NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 M 4.4501 8.1627 120.3236 55.2604 33.2273 177.6948 11 L 3.9697 8.5651 126.5810 57.0041 42.5782 177.1451 12 K 3.8458 8.9898 118.8779 59.9861 33.2898 178.1878 13 E 3.9764 7.4657 115.9514 58.7363 29.4173 178.0914 14 T 4.0461 7.7479 108.0402 63.0985 69.3969 174.8885 15 I 3.8866 7.4774 124.3409 61.3805 37.6668 176.1154 16 R 4.1677 7.7718 126.2272 54.9091 32.9672 176.0388 17 S 4.7017 8.0268 115.0200 56.6591 63.5423 175.4198 18 G 4.6686 8.8140 120.6754 45.9239 0.0000 172.9955 19 D 4.4438 8.7196 125.8779 51.9778 41.3739 172.6965 20 W 4.2492 8.2949 125.6925 59.1257 32.4816 176.1698 *23 E 3.9476 7.9546 119.1779 55.3274 28.9898 175.0108 24 K 3.9922 8.4581 126.4750 56.8792 32.5174 176.8477 25 H 4.1949 8.0183 119.4155 55.6893 31.0459 174.4632 26 V 3.6960 7.5250 119.0080 62.5060 31.4419 173.2714 27 P 4.7078 0.0000 0.0000 62.7306 32.1422 175.9726 28 V 4.1044 9.2089 125.7193 62.2013 33.0219 174.4749 29 I 5.1270 8.4568 127.9908 59.6962 38.7891 174.8040 30 E 4.9536 9.5229 126.4571 54.7457 33.4357 174.3467 31 Y 4.9550 8.2659 120.5282 55.6009 41.7799 174.1057 32 E 4.6893 9.6040 119.4311 54.5407 33.8677 174.6815 33 R 4.9234 8.6499 122.6594 54.6687 32.6813 175.2879 34 E 4.5701 8.8632 127.0451 53.9167 31.0693 176.8925 35 G 3.9273 8.4970 117.5396 46.0916 0.0000 173.2189 36 D 4.7193 8.9214 127.6045 54.1350 42.1143 175.3722 37 L 4.4727 7.7663 122.4596 54.6027 43.4942 175.4434 38 V 4.5240 8.1696 127.0587 60.8689 33.8935 173.9751 39 K 4.4629 9.0711 129.9430 54.6799 34.0259 174.8148 40 V 4.8991 8.6213 128.0237 61.0146 34.5724 173.5125 41 E 5.1252 10.3095 129.1167 54.6166 31.7636 174.7792 42 V 5.2494 8.9218 120.8409 60.0322 35.0336 174.9096 43 S 5.0935 8.7104 116.9535 57.6835 66.7749 173.3922 44 V 4.3648 7.9902 120.3902 61.3843 34.1227 175.7281 45 G 4.0077 8.3055 115.1211 45.4151 0.0000 174.3585 46 K 3.9534 7.7778 117.6521 58.1780 32.8201 176.4524 47 E 4.1628 7.7289 118.3604 57.2731 30.3045 176.4549 48 I 4.1253 7.1458 127.5679 58.6546 36.4030 172.8993 49 P 4.9370 0.0000 0.0000 62.3292 31.7591 176.2316 50 H 4.2789 8.4343 121.8288 54.6535 30.8957 173.0376 51 P 4.0693 0.0000 0.0000 63.3272 31.4524 175.1246 52 N 4.7180 8.4582 121.1544 51.4624 38.9624 172.8006 53 T 5.0609 9.0239 112.3733 57.5038 72.5028 173.0804 54 P 4.4767 0.0000 0.0000 65.8569 31.4447 178.1284 55 E 4.1542 8.1410 116.3351 58.7670 29.9163 176.7009 56 H 4.8872 8.1001 118.8304 54.9036 32.9829 171.5109 57 H 5.1327 9.3206 120.9713 55.9740 32.2956 172.6074 58 I 4.4921 8.3995 119.5818 60.4318 37.5176 175.9420 59 A 4.8029 9.1743 129.7901 54.0325 20.6012 176.5619 60 W 5.1572 7.5421 110.0820 56.2275 31.6898 173.5830 61 I 5.5437 8.9246 119.9043 60.0614 41.4310 174.2709 62 E 5.0604 10.0121 125.8550 54.4406 32.9110 174.6061 63 L 5.1729 8.5050 126.1879 53.6847 44.3259 174.6710 64 Y 5.2011 9.5610 124.2670 56.1955 41.6210 174.6243 65 F 5.2092 9.1916 124.1385 56.9652 42.5866 173.3384 66 H 4.7714 8.8523 128.0721 53.4539 30.0898 171.6192 67 P 4.4129 0.0000 0.0000 61.8037 32.5042 175.7791 68 E 3.8127 8.9377 121.4044 56.8419 30.4175 176.5883 69 G 3.9292 8.8227 108.7267 46.4181 0.0000 173.7038 70 G 4.1339 7.5874 106.7850 43.4563 0.0000 173.9691 71 Q 3.8542 8.6209 122.7510 57.5110 29.0756 176.4344 72 F 4.9760 7.4221 114.2613 54.4945 42.2504 172.8271 73 P 4.6241 0.0000 0.0000 62.8150 32.4347 175.3471 74 I 4.5667 8.5560 123.4055 59.2063 39.9427 174.6074 75 L 3.6556 8.5484 129.4578 55.3079 41.8202 176.4497 76 V 3.6747 8.5179 127.8446 65.1425 32.1472 176.0856 77 G 3.8873 6.8564 104.1793 45.3068 0.0000 172.0406 78 R 5.3328 8.6499 120.5753 54.2103 33.4842 174.6527 79 V 4.5664 9.0882 124.6011 59.8990 34.7204 174.0143 80 E 4.7564 8.6184 122.6151 54.6432 31.9775 175.9085 81 F 4.9441 8.5443 124.3901 56.4991 38.6115 175.8601 82 T 4.2823 8.5433 112.9589 61.6994 69.9122 174.7161 83 N 4.9835 7.8868 121.5684 52.2850 41.1303 173.7782 84 H 5.3218 8.5177 121.2396 55.8301 30.2159 174.8251 85 S 4.6155 7.8908 111.7441 58.3691 65.3189 174.2628 86 D 4.3896 8.1015 128.6892 52.8672 43.3431 173.3033 87 P 4.3676 0.0000 0.0000 62.5742 32.0992 