NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *12 W 4.6505 8.1176 121.3307 55.4916 31.1533 175.5889 13 L 4.6466 7.6930 119.5648 55.0375 38.5250 172.0081 14 E 4.9037 7.8473 120.6936 57.0775 37.4300 178.3300 15 G 3.5839 8.3008 105.7250 47.7181 0.0000 175.8717 16 I 3.9025 7.7326 115.6863 63.6223 37.5860 178.0024 17 R 4.1891 8.1209 119.4571 59.2686 29.9560 178.7854 18 K 3.0575 7.6029 118.7080 58.6856 32.0553 178.7280 19 W 4.0127 8.0336 128.5537 60.4507 30.5881 177.4143 20 Y 3.2060 9.0336 120.4976 60.4850 38.3961 176.9292 21 Y 3.8976 8.3406 120.9600 61.1502 38.5755 178.3003 22 N 4.0605 7.5759 114.8937 55.9003 38.6657 177.0947 23 A 3.5994 6.8927 121.3228 54.5086 18.3206 179.0355 24 A 3.6027 7.3553 119.3783 54.5650 18.6438 179.1809 25 G 3.5031 7.0325 103.2981 46.8657 0.0000 175.3247 26 F 4.2135 6.8100 116.4521 59.0381 37.7564 176.9612 27 N 4.5391 6.9554 117.5216 55.6001 37.1644 176.9521 28 K 2.8471 7.3459 120.3911 57.6787 31.7285 177.9817 29 L 4.5652 7.3314 117.5048 53.8093 41.9841 177.0808 30 G 3.9536 7.8638 107.1349 45.8070 0.0000 173.9233 31 L 4.5900 7.6798 118.2897 54.0013 43.0377 175.9517 32 M 5.0014 9.3805 120.5334 53.5790 34.6513 177.2777 33 R 3.1176 9.6568 121.9514 59.9858 29.9391 178.8101 34 D 4.2275 7.9903 117.2794 56.9948 40.4531 178.1440 35 D 4.4977 8.0988 118.9677 56.3441 40.8847 177.4924 36 T 4.2156 7.2353 108.3502 60.4671 69.6951 174.8465 37 I 3.6769 6.6580 122.5893 61.2145 38.6048 174.6984 38 H 4.3639 8.5755 126.8178 55.7735 30.1595 174.4899 39 E 4.1115 8.7279 127.3688 55.9372 29.5892 175.5275 40 N 5.0117 8.1534 122.4653 50.7864 40.3835 174.8326 41 D 4.3951 8.5167 116.4406 57.7129 40.6671 178.6143 42 D 4.3439 8.1038 119.1425 57.3599 40.8730 178.7312 43 V 3.6296 8.6359 119.1693 65.8897 31.5137 178.2172 44 K 3.9691 8.1590 118.3228 59.4285 31.6556 178.9814 45 E 3.9477 7.9044 118.0449 59.0296 29.9794 178.3440 46 A 4.2189 8.1141 120.8739 55.3979 18.5271 179.6915 47 I 3.7268 8.0560 118.5159 64.5424 36.9360 178.6945 48 R 3.9489 7.8633 118.6106 58.9403 29.9759 177.9265 49 R 4.1895 7.4830 115.2545 55.7641 30.8131 176.8343 50 L 3.4708 6.8718 119.8857 53.5093 42.4523 175.9641 51 P 4.4408 0.0000 0.0000 62.3790 33.3388 177.1790 52 E 3.9601 8.8065 119.5797 59.9767 29.3924 179.6678 53 N 4.3514 8.1428 116.0821 56.1712 37.3720 177.0589 54 L 3.8573 7.8259 120.9019 57.1992 41.7755 178.7228 55 Y 3.8150 8.0767 119.6382 60.8364 38.8097 177.7155 56 D 4.4292 8.6561 120.2781 57.3845 40.8669 178.5528 57 D 4.3575 8.2412 119.6064 57.2420 40.8222 178.7322 58 R 3.7155 7.6953 119.2232 59.2928 30.0644 178.6434 59 V 3.4050 7.4660 117.9646 66.0230 31.4142 177.8372 60 F 4.1450 8.2138 120.3325 61.2563 39.2526 177.3605 61 R 3.7506 8.1581 117.8223 59.1905 29.7376 179.1747 62 I 3.6430 7.6921 119.6236 64.1365 37.0947 178.3848 63 K 3.8071 7.9334 120.5233 59.3817 32.0079 178.8353 64 R 3.5831 7.7555 119.1404 59.1612 29.8451 178.4096 65 A 3.9241 7.8642 120.5595 55.1518 18.3815 179.6142 66 L 3.8974 8.1187 117.8664 57.8421 41.5186 179.3105 67 D 4.2775 8.0338 118.0731 57.2474 41.0972 178.3077 68 L 3.9515 7.9429 119.5147 57.8166 41.6189 179.3192 69 S 4.0193 8.3522 113.4828 61.7136 62.0640 175.9464 70 M 4.0654 8.0181 119.7309 58.1425 32.0358 177.4048 71 R 4.3083 7.5146 115.1320 54.8406 31.0948 176.0260 72 Q 3.3846 7.8321 117.0296 57.3982 26.8945 172.7625 73 Q 4.9177 8.2454 113.9803 54.0933 33.1688 175.4681 74 I 4.7612 8.0631 112.5783 58.9266 41.0406 174.9158 75 L 4.4684 8.5935 122.9755 53.7135 42.5648 175.6528 76 P 4.4202 0.0000 0.0000 62.2237 32.2291 177.5904 77 K 2.0000 8.5098 122.8571 58.9089 31.8252 178.2479 78 E 4.0283 7.8117 114.2161 57.9787 29.6062 177.0208 79 Q 4.5625 7.8843 117.8553 55.3609 29.5916 175.9168 80 W 4.7085 7.7455 119.1117 56.6292 29.6549 176.3451 81 T 4.1410 8.6070 119.1116 63.8401 68.7085 173.7969 82 K 4.6374 8.5478 124.6142 54.9146 33.6289 176.5524 83 Y 2.9914 8.8916 125.0736 60.6254 38.5564 178.5599 84 E 3.8288 8.1826 116.6268 58.5668 29.6529 177.4337 85 E 4.3314 7.9119 116.3537 56.1253 30.4031 175.4745 86 D 4.5648 7.4790 118.6251 53.7747 41.2904 175.3497 87 K 4.5864 8.3713 125.1329 54.3243 35.6672 176.0544 88 S 4.4176 8.4878 116.1606 57.7238 61.8426 173.5049 89 Y 4.4782 8.0460 126.6722 58.5664 38.7990 176.9893 90 L 4.3532 7.7462 122.4780 57.0825 42.0820 177.7167 91 E 3.8768 8.0340 120.0170 59.0620 29.2723 177.2420 92 P 4.1174 0.0000 0.0000 66.0931 31.1337 177.9374 93 Y 4.0568 7.6556 115.8134 60.7201 37.9861 177.7051 94 L 3.9793 8.2542 121.4586 58.0054 42.2102 178.7185 95 K 3.8594 8.3256 119.8830 59.7349 32.0830 178.3606 96 E 3.9759 7.9589 119.3454 59.0869 