NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2701 8.2431 120.8657 55.9117 31.2625 174.6624 4 G 4.0465 8.5353 112.6824 44.6671 0.0000 171.1874 5 L 4.8297 8.5545 125.6909 53.6697 46.3687 173.3423 6 N 5.2124 8.6390 123.3488 52.8436 40.3717 171.8465 7 R 4.6863 9.2956 122.0649 53.6681 34.2996 174.0125 8 V 4.6494 8.3563 123.9148 60.9617 34.4550 174.2166 9 F 5.4216 9.3363 126.1073 55.8668 42.2808 173.9842 10 L 5.4076 9.2006 123.4719 53.0322 46.1054 175.9266 11 I 5.4987 8.5384 122.8346 59.0716 41.2326 174.8544 12 G 4.3430 8.6472 112.5865 45.9439 0.0000 171.0470 13 A 5.2070 8.3924 121.2251 50.0597 21.7817 176.8589 14 L 4.5195 8.6629 121.0346 54.5411 41.9274 178.0942 15 A 4.3461 8.9539 127.9054 54.8646 18.9244 177.1899 16 T 4.6116 7.5838 102.5563 59.7200 71.9481 173.3185 17 R 3.9885 8.4038 122.7570 55.4999 30.5499 174.4234 18 P 4.5798 0.0000 0.0000 63.4176 32.2789 175.1987 19 D 4.8936 8.5532 121.3903 52.7729 44.1694 175.3380 *21 R 4.4554 8.1639 115.5367 56.6084 31.3042 173.9728 22 Y 5.0754 8.3106 115.8655 56.1729 41.5269 175.9818 23 T 4.3238 8.4906 113.9930 60.3752 69.9179 173.9275 24 P 4.1737 0.0000 0.0000 65.5580 31.3318 177.5823 25 A 4.1930 7.9690 118.1871 52.4210 18.3439 177.6933 26 G 3.8994 8.3204 104.5992 45.6434 0.0000 173.2096 27 L 4.4434 8.0467 122.7070 53.7481 43.4261 175.8950 28 A 3.8855 8.6257 128.7800 51.7231 19.7726 175.9031 29 I 4.6804 8.5087 123.0124 59.3342 40.4422 174.9137 30 L 4.6884 8.9908 130.3085 53.4423 44.3780 174.5587 31 D 5.3161 8.6595 127.3470 53.0545 42.7101 176.0221 32 L 5.1197 9.1865 122.7304 53.1481 46.4752 175.6499 33 T 5.0356 8.4216 116.8733 62.0658 71.5066 172.8857 34 L 5.1808 9.3477 127.3923 53.2359 44.1087 175.7061 35 A 4.5738 8.8929 124.7022 50.1154 22.3564 175.2075 36 G 3.6224 6.4170 107.3894 45.2348 0.0000 171.5421 37 Q 4.8584 8.7855 117.2564 55.3356 32.5325 172.7526 38 D 4.7645 9.0444 118.8867 53.5532 45.7200 173.3784 39 L 4.6943 8.3641 122.7734 53.5667 43.2830 175.6747 40 L 4.0070 9.2015 127.4767 56.7498 42.5105 177.0633 *48 R 4.0806 7.6879 119.5136 55.9054 31.2434 174.0105 49 E 4.8048 8.6874 125.4008 55.6390 30.8183 176.1838 50 V 4.7557 8.9107 117.8650 59.4710 35.3808 174.8130 51 S 5.0661 8.5272 116.7886 56.8419 66.4567 172.8448 52 W 5.2278 8.0328 116.6532 55.7486 31.7795 173.1680 53 Y 5.1030 8.8665 118.3371 56.9394 40.6080 174.3754 54 H 5.2389 10.0926 122.4699 53.9705 31.9332 173.6398 55 R 4.8166 8.8238 122.5572 55.6728 31.0604 176.0401 56 V 4.6706 9.2687 123.6754 60.9539 35.3378 173.9734 57 R 5.0244 8.8003 126.7257 54.6400 32.4705 174.2994 58 L 5.0803 9.0084 126.8165 53.4296 44.2238 175.5617 59 L 5.0934 8.0126 120.4917 52.2104 46.4467 177.9232 60 G 3.8346 8.6385 109.3372 46.2829 0.0000 176.7189 61 R 3.8728 8.6625 117.7796 59.4189 29.3035 178.5691 62 Q 4.0926 7.9538 116.9056 57.9643 28.8055 177.9240 63 A 4.2920 7.3630 121.6415 54.6826 19.4150 181.4103 64 E 4.1678 8.1776 119.5192 55.6407 28.8651 178.6309 *66 W 5.0948 7.9151 116.2569 56.0067 31.1264 175.6152 67 G 3.6947 7.7930 108.7259 46.8035 0.0000 173.6794 68 D 4.5924 9.0289 122.9329 55.2893 38.1994 174.4534 69 L 4.7947 7.9339 119.0319 54.1439 44.0156 176.6542 