NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 L 4.4176 8.1693 120.6456 54.2608 42.8316 176.4739 30 S 4.1719 8.3171 116.8078 55.7758 63.5099 172.9707 31 P 4.3855 0.0000 0.0000 65.1668 32.0837 178.2369 32 N 4.5455 8.1258 115.2717 54.0606 37.8633 174.7316 33 L 4.8581 7.7514 119.0988 53.0584 43.9689 175.6523 34 I 4.4925 8.2394 122.6831 59.3293 39.6961 175.5000 35 G 4.1894 8.7093 114.9261 45.4921 0.0000 173.9345 36 F 4.7432 9.4073 126.7623 59.9781 40.0157 174.9764 37 N 4.7862 8.2118 116.9359 52.5647 37.8475 174.3795 38 S 4.5517 7.5359 111.7005 56.8631 67.5931 172.8265 39 N 4.1663 8.6906 120.8768 56.9353 38.6800 176.5929 40 E 3.9115 8.1837 120.2062 59.3133 29.8768 178.9046 41 G 4.1678 8.0342 107.0124 47.3508 0.0000 175.5876 42 E 3.8933 8.2083 120.8990 59.1632 29.4178 179.5903 43 K 3.9330 8.1639 118.6036 59.3429 31.7901 179.4137 44 L 3.4481 7.3100 118.5942 57.1572 41.3637 178.9884 45 L 4.3277 7.5931 119.2078 58.2350 41.8893 179.0457 46 L 4.0500 7.7475 118.0832 57.1418 41.6263 178.5252 47 T 4.2531 7.6402 107.3354 60.8395 69.7354 175.0426 48 S 4.3342 7.0644 117.4780 58.6502 62.9501 173.6745 49 R 4.7433 8.9776 125.0942 56.0902 30.7870 177.2321 50 S 4.7721 8.2524 114.7594 56.8022 63.8353 174.7592 51 R 4.8497 7.9272 113.4267 54.7617 32.0393 177.2924 52 E 4.2604 8.6898 120.9131 60.2285 29.2170 178.3976 53 D 4.7069 8.2725 117.8638 56.7727 40.7186 178.2063 54 F 3.8850 8.1727 121.5729 61.4057 38.9422 176.9425 55 F 3.9199 8.0255 116.6902 59.9197 38.9192 175.6255 56 P 4.4070 0.0000 0.0000 65.8439 31.2327 178.1454 57 L 3.9129 7.6202 118.3464 57.1094 42.1226 180.6165 58 S 3.8576 7.5646 116.0896 57.7294 61.5973 175.5182 *60 Q 4.2779 8.0605 117.7049 56.0504 30.3901 175.6070 61 F 4.4839 7.7583 120.7251 58.8565 39.7046 174.6588 62 V 4.4798 8.1546 119.2467 59.7911 35.5575 174.7092 63 T 4.4965 8.1051 118.2031 61.9175 69.4879 175.2579 64 Q 4.3703 8.7165 125.2693 56.5536 28.9085 177.6055 65 V 3.7688 8.9949 121.7934 63.9725 31.9970 175.2006 66 N 4.8990 7.5928 116.3348 51.3150 40.0810 174.6494 67 Q 4.2678 8.6187 115.6928 57.4779 28.7525 176.8558 68 A 4.7033 8.5447 119.8493 52.3757 20.1671 176.9588 69 Y 4.7025 8.0661 113.6295 57.9058 38.2677 177.0008 70 C 4.1500 8.3066 119.1768 61.7727 29.3356 176.0668 71 G 3.4648 7.9139 107.5154 47.2516 0.0000 175.8051 72 V 2.9182 7.4072 119.8417 65.4549 31.3672 177.7312 73 A 3.9436 7.8545 119.4384 55.3425 18.5762 179.4942 74 S 4.1469 7.9945 113.4924 61.6824 62.8728 176.9935 75 I 3.5461 7.5829 122.7337 63.9234 36.9268 179.6042 76 I 3.8855 7.3945 114.6855 60.8324 37.5089 178.2615 *78 V 3.5112 7.8012 121.3820 63.9605 33.5375 177.0111 79 L 3.8649 8.0765 119.8861 57.8831 41.7794 179.3262 80 N 4.4916 8.3839 116.1745 56.3484 38.6626 177.7404 81 S 4.0802 7.7538 113.0921 61.2267 62.9119 175.1543 82 L 4.3386 8.0185 118.5227 55.1311 41.6556 177.6474 83 G 3.9435 8.0373 106.7250 45.9752 0.0000 173.7630 84 I 3.9192 7.7470 120.8790 60.9405 37.4268 175.7789 85 N 4.5138 8.7633 123.1788 52.8917 39.1987 174.9608 86 A 3.3855 8.0790 127.3935 54.8572 18.6895 177.1660 *95 Y 4.5203 7.4683 110.9844 58.1677 39.6400 176.1869 96 R 4.5687 8.3101 122.0328 54.1991 30.3469 174.7533 97 V 4.5699 7.2607 118.1159 59.5513 34.1733 176.7425 98 F 4.4851 8.3956 120.0900 57.7571 39.8665 175.8624 99 T 4.8282 8.2160 118.7448 61.1346 73.6304 175.3205 100 Q 4.1810 8.7862 122.7269 59.4442 28.9228 178.7903 101 D 4.6796 8.3044 118.8251 56.2446 41.2865 177.1388 102 N 4.9891 7.9100 116.5672 52.0038 37.8954 176.2491 103 F 4.2617 8.1240 123.5446 61.2986 39.5718 175.3729 104 F 4.5797 8.0779 113.3848 57.7645 38.9819 176.1659 105 S 4.4942 7.9989 117.3179 59.5870 62.8196 176.4757 *109 T 4.1127 8.0863 118.4366 63.6158 68.7329 176.6333 110 K 4.1041 8.0419 119.7709 59.4115 32.2407 