175.5884 88 L 4.4990 8.0665 121.3789 53.6109 42.9306 175.9897 89 T 4.1632 8.4925 124.8629 63.1209 68.7223 174.5323 90 E 4.0101 8.6738 128.8606 54.6421 30.5956 176.1232 91 P 2.9700 0.0000 0.0000 60.9471 29.4987 174.7067 92 R 5.1009 6.6128 119.8673 55.8013 33.6886 174.0061 93 A 4.8053 9.3453 126.6339 50.7272 23.4908 174.7449 94 V 4.8277 8.1236 118.3191 61.1817 34.1189 174.8230 95 F 5.1192 9.4772 125.8715 55.8292 42.7046 174.3680 96 F 5.4621 9.0078 118.2703 55.9843 42.4858 174.3122 97 F 5.1142 8.6417 116.9465 55.6327 41.4964 173.1599 98 K 4.9333 8.6084 120.5045 55.6058 33.6324 175.8672 99 T 4.4583 8.6663 115.9122 61.7581 70.9607 173.9521 100 S 4.9166 8.9656 121.6900 58.5703 63.9736 174.4360 101 K 4.4330 7.5148 120.4960 55.9691 32.8405 175.8407 102 K 4.9241 8.6409 118.2604 54.5229 36.5323 176.8662 103 G 4.5608 7.1787 109.4799 46.6238 0.0000 172.8540 104 K 4.9576 8.3133 123.0557 54.3410 35.8738 174.8674 105 L 5.1016 9.0092 124.5056 53.3131 43.9921 175.0506 106 Y 5.6395 9.0114 121.5918 56.2424 41.3038 174.5946 107 A 5.3498 9.2531 124.0670 50.1420 22.5377 174.6094 108 L 5.2403 9.6112 125.4489 53.4422 44.6671 175.4594 109 S 5.2538 9.3428 121.3675 56.6967 66.6490 172.3687 110 Y 4.7935 7.7446 121.2996 55.9023 41.4304 173.3444 111 C 4.7372 8.2012 127.5509 57.3480 32.9075 174.3023 112 N 4.1919 8.4100 124.1671 54.9468 36.8336 175.4928 113 I 4.2881 7.2361 108.6974 60.5925 38.7242 175.2164 114 H 4.6107 7.3783 116.9590 54.8913 30.1279 175.7329 115 G 3.8738 7.6095 109.0033 45.7940 0.0000 172.5712 116 L 4.9508 8.1460 119.2077 54.0919 43.5235 176.2126 117 W 5.4430 9.2634 122.1408 54.8952 33.4490 174.0488 118 E 5.8172 8.5951 120.0346 54.0429 32.7491 173.7705 119 N 4.9252 8.5495 116.3350 53.3790 42.3376 172.3906 120 E 5.6148 8.7951 119.2591 55.4359 33.0311 174.5210 121 V 4.6712 8.6189 119.0686 60.4783 35.3027 173.5394 122 Q 4.4802 8.7591 122.0516 55.8918 29.6672 175.8793 123 L 3.8911 8.9093 127.3128 53.4045 42.3455 176.4290 124 E 4.2141 8.7091 124.1471 56.3982 29.4328 177.1314 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 10 M 8.16 4.45 0.00 2.08 1.63 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 11 L 8.57 3.97 0.00 1.80 1.64 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.99 3.85 0.00 1.92 2.02 0.00 1.52 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 13 E 7.47 3.98 0.00 1.92 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 0.00 2.37 2.37 0.00 14 T 7.75 4.05 4.20 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 1.29 0.00 0.00 15 I 7.48 3.89 1.89 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 1.18 0.76 0.83 0.00 0.00 16 R 7.77 4.17 0.00 0.67 0.66 0.00 2.53 0.00 0.00 2.64 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.07 0.00 17 S 8.03 4.70 0.00 3.86 3.80 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 18 G 8.81 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 19 D 8.72 4.44 0.00 2.85 2.66 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 20 W 8.29 4.25 0.00 3.17 3.33 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 *23 E 7.95 3.95 0.00 2.05 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 2.01 2.22 0.00 24 K 8.46 3.99 0.00 1.69 1.63 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 25 H 8.02 4.19 0.00 1.40 1.31 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.53 3.70 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 0.92 0.00 0.00 1.17 0.00 0.00 27 P 0.00 4.71 0.00 2.25 2.17 0.00 4.00 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 28 V 9.21 4.10 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 0.97 0.00 0.00 1.00 0.00 0.00 29 I 8.46 5.13 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 1.07 0.00 0.00 30 E 9.52 4.95 0.00 1.86 1.75 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 2.22 2.26 0.00 31 Y 8.27 4.96 0.00 2.95 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 32 E 9.60 4.69 0.00 1.80 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 2.09 2.14 0.00 33 R 8.65 4.92 0.00 1.93 1.84 0.00 3.20 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 34 E 8.86 4.57 0.00 1.92 