NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 S 4.3720 8.3344 115.2907 58.1484 62.8471 172.1637 43 L 3.9514 7.6583 124.3994 54.1005 43.0932 174.6020 44 T 4.3923 9.1768 124.0615 63.4640 70.0401 173.4332 45 E 4.5357 9.0507 126.5353 55.3272 31.9060 175.2573 46 T 4.8863 7.9948 118.8961 62.0552 71.6361 173.4844 47 Y 4.4967 9.1529 124.1841 56.5466 40.8494 177.8550 48 G 3.9886 8.6265 118.3410 46.9227 0.0000 173.5816 49 L 4.4610 8.0448 124.9522 54.3527 42.5699 175.9853 50 W 4.8706 8.4317 119.8659 55.3009 31.4290 175.4845 51 S 5.3348 8.9738 118.7113 56.8762 66.2084 173.1387 52 I 5.0135 8.7641 122.6292 59.7204 40.5478 174.3520 53 N 5.1479 8.2171 122.9475 51.4288 42.4132 172.6957 54 C 5.2259 8.7291 118.7981 55.3765 42.5511 174.7124 55 G 4.1094 8.9832 113.8967 44.8405 0.0000 172.2270 56 I 4.7176 8.0735 120.0669 59.7253 41.4224 174.6935 57 Q 4.1864 8.6608 123.1953 57.0464 30.9658 176.0685 *61 K 4.1592 8.1250 116.4528 56.4946 33.1465 175.2584 62 V 4.1581 8.2474 124.6673 60.8647 32.8322 175.4553 63 C 5.5720 8.9096 123.3663 54.8757 36.6392 173.3020 64 F 5.4197 8.7998 117.8247 55.2256 41.5397 173.3061 65 M 5.3841 9.5404 120.4662 54.2257 34.4201 174.2598 66 H 5.7420 9.6562 120.8310 54.7130 33.0166 172.3038 67 R 4.3500 8.5583 118.7551 55.2565 33.4980 173.5310 68 Q 5.0098 8.5300 124.7352 54.1544 31.6275 174.5503 69 E 4.6907 9.2385 122.1119 54.6631 32.3042 175.6198 70 V 4.9284 8.2716 116.2709 59.6362 35.5088 175.4504 71 N 4.7780 8.1529 119.7828 51.6289 39.5000 175.3487 72 D 4.4156 8.5503 116.4024 56.3562 39.5644 176.7875 73 Q 4.2292 8.1470 116.9848 55.3090 28.8612 174.9770 74 N 4.2264 7.9233 115.4172 54.2662 38.1325 173.4969 75 R 4.4910 7.8917 112.7048 53.5342 31.1484 175.7575 76 V 4.0035 8.2704 121.3087 63.2828 32.0523 175.0794 77 V 4.2638 8.5204 127.4916 63.8748 33.1673 176.3818 78 V 4.8060 7.4541 118.2029 59.8805 34.8863 174.3370 79 A 5.1399 8.8012 124.0752 50.4941 23.2418 174.4618 80 M 5.2462 9.0732 119.0740 53.9847 36.0062 173.9661 81 S 5.5339 9.3983 120.3144 56.6810 66.2485 172.7216 82 V 5.0678 9.5011 125.9182 61.5217 35.2826 174.2176 83 V 4.8390 9.1998 120.0703 59.4901 35.6204 174.0101 84 L 4.8534 8.4240 124.5449 53.8789 43.4000 175.8539 85 N 4.9049 8.8155 123.5064 51.7634 40.4152 176.2765 86 A 4.0362 8.6886 122.9888 54.8898 18.6063 178.0839 87 D 4.6773 8.1225 113.9868 53.2396 39.5991 177.1623 88 G 3.9026 8.1023 106.3521 46.3293 0.0000 173.8768 89 V 4.3173 7.4480 119.3657 59.9740 33.9993 174.8691 90 V 4.8921 8.1316 124.1994 61.7196 32.9219 174.7483 91 S 4.9038 9.2429 121.8978 56.0451 66.9985 174.0094 92 G 4.2642 7.6429 107.3642 46.4512 0.0000 171.5204 93 N 5.5087 8.6037 119.4755 51.3780 43.3047 173.2450 94 L 5.0431 9.0648 124.9400 53.7212 44.8158 174.9680 95 T 4.8369 9.0635 123.5467 62.3631 70.2118 174.5165 96 V 4.5789 8.5980 120.0037 58.5293 35.1822 173.6158 97 P 4.6083 0.0000 0.0000 62.2418 32.0525 176.5625 98 F 4.4839 8.2286 119.8063 58.7220 39.5706 176.1195 99 G 3.9803 9.1193 109.4855 45.7212 0.0000 172.9301 100 I 4.3972 7.3700 119.7766 59.5164 37.9658 175.3240 101 L 4.0366 8.9667 127.3503 55.0855 41.7282 177.8908 102 V 3.7775 8.3630 127.3218 65.4133 31.7953 177.1279 103 S 4.3391 8.0123 112.9491 59.5345 63.5466 174.0981 104 K 4.5207 7.2429 119.2536 54.1857 33.4079 174.5018 105 P 4.6606 0.0000 0.0000 62.4968 32.7805 175.6194 106 V 4.4198 9.0937 122.4335 61.5102 33.3477 174.3148 107 R 4.9445 9.1999 129.3296 54.9018 32.0277 174.6129 108 L 5.3146 9.3470 126.5777 53.0792 44.7164 175.2965 109 Q 5.2758 9.0626 124.3544 53.3154 33.1119 173.9346 110 V 4.1950 8.4439 126.4487 62.3587 32.4955 177.0200 111 D 4.2694 8.7611 130.8862 55.8398 40.6115 174.6881 112 E 4.6301 9.1058 123.6407 56.8080 30.5484 176.2670 113 G 3.9209 7.6385 109.3073 44.9491 0.0000 173.9278 114 K 4.1278 8.3920 117.0134 57.1254 32.7137 177.5299 115 A 4.2833 7.5534 121.7068 51.2170 17.7220 174.9783 116 V 4.9559 8.2705 119.2673 61.5788 34.1493 174.3467 117 I 4.5900 9.1602 129.0153 59.4068 40.0262 174.0850 118 E 4.9798 8.7947 127.0558 54.8984 31.6750 174.4802 119 T 4.6822 8.9284 121.2163 60.8449 71.7373 171.7651 120 G 4.5115 8.3345 107.9725 44.1541 0.0000 172.5522 121 I 4.1317 