179.0437 111 A 4.1764 7.8786 120.3469 54.7008 18.7364 178.9769 112 V 3.7346 7.5816 115.2934 65.3649 31.7433 176.1399 113 I 4.4168 7.0761 116.7494 59.3240 41.3954 173.9863 114 A 4.0812 8.4917 130.5389 51.3399 19.1076 176.4188 115 P 3.4610 0.0000 0.0000 65.4679 30.9213 179.0009 116 E 3.9136 7.9643 115.8856 59.2113 29.4199 179.4120 117 V 3.4535 7.6040 119.2209 65.8509 31.5923 178.1675 118 V 4.0128 7.9847 118.6391 65.5074 31.1549 177.6265 119 A 4.1532 8.3412 120.1290 54.5335 18.2067 178.9080 120 R 4.3449 7.3420 113.0730 57.3872 30.5451 177.1934 121 Q 4.5536 8.0147 114.5476 54.0935 32.1373 176.8795 122 G 3.7581 8.1110 109.9083 47.2211 0.0000 177.1835 *124 T 4.2007 8.3745 116.0608 60.6231 70.9417 173.3989 125 L 3.8570 8.2002 121.9502 58.6775 42.0011 178.7626 126 D 4.3884 8.0301 118.1029 57.3131 40.7287 178.4891 127 E 3.9959 8.1898 119.1809 59.0571 29.4572 178.8374 128 L 4.0077 8.3146 121.0299 58.1882 42.0433 179.1793 129 G 3.6843 7.9968 105.3545 48.2017 0.0000 175.8667 130 R 3.9709 8.0713 120.9485 58.5821 29.7842 179.2570 131 L 4.0633 8.1594 118.6303 57.7772 41.9468 179.1911 132 I 3.9405 7.8935 119.5117 64.5293 37.1602 178.4426 133 A 4.4308 8.5560 122.8109 54.2056 17.9176 179.4801 134 S 4.1496 7.7817 111.5350 60.6072 63.0534 174.5848 135 Y 4.4234 7.7144 119.1362 57.5933 37.7754 176.0292 136 G 3.9214 8.1951 107.3864 46.1713 0.0000 174.1144 137 V 4.4149 7.4410 112.0073 59.2951 34.4204 175.0526 138 K 4.5453 8.7389 125.3632 56.1548 33.3309 176.0710 139 V 5.0527 8.3658 125.7261 59.7669 34.7057 174.6334 140 K 4.5134 9.1184 124.7160 54.7516 34.6017 174.6573 141 V 4.1463 8.3963 128.0450 61.8626 32.9010 174.9469 142 N 4.6592 8.6044 125.7273 51.3469 40.6379 173.5986 143 H 4.5177 8.4798 121.3663 55.0091 29.9561 176.8249 144 A 4.0581 8.8127 126.2473 55.4726 17.8361 180.3117 145 S 4.2948 8.0262 111.3673 60.6539 63.0216 175.3356 146 D 4.9227 7.9500 120.7028 56.0242 41.6312 175.7557 147 T 4.5933 8.2805 113.9628 60.7289 69.8369 172.2745 148 N 4.5752 8.4155 115.7379 50.6999 41.4346 174.7237 149 I 2.7689 6.8295 120.1674 63.8266 37.7930 177.7883 150 E 3.8751 7.8029 118.9557 59.5302 29.3450 178.9144 151 D 4.3435 8.7134 119.3442 57.0129 40.8430 178.3223 152 F 4.0509 8.4021 121.5206 61.3873 39.2534 177.1248 153 R 3.4731 7.9872 117.9097 59.2001 29.9006 178.5333 154 K 3.8260 8.0108 118.1806 59.7204 32.1216 179.4778 155 Q 3.9711 8.2304 118.3708 58.8497 28.5736 179.0025 156 V 3.7053 7.8208 119.1601 65.9141 31.2976 177.8872 157 A 3.9843 7.8333 119.6912 55.1409 18.3288 178.9442 158 E 3.9888 8.1282 117.8042 59.3456 29.6493 178.4438 159 N 4.2248 8.2513 117.1203 56.8023 39.1912 176.7629 160 L 4.3896 8.1894 121.2275 56.5789 41.4741 178.9655 161 K 4.3347 7.8049 116.9050 56.5893 32.3263 176.5550 162 Q 4.5310 7.4960 119.3078 53.6389 30.4757 175.2552 163 D 4.2822 8.4130 122.3758 55.0004 41.9513 176.2373 164 G 4.0034 10.2833 110.6518 45.1176 0.0000 172.6715 165 N 5.0356 6.5616 114.2915 52.0957 40.0600 173.3844 166 F 4.9622 9.1632 117.9931 56.3848 44.6640 173.3412 167 V 5.0323 8.6054 118.9510 61.3500 34.6646 173.9647 168 I 4.9369 8.6443 127.8963 59.6406 40.2498 174.9848 169 V 4.9027 8.7260 119.5532 59.6496 34.8761 174.2641 170 N 5.4936 9.2388 122.3868 52.0547 41.6084 172.7512 171 Y 5.1175 8.3776 123.0735 55.5687 42.5148 173.5381 172 L 4.4849 8.6587 123.5238 54.4120 42.8446 177.7157 173 R 4.0909 8.7803 126.8195 59.3199 30.1611 178.8103 174 K 4.2538 7.6485 119.3936 59.0185 31.8861 178.2891 175 E 4.2409 8.0824 116.8736 57.7051 29.5157 177.3902 176 I 4.2197 7.6745 110.6375 60.3793 38.1130 175.9762 177 G 3.9400 8.0699 107.6064 47.2571 0.0000 173.2974 178 Q 4.6313 8.0523 117.7308 53.5578 31.5900 174.6827 179 E 4.4593 10.3878 122.3886 56.5076 29.9653 177.6327 *180 R 4.9873 8.0604 