 MET 430 HA -0.04 0.18 0.80 -0.75 4.52 4.71 1m1jE1 MET 430 HB2 0.11 0.11 0.12 -0.04 2.15 2.45 1m1jE1 MET 430 HB3 0.24 -0.01 0.02 -0.04 2.03 2.24 1m1jE1 MET 430 HG2 -0.01 0.07 -0.01 -0.04 2.63 2.64 1m1jE1 MET 430 HG3 -0.14 -0.08 -0.19 -0.04 2.56 2.11 1m1jE1 MET 430 HE3 0.16 0.05 0.03 -0.04 2.10 2.29 1m1jE1 ALA 431 H 0.13 0.08 -0.06 -0.55 8.40 8.01 1m1jE1 ALA 431 HA 0.37 0.06 0.46 -0.75 4.34 4.48 1m1jE1 ALA 431 HB3 0.42 -0.02 0.06 -0.04 1.41 1.82 1m1jE1 LYS 432 H 0.23 0.14 0.15 -0.55 8.42 8.39 1m1jE1 LYS 432 HA 0.05 0.11 0.37 -0.75 4.32 4.09 1m1jE1 LYS 432 HB2 0.34 -0.03 0.16 -0.04 1.87 2.29 1m1jE1 LYS 432 HB3 0.17 0.04 0.01 -0.04 1.79 1.97 1m1jE1 LYS 432 HG2 0.10 -0.00 0.10 -0.04 1.46 1.61 1m1jE1 LYS 432 HG3 0.12 0.02 0.05 -0.04 1.46 1.62 1m1jE1 LYS 432 HD2 0.01 0.02 0.06 -0.04 1.69 1.74 1m1jE1 LYS 432 HD3 0.03 0.00 0.03 -0.04 1.68 1.70 1m1jE1 LYS 432 HE2 0.09 0.01 0.02 -0.04 2.99 3.06 1m1jE1 LYS 432 HE3 0.06 0.01 0.01 -0.04 2.99 3.02 1m1jE1 HIS 433 H 0.38 0.05 -0.17 -0.55 8.41 8.13 1m1jE1 HIS 433 HA 0.12 0.26 0.85 -0.75 4.63 5.11 1m1jE1 HIS 433 HB2 0.14 0.00 0.12 -0.04 3.26 3.49 1m1jE1 HIS 433 HB3 0.13 -0.01 0.17 -0.04 3.20 3.45 1m1jE1 HIS 433 HD2 0.07 -0.03 -0.03 -0.04 6.97 6.94 1m1jE1 HIS 433 HE1 0.03 -0.02 -0.01 -0.04 7.75 7.71 1m1jE1 GLY 434 H 0.24 0.49 -0.44 -0.55 8.43 8.18 1m1jE1 GLY 434 HA2 0.36 0.37 0.45 -0.51 4.01 4.67 1m1jE1 GLY 434 HA3 0.38 0.00 0.29 -0.51 4.01 4.18 1m1jE1 THR 435 H 0.33 -0.04 -0.71 -0.55 8.28 7.31 1m1jE1 THR 435 HA 0.35 0.17 0.69 -0.75 4.39 4.85 1m1jE1 THR 435 HB 0.12 -0.09 -0.01 -0.04 4.32 4.30 1m1jE1 THR 435 HG23 0.19 0.07 -0.09 -0.04 1.22 1.35 1m1jE1 ASP 436 H 0.01 0.16 -0.01 -0.55 8.40 8.02 1m1jE1 ASP 436 HA -0.19 0.11 0.61 -0.75 4.63 4.40 1m1jE1 ASP 436 HB2 -0.56 0.20 0.13 -0.04 2.71 2.44 1m1jE1 ASP 436 HB3 -1.60 -0.05 -0.01 -0.04 2.70 1.01 1m1jE1 ASP 437 H 0.36 0.29 -0.15 -0.55 8.40 8.35 1m1jE1 ASP 437 HA 0.15 0.21 0.66 -0.75 4.63 4.90 