NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *19 K 4.2626 8.3144 122.1404 54.0502 33.7702 175.8904 20 E 3.9311 8.4788 122.1014 54.4043 29.8228 174.7816 21 I 4.5049 8.2381 118.4197 60.5120 39.9310 175.0634 22 G 3.8801 7.4262 108.3542 44.6964 0.0000 170.7118 23 N 4.8719 8.6694 118.5877 54.3514 41.9454 174.5477 24 G 3.7880 7.7839 106.4850 46.2002 0.0000 174.4226 25 G 3.5345 8.7229 109.5219 44.7513 0.0000 175.3134 26 W 4.2941 7.4269 119.0474 58.7087 27.8177 176.5696 27 D 4.7489 7.9839 117.2819 53.6368 39.9533 178.1226 28 Q 3.9913 7.6288 118.4656 59.2449 28.3212 178.2760 29 F 4.6666 6.7391 113.9555 57.7464 39.4754 175.1376 30 Q 4.1948 9.2384 123.0799 57.9809 29.6002 176.4345 31 F 5.1046 8.0571 115.5972 56.1866 44.0329 174.3727 32 L 5.1913 9.3426 122.7240 55.9225 43.3507 173.4967 33 F 4.9175 7.7312 120.3095 55.6665 41.5066 172.9918 34 F 5.3154 8.6728 117.9844 56.0934 40.4768 175.6259 35 D 4.6716 9.2926 122.6055 54.1585 41.7093 176.4501 36 P 4.3375 0.0000 0.0000 64.9445 31.4575 177.2851 37 N 4.7266 8.4866 113.6888 52.8867 38.9328 175.4229 38 G 3.7075 8.0918 106.8796 45.1878 0.0000 173.2151 39 Y 4.2560 7.9476 117.4226 57.1666 39.7927 174.0385 40 L 4.5107 9.3083 126.1309 54.1376 43.9902 174.8468 41 Y 5.0881 8.5288 123.7248 56.4487 40.9094 174.6300 42 A 4.9699 8.8577 123.0261 50.5865 23.3966 175.1599 43 V 5.5672 8.9064 122.0405 60.5962 34.0500 174.5632 44 S 4.9154 8.8166 121.7349 57.5736 66.1065 173.4050 45 N 4.2235 9.8247 123.6765 54.6121 35.9894 174.3265 46 D 4.6003 8.6082 112.8011 54.5507 40.1900 172.6139 47 K 4.7284 8.1790 116.6785 54.4982 35.8323 174.5253 48 L 5.3560 8.1180 123.2748 53.6407 44.3786 175.0816 49 Y 4.8372 9.2226 123.1934 56.0211 42.0218 174.4739 50 K 4.5462 8.3460 122.2929 54.7118 35.1105 174.8849 51 A 4.7151 8.5959 127.5124 50.7521 23.3758 175.0292 52 S 4.4774 8.7797 114.3443 57.7830 63.0117 172.3643 53 P 4.5905 0.0000 0.0000 61.5777 32.0997 174.0889 54 P 4.4370 0.0000 0.0000 63.6903 32.1414 175.8326 55 Q 3.5595 8.6521 117.9917 57.0856 25.6363 174.1722 56 S 4.3534 8.0212 110.7012 58.3493 64.0492 172.7285 57 D 5.0392 8.0319 120.2086 52.2510 43.7683 176.3259 58 T 3.9905 8.2242 117.9627 63.7060 69.0120 174.5251 59 D 4.2995 8.8611 126.0804 56.0317 42.0773 175.3234 60 N 4.1644 8.2171 115.4041 53.9509 36.8990 173.6039 61 W 4.2289 8.1959 131.0309 59.9099 31.7787 177.8409 62 I 3.5359 8.2048 117.9784 63.7760 37.6377 177.4434 63 A 4.0197 7.7419 121.3131 54.1602 18.2202 178.0544 64 R 4.3148 7.4603 109.7065 55.6819 29.8826 175.9073 65 A 3.9506 7.0167 121.2198 51.3148 19.7602 177.4548 66 T 4.0616 7.8213 116.7688 62.6686 69.1286 174.6638 67 E 4.1024 8.5849 128.2334 55.7838 30.2248 175.9755 68 I 4.4330 8.1055 117.3211 60.3946 39.1280 175.0709 69 G 4.1234 7.3238 108.1064 44.9030 0.0000 172.6647 70 S 4.7743 9.1587 111.5915 57.1204 64.4245 174.1618 71 G 4.0941 7.8062 108.1534 45.2805 0.0000 173.3374 72 G 3.6673 8.8912 109.6888 45.2757 0.0000 175.2590 73 W 4.3663 7.6484 120.9069 60.0421 29.1232 178.0818 74 S 4.6258 8.2325 111.0496 59.6264 62.3118 175.0312 75 G 3.5876 7.8859 109.7375 46.7644 0.0000 174.4990 76 F 4.5925 7.3869 118.0044 57.1921 39.6856 175.5900 77 K 4.0508 9.0436 126.8398 58.8772 32.5707 176.9610 78 F 5.1932 7.9301 116.3097 55.9854 43.9488 174.1796 79 L 4.8196 8.7776 119.5100 55.1511 44.3942 173.5001 80 F 4.7916 8.5281 120.1848 56.4634 41.5238 172.6696 81 F 5.4237 9.0383 118.4756 56.1361 41.0484 175.4474 82 H 4.5345 9.7896 122.7965 55.0350 30.4427 174.5226 83 P 4.4961 0.0000 0.0000 65.3332 31.4055 177.2159 84 N 4.3708 8.9805 114.9713 54.8482 38.4477 176.0590 85 G 3.9279 8.8387 105.4543 44.9508 0.0000 173.0162 86 Y 4.0053 7.8985 118.2900 57.6807 39.3910 174.6705 87 L 4.2662 8.7804 126.7713 54.5075 42.9253 175.0607 88 Y 4.3581 8.8471 125.2597 57.1074 39.9432 174.9536 89 A 5.0690 9.0461 123.6984 50.9008 23.3094 175.3375 90 V 5.1885 9.2639 116.2466 59.7446 34.4683 174.9470 91 R 4.4289 9.0306 125.6325 56.2360 32.6784 176.1340 92 G 3.8883 9.1711 111.2246 46.7367 0.0000 173.6492 93 Q 4.1089 8.4829 125.5505 55.6693 27.6814 173.9077 94 R 4.6397 7.6274 113.3748 54.1708 31.7420 174.5428 95 F 5.5380 8.0456 120.2217 56.9000 42.0613 173.4473 96 Y 4.9038 9.6171 123.1617 56.0169 42.2227 174.5119 97 K 4.5420 8.2591 119.2326 54.2690 35.8985 174.9080 98 A 4.5939 7.9662 122.3663 51.2952 22.5463 175.1982 99 L 4.2638 8.7037 119.2545 53.7968 42.2577 176.2442 100 P 4.3675 0.0000 0.0000 61.9356 31.7810 174.1648 101 P 4.5868 0.0000 0.0000 63.0564 31.9178 176.2148 102 V 4.3210 7.8396 109.1550 60.9901 33.9560 176.3274 103 S 4.5510 7.9020 119.5788 59.4218 63.6875 176.6548 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *19 K 8.31 4.26 0.00 1.50 1.63 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.48 7.81 20 E 8.48 3.93 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 21 I 8.24 4.50 1.88 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.48 0.93 0.00 0.00 22 G 7.43 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.67 4.87 0.00 2.74 2.79 0.00 0.00 7.03 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.72 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 7.43 4.29 0.00 3.30 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.98 4.75 0.00 2.87 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.63 3.99 0.00 1.85 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 29 F 6.74 4.67 0.00 3.12 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 9.24 4.19 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.64 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 31 F 8.06 5.10 0.00 3.34 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.34 5.19 0.00 1.69 1.68 0.68 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.73 4.92 0.00 3.14 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.67 5.32 0.00 3.09 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 9.29 4.67 0.00 3.27 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.34 0.00 2.09 2.15 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 37 N 8.49 4.73 0.00 2.99 2.97 0.00 0.00 7.