121.0258 54.7919 32.4858 169.7887 181 G 4.2455 7.8271 109.4401 47.7415 0.0000 174.1108 182 G 4.0647 8.7139 112.5125 46.6384 0.0000 172.0589 183 H 5.0783 9.0073 123.3660 54.1723 34.1453 171.8967 184 I 5.0817 7.3794 121.2365 59.8019 40.4765 174.9651 185 S 5.1217 8.6143 120.4203 57.6042 67.8118 172.5611 186 P 4.8623 0.0000 0.0000 62.7068 32.0486 175.7368 187 L 4.7504 8.4844 121.8792 53.7109 42.6544 176.3428 188 A 4.7175 8.6207 123.6645 53.1092 21.3696 176.2608 189 A 4.8774 7.4840 114.1602 51.4125 22.6944 174.7153 190 Y 5.0132 9.1743 120.3251 55.8636 42.4694 173.6082 191 N 4.5699 8.7174 126.1619 51.8857 39.4905 175.3803 192 E 3.4923 8.3376 126.8548 59.3182 29.9806 179.2728 193 Q 3.8855 7.9296 118.5973 58.4753 29.1366 176.6125 194 T 4.1710 7.6634 104.9954 60.3308 70.1910 173.3199 195 D 4.3320 7.1687 120.1742 54.7953 40.2172 172.6280 196 R 5.3008 7.4358 116.6180 54.6086 34.5829 176.2801 197 F 5.4007 9.4931 121.4295 55.8498 42.1046 174.6622 198 L 3.9567 8.5963 125.3485 53.9720 42.5353 174.8137 199 I 4.3711 8.1151 134.2008 60.8925 40.1783 174.8262 *201 D 4.6301 8.5905 126.8725 55.3562 41.6126 177.2859 202 V 3.9964 8.7715 119.6990 63.2459 32.5510 176.8388 203 S 4.0864 8.5391 119.7031 57.3887 61.2067 175.5661 204 R 3.9350 7.2302 119.8247 58.8752 30.5917 178.4994 205 Y 4.2332 7.1569 114.7997 58.5281 38.5063 176.1407 206 K 4.1937 7.4025 120.5660 57.2933 33.7026 175.6353 207 Y 4.9719 7.1659 113.2207 55.3912 41.7260 173.1041 208 P 4.7451 0.0000 0.0000 61.2798 32.8754 173.9932 209 P 4.6145 0.0000 0.0000 63.1355 32.3716 176.1590 210 V 4.9453 8.1361 115.2161 59.4274 36.3927 174.8134 211 W 5.1990 9.4584 124.7215 55.7646 30.3512 175.6072 212 V 4.7776 8.8358 125.7433 59.2664 33.6571 175.8435 213 K 4.5612 8.7732 123.3964 56.9055 32.9155 177.8012 214 T 4.3076 9.1710 120.8589 67.4324 68.4537 176.9663 215 T 4.1246 8.0666 110.9670 65.0223 68.7910 176.1770 216 D 4.4032 8.1224 121.2524 56.9374 40.7953 178.2818 217 L 3.8442 8.0291 120.0868 57.6457 42.1484 178.4498 218 W 4.0532 8.4511 127.7815 60.4950 30.7634 177.6743 219 K 3.9875 7.9835 116.7016 59.2384 31.6727 178.9965 220 A 4.1673 7.8330 119.3250 52.2720 19.0829 177.0854 *222 N 4.4157 8.0662 116.3071 55.3980 38.7955 173.9084 223 T 4.6710 7.2655 108.4594 59.7963 73.2016 174.1110 224 V 4.3765 8.2159 123.4103 62.1621 32.6758 174.6819 225 D 4.6359 8.8799 129.0479 53.5173 41.4599 177.3458 226 S 4.0876 8.8833 121.3915 61.2333 63.4939 175.9452 227 V 3.7104 8.1602 120.8071 65.6522 31.2936 177.0805 228 S 4.3217 8.0071 111.9583 58.4590 63.5902 174.1076 229 Q 3.5293 8.2843 118.2742 56.6532 26.7603 172.9446 230 K 4.8508 7.8244 115.6986 54.2547 36.4700 176.0396 231 T 4.5026 8.3262 111.6392 62.0286 69.8529 175.4572 232 R 4.1486 8.4369 121.5509 57.2461 32.6579 176.0067 233 G 4.0540 6.7845 107.2152 46.6677 0.0000 171.2451 234 F 5.3655 7.8348 117.0404 55.3706 42.1043 174.2183 235 V 4.6940 8.7947 119.8353 61.1909 34.7988 174.1204 236 F 5.4830 8.9035 126.3814 56.4164 40.9435 174.9087 237 V 5.0637 9.1803 123.5356 61.2523 34.6033 174.4662 238 S 5.0500 8.9593 120.8872 56.8676 67.2348 174.5856 239 K 4.2043 8.5215 118.3873 56.8314 31.8955 177.3289 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 29 L 8.17 4.42 0.00 1.71 1.71 1.00 0.64 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 30 S 8.32 4.17 0.00 4.16 4.08 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 31 P 0.00 4.39 0.00 2.21 2.24 0.00 3.78 0.00 0.00 3.73 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 32 N 8.13 4.55 0.00 2.88 3.01 0.00 0.00 5.95 7.79 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 33 L 7.75 4.86 0.00 1.77 1.64 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.24 4.49 2.00 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 