NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 H 4.6888 8.4401 117.3733 54.0146 30.2605 173.1453 9 A 4.3976 8.0435 123.1365 53.2282 20.3226 175.8716 10 S 4.4366 8.0481 111.1271 56.1052 63.5560 170.3840 11 A 4.4746 8.0071 126.5839 50.4882 21.0742 173.2856 12 L 3.6826 8.7102 129.1429 55.0798 41.0448 174.5450 13 T 4.5636 7.8368 116.2043 59.5523 72.3709 175.0215 14 R 3.8424 8.3981 120.7576 59.9329 29.9634 178.3468 15 S 4.2469 8.0905 114.0691 61.8010 62.7894 176.3368 16 E 3.9412 7.9731 121.5498 59.2181 29.3066 178.8270 17 R 3.9807 8.4920 119.2452 59.5589 30.0815 178.5212 18 T 3.8554 8.7787 116.7822 66.6668 68.2820 175.9707 19 E 3.9172 7.9809 119.5652 59.5583 29.7364 178.6456 20 L 4.1848 7.9155 117.4871 57.2259 41.8438 178.9017 21 R 4.1284 8.6975 116.9352 55.5795 31.5509 175.6148 22 N 4.1375 8.0864 116.8547 52.7539 37.3797 172.9695 23 Q 4.8906 7.0905 117.8075 56.4413 30.6975 175.1672 24 R 4.4861 8.7720 120.2618 55.4191 31.9417 175.9256 25 G 4.3116 8.2164 107.8414 45.0252 0.0000 172.6978 26 L 4.6283 8.4036 122.1586 55.4848 44.6674 173.1229 27 T 5.0952 8.6413 115.2912 61.7997 71.8190 173.6585 28 I 4.6065 8.9692 127.1285 59.4285 39.6571 174.5892 29 W 4.6197 8.7932 135.0000 55.6319 32.1480 174.9954 30 L 4.8936 8.8572 129.5395 54.2015 42.2861 175.9903 31 T 4.8406 10.1926 119.4619 59.5994 70.3992 173.8424 32 G 4.3669 8.7247 115.5255 43.8568 0.0000 172.0380 33 L 3.7838 6.9561 119.2119 54.4414 42.0987 178.8476 34 S 3.9091 8.6038 116.7379 61.4234 62.6581 175.4753 35 A 4.5829 7.7410 121.0008 51.8504 18.8178 178.2543 36 S 3.9004 7.9364 113.5073 60.4824 63.4333 175.5114 37 G 3.9181 7.8510 110.3298 45.6062 0.0000 175.3853 38 K 3.9162 7.7165 120.1428 60.1182 32.4906 179.2595 39 S 4.1609 7.9073 117.1789 60.8933 62.7166 176.7567 40 T 3.8347 7.7401 117.8095 66.6825 68.3475 176.5873 41 L 3.9727 7.9608 120.6504 57.5254 41.5064 179.4779 42 A 3.8623 7.9504 120.7536 55.0881 18.3866 179.6030 43 V 3.4528 7.5193 116.4128 66.3599 31.5244 177.8467 44 E 3.9569 8.1338 118.8515 59.0284 29.4252 178.4300 45 L 3.9110 8.4482 120.7894 58.0647 42.1666 178.4949 46 E 3.8716 8.2781 119.2268 59.6726 29.5519 178.0846 47 H 4.0337 8.1617 116.0557 59.3098 28.7812 177.5769 48 Q 4.1327 8.3507 119.3486 59.0506 28.6233 178.9463 49 L 3.9852 8.0100 119.8839 57.8328 41.4609 179.8889 50 V 4.0863 7.5903 117.9222 66.3459 31.7238 177.4534 51 R 4.0149 8.7743 119.6927 59.1236 29.6050 177.9921 52 D 4.4376 7.9095 120.6318 57.0816 41.3986 177.7572 53 R 4.2898 8.3227 117.6953 55.9386 30.5693 176.9187 *54 R 3.8759 7.4824 114.2732 57.3078 27.4897 181.2536 55 V 4.6337 7.6735 116.9730 60.6091 35.4686 173.9014 56 H 4.9445 10.7201 121.8722 55.5204 30.6490 173.8808 57 A 5.4133 8.3794 126.1623 50.8115 22.7474 174.3933 58 Y 4.8222 9.1341 120.7491 56.1094 42.6834 173.8625 59 R 4.2261 8.4691 128.3841 55.1087 30.5008 177.3084 60 L 4.3482 8.2324 132.0228 53.7768 39.2327 175.8346 61 D 4.7142 7.5521 117.6264 53.1020 45.6283 174.8793 62 G 3.8172 8.7546 106.1794 44.3606 0.0000 174.6285 63 D 4.7035 8.8744 117.9605 57.1832 40.4388 178.6595 64 N 4.4516 8.2768 117.4293 56.0374 37.1376 177.2316 65 I 3.8251 7.6618 121.3513 64.1667 37.4649 178.0193 66 R 3.8647 7.9750 119.2079 58.5909 29.5496 177.4751 67 F 4.8215 8.5666 114.7216 56.7366 41.2568 175.3179 68 G 3.9364 8.1395 108.4112 44.5792 0.0000 175.2223 69 L 3.9434 9.4449 121.3197 57.7618 43.0993 176.4867 70 N 5.0491 8.1606 114.9582 52.8013 38.7892 176.9932 71 K 4.2727 8.1705 119.4614 58.5981 32.7090 177.2489 72 D 4.5798 7.9420 117.4034 53.5002 40.0522 175.8506 73 L 4.8872 7.5811 120.4954 53.1650 44.4219 176.7644 74 G 3.9580 8.7820 111.7127 45.9043 0.0000 174.3552 75 F 4.9557 8.4986 120.8569 57.6086 39.8867 176.2872 76 S 4.2007 8.0497 115.5449 58.5409 64.2235 174.4250 77 E 4.0243 