NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 L 4.0430 8.1849 120.9513 55.7374 41.8068 175.1322 0 Y 4.6611 8.0314 115.3129 55.8239 40.2624 174.5285 1 F 4.6835 9.0433 121.9354 55.6907 41.8010 174.8867 2 Q 4.3169 8.6936 126.9969 55.3719 29.5913 175.4218 3 S 4.5655 8.4545 121.4098 57.4546 64.1152 173.6940 4 M 3.9400 8.4905 122.4641 55.9663 32.5773 175.4691 5 D 4.5348 8.6273 125.2122 53.5874 41.6140 176.7878 6 L 4.0135 8.6481 127.4842 57.5182 41.9482 179.2247 7 A 4.0396 7.9947 121.1195 54.9334 18.2174 178.1299 8 L 4.3476 7.7250 113.1090 55.0622 42.1550 176.5451 9 I 4.2162 7.7393 121.6104 59.0424 37.7907 174.0662 10 P 4.3261 0.0000 0.0000 63.0777 31.8831 176.2637 11 D 4.5762 8.8516 122.4745 56.6691 42.0348 176.4839 12 V 4.8248 7.6532 116.7716 61.0945 34.7698 174.9890 13 D 4.7846 9.3358 127.1256 52.7168 43.3892 173.7032 14 I 5.4428 8.0697 117.6114 57.8898 41.2686 174.8856 15 D 4.8057 7.5707 122.8345 53.3406 42.6398 175.5786 16 S 4.5291 8.1116 112.3321 57.5111 66.1856 173.3215 17 D 4.4863 8.6503 118.5143 53.1527 37.8890 173.0376 18 G 4.0075 7.2551 106.8370 45.7312 0.0000 168.6207 19 V 4.8805 7.9430 118.8969 61.1391 33.7290 175.5731 20 F 4.9375 7.9941 120.5091 55.4219 41.5683 173.6478 21 K 4.6889 8.6755 119.7248 57.0466 33.1769 175.5213 22 Y 5.3056 9.0157 120.4716 55.6653 42.1007 174.2162 23 V 4.4308 8.8643 112.7755 59.3822 36.3986 174.2673 24 L 5.1642 8.4957 125.5440 53.5820 44.0509 175.1427 25 I 4.8998 8.7281 126.9444 59.4564 40.9452 174.3989 26 R 4.7341 9.1021 127.8853 55.3056 31.4395 174.9057 27 V 4.7217 8.7186 127.2897 61.6418 33.8980 173.9159 28 H 5.3136 9.0729 125.0474 53.8993 30.6871 175.1279 29 S 4.1736 9.8418 119.3470 60.7183 62.9505 174.0436 30 A 4.4391 7.5375 120.8535 50.2345 20.1243 174.9208 *39 E 4.3880 8.6270 123.4869 56.4712 31.5383 175.2556 40 S 5.4320 7.9155 110.5908 56.8892 66.2674 173.1120 41 K 4.5812 8.3287 118.5723 56.2651 35.9549 173.7289 42 E 5.2489 8.6378 120.3245 54.7570 31.2309 175.6705 43 I 4.8586 8.8550 117.0274 59.0804 41.6711 174.1309 44 V 4.8875 8.7995 123.7938 61.3880 33.8944 174.6434 45 R 4.9169 9.1489 126.2373 54.4359 34.2605 174.6224 46 G 4.6709 8.1131 110.5196 45.0241 0.0000 171.3586 47 Y 4.9807 8.0872 121.3546 56.0647 41.8398 176.5665 48 K 3.9960 9.3416 124.1615 59.0025 32.3759 178.6432 49 W 4.2471 7.7651 114.5010 58.3845 28.4673 176.0932 50 A 4.1355 6.7166 123.2185 51.6713 17.7550 176.9076 51 E 3.9093 9.0042 124.8522 58.7165 30.2635 176.4418 52 Y 4.9456 8.0512 114.7658 55.5420 41.8959 175.9709 53 H 4.1450 9.1368 119.2676 59.3717 28.7285 177.8684 54 A 4.6792 8.2997 123.1091 54.8393 18.2544 179.2570 55 D 4.5534 8.3981 117.6332 57.5421 40.8298 179.1001 56 I 3.9358 7.7353 119.9264 64.6420 37.3261 177.5494 57 Y 4.0211 8.2313 120.3908 60.7145 38.5782 177.6669 58 D 4.2627 8.6467 119.2365 57.1344 41.3867 178.1517 59 K 3.8992 8.0914 119.7879 59.5707 32.2099 179.0164 60 V 3.6319 8.2131 119.1559 66.0707 31.5294 178.2045 61 S 4.0525 8.2491 114.4316 60.8273 62.7372 176.7874 62 G 3.4899 7.9089 109.6552 47.8373 0.0000 175.2204 63 D 4.4037 8.0348 122.0505 57.4305 40.8502 179.1332 64 M 4.1438 8.3078 119.2135 58.4581 31.9446 178.6431 65 Q 4.2966 8.1390 121.0298 58.5779 28.9559 178.3485 66 K 4.0217 7.9805 118.8369 58.8977 32.0483 178.1580 67 Q 4.5526 7.3222 114.9413 55.0637 29.1655 176.1691 68 G 3.8858 7.8707 108.1102 46.3478 0.0000 173.2463 69 C 5.0350 8.0123 117.0290 58.0821 30.8303 172.3149 70 D 5.1148 8.6689 120.3263 52.8681 43.9407 174.6355 71 C 5.5908 8.6319 119.2003 58.0845 32.4009 173.2062 72 E 4.7725 9.2225 120.0942 54.7534 33.1960 174.4337 73 C 4.4705 8.1827 124.5047 58.7323 31.7611 173.0770 74 L 4.2784 10.0612 126.2834 54.8734 42.2722 176.8614 75 G 4.2849 6.8467 106.4592 43.8256 0.0000 171.1066 76 G 3.7209 7.9386 107.9471 45.6102 0.0000 172.1624 77 G 4.0744 7.0068 107.6134 46.3959 0.0000 172.4043 78 R 4.9826 8.1128 121.6655 54.2288 34.6332 174.6996 79 I 4.5888 8.1014 121.5869 59.4178 40.8181 174.4951 80 S 4.9234 9.3207 122.0575 56.9959 64.3423 172.1997 81 H 5.0822 9.4000 129.0884 54.8757 31.8061 