70 L 4.6936 7.9712 118.0285 52.7997 43.7520 174.9263 71 D 4.9870 8.1747 120.8931 51.5303 44.5486 174.4030 72 Q 4.2498 8.4345 122.7471 57.8624 29.3368 175.5471 73 G 4.0810 9.2365 112.6310 45.3123 0.0000 174.0217 74 Q 4.0207 7.7448 120.8325 56.7074 30.1100 175.8120 75 L 4.9090 8.4913 125.7377 54.2352 43.6150 176.0695 76 V 4.9068 8.9119 115.5800 59.6424 36.8262 173.9084 77 F 5.4834 9.2236 125.5397 56.5947 41.7215 174.1988 78 V 4.5296 9.0519 126.3322 60.8085 34.3699 173.5492 79 E 4.6816 8.4439 128.5606 54.3724 31.7005 173.6113 80 G 4.0306 8.6630 117.0947 45.8512 0.0000 171.3480 81 R 4.8371 8.6285 118.1223 55.3652 33.2979 174.5101 82 L 4.7955 8.9071 120.6633 53.9618 43.2228 176.2952 83 E 4.3930 9.0156 123.1085 54.6683 32.5245 173.7111 84 Y 5.1487 9.0020 128.2358 56.9051 40.6782 174.5031 85 R 4.4334 7.6868 124.3140 55.1631 34.2189 173.5556 86 Q 4.4184 8.3824 125.1806 54.1355 30.2315 175.3097 *95 S 4.2850 8.2792 116.6960 58.4298 64.4757 172.2335 96 E 4.6765 8.5915 120.1363 54.8824 33.2461 173.4011 97 L 5.2203 8.7954 128.9341 53.6145 43.7517 175.2362 98 Q 4.6533 8.9264 125.1036 54.8527 31.8592 174.8727 99 I 4.4473 8.1289 120.9886 59.9622 39.0030 174.6226 100 R 4.7151 8.7313 129.1591 54.9291 31.4060 174.8920 101 A 4.5486 8.5143 129.5816 51.4035 18.9572 176.7073 102 D 4.3247 8.9430 123.8348 56.3898 41.9514 177.2466 103 F 5.0952 7.8146 114.8668 55.7252 43.7686 173.6084 104 L 5.1681 8.8192 122.3872 53.5382 45.4085 175.2515 105 D 4.8453 8.8518 124.6883 51.7277 44.6740 173.4465 106 P 4.6632 0.0000 0.0000 62.7576 32.2359 175.6343 107 L 4.9209 8.4556 120.9757 52.6309 45.2060 176.2232 108 D 4.4212 8.8010 121.6615 54.6367 41.8970 175.5973 109 D 4.7505 8.4915 123.6797 52.7744 39.9177 175.8269 110 R 3.9204 8.3033 121.3986 58.3598 30.1188 176.9445 111 G 3.9461 8.9403 112.8215 45.4979 0.0000 172.9691 112 K 4.5920 7.9459 118.8437 54.6953 34.2354 175.5010 113 E 4.8105 8.3956 119.9974 54.6748 33.0620 175.0381 114 R 5.0867 8.6334 121.2410 54.4665 33.0888 175.1637 115 A 4.7493 9.0908 124.1762 50.3355 22.4123 175.1739 116 E 5.0943 8.3616 119.3886 54.3668 32.8012 175.7521 117 D 4.7556 9.0536 127.3119 52.1048 40.8260 177.2071 118 S 4.0762 8.5996 113.3170 60.9748 62.6797 175.2567 119 R 4.2776 8.1886 118.0443 55.6713 30.0145 176.8206 120 G 3.9779 8.3695 106.1826 45.6565 0.0000 173.4832 121 Q 4.6419 8.9262 119.7286 53.8331 30.3961 173.6542 122 P 4.9845 0.0000 0.0000 62.8010 32.8046 175.7418 123 R 4.5148 8.8275 120.4718 54.1689 34.3688 174.2043 124 L 4.3027 8.1138 125.8703 54.8511 43.2476 176.0791 125 R 4.3049 8.6497 125.5900 55.9658 31.1819 176.0716 126 A 3.8652 8.7379 121.8103 52.3028 16.0083 177.1228 127 A 4.4742 7.8254 121.8970 52.8308 20.2719 177.5338 128 L 4.7275 8.8098 120.6218 53.7478 44.5100 175.3606 129 N 4.9702 8.7279 124.6147 52.3405 40.2172 171.9147 130 Q 4.8544 9.4238 125.4923 53.7820 33.0291 173.6765 131 V 5.0228 8.7845 125.2179 59.9391 35.2277 174.1734 132 F 5.0266 9.4297 122.3439 55.9655 41.5711 174.7863 133 L 5.8216 8.1493 122.9022 52.2623 46.5849 174.8203 *135 G 4.0296 8.2577 104.0645 46.7327 0.0000 171.5061 136 N 5.7188 8.5078 117.9468 51.0986 43.1588 174.2698 137 