8.8050 126.3367 59.2236 29.5880 178.9676 78 A 4.0850 7.9945 120.5030 55.1680 18.4471 179.2133 79 D 4.3481 7.9750 117.1520 57.2192 41.0169 178.6358 80 R 4.0619 8.4363 119.6707 59.7531 30.0774 178.3581 81 N 4.4494 8.3220 116.1884 56.3706 38.4466 177.0970 82 E 3.9719 8.4641 120.7778 59.0455 29.7216 178.4584 83 N 4.1806 8.7963 117.0276 56.4673 38.6833 177.3372 84 I 3.8654 7.8684 120.9436 64.4386 37.2435 178.4976 85 R 3.9365 8.3213 119.8778 59.5549 29.8342 178.8460 86 R 3.9722 8.2537 118.0310 59.3201 30.0332 179.1099 87 I 3.6995 7.8833 119.4497 64.3029 36.9733 178.3684 88 A 4.5458 8.4652 121.7286 55.3385 18.1975 179.6075 89 E 3.9674 8.4082 117.2742 59.5148 29.5792 179.7010 90 V 3.7317 8.3539 118.5475 65.8960 31.5123 177.9695 91 A 4.2612 8.7521 121.1877 55.1018 18.1588 179.5145 92 K 3.8963 8.4994 118.4368 59.4576 32.1848 179.1143 93 L 3.9503 7.9802 119.4211 57.8051 41.5677 179.3705 94 F 3.7126 8.4683 117.4396 60.5650 38.9110 177.6765 95 A 4.3208 8.5822 120.5954 55.1906 17.9233 179.1864 96 D 4.3669 8.2506 116.5428 56.9694 41.3415 177.6042 97 S 4.3457 7.6742 112.3209 57.5830 64.0238 173.2976 98 N 4.2494 8.0824 118.0234 55.2347 35.8732 173.1289 99 S 5.0314 8.0692 111.5514 56.6426 67.3334 173.1277 100 I 4.9502 8.5718 123.7517 59.6354 38.6188 175.0320 101 A 4.7271 9.1208 130.5956 51.3865 20.2444 176.0224 102 I 4.9042 8.6465 122.1150 59.7420 40.9570 174.6423 103 T 4.6833 8.7851 120.8155 60.1660 70.7782 173.8878 104 S 4.8428 9.1343 119.6681 56.5275 63.7078 173.5132 105 F 3.8570 7.6346 122.4777 58.6339 39.4196 174.9315 106 I 3.6274 6.8509 126.8718 61.5306 38.1873 176.9686 107 S 4.9331 8.3045 121.3165 56.6638 63.8646 171.8533 108 P 4.3581 0.0000 0.0000 65.7810 32.0880 176.2726 109 Y 5.2349 7.1717 114.6006 56.2518 40.1013 176.9879 110 R 3.8912 8.9744 121.9994 59.1117 29.9813 179.5804 111 K 3.9347 8.0664 118.3245 60.0792 32.4581 178.5224 112 D 4.3198 7.9093 119.4844 57.5548 40.8609 179.2487 113 R 3.3105 7.6798 117.6603 58.9683 30.0414 178.7469 114 D 4.2670 8.4674 119.2021 57.3072 40.5722 178.9344 115 T 3.6956 8.0567 116.5584 66.5106 68.3415 176.5628 116 A 3.7752 7.2711 122.1209 54.9256 18.1969 179.6514 117 R 2.5100 7.2898 117.4968 58.9330 29.9159 178.3046 118 Q 3.8419 7.9862 119.7078 59.3988 28.7641 178.5701 119 L 3.9835 7.3256 118.3051 58.1476 41.7946 179.0131 120 H 4.3491 7.9538 116.0521 58.7047 28.8861 177.1770 121 E 3.9695 8.4476 119.0664 56.4451 29.3112 176.6776 122 V 3.4686 7.1162 119.8901 62.0312 31.8092 174.8255 123 A 4.0890 8.9149 131.3899 53.6245 18.7067 177.7974 124 T 4.3211 8.6519 116.8958 60.2420 70.3556 168.6865 125 P 4.1511 0.0000 0.0000 65.9371 30.7607 174.1971 126 G 4.2704 9.3413 114.1358 45.5133 0.0000 173.3262 127 E 4.3605 7.6117 119.8860 56.1163 30.3734 176.6071 128 E 4.6693 8.4862 116.8259 55.6989 30.7241 175.6291 129 T 4.7437 7.4946 112.6155 61.5451 70.8763 173.6022 130 G 4.4340 8.1721 114.4184 44.0816 0.0000 172.6949 131 L 4.9664 8.7377 120.4305 51.9259 45.5952 175.2556 132 P 4.3931 0.0000 0.0000 63.0257 32.5149 174.9790 133 F 4.9964 8.9893 126.5387 56.6120 41.3223 174.9008 134 V 4.0654 8.6704 128.7409 61.3774 32.7186 174.4403 135 E 4.7223 9.4630 131.6125 55.2792 30.7206 175.2252 136 V 4.4575 8.6921 129.1741 61.5395 33.3355 174.2760 137 Y 4.9676 9.1923 131.6561 57.3549 39.5667 174.6236 138 V 4.3321 8.9591 129.4176 61.7196 31.3237 173.4635 139 D 4.2319 8.6497 127.5514 52.7686 42.1766 175.0440 140 V 4.8655 8.0432 125.0310 60.2525 35.2278 173.1952 141 P 4.4700 0.0000 0.0000 62.2739 32.2996 177.3349 142 V 3.6136 8.5643 119.7112 66.3723 31.1040 178.2202 143 E 4.0920 8.0966 115.7460 59.3970 29.4219 178.9053 144 V 3.7509 7.6927 117.7484 65.6583 32.0175 177.3785 145 A 4.1316 7.8470 119.9781 55.2718 18.1483 179.1976 146 E 4.1513 8.2072 116.1887 58.4075 