1m1jE1 ASP 437 HB2 0.15 0.09 -0.18 -0.04 2.71 2.73 1m1jE1 ASP 437 HB3 0.19 0.13 0.01 -0.04 2.70 2.99 1m1jE1 GLY 438 H 0.18 0.02 -0.38 -0.55 8.43 7.70 1m1jE1 GLY 438 HA2 0.11 0.14 0.56 -0.51 4.01 4.31 1m1jE1 GLY 438 HA3 -0.29 0.01 0.22 -0.51 4.01 3.44 1m1jE1 ILE 439 H -0.05 0.19 0.11 -0.55 8.25 7.95 1m1jE1 ILE 439 HA -0.09 0.36 0.60 -0.75 4.18 4.30 1m1jE1 ILE 439 HB -0.05 -0.05 0.17 -0.04 1.89 1.92 1m1jE1 ILE 439 HG12 -0.11 0.14 -0.19 -0.04 1.49 1.28 1m1jE1 ILE 439 HG13 -0.06 -0.05 -0.32 -0.04 1.21 0.74 1m1jE1 ILE 439 HG23 -0.03 0.00 -0.12 -0.04 0.93 0.74 1m1jE1 ILE 439 HD13 -0.04 0.00 -0.19 -0.04 0.88 0.61 1m1jE1 VAL 440 H -0.08 0.38 0.03 -0.55 8.24 8.03 1m1jE1 VAL 440 HA 0.16 0.29 1.04 -0.75 4.13 4.87 1m1jE1 VAL 440 HB 0.04 0.01 -0.08 -0.04 2.12 2.04 1m1jE1 VAL 440 HG13 0.06 -0.01 -0.20 -0.04 0.97 0.77 1m1jE1 VAL 440 HG23 0.07 0.06 -0.39 -0.04 0.95 0.65 1m1jE1 TRP 441 H 0.32 0.33 -0.02 -0.55 7.97 8.05 1m1jE1 TRP 441 HA 0.12 0.11 0.81 -0.75 4.62 4.91 1m1jE1 TRP 441 HB2 0.15 0.03 -0.13 -0.04 3.23 3.23 1m1jE1 TRP 441 HB3 0.31 -0.01 0.15 -0.04 3.23 3.64 1m1jE1 TRP 441 HD1 0.24 0.05 -0.10 -0.04 7.22 7.37 1m1jE1 TRP 441 HE1 0.11 0.21 -0.37 -0.04 10.20 10.10 1m1jE1 TRP 441 HE3 0.04 0.04 -0.08 -0.04 7.59 7.55 1m1jE1 TRP 441 HZ2 0.27 -0.10 -0.06 -0.04 7.44 7.51 1m1jE1 TRP 441 HZ3 0.16 0.03 -0.07 -0.04 7.13 7.21 1m1jE1 TRP 441 HH2 0.25 -0.01 -0.05 -0.04 7.19 7.34 1m1jE1 MET 442 H -0.05 0.76 0.12 -0.55 8.47 8.76 1m1jE1 MET 442 HA 0.01 0.16 0.37 -0.75 4.52 4.30 1m1jE1 MET 442 HB2 -0.11 0.05 0.26 -0.04 2.15 2.30 1m1jE1 MET 442 HB3 -0.08 -0.12 0.01 -0.04 2.03 1.80 1m1jE1 MET 442 HG2 -0.10 -0.08 -0.23 -0.04 2.63 2.17 1m1jE1 MET 442 HG3 -0.01 0.12 -0.06 -0.04 2.56 2.57 1m1jE1 MET 442 HE3 -0.15 -0.04 -0.03 -0.04 2.10 1.85 1m1jE1 ASN 443 H -0.16 0.16 -0.11 -0.55 8.53 7.87 1m1jE1 ASN 443 HA 0.03 -0.08 0.30 -0.75 4.76 4.26 1m1jE1 ASN 443 HB2 0.12 0.25 0.04 -0.04 2.88 3.24 1m1jE1 ASN 443 HB3 