173.3142 82 Q 4.9643 9.2538 127.5417 54.1686 29.5159 176.9114 83 S 4.3881 9.6127 120.7350 60.7307 63.6733 176.9086 84 Q 3.9561 8.3581 119.0884 58.9113 28.3322 177.6288 85 D 4.4474 8.0363 113.1364 53.7026 42.1586 176.2550 86 K 2.5249 7.4296 119.1468 57.0813 30.1011 174.1833 87 K 5.2209 8.0271 117.2472 54.6785 36.6629 177.3916 88 I 5.0290 9.0344 124.4264 59.7856 41.0900 173.7079 89 H 5.3926 9.2602 126.8763 54.2614 33.0114 172.4574 90 V 4.8132 8.0565 125.1478 61.3975 34.5016 173.9266 91 Y 4.6512 8.6698 124.6672 57.6289 41.6997 173.9447 92 G 3.6030 10.3214 106.3861 45.2819 0.0000 171.1760 93 Y 4.9125 7.0328 115.8870 56.1293 41.1718 172.9640 94 S 4.7024 8.2210 113.3483 56.3620 64.9116 174.3770 95 M 4.0565 8.9471 127.1380 58.5009 32.0750 177.7061 96 A 3.8110 7.8402 120.2017 54.4480 18.5815 177.4576 97 Y 4.5399 7.6998 110.6271 56.8345 39.4418 176.7697 98 G 3.9654 8.0939 109.4819 43.6167 0.0000 171.1416 99 P 4.6990 0.0000 0.0000 62.2403 31.7831 176.4847 100 A 4.0141 8.1970 125.1875 51.7930 19.0497 178.3835 101 Q 4.0997 8.2625 119.0375 55.8892 28.6622 177.0451 102 H 4.3175 8.4268 123.3734 58.0241 29.0542 177.3057 103 A 2.5800 7.2672 122.6013 54.4304 18.0726 179.6140 104 I 3.5148 7.5779 118.2175 64.4826 37.2428 178.5932 105 S 4.0904 7.9486 115.7537 62.0198 62.7061 176.9180 106 T 3.8372 8.0890 112.5187 64.5717 68.3585 176.2729 107 E 3.8939 7.7526 121.0790 59.2417 29.3633 179.4370 108 K 3.9487 7.8482 118.0831 59.5158 32.0986 179.4896 109 I 3.7709 7.7302 119.9640 64.3491 36.9023 178.4303 110 K 4.0163 8.5534 120.6483 59.4386 31.7579 178.5442 111 A 3.9947 7.6933 119.8888 54.8933 18.3393 178.9215 112 K 4.0532 7.6355 116.7485 57.4428 34.0157 176.5560 113 Y 4.7051 8.2228 116.5685 55.9341 37.8564 174.8707 114 P 4.6636 0.0000 0.0000 64.9091 32.0971 177.6087 115 D 4.7208 8.2169 116.1364 53.7977 39.6072 175.5559 116 Y 4.6802 8.2346 118.6260 57.2701 40.3120 174.4733 117 E 4.6212 8.9390 121.9946 56.0110 30.8212 175.8775 118 V 4.9437 8.6038 125.1930 61.3558 33.6205 174.5650 119 T 5.0902 9.0673 118.1585 59.6736 72.2424 172.7586 120 W 6.1257 8.8069 118.0134 53.7890 31.8169 173.7986 121 A 4.6522 8.8937 121.1587 51.3624 21.4316 176.1189 122 N 4.7333 8.9395 117.0641 53.6055 38.0889 174.5489 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 -1 L 8.18 4.04 0.00 1.52 1.62 0.36 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0 Y 8.03 4.66 0.00 3.04 2.86 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 0.00 0.00 0.00 1 F 9.04 4.68 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.69 4.32 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 3 S 8.45 4.57 0.00 3.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.49 3.94 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 5 D 8.63 4.53 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.65 4.01 0.00 1.75 1.71 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.99 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.72 4.35 0.00 1.77 1.72 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.74 4.22 2.01 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 1.31 0.52 0.93 0.00 0.00 10 P 0.00 4.33 0.00 2.07 2.02 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 11 D 8.85 4.58 0.00 2.60 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 12 V 7.65 4.82 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.99 0.00 0.00 13 D 9.34 4.78 0.00 2.86 2.58 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 14 I 8.07 5.44 2.06 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 1.43 1.05 0.89 0.00 0.00 15 D 7.57 4.81 0.00 1.58 2.32 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 16 S 8.11 4.53 0.00 3.