29.9146 178.7685 147 Q 4.4590 7.9265 121.2749 56.8968 28.9694 180.9195 148 R 4.6420 7.6151 122.1162 57.9767 37.7400 176.6287 *170 A 5.0509 7.8316 116.1476 51.1719 20.2098 174.3155 171 P 4.8355 0.0000 0.0000 61.1337 33.0242 175.0063 172 Y 4.2326 8.5592 122.0262 58.5471 39.9126 174.8336 173 E 4.5814 8.3230 126.1144 54.0605 31.2221 175.9938 174 A 3.8357 8.3042 126.8986 50.7319 19.3473 175.2249 175 P 4.1462 0.0000 0.0000 62.1889 32.3386 176.4259 176 A 4.1040 8.6001 125.1856 55.0317 18.5679 178.2636 177 N 4.9907 7.5314 113.3633 51.1199 39.1897 171.7810 178 P 4.5213 0.0000 0.0000 62.0112 32.6627 177.4059 179 E 4.0612 8.4945 120.0408 58.8200 30.1069 177.8002 180 V 4.2721 7.5297 118.1596 61.0277 35.2074 173.8775 181 H 5.1895 8.9329 126.8137 54.5698 31.9594 172.7277 182 V 4.2514 8.9746 127.7142 61.4268 32.9275 175.4262 183 K 4.3607 8.5988 128.7638 55.5596 30.8942 176.1265 184 N 4.4990 8.9537 121.8430 53.7173 39.4653 174.4630 185 Y 4.2125 8.1962 121.2995 60.9178 39.1235 176.2059 186 E 3.4556 7.4582 122.8692 56.5669 27.2378 171.2371 187 L 4.6800 7.3955 121.5969 52.9203 44.2109 174.2541 188 P 4.3554 0.0000 0.0000 62.2051 32.3439 177.2043 189 V 3.5380 8.6479 121.6883 66.6975 31.1738 178.4920 190 Q 3.9956 8.0621 116.8094 59.1336 28.5038 178.5787 191 D 4.3128 8.1374 119.6704 57.0190 40.8040 178.6334 192 A 3.9376 7.8560 120.8101 55.1620 18.5695 179.4971 193 V 3.5099 7.8448 116.7587 66.1123 31.5181 177.9651 194 K 3.8876 8.2379 119.3812 59.7248 32.0751 178.3694 195 Q 3.9472 8.2799 119.7168 59.1744 28.9132 178.5264 196 I 3.7712 7.9230 120.8621 64.5283 37.1850 178.4099 197 I 3.7945 8.2970 120.9524 64.6108 36.9487 178.2057 198 D 4.3518 8.8980 120.1255 57.5243 40.3867 178.2428 199 Y 3.9700 7.8323 119.0264 60.5682 39.0804 177.6917 200 L 4.1125 8.0621 119.8765 58.1452 41.7290 179.3687 201 D 4.3163 8.2285 119.0170 57.3390 40.5311 178.7098 202 T 3.7823 7.5743 108.9958 63.6546 68.6807 175.5243 203 K 3.9395 7.2145 119.8075 55.3677 33.1563 177.4258 204 G 3.8855 7.7762 107.5486 45.5106 0.0000 174.8322 205 Y 4.5587 7.4451 118.4325 60.2491 38.0142 176.3690 206 L 5.0437 7.2608 117.1532 52.1203 44.2730 173.8240 207 P 4.6662 0.0000 0.0000 61.0823 32.7369 175.6477 208 A 3.9593 8.5293 122.4852 52.5405 18.6409 177.8591 209 K 3.9201 8.7592 123.7857 57.3393 32.8651 177.7935 210 K 4.2030 8.4678 121.0504 54.9769 31.7389 177.7940 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 *8 H 8.44 4.69 0.00 2.95 3.02 0.00 7.14 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 9 A 8.04 4.40 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 10 S 8.05 4.44 0.00 3.77 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 11 A 8.01 4.47 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 12 L 8.71 3.68 0.00 1.76 1.72 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.84 4.56 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 14 R 8.40 3.84 0.00 1.90 2.16 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 15 S 8.09 4.25 0.00 3.91 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 16 E 7.97 3.94 0.00 2.00 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 0.00 2.30 2.31 0.00 17 R 8.49 3.98 0.00 1.96 2.12 0.00 3.49 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 1.62 1.65 0.00 18 T 8.78 3.86 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 19 E 7.98 3.92 0.00 2.09 2.25 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 2.33 2.37 0.00 20 L 7.92 4.18 0.00 1.65 1.71 0.95 0.97 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 21 R 8.70 4.13 0.00 1.81 1.99 0.00 3.46 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 22 N 8.09 4.14 0.00 2.83 2.83 0.00 0.00 7.06 7.24 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 23 Q 7.09 4.89 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 