29.5716 178.9195 97 V 3.6188 7.8559 118.5087 66.0505 31.5306 178.1604 98 I 3.7574 7.9750 119.6794 64.2260 36.8976 178.3914 99 R 3.8882 8.1125 119.6456 59.4194 29.9112 178.4512 100 E 3.9514 8.3510 118.4327 59.3603 29.4111 179.3041 101 R 3.8824 7.9270 118.5443 59.4700 30.1712 178.6003 102 K 3.9413 8.2998 118.4586 59.5177 32.1473 178.8862 103 E 4.0710 8.2775 119.5447 59.4634 29.6008 179.1619 104 R 4.0510 8.0629 118.1695 59.2395 29.8599 178.9214 105 E 4.0653 8.2303 117.9292 59.4588 29.6221 178.9058 106 E 4.1352 8.5253 118.7534 59.2141 29.2748 179.4554 107 W 3.9844 8.2355 117.7157 59.3350 29.2355 178.1356 108 A 4.3542 8.1526 119.5501 53.1006 19.0188 178.0424 109 K 4.4839 7.3182 117.5616 54.0856 31.4712 176.5717 110 K 4.0795 7.7739 120.9157 56.5700 33.0488 176.2198 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 *12 W 8.12 4.65 0.00 2.44 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.69 4.65 0.00 1.86 1.79 0.94 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.85 4.90 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 15 G 8.30 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.73 3.90 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.88 0.89 0.00 0.00 17 R 8.12 4.19 0.00 1.96 2.06 0.00 3.50 0.00 0.00 3.49 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 18 K 7.60 3.06 0.00 1.18 1.61 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.12 7.81 19 W 8.03 4.01 0.00 3.52 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 20 Y 9.03 3.21 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.34 3.90 0.00 3.22 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 22 N 7.58 4.06 0.00 2.52 2.72 0.00 0.00 7.08 8.43 0.00 0.00 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 A 6.89 3.60 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 24 A 7.36 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.03 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 6.81 4.21 0.00 3.14 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 27 N 6.96 4.54 0.00 3.27 2.66 0.00 0.00 6.30 6.58 0.00 0.00 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 K 7.35 2.85 0.00 1.43 1.20 0.00 1.06 0.00 0.00 1.00 0.00 0.00 2.19 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.30 0.22 7.81 29 L 7.33 4.57 0.00 1.72 1.63 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.86 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.68 4.59 0.00 1.95 1.62 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 M 9.38 5.00 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 33 R 9.66 3.12 0.00 2.11 2.05 0.00 3.22 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.94 0.00 34 D 7.99 4.23 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.50 0.00 2.72 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 36 T 7.24 4.22 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 37 I 6.66 3.68 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.78 0.93 0.00 0.00 38 H 8.58 4.36 0.00 3.07 3.20 0.00 5.97 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.73 4.11 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 40 N 8.15 5.01 0.00 2.88 2.88 0.00 0.00 6.22 8.07 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 41 D 8.52 4.40 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.34 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 3.63 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.93 0.00 0.00 44 K 8.16 3.97 0.00 1.86 1.85 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.71 7.81 45 E 7.90 3.95 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 46 A 8.11 4.22 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.06 3.73 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.97 1.06 0.00 0.00 48 R 7.86 3.95 0.00 1.95 2.13 0.00 3.22 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 49 R 7.48 4.19 0.00 2.01 2.02 0.00 3.32 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 50 L 6.87 3.47 0.00 1.76 1.52 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.44 0.00 2.42 2.22 0.00 3.50 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 52 E 8.81 3.96 0.00 1.99 2.09 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 2.37 2.33 0.00 53 N 8.14 4.35 0.00 2.90 3.08 0.00 0.00 6.19 6.67 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 54 L 7.83 3.86 0.00 1.66 1.57 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.08 3.82 0.00 2.99 3.06 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 0.00 0.00 0.00 0.00 56 D 8.66 4.43 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.36 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.72 