8.2577 121.0076 61.2960 37.6883 176.5499 122 R 4.0942 8.8259 126.3684 58.7823 30.4853 175.8003 123 T 4.4135 7.1338 109.2264 61.7017 70.0949 171.9280 124 C 5.4693 8.6147 120.8644 55.1520 44.7402 173.7858 125 V 4.6278 8.6047 115.4769 58.4977 34.9393 174.8587 126 P 4.4266 0.0000 0.0000 66.0293 31.0572 178.0639 127 A 4.0209 7.8376 119.2344 53.3779 19.0397 176.9885 128 G 2.8752 6.7599 102.1265 44.1330 0.0000 170.9248 129 C 5.1094 8.2455 118.1208 55.7880 41.7626 173.1381 130 I 4.7243 9.0742 125.2055 59.9850 38.8686 174.8192 131 V 4.6275 8.9859 128.0307 60.3813 33.2789 172.9844 132 P 5.0882 0.0000 0.0000 62.4486 32.2343 176.1603 133 I 4.4138 8.5187 116.5785 58.9581 40.9692 174.2701 134 V 4.3296 7.8559 124.2363 60.9931 34.3021 174.1550 135 F 5.0885 8.9764 127.3107 55.6683 41.2595 175.8959 136 D 4.8640 8.7774 123.3585 52.1679 41.0389 177.1440 137 K 3.9168 8.7562 118.1399 60.0181 31.7579 179.2363 138 N 4.4245 8.2321 116.0720 56.2360 38.5226 176.8025 139 Y 3.7928 8.5910 121.2048 60.3526 38.8931 177.6888 140 V 3.5292 8.2875 119.3766 66.1581 31.0921 177.8753 141 A 3.9612 7.9740 119.8973 55.0957 18.2576 179.5131 142 A 3.8134 7.6175 118.9772 55.0980 18.1543 179.8311 143 L 3.4696 7.4814 116.8164 57.8111 41.5710 179.6826 144 R 4.0420 7.6757 116.9516 58.6080 30.0996 178.1024 145 A 4.4641 7.4478 117.4061 51.6353 19.4985 177.4458 146 G 3.8439 7.0595 105.8761 44.7574 0.0000 173.6007 147 K 4.4869 9.0536 117.6713 57.4880 34.5024 176.6780 148 H 5.2770 8.6794 115.8786 53.8077 33.0013 172.9820 149 L 4.6833 9.1759 125.1833 53.5054 43.0022 175.3139 150 K 4.6801 9.3812 127.3512 56.1318 33.6967 176.2402 151 L 5.3615 9.0609 123.9814 52.9740 44.9650 175.3657 152 A 5.0444 9.0184 124.1682 50.5337 22.4544 175.0392 153 M 5.0392 9.0484 118.9567 54.6163 35.9015 173.4603 154 T 5.0102 8.3245 114.4862 61.7845 71.5291 173.9664 155 I 4.3390 8.8114 127.4848 60.9193 38.5803 175.8104 156 A 4.6878 8.7628 129.7361 51.0174 16.5450 176.2783 157 A 4.6007 7.8962 122.6341 49.4215 22.7733 174.3260 158 P 4.3434 0.0000 0.0000 64.5270 31.5739 176.8537 159 G 3.9198 8.8447 111.9083 44.1313 0.0000 172.7948 160 E 4.0977 7.8137 117.1450 55.8495 27.2073 172.6147 161 P 4.6785 0.0000 0.0000 61.5113 33.3636 175.5180 162 P 4.8691 0.0000 0.0000 62.6349 32.9238 175.4601 163 L 4.6761 9.2086 124.0285 53.8768 43.7193 176.1814 164 N 5.2455 9.2162 121.7960 51.9767 40.3167 174.8458 165 D 4.8166 8.1060 116.7900 53.3236 40.2567 176.0493 166 L 4.4695 7.5472 120.7308 54.2717 43.5947 175.3560 167 F 5.4221 7.6224 115.4265 56.1007 41.2799 173.0955 168 V 4.6373 8.8694 119.6461 61.1294 33.8161 174.6213 169 Q 4.6218 9.6775 128.0991 55.8427 29.3636 176.1337 170 L 4.8961 9.0750 122.7906 54.3924 42.4031 175.5377 171 N 4.4875 8.1661 119.2018 56.5591 38.9353 175.2966 172 G 4.1914 9.1798 114.6660 45.2581 0.0000 174.2274 173 F 3.1256 8.4173 122.3163 61.0439 39.2305 176.8521 174 S 4.0751 8.0806 112.0794 61.6503 62.3890 175.7584 175 N 4.1688 8.0637 118.3829 56.1065 38.3070 177.1877 176 A 3.3540 7.8548 122.3123 54.6632 18.4142 179.4741 177 L 3.6163 7.7121 119.2833 58.1044 42.1014 178.8429 178 N 4.2038 8.0655 116.6525 56.3141 38.4064 177.3415 179 R 3.7809 7.4564 119.5336 59.2013 29.9501 178.5614 180 L 3.9353 7.6206 118.9153 57.7165 41.0744 179.5515 181 I 3.6610 7.8506 119.5675 64.3813 36.5974 178.3989 182 A 4.0512 8.0329 121.5302 55.0568 17.9452 179.5570 183 L 4.0705 7.9344 116.5614 57.4632 41.7658 179.2644 184 Q 4.1450 7.6245 117.9747 58.8210 28.7105 178.3841 185 K 4.1491 7.5726 117.5596 59.0423 32.1470 177.5293 186 E 4.2786 7.7409 122.1206 56.5754 29.5772 176.4850 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 42 S 8.33 4.37 0.00 3.86 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 43 L 7.66 3.95 0.00 1.70 1.53 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.18 4.39 4.22 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 1.19 0.00 0.00 45 E 9.05 4.54 0.00 2.01 1.80 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 2.25 2.29 0.00 46 T 7.99 4.89 4.11 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 1.18 0.00 0.00 47 Y 9.15 4.50 0.00 2.98 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 48 G 