1.18 0.71 0.95 0.00 0.00 35 G 8.71 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 36 F 9.41 4.74 0.00 3.01 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 37 N 8.21 4.79 0.00 2.96 3.12 0.00 0.00 5.79 7.64 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 38 S 7.54 4.55 0.00 4.01 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 39 N 8.69 4.17 0.00 2.81 2.82 0.00 0.00 6.54 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 40 E 8.18 3.91 0.00 2.02 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 2.27 2.28 0.00 41 G 8.03 4.17 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 0.00 0.00 0.00 42 E 8.21 3.89 0.00 2.04 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 1.83 2.26 0.00 43 K 8.16 3.93 0.00 1.80 1.73 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.53 7.81 44 L 7.31 3.45 0.00 0.29 0.13 0.14 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.59 4.33 0.00 2.20 1.92 0.57 -0.13 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 46 L 7.75 4.05 0.00 1.75 1.70 0.89 0.97 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 47 T 7.64 4.25 4.12 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 1.16 0.00 0.00 48 S 7.06 4.33 0.00 3.90 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.98 4.74 0.00 1.95 1.89 0.00 3.34 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 50 S 8.25 4.77 0.00 4.20 3.86 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 51 R 7.93 4.85 0.00 2.04 2.20 0.00 3.18 0.00 0.00 3.59 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 52 E 8.69 4.26 0.00 2.21 2.24 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 2.48 2.56 0.00 53 D 8.27 4.71 0.00 3.04 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 54 F 8.17 3.89 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 3.92 0.00 3.29 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 56 P 0.00 4.41 0.00 2.31 2.31 0.00 4.29 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 2.46 2.33 0.00 57 L 7.62 3.91 0.00 1.47 1.45 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.56 3.86 0.00 3.48 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 *60 Q 8.06 4.28 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 61 F 7.76 4.48 0.00 2.88 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 62 V 8.15 4.48 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 0.87 0.00 0.00 0.95 0.00 0.00 63 T 8.11 4.50 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 1.45 0.00 0.00 64 Q 8.72 4.37 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.73 2.70 0.00 65 V 8.99 3.77 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 0.65 0.00 0.00 0.88 0.00 0.00 66 N 7.59 4.90 0.00 2.80 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0.00 2.16 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.11 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 101 D 8.30 4.68 0.00 2.72 2.81 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 0.00 0.00 0.00 102 N 7.91 4.99 0.00 2.98 3.09 0.00 0.00 6.36 8.12 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 0.00 103 F 8.12 4.26 0.00 3.10 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 0.00 104 F 8.08 4.58 0.00 3.24 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 0.00 105 S 8.00 4.49 0.00 4.10 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 *109 T 8.09 4.11 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 0.63 0.00 0.00 110 K 8.04 4.10 0.00 1.85 1.89 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.76 7.81 111 A 7.88 4.18 1.27 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.37 0.00 154 K 8.01 3.83 0.00 1.84 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.61 7.81 155 Q 8.23 3.97 0.00 2.44 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 