24 R 8.77 4.49 0.00 1.93 1.84 0.00 3.30 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 25 G 8.22 4.31 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 0.00 26 L 8.40 4.63 0.00 1.71 1.42 0.87 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.64 5.10 4.29 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 1.39 0.00 0.00 28 I 8.97 4.61 1.82 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 0.88 0.00 0.00 29 W 8.79 4.62 0.00 3.11 2.73 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 30 L 8.86 4.89 0.00 1.57 1.60 0.88 0.41 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 31 T 10.19 4.84 4.57 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 1.49 0.00 0.00 32 G 8.72 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 0.00 0.00 0.00 0.00 33 L 6.96 3.78 0.00 1.55 1.47 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.60 3.91 0.00 3.78 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 35 A 7.74 4.58 1.24 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 0.00 0.00 0.00 36 S 7.94 3.90 0.00 4.04 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 37 G 7.85 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 38 K 7.72 3.92 0.00 2.01 2.07 0.00 1.44 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.43 7.81 39 S 7.91 4.16 0.00 3.84 3.91 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 0.00 0.00 0.00 40 T 7.74 3.83 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 1.18 0.00 0.00 41 L 7.96 3.97 0.00 1.82 1.69 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.95 3.86 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 43 V 7.52 3.45 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 1.01 0.00 0.00 0.92 0.00 0.00 44 E 8.13 3.96 0.00 2.11 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 2.29 2.35 0.00 45 L 8.45 3.91 0.00 1.82 1.87 0.94 0.82 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 46 E 8.28 3.87 0.00 1.97 2.01 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 2.24 2.29 0.00 47 H 8.16 4.03 0.00 3.46 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.35 4.13 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 49 L 8.01 3.99 0.00 1.84 1.75 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.59 4.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 68 G 8.14 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 0.00 0.00 0.00 69 L 9.44 3.94 0.00 1.63 1.74 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.16 5.05 0.00 2.85 2.70 0.00 0.00 6.77 6.78 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 71 K 8.17 4.27 0.00 1.88 2.08 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.29 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.32 7.81 72 D 7.94 4.58 0.00 2.78 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 73 L 7.58 4.89 0.00 1.71 1.59 0.96 0.62 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 74 G 8.78 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 0.00 0.00 0.00 75 F 8.50 4.96 0.00 3.04 3.01 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 84 I 7.87 3.87 2.16 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.35 1.06 0.00 0.00 85 R 8.32 3.94 0.00 1.96 2.06 0.00 3.10 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 1.64 1.68 0.00 86 R 8.25 3.97 0.00 1.98 1.95 0.00 3.42 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 1.65 1.92 0.00 87 I 7.88 3.70 1.85 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.42 0.78 0.00 0.00 88 A 8.47 4.55 1.52 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 0.00 0.00 89 E 8.41 3.97 0.00 2.20 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 2.53 2.48 0.00 90 V 8.35 3.73 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 1.33 0.00 0.00 1.04 0.00 0.00 91 A 8.75 