8.63 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.04 4.46 0.00 1.87 1.67 0.99 0.78 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 50 W 8.43 4.87 0.00 3.50 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.97 5.33 0.00 3.31 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 52 I 8.76 5.01 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.87 0.00 0.00 53 N 8.22 5.15 0.00 1.84 2.38 0.00 0.00 6.40 7.55 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 54 C 8.73 5.23 0.00 2.79 2.96 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 55 G 8.98 4.11 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 0.00 0.00 0.00 56 I 8.07 4.72 1.89 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 1.43 0.93 0.93 0.00 0.00 57 Q 8.66 4.19 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.38 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 *61 K 8.13 4.16 0.00 1.96 1.95 0.00 1.18 0.00 0.00 2.42 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.41 7.81 62 V 8.25 4.16 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 0.99 0.00 0.00 1.01 0.00 0.00 63 C 8.91 5.57 0.00 2.86 2.99 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 0.00 0.00 0.00 64 F 8.80 5.42 0.00 3.27 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 65 M 9.54 5.38 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 66 H 9.66 5.74 0.00 3.42 3.63 0.00 5.53 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.56 4.35 0.00 0.67 0.66 0.00 2.70 0.00 0.00 2.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.23 0.00 68 Q 8.53 5.01 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.47 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 69 E 9.24 4.69 0.00 1.65 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.48 0.00 70 V 8.27 4.93 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 0.71 0.00 0.00 0.95 0.00 0.00 71 N 8.15 4.78 0.00 2.92 2.94 0.00 0.00 7.07 9.01 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 72 D 8.55 4.42 0.00 2.79 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 73 Q 8.15 4.23 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 74 N 7.92 4.23 0.00 2.84 2.88 0.00 0.00 7.03 7.72 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 75 R 7.89 4.49 0.00 2.03 2.01 0.00 2.83 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 76 V 8.27 4.00 2.03 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 0.72 0.00 0.00 0.94 0.00 0.00 77 V 8.52 4.26 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 0.76 0.00 0.00 0.89 0.00 0.00 78 V 7.45 4.81 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 0.64 0.00 0.00 0.93 0.00 0.00 79 A 8.80 5.14 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 80 M 9.07 5.25 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 3.06 0.00 81 S 9.40 5.53 0.00 3.94 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.50 5.07 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 0.81 0.00 0.00 1.27 0.00 0.00 83 V 9.20 4.84 2.14 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 0.92 0.00 0.00 0.99 0.00 0.00 84 L 8.42 4.85 0.00 1.64 1.56 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.82 4.90 0.00 2.80 2.80 0.00 0.00 6.49 7.10 0.00 0.00 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 A 8.69 4.04 1.29 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 0.00 0.00 87 D 8.12 4.68 0.00 2.80 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 88 G 8.10 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 0.00 0.00 0.00 89 V 7.45 4.32 2.10 0.00 0.00 0.00 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 1.01 0.00 0.00 90 V 8.13 4.89 2.35 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 1.18 0.00 0.00 1.01 0.00 0.00 91 S 9.24 4.90 0.00 3.93 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 92 G 7.64 4.26 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 0.00 93 N 8.60 5.51 0.00 2.57 2.64 0.00 0.00 6.90 7.59 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 94 L 9.06 5.04 0.00 1.76 1.69 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 95 T 9.06 4.84 4.18 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 1.12 0.00 0.00 96 V 8.60 