156 V 7.82 3.71 1.32 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 0.80 0.00 0.00 0.51 0.00 0.00 157 A 7.83 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.13 3.99 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 159 N 8.25 4.22 0.00 2.86 3.09 0.00 0.00 7.26 6.22 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 0.00 160 L 8.19 4.39 0.00 1.84 1.82 1.19 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.80 4.33 0.00 1.87 1.88 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.71 7.81 162 Q 7.50 4.53 0.00 2.17 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 163 D 8.41 4.28 0.00 2.73 2.56 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 0.00 164 G 10.28 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.56 5.04 0.00 2.70 2.67 0.00 0.00 5.91 7.43 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 0.00 166 F 9.16 4.96 0.00 3.00 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 0.00 167 V 8.61 5.03 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 0.98 0.00 0.00 1.18 0.00 0.00 168 I 8.64 4.94 1.86 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 1.20 0.71 0.93 0.00 0.00 169 V 8.73 4.90 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 0.72 0.00 0.00 1.07 0.00 0.00 170 N 9.24 5.49 0.00 2.72 2.71 0.00 0.00 6.84 7.16 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 0.00 171 Y 8.38 5.12 0.00 3.03 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 0.00 172 L 8.66 4.48 0.00 1.77 1.59 0.87 0.93 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 0.00 173 R 8.78 4.09 0.00 2.10 2.06 0.00 3.13 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 174 K 7.65 4.25 0.00 1.90 1.83 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.38 7.81 175 E 8.08 4.24 0.00 2.18 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 2.35 2.44 0.00 176 I 7.67 4.22 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.61 0.90 0.00 0.00 177 G 8.07 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 0.00 178 Q 8.05 4.63 0.00 2.13 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.81 0.00 0.00 0.00 0.00 0.00 1.62 2.04 0.00 179 E 10.39 4.46 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 2.37 2.35 0.00 *180 R 8.06 4.99 0.00 1.84 1.97 0.00 3.24 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.00 181 G 7.83 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 0.00 0.00 0.00 0.00 182 G 8.71 4.06 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 0.00 0.00 0.00 183 H 9.01 5.08 0.00 2.86 2.20 0.00 5.73 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 0.00 184 I 7.38 5.08 1.73 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 1.25 0.64 0.83 0.00 0.00 185 S 8.61 5.12 0.00 3.92 3.75 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 0.00 186 P 0.00 4.86 0.00 1.82 1.92 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 187 L 8.48 4.75 0.00 1.53 1.62 0.63 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.62 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.48 4.88 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 0.00 190 Y 9.17 5.01 0.00 2.73 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 0.00 191 N 8.72 4.57 0.00 1.99 2.12 0.00 0.00 6.82 7.54 0.00 0.00 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 E 8.34 3.49 0.00 1.97 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 2.45 2.45 0.00 193 Q 7.93 3.89 0.00 1.86 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 194 T 7.66 4.17 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 1.06 0.00 0.00 195 D 7.17 4.33 0.00 2.96 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 0.00 196 R 7.44 5.30 0.00 1.81 2.08 0.00 3.05 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 197 