0.08 -0.02 0.12 -0.04 2.79 2.92 1m1jE1 ASN 443 HD21 -0.12 0.56 -0.21 -0.04 7.03 7.22 1m1jE1 ASN 443 HD22 -0.05 -0.08 -0.29 -0.04 7.74 7.28 1m1jE1 TRP 444 H 0.33 0.20 -0.80 -0.55 7.97 7.15 1m1jE1 TRP 444 HA 0.10 0.21 1.05 -0.75 4.62 5.22 1m1jE1 TRP 444 HB2 0.31 0.17 -0.04 -0.04 3.23 3.62 1m1jE1 TRP 444 HB3 0.28 0.00 0.08 -0.04 3.23 3.56 1m1jE1 TRP 444 HD1 0.04 0.05 0.13 -0.04 7.22 7.40 1m1jE1 TRP 444 HE1 -0.02 -0.01 -0.03 -0.04 10.20 10.10 1m1jE1 TRP 444 HE3 0.07 0.01 -0.11 -0.04 7.59 7.52 1m1jE1 TRP 444 HZ2 -0.05 -0.04 -0.18 -0.04 7.44 7.12 1m1jE1 TRP 444 HZ3 -0.01 -0.02 -0.27 -0.04 7.13 6.78 1m1jE1 TRP 444 HH2 -0.05 -0.04 -0.14 -0.04 7.19 6.92 1m1jE1 LYS 445 H 0.12 0.28 0.25 -0.55 8.42 8.51 1m1jE1 LYS 445 HA -0.40 0.23 0.96 -0.75 4.32 4.36 1m1jE1 LYS 445 HB2 -0.16 0.04 -0.02 -0.04 1.87 1.69 1m1jE1 LYS 445 HB3 -0.47 -0.04 0.05 -0.04 1.79 1.29 1m1jE1 LYS 445 HG2 -1.95 -0.01 -0.44 -0.04 1.46 -0.97 1m1jE1 LYS 445 HG3 -1.19 -0.05 -0.13 -0.04 1.46 0.05 1m1jE1 LYS 445 HD2 -1.38 -0.04 -0.02 -0.04 1.69 0.21 1m1jE1 LYS 445 HD3 -0.95 0.11 0.03 -0.04 1.68 0.83 1m1jE1 LYS 445 HE2 -1.90 0.07 -0.08 -0.04 2.99 1.04 1m1jE1 LYS 445 HE3 -1.56 -0.10 -0.06 -0.04 2.99 1.23 1m1jE1 GLY 446 H 0.01 0.40 0.26 -0.55 8.43 8.56 1m1jE1 GLY 446 HA2 -0.04 0.02 0.35 -0.51 4.01 3.83 1m1jE1 GLY 446 HA3 -0.03 0.14 0.71 -0.51 4.01 4.31 1m1jE1 SER 447 H -0.22 0.14 0.15 -0.55 8.46 7.99 1m1jE1 SER 447 HA -0.28 0.17 0.69 -0.75 4.49 4.32 1m1jE1 SER 447 HB2 -0.88 0.01 0.08 -0.04 3.95 3.11 1m1jE1 SER 447 HB3 -1.10 0.00 0.05 -0.04 3.93 2.84 1m1jE1 TRP 448 H -0.19 0.08 -0.09 -0.55 7.97 7.23 1m1jE1 TRP 448 HA -0.59 0.20 0.85 -0.75 4.62 4.32 1m1jE1 TRP 448 HB2 -0.13 -0.01 0.19 -0.04 3.23 3.23 1m1jE1 TRP 448 HB3 -0.37 0.44 0.33 -0.04 3.23 3.58 1m1jE1 TRP 448 HD1 -0.07 0.02 0.04 -0.04 7.22 7.17 1m1jE1 TRP 448 HE1 -0.05 0.03 -0.02 -0.04 10.20 10.11 1m1jE1 TRP 448 HE3 -1.39 0.09 -0.32 -0.04 7.59 5.93 1m1jE1 TRP 448 HZ2 -0.01 0.04 -0.06 -0.04 7.44 7.37 1m1jE1 TRP 448 HZ3 -0.13 0.10 -0.38 -0.04 7.13 6.68 1m1jE1 TRP 448 HH2 0.10 0.15 -0.46 -0.04 7.19 6.94 1m1jE1 TYR 449 H 0.21 0.28 -0.60 -0.55 8.29 7.62 1m1jE1 TYR 449 HA 0.15 0.37 0.67 -0.75 4.56 5.00 1m1jE1 TYR 449 HB2 -0.01 0.05 -0.27 -0.04 3.06 2.80 1m1jE1 TYR 449 HB3 -0.02 -0.07 -0.13 -0.04 2.98 2.72 1m1jE1 TYR 449 HD2 -0.00 0.00 -0.30 -0.04 7.15 6.80 1m1jE1 TYR 449 HE2 0.07 -0.06 -0.03 -0.04 6.85 6.80 1m1jE1 SER 450 H -0.28 0.83 0.22 -0.55 8.46 8.69 1m1jE1 SER 450 HA 0.04 0.29 0.76 -0.75 4.49 4.82 1m1jE1 SER 450 HB2 -0.35 -0.05 0.03 -0.04 3.95 3.54 1m1jE1 SER 450 HB3 -0.16 0.10 0.14 -0.04 3.93 3.97 1m1jE1 MET 451 H 0.12 0.56 0.22 -0.55 8.47 8.83 1m1jE1 MET 451 HA 0.30 -0.05 0.40 -0.75 4.52 4.42 1m1jE1 MET 451 HB2 0.12 0.03 0.06 -0.04 2.15 2.32 1m1jE1 MET 451 HB3 0.04 0.05 -0.14 -0.04 2.03 1.94 1m1jE1 MET 451 HG2 0.21 -0.06 0.00 -0.04 2.63 2.74 1m1jE1 MET 451 HG3 0.26 0.15 0.02 -0.04 2.56 2.95 1m1jE1 MET 451 HE3 0.45 0.02 -0.04 -0.04 2.10 2.49 1m1jE1 LYS 452 H -0.20 0.44 0.32 -0.55 8.42 8.42 1m1jE1 LYS 452 HA -0.85 0.11 0.55 -0.75 4.32 3.38 1m1jE1 LYS 452 HB2 -2.46 -0.11 -0.21 -0.04 1.87 -0.95 1m1jE1 LYS 452 HB3 -0.71 0.08 -0.16 -0.04 1.79 0.96 1m1jE1 LYS 452 HG2 -0.69 0.03 -0.19 -0.04 1.46 0.57 1m1jE1 LYS 452 HG3 -1.92 -0.02 0.01 -0.04 1.46 -0.51 1m1jE1 LYS 452 HD2 -1.26 -0.05 -0.01 -0.04 1.69 0.33 1m1jE1 LYS 452 HD3 -0.60 0.05 -0.05 -0.04 1.68 1.03 1m1jE1 LYS 452 HE2 -0.36 0.01 -0.03 -0.04 2.99 2.56 1m1jE1 LYS 452 HE3 -0.59 0.01 0.00 -0.04 2.99 2.37 1m1jE1 LYS 453 H -0.16 0.28 0.19 -0.55 8.42 8.18 1m1jE1 LYS 453 HA -0.06 0.31 0.70 -0.75 4.32 4.51 1m1jE1 LYS 453 HB2 -0.14 -0.12 0.03 -0.04 1.87 1.61 1m1jE1 LYS 453 HB3 -0.11 0.01 -0.01 -0.04 1.79 1.64 1m1jE1 LYS 453 HG2 -0.12 0.07 0.11 -0.04 1.46 1.48 1m1jE1 LYS 453 HG3 -0.22 0.01 -0.37 -0.04 1.46 0.83 1m1jE1 LYS 453 HD2 -0.14 -0.06 -0.08 -0.04 1.69 1.37 1m1jE1 LYS 453 HD3 -0.11 -0.01 -0.05 -0.04 1.68 1.46 1m1jE1 LYS 453 HE2 -0.11 0.02 -0.03 -0.04 2.99 2.84 1m1jE1 LYS 453 HE3 -0.18 0.03 -0.06 -0.04 2.99 2.73 1m1jE1 MET 454 H -0.06 0.52 0.23 -0.55 8.47 8.61 1m1jE1 MET 454 HA -0.11 0.23 0.87 -0.75 4.52 4.76 1m1jE1 MET 454 HB2 -0.03 0.03 -0.13 -0.04 2.15 1.98 1m1jE1 MET 454 HB3 -0.05 -0.03 -0.03 -0.04 2.03 1.88 1m1jE1 MET 454 HG2 -0.05 0.01 -0.06 -0.04 2.63 2.48 1m1jE1 MET 454 HG3 -0.04 -0.01 -0.32 -0.04 2.56 2.14 1m1jE1 MET 454 HE3 0.11 -0.02 -0.18 -0.04 2.10 1.96 1m1jE1 SER 455 H -0.13 0.72 0.42 -0.55 8.46 8.92 1m1jE1 SER 455 HA -0.07 0.20 0.80 -0.75 4.49 4.66 1m1jE1 SER 455 HB2 -0.12 0.04 0.17 -0.04 3.95 3.99 1m1jE1 SER 455 HB3 -0.12 0.01 -0.03 -0.04 3.93 3.75 1m1jE1 MET 456 H -0.06 0.63 0.37 -0.55 8.47 8.86 1m1jE1 MET 456 HA -0.09 0.23 0.95 -0.75 4.52 4.86 1m1jE1 MET 456 HB2 0.07 -0.07 0.15 -0.04 2.15 2.27 1m1jE1 MET 456 HB3 0.01 0.05 -0.03 -0.04 2.03 2.02 1m1jE1 MET 456 HG2 0.12 0.03 -0.08 -0.04 2.63 2.65 1m1jE1 MET 456 HG3 0.13 -0.07 -0.50 -0.04 2.56 2.08 1m1jE1 MET 456 HE3 0.36 0.01 -0.09 -0.04 2.10 2.34 1m1jE1 LYS 457 H -0.16 0.65 0.29 -0.55 8.42 8.66 1m1jE1 LYS 457 HA 0.05 0.22 0.89 -0.75 4.32 4.72 1m1jE1 LYS 457 HB2 -0.38 -0.00 0.05 -0.04 1.87 1.50 1m1jE1 LYS 457 HB3 0.24 -0.00 -0.15 -0.04 1.79 1.84 1m1jE1 LYS 457 HG2 -0.01 0.01 -0.17 -0.04 1.46 1.25 1m1jE1 LYS 457 HG3 -0.15 -0.08 -0.24 -0.04 1.46 0.94 1m1jE1 LYS 457 HD2 -0.46 0.01 -0.08 -0.04 1.69 1.12 1m1jE1 LYS 457 HD3 -0.22 -0.00 -0.09 -0.04 1.68 1.33 1m1jE1 LYS 457 HE2 -0.04 0.00 -0.07 -0.04 2.99 2.85 1m1jE1 LYS 457 HE3 -0.14 -0.01 -0.09 -0.04 2.99 2.71 1m1jE1 ILE 458 H 0.19 0.49 0.25 -0.55 8.25 8.63 1m1jE1 ILE 458 HA 0.25 0.32 1.21 -0.75 4.18 5.20 1m1jE1 ILE 458 HB 0.08 0.10 0.08 -0.04 1.89 2.10 1m1jE1 ILE 458 HG12 0.07 0.15 0.15 -0.04 1.49 1.81 1m1jE1 ILE 458 HG13 0.05 -0.06 -0.18 -0.04 1.21 0.97 1m1jE1 ILE 458 HG23 -0.11 -0.02 -0.20 -0.04 0.93 0.55 1m1jE1 ILE 458 HD13 0.10 0.00 -0.07 -0.04 