4.26 1.64 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 0.00 0.00 92 K 8.50 3.90 0.00 1.77 2.00 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.37 7.81 93 L 7.98 3.95 0.00 1.98 1.57 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.47 3.71 0.00 3.44 3.25 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 95 A 8.58 4.32 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.25 4.37 0.00 2.77 2.84 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 97 S 7.67 4.35 0.00 3.94 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 98 N 8.08 4.25 0.00 2.90 2.98 0.00 0.00 6.60 7.44 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 99 S 8.07 5.03 0.00 3.97 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 0.00 100 I 8.57 4.95 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.60 1.90 0.00 109 Y 7.17 5.23 0.00 3.01 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 0.00 110 R 8.97 3.89 0.00 1.79 1.90 0.00 3.05 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 111 K 8.07 3.93 0.00 1.95 2.03 0.00 1.63 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.63 7.81 112 D 7.91 4.32 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 0.00 113 R 7.68 3.31 0.00 1.74 1.82 0.00 3.36 0.00 0.00 3.44 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.24 0.00 114 D 8.47 4.27 0.00 2.73 2.59 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 0.00 115 T 8.06 3.70 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 1.14 0.00 0.00 116 A 7.27 3.78 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.15 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 126 G 9.34 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 0.00 0.00 0.00 127 E 7.61 4.36 0.00 2.14 1.89 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 2.32 2.40 0.00 128 E 8.49 4.67 0.00 1.98 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 0.00 2.16 1.85 0.00 129 T 7.49 4.74 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 1.26 0.00 0.00 130 G 8.17 4.43 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 0.00 131 L 8.74 4.97 0.00 1.49 1.60 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.39 0.00 1.74 1.97 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.08 0.00 133 F 8.99 5.00 0.00 2.98 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 0.00 134 V 8.67 4.07 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 0.91 0.00 0.00 1.15 0.00 0.00 135 E 9.46 4.72 0.00 2.22 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 2.35 2.39 0.00 136 V 8.69 4.46 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 0.96 0.00 0.00 0.91 0.00 0.00 137 Y 9.19 4.97 0.00 3.01 2.68 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 0.00 138 V 8.96 4.33 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 0.78 0.00 0.00 0.95 0.00 0.00 139 D 8.65 4.23 0.00 1.58 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 0.00 140 V 8.04 4.87 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 0.95 0.00 0.00 0.98 0.00 0.00 141 P 0.00 4.47 0.00 2.32 2.08 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.65 0.00 142 V 8.56 3.61 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 1.19 0.00 0.00 0.99 0.00 0.00 143 E 8.10 4.09 0.00 2.14 2.06 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 2.23 2.27 0.00 144 V 7.69 3.75 2.33 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 1.04 0.00 0.00 1.00 0.00 0.00 145 A 7.85 4.13 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 0.00 146 E 8.21 4.15 0.00 2.06 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 2.35 2.66 0.00 147 Q 7.93 4.46 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 148 R 7.62 4.64 0.00 1.72 1.91 0.00 3.19 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 *170 A 7.83 5.05 1.37 