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 2.21 2.22 0.00 35 G 8.50 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 36 D 8.92 4.72 0.00 2.79 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 37 L 7.77 4.47 0.00 1.77 1.70 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.17 4.52 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 0.00 0.00 0.58 0.00 0.00 0.52 0.00 0.00 39 K 9.07 4.46 0.00 1.72 1.54 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.94 0.49 7.81 40 V 8.62 4.90 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 1.10 0.00 0.00 1.02 0.00 0.00 41 E 10.31 5.13 0.00 2.05 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 2.23 2.34 0.00 42 V 8.92 5.25 2.28 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 0.92 0.00 0.00 1.27 0.00 0.00 43 S 8.71 5.09 0.00 3.83 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 44 V 7.99 4.36 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 0.62 0.00 0.00 0.96 0.00 0.00 45 G 8.31 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 46 K 7.78 3.95 0.00 1.70 1.82 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.39 7.81 47 E 7.73 4.16 0.00 1.94 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 2.21 2.30 0.00 48 I 7.15 4.13 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.00 0.87 0.00 0.00 49 P 0.00 4.94 0.00 1.98 1.97 0.00 3.68 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 50 H 8.43 4.28 0.00 2.93 3.03 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.07 0.00 1.73 1.81 0.00 2.45 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 52 N 8.46 4.72 0.00 2.60 2.68 0.00 0.00 6.89 7.70 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 53 T 9.02 5.06 4.33 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 1.20 0.00 0.00 54 P 0.00 4.48 0.00 2.10 2.22 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 55 E 8.14 4.15 0.00 1.95 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 2.32 2.37 0.00 56 H 8.10 4.89 0.00 3.03 3.00 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 9.32 5.13 0.00 3.00 3.32 0.00 5.58 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.40 4.49 1.83 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.63 0.95 0.00 0.00 59 A 9.17 4.80 1.65 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 0.00 0.00 60 W 7.54 5.16 0.00 3.45 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 61 I 8.92 5.54 2.26 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.12 1.19 0.00 0.00 62 E 10.01 5.06 0.00 2.23 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.51 0.00 63 L 8.51 5.17 0.00 1.55 0.98 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 9.56 5.20 0.00 3.15 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 65 F 9.19 5.21 0.00 2.73 2.67 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 66 H 8.85 4.77 0.00 3.19 2.89 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.41 0.00 2.04 1.74 0.00 3.44 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 68 E 8.94 3.81 0.00 1.94 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 2.40 2.27 0.00 69 G 8.82 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 70 G 7.59 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.62 3.85 0.00 1.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 72 F 7.42 4.98 0.00 2.98 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 P 0.00 4.62 0.00 2.23 2.18 0.00 3.86 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 74 I 8.56 4.57 1.89 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 1.15 0.94 0.90 0.00 0.00 75 L 8.55 3.66 0.00 1.34 1.40 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.52 3.67 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 0.49 0.00 0.00 0.51 0.00 0.00 77 G 6.86 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 0.00 0.00 0.00 78 R 8.65 5.33 0.00 1.62 1.67 0.00 2.94 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 79 V 9.09 4.57 2.20 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 0.82 0.00 0.00 0.82 0.00 0.00 80 E 8.62 4.76 0.00 1.78 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 2.19 2.21 0.00 81 F 