L 4.7386 8.8160 122.6128 55.3285 42.4021 178.0013 138 T 4.4191 8.9670 113.9168 62.7417 69.6439 174.3431 139 R 4.4673 7.4083 116.6854 55.2795 31.8065 173.9780 140 D 4.5138 8.3763 118.2550 53.4561 41.3876 174.9294 141 P 4.5703 0.0000 0.0000 62.9213 32.5189 175.5553 142 E 4.6200 8.8763 121.5738 54.5267 32.1545 174.7658 143 L 5.1935 8.5364 126.5499 53.1577 44.8572 175.2650 144 R 4.7933 8.5537 120.6967 54.8702 33.6712 173.1071 145 Y 5.2401 8.3586 116.4296 56.1789 41.2264 176.1565 146 T 4.2875 8.9342 114.0121 60.4563 69.9305 173.6539 147 P 4.3697 0.0000 0.0000 66.0089 31.2703 177.7730 148 Q 4.1551 8.0716 113.7825 56.4590 28.7533 176.6764 149 G 4.0210 8.7427 107.0311 45.5200 0.0000 173.6243 150 T 4.4408 8.0697 117.2705 63.0152 69.8028 174.1220 151 A 3.8224 8.7565 127.9488 51.6247 20.3315 176.4406 152 V 4.2866 8.0863 120.2884 61.0879 35.0225 173.7012 153 A 5.0684 8.7769 129.9405 50.1180 22.1336 175.1625 154 R 4.9185 8.9412 120.1063 54.3296 33.5668 174.8386 155 L 5.0797 9.5209 123.7391 52.7407 46.0400 175.5704 156 G 4.3934 8.5663 108.3723 44.4573 0.0000 171.7279 157 L 5.3114 9.2271 128.0341 53.0898 45.2748 174.7330 158 A 4.8220 8.9951 128.1079 50.2026 21.4590 175.2521 159 V 4.4526 8.6191 123.6968 61.4975 33.8323 174.6490 160 N 5.2654 8.6394 125.4631 52.4013 40.7141 173.9362 161 E 4.8962 8.6845 119.1674 54.7252 33.4193 174.9689 162 R 4.1298 8.6246 122.7344 55.4369 29.9077 175.5654 *168 E 4.2399 8.5011 123.7153 55.8109 30.6617 174.7539 169 R 4.7990 8.2458 121.3061 54.7062 33.6351 173.9290 170 T 4.7975 8.2769 115.4969 61.9763 71.2724 173.3149 171 H 4.8058 8.9477 123.4029 54.0675 31.1122 173.4487 172 F 4.9753 7.6719 122.2134 56.0766 40.4563 175.5376 173 V 4.5167 9.0340 122.9128 61.1422 35.2231 173.8647 174 E 4.8353 8.8208 126.8874 55.5905 31.1696 175.2148 175 V 4.8362 9.0034 124.8388 61.0297 34.5427 173.7957 176 Q 5.1054 9.0953 128.7369 54.2678 31.7769 173.9688 177 A 5.1126 8.9419 126.7582 50.0017 22.9962 174.8192 178 W 5.0739 8.6583 118.4104 54.2450 33.4186 178.5495 179 R 3.6754 9.1010 121.5582 57.1268 29.8394 178.7482 180 D 4.4501 9.0131 124.6169 58.5497 40.4404 177.6102 181 L 4.0398 8.0560 119.9741 58.1401 42.1718 178.8130 182 A 4.0267 7.7850 120.5185 55.2064 18.1096 179.5299 183 E 4.0169 8.2287 116.3081 59.0916 29.2733 179.0557 184 W 4.2022 8.8179 128.9179 60.4327 30.7574 177.9911 185 A 4.0176 8.5372 120.4281 54.7344 17.5674 179.3200 186 A 3.8877 7.6379 118.2711 55.0253 18.4506 178.9550 187 E 4.0609 7.3755 114.2490 56.9194 29.8999 177.1516 188 L 4.2488 6.8998 119.0470 54.6741 42.5490 176.2461 189 R 4.7450 8.8555 118.0959 53.8865 34.2226 174.9526 190 K 3.8665 9.2305 121.4800 58.6544 32.4118 176.2767 191 G 4.1045 8.8382 114.1330 45.4795 0.0000 173.8279 192 D 4.5154 8.1321 119.4342 54.4102 41.9008 176.7432 193 G 4.1914 8.5872 108.5628 46.2953 0.0000 172.8327 194 L 5.0748 8.9796 123.4538 53.4779 45.6090 174.7102 195 F 5.1434 9.5810 129.1455 56.5101 41.8948 174.3029 196 V 4.6914 8.5898 125.8213 60.9741 35.3028 173.9544 197 I 4.3830 8.1880 127.5974 59.6281 40.0032 174.8687 198 G 4.0548 8.6665 114.8880 45.1889 0.0000 170.8179 199 R 5.0863 8.6824 115.8289 54.0923 32.6170 