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 0.00 0.00 0.00 171 P 0.00 4.84 0.00 2.13 2.05 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 172 Y 8.56 4.23 0.00 3.10 2.91 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 0.00 0.00 0.00 173 E 8.32 4.58 0.00 1.61 1.68 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 2.21 2.54 0.00 174 A 8.30 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.15 0.00 2.11 2.16 0.00 2.36 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 176 A 8.60 4.10 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 0.00 177 N 7.53 4.99 0.00 2.64 2.68 0.00 0.00 6.98 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.52 0.00 2.52 2.08 0.00 3.86 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 2.05 2.08 0.00 179 E 8.49 4.06 0.00 1.69 1.40 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 2.45 2.38 0.00 180 V 7.53 4.27 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 0.95 0.00 0.00 0.42 0.00 0.00 181 H 8.93 5.19 0.00 3.20 3.15 0.00 5.78 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 V 8.97 4.25 2.16 0.00 0.00 0.00 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 0.93 0.00 0.00 183 K 8.60 4.36 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.28 7.81 184 N 8.95 4.50 0.00 2.73 2.80 0.00 0.00 6.69 8.04 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 0.00 185 Y 8.20 4.21 0.00 2.93 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 0.00 186 E 7.46 3.46 0.00 2.10 1.84 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 2.16 1.85 0.00 187 L 7.40 4.68 0.00 1.61 1.59 0.90 0.80 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 0.00 188 P 0.00 4.36 0.00 2.40 1.91 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 189 V 8.65 3.54 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 1.04 0.00 0.00 0.89 0.00 0.00 190 Q 8.06 4.00 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 191 D 8.14 4.31 0.00 2.84 2.70 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 0.00 192 A 7.86 3.94 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 0.00 193 V 7.84 3.51 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 0.92 0.00 0.00 0.94 0.00 0.00 194 K 8.24 3.89 0.00 1.92 1.99 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.57 7.81 195 Q 8.28 3.95 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 196 I 7.92 3.77 2.05 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 1.54 0.88 0.98 0.00 0.00 197 I 8.30 3.79 1.90 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 1.57 0.84 0.94 0.00 0.00 198 D 8.90 4.35 0.00 2.69 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 0.00 199 Y 7.83 3.97 0.00 3.05 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 0.00 200 L 8.06 4.11 0.00 1.99 1.87 1.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 201 D 8.23 4.32 0.00 2.78 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 0.00 202 T 7.57 3.78 4.10 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 0.00 0.00 0.00 1.17 0.00 0.00 203 K 7.21 3.94 0.00 0.79 0.74 0.00 1.54 0.00 0.00 1.35 0.00 0.00 2.83 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.54 0.88 7.81 204 G 7.78 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 0.00 205 Y 7.45 4.56 0.00 3.03 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 0.00 206 L 7.26 5.04 0.00 1.91 1.62 0.97 1.06 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 0.00 207 P 0.00 4.67 0.00 2.22 2.30 0.00 3.83 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 1.96 1.98 0.00 208 A 8.53 3.96 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 0.00 209 K 8.76 3.92 0.00 1.74 1.80 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.53 7.81 210 K 8.47 4.20 0.00 1.78 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.