8.54 4.94 0.00 3.08 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 82 T 8.54 4.28 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 1.24 0.00 0.00 83 N 7.89 4.98 0.00 2.69 2.75 0.00 0.00 6.83 8.35 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 84 H 8.52 5.32 0.00 3.18 3.34 0.00 5.61 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.89 4.62 0.00 3.81 3.64 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 86 D 8.10 4.39 0.00 2.58 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 P 0.00 4.37 0.00 2.22 2.04 0.00 3.79 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 1.95 0.00 88 L 8.07 4.50 0.00 1.64 1.62 1.09 0.94 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 89 T 8.49 4.16 4.37 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 0.00 0.00 0.00 1.43 0.00 0.00 90 E 8.67 4.01 0.00 1.91 1.75 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 2.14 2.21 0.00 91 P 0.00 2.97 0.00 1.90 1.82 0.00 3.55 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.76 0.00 92 R 6.61 5.10 0.00 1.66 1.68 0.00 3.19 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 93 A 9.35 4.81 1.25 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 0.00 0.00 0.00 94 V 8.12 4.83 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 0.45 0.00 0.00 0.90 0.00 0.00 95 F 9.48 5.12 0.00 3.00 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 96 F 9.01 5.46 0.00 2.84 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 97 F 8.64 5.11 0.00 3.09 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 98 K 8.61 4.93 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.47 7.81 99 T 8.67 4.46 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 100 S 8.97 4.92 0.00 4.04 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 0.00 101 K 7.51 4.43 0.00 2.10 2.00 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.52 7.81 102 K 8.64 4.92 0.00 2.14 1.71 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.43 7.81 103 G 7.18 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.31 4.96 0.00 1.48 1.07 0.00 1.72 0.00 0.00 2.00 0.00 0.00 3.35 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.28 1.34 7.81 105 L 9.01 5.10 0.00 1.54 1.62 0.82 0.85 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 0.00 106 Y 9.01 5.64 0.00 2.98 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 0.00 107 A 9.25 5.35 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 0.00 108 L 9.61 5.24 0.00 1.99 1.99 1.10 0.96 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 0.00 109 S 9.34 5.25 0.00 3.90 4.03 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 0.00 110 Y 7.74 4.79 0.00 1.79 1.43 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 0.00 111 C 8.20 4.74 0.00 2.89 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 0.00 112 N 8.41 4.19 0.00 2.86 2.85 0.00 0.00 6.79 7.85 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 0.00 113 I 7.24 4.29 1.55 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.27 0.74 0.00 0.00 114 H 7.38 4.61 0.00 2.89 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.61 3.87 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 0.00 0.00 0.00 116 L 8.15 4.95 0.00 1.57 1.60 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 117 W 9.26 5.44 0.00 3.27 3.17 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 0.00 0.00 0.00 0.00 118 E 8.60 5.82 0.00 2.00 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 2.38 2.10 0.00 119 N 8.55 4.93 0.00 2.95 2.84 0.00 0.00 6.38 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 0.00 120 E 8.80 5.61 0.00 2.33 2.20 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 2.31 2.44 0.00 121 V 8.62 4.67 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.10 0.00 0.00 122 Q 8.76 4.48 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.14 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 123 L 8.91 3.89 0.00 1.47 1.68 0.11 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.71 4.21 0.00 2.19 1.92 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 2.40 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.