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.65 4.49 0.00 2.80 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 18 G 7.26 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 0.00 0.00 0.00 0.00 19 V 7.94 4.88 2.12 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 0.89 0.00 0.00 0.97 0.00 0.00 20 F 7.99 4.94 0.00 3.24 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 21 K 8.68 4.69 0.00 1.59 1.46 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.32 7.81 22 Y 9.02 5.31 0.00 3.10 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 23 V 8.86 4.43 1.90 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 0.68 0.00 0.00 0.98 0.00 0.00 24 L 8.50 5.16 0.00 1.78 1.44 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.73 4.90 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 1.06 0.00 0.00 26 R 9.10 4.73 0.00 1.82 1.79 0.00 3.34 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.46 0.00 27 V 8.72 4.72 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 1.03 0.00 0.00 0.94 0.00 0.00 28 H 9.07 5.31 0.00 3.19 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.84 4.17 0.00 3.74 3.94 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 0.00 0.00 0.00 30 A 7.54 4.44 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 *39 E 8.63 4.39 0.00 2.05 2.02 0.00 0.00 0.00 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 2.33 0.00 40 S 7.92 5.43 0.00 3.74 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 41 K 8.33 4.58 0.00 1.79 1.89 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.46 7.81 42 E 8.64 5.25 0.00 1.84 1.88 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 2.20 2.25 0.00 43 I 8.85 4.86 1.97 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 1.32 0.91 0.92 0.00 0.00 44 V 8.80 4.89 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 0.97 0.00 0.00 0.99 0.00 0.00 45 R 9.15 4.92 0.00 1.76 1.77 0.00 3.54 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 46 G 8.11 4.67 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 47 Y 8.09 4.98 0.00 1.60 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 0.00 0.00 0.00 48 K 9.34 4.00 0.00 1.77 1.90 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.57 1.20 7.81 49 W 7.77 4.25 0.00 3.44 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 50 A 6.72 4.14 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 51 E 9.00 3.91 0.00 1.82 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 1.47 1.82 0.00 52 Y 8.05 4.95 0.00 3.19 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 53 H 9.14 4.14 0.00 3.41 3.64 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.30 4.68 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.40 4.55 0.00 3.11 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 3.94 2.08 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 1.13 0.00 0.00 57 Y 8.23 4.02 0.00 2.97 3.11 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 0.00 0.00 0.00 0.00 58 D 8.65 4.26 0.00 3.01 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 59 K 8.09 3.90 0.00 2.08 2.32 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.60 7.81 60 V 8.21 3.63 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 1.10 0.00 0.00 1.16 0.00 0.00 61 S 8.25 4.05 0.00 3.76 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.91 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 0.00 0.00 0.00 63 D 8.03 4.40 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.31 4.14 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.84 0.00 65 Q 8.14 4.30 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 66 K 7.98 4.02 0.00 1.96 1.86 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.69 7.81 67 Q 7.32 4.55 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.33 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 68 G 7.87 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 69 C 8.01 5.03 0.00 3.02 2.93 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 70 D 8.67 5.11 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.63 5.59 0.00 2.90 2.95 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 72 E 9.22 4.77 0.00 1.87 1.78 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 2.27 2.36 0.00 73 C 8.18 4.47 0.00 1.23 1.58 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 74 L 10.06 4.28 0.00 1.45 1.63 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 75 G 6.85 4.28 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 