4.58 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 0.71 0.00 0.00 0.97 0.00 0.00 97 P 0.00 4.61 0.00 1.91 1.95 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.18 0.00 98 F 8.23 4.48 0.00 3.07 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 99 G 9.12 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.37 4.40 1.89 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 1.51 0.88 1.00 0.00 0.00 101 L 8.97 4.04 0.00 1.77 1.69 0.93 0.94 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 0.00 102 V 8.36 3.78 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 0.00 0.00 103 S 8.01 4.34 0.00 4.02 3.98 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 0.00 0.00 0.00 104 K 7.24 4.52 0.00 1.81 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.40 7.81 105 P 0.00 4.66 0.00 1.95 2.04 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 V 9.09 4.42 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 1.02 0.00 0.00 0.94 0.00 0.00 107 R 9.20 4.94 0.00 1.91 1.81 0.00 3.12 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 108 L 9.35 5.31 0.00 1.72 1.76 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 9.06 5.28 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 110 V 8.44 4.19 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.41 0.00 0.00 111 D 8.76 4.27 0.00 2.78 1.76 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 0.00 112 E 9.11 4.63 0.00 1.87 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 2.17 2.22 0.00 113 G 7.64 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 0.00 0.00 0.00 114 K 8.39 4.13 0.00 1.73 1.86 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.40 7.81 115 A 7.55 4.28 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 0.00 116 V 8.27 4.96 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 0.92 0.00 0.00 0.98 0.00 0.00 117 I 9.16 4.59 1.73 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.53 0.81 0.00 0.00 118 E 8.79 4.98 0.00 1.95 1.82 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 2.18 2.28 0.00 119 T 8.93 4.68 4.18 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 1.22 0.00 0.00 120 G 8.33 4.51 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 0.00 0.00 0.00 121 I 8.26 4.13 1.88 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 1.29 0.58 0.97 0.00 0.00 122 R 8.83 4.09 0.00 1.73 1.92 0.00 3.27 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 123 T 7.13 4.41 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 1.21 0.00 0.00 124 C 8.61 5.47 0.00 3.10 3.15 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 0.00 0.00 0.00 125 V 8.60 4.63 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.99 0.00 0.00 126 P 0.00 4.43 0.00 2.09 2.21 0.00 3.72 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 2.07 2.15 0.00 127 A 7.84 4.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 6.76 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 0.00 0.00 0.00 129 C 8.25 5.11 0.00 2.83 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 0.00 130 I 9.07 4.72 1.85 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 1.09 1.03 0.90 0.00 0.00 131 V 8.99 4.63 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 0.82 0.00 0.00 0.92 0.00 0.00 132 P 0.00 5.09 0.00 1.91 1.91 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 133 I 8.52 4.41 1.06 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 0.82 0.00 0.00 134 V 7.86 4.33 1.93 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 0.77 0.00 0.00 0.82 0.00 0.00 135 F 8.98 5.09 0.00 3.15 2.92 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 0.00 136 D 8.78 4.86 0.00 2.96 2.87 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 0.00 0.00 0.00 137 K 8.76 3.92 0.00 1.82 1.95 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.52 7.81 138 N 8.23 4.42 0.00 2.96 2.87 0.00 0.00 6.78 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.59 3.79 0.00 3.26 3.02 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 0.00 0.00 0.00 140 V 8.29 3.53 2.30 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 1.03 0.00 0.00 1.12 0.00 0.00 141 A 7.97 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.62 