0.88 0.87 1m1jE1 LYS 459 H -0.01 0.55 0.32 -0.55 8.42 8.72 1m1jE1 LYS 459 HA -0.30 0.09 0.75 -0.75 4.32 4.11 1m1jE1 LYS 459 HB2 -1.62 -0.04 -0.35 -0.04 1.87 -0.17 1m1jE1 LYS 459 HB3 -1.30 -0.08 -0.13 -0.04 1.79 0.25 1m1jE1 LYS 459 HG2 -0.58 0.20 -0.12 -0.04 1.46 0.91 1m1jE1 LYS 459 HG3 -0.67 -0.00 0.09 -0.04 1.46 0.83 1m1jE1 LYS 459 HD2 -2.18 -0.05 -0.27 -0.04 1.69 -0.85 1m1jE1 LYS 459 HD3 -1.32 -0.11 -0.14 -0.04 1.68 0.07 1m1jE1 LYS 459 HE2 -0.50 -0.08 -0.01 -0.04 2.99 2.36 1m1jE1 LYS 459 HE3 -0.61 -0.06 0.05 -0.04 2.99 2.33 1m1jE1 PRO 460 HA -0.01 0.25 0.66 -0.51 4.44 4.83 1m1jE1 PRO 460 HB2 -0.16 -0.03 0.03 -0.04 2.28 2.07 1m1jE1 PRO 460 HB3 -0.05 0.10 -0.00 -0.04 2.02 2.03 1m1jE1 PRO 460 HG2 -0.12 -0.06 0.04 -0.04 2.03 1.84 1m1jE1 PRO 460 HG3 -0.07 0.10 0.00 -0.04 2.03 2.03 1m1jE1 PRO 460 HD2 -0.27 0.09 0.25 -0.04 3.68 3.70 1m1jE1 PRO 460 HD3 -0.18 0.05 0.20 -0.04 3.65 3.68 1m1jE1 TYR 461 H 0.16 1.00 0.30 -0.55 8.29 9.20 1m1jE1 TYR 461 HA 0.07 0.05 0.66 -0.75 4.56 4.58 1m1jE1 TYR 461 HB2 0.04 -0.02 -0.13 -0.04 3.06 2.92 1m1jE1 TYR 461 HB3 0.05 -0.02 0.01 -0.04 2.98 2.98 1m1jE1 TYR 461 HD2 0.07 0.01 -0.04 -0.04 7.15 7.16 1m1jE1 TYR 461 HE2 0.05 -0.04 -0.07 -0.04 6.85 6.75 1m1jE1 PHE 462 H 0.62 0.21 0.02 -0.55 8.34 8.63 1m1jE1 PHE 462 HA -0.10 0.24 0.90 -0.75 4.62 4.90 1m1jE1 PHE 462 HB2 -0.07 0.01 0.00 -0.04 3.15 3.05 1m1jE1 PHE 462 HB3 -0.07 0.01 -0.04 -0.04 3.06 2.92 1m1jE1 PHE 462 HD2 -0.08 -0.04 0.09 -0.04 7.28 7.21 1m1jE1 PHE 462 HE2 -0.04 -0.01 0.02 -0.04 7.38 7.30 1m1jE1 PHE 462 HZ -0.04 -0.01 0.01 -0.04 7.32 7.24 1m1jE1 PRO 463 HA -0.33 0.06 0.10 -0.51 4.44 3.76 1m1jE1 PRO 463 HB2 -0.11 0.01 0.05 -0.04 2.28 2.18 1m1jE1 PRO 463 HB3 -0.13 0.00 0.06 -0.04 2.02 1.92 1m1jE1 PRO 463 HG2 -0.05 0.02 0.08 -0.04 2.03 2.04 1m1jE1 PRO 463 HG3 -0.13 0.03 0.05 -0.04 2.03 1.94 1m1jE1 PRO 463 HD2 -0.03 0.06 0.18 -0.04 3.68 3.85 1m1jE1 PRO 463 HD3 -0.05 0.55 0.33 -0.04 3.65 4.43