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.09 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.95 4.26 0.00 3.47 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.31 4.51 0.00 1.67 1.61 0.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.53 5.09 0.00 1.55 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.86 4.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.91 5.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.29 0.00 0.00 44 S 8.82 4.92 0.00 4.22 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.82 4.22 0.00 2.96 2.90 0.00 0.00 7.05 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.61 4.60 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.18 4.73 0.00 1.69 1.34 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.58 7.81 48 L 8.12 5.36 0.00 1.59 1.44 1.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 9.22 4.84 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.35 4.55 0.00 0.79 1.26 0.00 1.30 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.01 1.09 7.81 51 A 8.60 4.72 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.78 4.48 0.00 3.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.59 0.00 2.28 2.20 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.31 0.00 54 P 0.00 4.44 0.00 2.21 2.20 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 55 Q 8.65 3.56 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.08 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 56 S 8.02 4.35 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.03 5.04 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.22 3.99 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 59 D 8.86 4.30 0.00 2.61 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.22 4.16 0.00 2.97 2.75 0.00 0.00 6.83 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.20 4.23 0.00 3.36 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.20 3.54 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.95 0.00 0.00 63 A 7.74 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.46 4.31 0.00 1.75 1.89 0.00 2.97 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 65 A 7.02 3.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.82 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 67 E 8.58 4.10 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 68 I 8.11 4.43 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 0.85 0.00 0.00 69 G 7.32 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.16 4.77 0.00 3.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.81 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.89 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 7.65 4.37 0.00 3.69 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.23 4.63 0.00 3.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.89 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.39 4.59 0.00 3.25 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 9.04 4.05 0.00 1.66 1.71 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.64 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.37 1.03 7.81 78 F 7.93 5.19 0.00 3.38 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.78 4.82 0.00 1.76 1.63 1.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.53 4.79 0.00 3.09 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.04 5.42 0.00 3.14 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 9.79 4.53 0.00 3.21 3.61 0.00 5.81 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.50 0.00 2.13 2.15 0.00 3.32 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 84 N 8.98 4.37 0.00 3.00 3.29 0.00 0.00 7.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.90 4.01 0.00 3.15 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.78 4.27 0.00 1.60 1.60 0.26 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.85 4.36 0.00 1.90 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 9.05 5.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 9.26 5.19 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.17 0.00 0.00 91 R 9.03 4.43 0.00 2.03 2.01 0.00 2.21 0.00 0.00 2.57 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.38 0.00 92 G 9.17 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.48 4.11 0.00 2.24 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 94 R 7.63 4.64 0.00 1.68 2.00 0.00 2.85 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 95 F 8.05 5.54 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 9.62 4.90 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.26 4.54 0.00 0.79 0.74 0.00 0.67 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.90 0.82 7.81 98 A 7.97 4.59 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.70 4.26 0.00 1.51 1.50 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.37 0.00 2.23 2.25 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 101 P 0.00 4.59 0.00 2.38 2.23 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 102 V 7.84 4.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 103 S 7.90 4.55 0.00 3.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.