3.81 1.03 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 0.00 0.00 143 L 7.48 3.47 0.00 1.38 0.59 0.51 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.68 4.04 0.00 1.91 1.98 0.00 3.16 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 145 A 7.45 4.46 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 0.00 146 G 7.06 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 0.00 0.00 0.00 147 K 9.05 4.49 0.00 1.68 1.83 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.38 7.81 148 H 8.68 5.28 0.00 3.10 3.09 0.00 5.61 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 0.00 149 L 9.18 4.68 0.00 1.75 1.82 1.14 1.03 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 0.00 150 K 9.38 4.68 0.00 1.89 1.79 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.55 1.47 7.81 151 L 9.06 5.36 0.00 1.72 1.58 1.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 152 A 9.02 5.04 1.27 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 0.00 0.00 153 M 9.05 5.04 0.00 2.08 2.16 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 2.49 2.68 0.00 154 T 8.32 5.01 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 155 I 8.81 4.34 1.95 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 1.18 0.77 0.98 0.00 0.00 156 A 8.76 4.69 1.29 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 0.00 0.00 157 A 7.90 4.60 1.22 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 0.00 0.00 158 P 0.00 4.34 0.00 2.05 2.03 0.00 3.65 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 2.03 2.10 0.00 159 G 8.84 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 0.00 0.00 0.00 160 E 7.81 4.10 0.00 2.08 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 2.26 2.22 0.00 161 P 0.00 4.68 0.00 2.08 1.97 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 2.12 2.09 0.00 162 P 0.00 4.87 0.00 2.09 2.06 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 163 L 9.21 4.68 0.00 1.71 1.57 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 164 N 9.22 5.25 0.00 2.74 2.82 0.00 0.00 7.26 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 0.00 165 D 8.11 4.82 0.00 2.86 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 0.00 166 L 7.55 4.47 0.00 1.65 1.55 0.83 0.90 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 0.00 167 F 7.62 5.42 0.00 3.02 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 0.00 168 V 8.87 4.64 2.29 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 1.05 0.00 0.00 1.02 0.00 0.00 169 Q 9.68 4.62 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 170 L 9.08 4.90 0.00 1.93 1.64 0.76 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 171 N 8.17 4.49 0.00 2.82 2.86 0.00 0.00 7.35 7.92 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 0.00 172 G 9.18 4.19 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 0.00 0.00 0.00 173 F 8.42 3.13 0.00 2.85 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 0.00 174 S 8.08 4.08 0.00 3.96 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 0.00 175 N 8.06 4.17 0.00 2.81 2.83 0.00 0.00 6.97 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 0.00 176 A 7.85 3.35 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 7.71 3.62 0.00 1.24 1.56 0.76 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 178 N 8.07 4.20 0.00 2.76 2.74 0.00 0.00 6.64 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 R 7.46 3.78 0.00 1.35 1.64 0.00 3.12 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 180 L 7.62 3.94 0.00 1.91 1.62 0.87 0.78 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 0.00 181 I 7.85 3.66 1.97 0.00 0.00 0.81 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 1.20 0.88 0.00 0.00 182 A 8.03 4.05 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 0.00 183 L 7.93 4.07 0.00 1.76 1.73 0.93 0.80 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 0.00 184 Q 7.62 4.15 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 185 K 7.57 4.15 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.59 7.81 186 E 7.74 4.28 0.00 2.12 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 2.34 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.