F 9.49 5.40 0.00 3.11 2.94 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 0.00 198 L 8.60 3.96 0.00 0.27 0.86 -0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 199 I 8.12 4.37 1.78 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 0.94 0.52 0.96 0.00 0.00 *201 D 8.59 4.63 0.00 2.81 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 0.00 202 V 8.77 4.00 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 0.81 0.00 0.00 1.00 0.00 0.00 203 S 8.54 4.09 0.00 3.79 3.27 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 0.00 204 R 7.23 3.93 0.00 1.62 1.80 0.00 2.48 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.36 0.00 205 Y 7.16 4.23 0.00 3.07 3.10 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 0.00 206 K 7.40 4.19 0.00 1.51 1.48 0.00 1.68 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.95 7.81 207 Y 7.17 4.97 0.00 3.04 2.69 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 0.00 208 P 0.00 4.75 0.00 2.35 2.20 0.00 4.03 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 209 P 0.00 4.61 0.00 1.92 1.86 0.00 3.80 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 210 V 8.14 4.95 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 0.83 0.00 0.00 0.86 0.00 0.00 211 W 9.46 5.20 0.00 3.37 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 0.00 212 V 8.84 4.78 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 1.02 0.00 0.00 0.93 0.00 0.00 213 K 8.77 4.56 0.00 2.05 1.87 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.53 7.81 214 T 9.17 4.31 4.63 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 0.00 0.00 1.58 0.00 0.00 215 T 8.07 4.12 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 216 D 8.12 4.40 0.00 2.90 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 0.00 217 L 8.03 3.84 0.00 1.62 1.80 0.48 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 218 W 8.45 4.05 0.00 3.41 3.32 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 0.00 219 K 7.98 3.99 0.00 1.96 1.86 0.00 1.95 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.68 7.81 220 A 7.83 4.17 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *222 N 8.07 4.42 0.00 1.65 2.38 0.00 0.00 6.95 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 0.00 223 T 7.27 4.67 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 1.19 0.00 0.00 224 V 8.22 4.38 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 0.74 0.00 0.00 0.90 0.00 0.00 225 D 8.88 4.64 0.00 2.74 2.62 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 0.00 226 S 8.88 4.09 0.00 4.00 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 0.00 227 V 8.16 3.71 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 0.79 0.00 0.00 0.92 0.00 0.00 228 S 8.01 4.32 0.00 4.01 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 0.00 229 Q 8.28 3.53 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 230 K 7.82 4.85 0.00 1.64 1.53 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.48 7.81 231 T 8.33 4.50 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 1.15 0.00 0.00 232 R 8.44 4.15 0.00 1.70 1.99 0.00 3.19 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 233 G 6.78 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 F 7.83 5.37 0.00 2.97 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 0.00 235 V 8.79 4.69 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 1.03 0.00 0.00 0.84 0.00 0.00 236 F 8.90 5.48 0.00 3.15 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 0.00 237 V 9.18 5.06 2.24 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 1.14 0.00 0.00 1.00 0.00 0.00 238 S 8.96 5.05 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 0.00 239 K 8.52 4.20 0.00 1.81 1.80 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.