0.00 76 G 7.94 3.72 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 0.00 0.00 0.00 77 G 7.01 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.11 4.98 0.00 0.67 1.21 0.00 2.96 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 0.00 79 I 8.10 4.59 0.93 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.45 0.56 0.00 0.00 80 S 9.32 4.92 0.00 3.94 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 81 H 9.40 5.08 0.00 3.25 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.25 4.96 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 83 S 9.61 4.39 0.00 4.09 4.27 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 0.00 0.00 0.00 0.00 84 Q 8.36 3.96 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 85 D 8.04 4.45 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 86 K 7.43 2.52 0.00 1.53 0.93 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.41 1.05 7.81 87 K 8.03 5.22 0.00 1.70 1.66 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.52 7.81 88 I 9.03 5.03 1.71 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.59 0.67 0.00 0.00 89 H 9.26 5.39 0.00 3.18 3.11 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.06 4.81 2.05 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 0.55 0.00 0.00 0.69 0.00 0.00 91 Y 8.67 4.65 0.00 3.02 2.86 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 0.00 0.00 0.00 92 G 10.32 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.03 4.91 0.00 3.16 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 94 S 8.22 4.70 0.00 3.43 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 95 M 8.95 4.06 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 96 A 7.84 3.81 0.43 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 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.70 4.54 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.09 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 0.00 0.00 0.00 99 P 0.00 4.70 0.00 2.22 2.20 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 100 A 8.20 4.01 1.18 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 0.00 0.00 101 Q 8.26 4.10 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 102 H 8.43 4.32 0.00 3.24 3.37 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.27 2.58 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.58 3.51 1.90 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 1.44 0.92 0.85 0.00 0.00 105 S 7.95 4.09 0.00 3.89 3.78 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 0.00 106 T 8.09 3.84 4.28 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 1.38 0.00 0.00 107 E 7.75 3.89 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 108 K 7.85 3.95 0.00 1.88 1.84 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.61 7.81 109 I 7.73 3.77 1.78 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.66 0.67 0.00 0.00 110 K 8.55 4.02 0.00 1.92 1.86 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.55 7.81 111 A 7.69 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.64 4.05 0.00 1.68 1.96 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.83 1.26 7.81 113 Y 8.22 4.71 0.00 2.76 2.32 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 0.00 114 P 0.00 4.66 0.00 2.22 2.22 0.00 3.42 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 115 D 8.22 4.72 0.00 2.87 2.89 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 0.00 116 Y 8.23 4.68 0.00 3.16 2.93 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 0.00 117 E 8.94 4.62 0.00 1.94 1.91 0.00 0.00 0.00 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 2.27 0.00 118 V 8.60 4.94 2.17 0.00 0.00 0.00 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 1.04 0.00 0.00 119 T 9.07 5.09 4.28 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 1.22 0.00 0.00 120 W 8.81 6.13 0.00 3.38 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 0.00 121 A 8.89 4.65 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.94 4.73 0.00 3.09 3.23 0.00 0.00 6.83 7.56 0.00 0.00 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.