0.00 1.64 1.84 0.00 3.05 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 59 V 7.47 3.40 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.46 0.00 0.00 60 F 8.21 4.15 0.00 3.18 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 61 R 8.16 3.75 0.00 1.86 1.93 0.00 3.43 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 62 I 7.69 3.64 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.84 0.00 0.00 63 K 7.93 3.81 0.00 1.85 1.72 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.40 7.81 64 R 7.76 3.58 0.00 1.01 1.65 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 65 A 7.86 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.90 0.00 1.76 1.69 0.88 1.06 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 67 D 8.03 4.28 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.94 3.95 0.00 1.87 1.91 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.35 4.02 0.00 3.85 4.05 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 70 M 8.02 4.07 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 71 R 7.51 4.31 0.00 1.89 1.93 0.00 3.37 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 72 Q 7.83 3.38 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 73 Q 8.25 4.92 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 74 I 8.06 4.76 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.82 0.00 0.00 75 L 8.59 4.47 0.00 1.86 1.83 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.42 0.00 2.20 1.99 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 77 K 8.51 2.00 0.00 0.97 1.28 0.00 1.18 0.00 0.00 1.48 0.00 0.00 2.68 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.69 0.21 7.81 78 E 7.81 4.03 0.00 2.05 1.96 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 2.22 2.23 0.00 79 Q 7.88 4.56 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 80 W 7.75 4.71 0.00 3.42 3.06 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 0.00 0.00 0.00 0.00 81 T 8.61 4.14 4.50 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 0.00 0.00 0.00 1.42 0.00 0.00 82 K 8.55 4.64 0.00 1.87 1.94 0.00 1.90 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.63 7.81 83 Y 8.89 2.99 0.00 2.60 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.18 3.83 0.00 1.97 1.97 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 2.37 2.49 0.00 85 E 7.91 4.33 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 86 D 7.48 4.56 0.00 2.87 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 4.59 0.00 1.79 1.67 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.33 7.81 88 S 8.49 4.42 0.00 3.77 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.05 4.48 0.00 3.17 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 90 L 7.75 4.35 0.00 1.25 1.54 1.03 0.57 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 91 E 8.03 3.88 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 92 P 0.00 4.12 0.00 1.86 2.13 0.00 3.68 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 1.72 1.92 0.00 93 Y 7.66 4.06 0.00 3.20 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.25 3.98 0.00 1.78 1.68 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.33 3.86 0.00 1.86 2.00 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 96 E 7.96 3.98 0.00 2.08 2.09 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 2.31 2.37 0.00 97 V 7.86 3.62 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 1.03 0.00 0.00 1.04 0.00 0.00 98 I 7.98 3.76 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.59 0.92 0.00 0.00 99 R 8.11 3.89 0.00 2.02 2.09 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 100 E 8.35 3.95 0.00 2.21 1.98 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 0.00 2.33 2.56 0.00 101 R 7.93 3.88 0.00 1.92 2.09 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 102 K 8.30 3.94 0.00 1.97 1.88 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.62 7.81 103 E 8.28 4.07 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 104 R 8.06 4.05 0.00 2.08 1.99 0.00 3.16 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 105 E 8.23 4.07 0.00 2.14 2.04 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 2.37 2.52 0.00 106 E 8.53 4.14 0.00 2.21 1.96 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 2.47 2.51 0.00 107 W 8.24 3.98 0.00 3.43 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.15 4.35 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.32 4.48 0.00 1.81 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 110 K 7.77 4.08 0.00 1.75 1.54 0.00 1.19 0.00 0.00 1.33 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.