175.0757 200 L 4.6302 9.0162 122.4850 54.8432 42.4732 176.7043 201 V 4.8777 8.9259 115.9911 59.8124 36.4304 174.0006 202 N 5.3424 8.6319 117.7838 51.6535 40.4667 173.2364 203 D 5.2533 8.6902 119.9777 52.7580 44.2761 175.4933 204 S 5.3618 8.6199 115.6205 57.0875 66.2563 172.8929 205 W 5.0006 8.7593 119.2333 56.4744 32.0163 172.5950 206 T 4.9110 8.4970 116.2411 61.5122 69.9304 174.8781 207 S 4.4623 9.4769 122.6157 57.8944 63.2788 174.0767 208 S 4.4250 8.9256 118.6045 61.7798 63.3378 175.8376 209 S 4.7263 7.7778 122.2188 58.6699 61.7836 175.4198 210 G 3.7552 8.5614 107.3838 44.8008 0.0000 171.3437 211 E 3.7967 7.7843 121.9568 56.4536 30.5851 176.2622 212 R 4.7032 8.4228 126.7451 55.9529 30.8277 176.4908 213 R 4.2928 8.6732 124.4074 54.5151 32.8901 175.1670 214 F 5.3767 7.9811 121.8844 57.4147 42.4585 173.1053 215 Q 4.8405 8.6458 122.3695 55.2508 32.2989 173.2888 216 T 5.0533 8.5925 117.0399 62.3560 71.3435 173.6543 217 R 4.7276 9.1479 123.1737 55.1199 35.4773 173.5170 218 V 4.7448 8.4552 118.3874 61.4708 35.0024 174.1596 219 E 5.0301 9.0948 128.7623 54.2385 31.2420 174.9428 220 A 4.4785 8.8878 129.9541 52.3137 18.5904 176.7980 221 L 4.6253 9.0374 120.3719 55.3251 44.6770 177.2113 222 R 4.6429 7.5824 117.3072 54.6739 33.7359 173.8953 223 L 5.3733 8.1163 123.8502 53.2309 45.6277 175.4601 224 E 4.6670 9.3202 120.4316 54.9531 34.7768 174.5770 225 R 5.1442 8.8250 122.4039 53.8884 31.1531 173.3543 226 P 4.5979 0.0000 0.0000 62.2768 32.3638 176.7321 227 T 4.6140 8.1637 112.8381 60.7728 69.4317 173.9976 228 R 4.0473 8.2749 127.2976 58.0445 29.9711 175.6200 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 3 R 8.24 4.27 0.00 1.81 1.94 0.00 3.22 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 4 G 8.54 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 5 L 8.55 4.83 0.00 1.83 1.57 0.98 0.81 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 6 N 8.64 5.21 0.00 2.71 2.65 0.00 0.00 6.89 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 7 R 9.30 4.69 0.00 1.85 1.47 0.00 3.13 0.00 0.00 3.15 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 8 V 8.36 4.65 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 0.93 0.00 0.00 0.82 0.00 0.00 9 F 9.34 5.42 0.00 3.21 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 10 L 9.20 5.41 0.00 1.55 1.55 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.54 5.50 2.04 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 1.44 1.52 1.06 0.00 0.00 12 G 8.65 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 0.00 0.00 0.00 0.00 13 A 8.39 5.21 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 14 L 8.66 4.52 0.00 1.74 1.81 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.95 4.35 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 0.00 0.00 16 T 7.58 4.61 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 1.22 0.00 0.00 17 R 8.40 3.99 0.00 1.80 1.89 0.00 3.26 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 18 P 0.00 4.58 0.00 2.13 2.06 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 19 D 8.55 4.89 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 R 8.16 4.46 0.00 1.92 2.12 0.00 2.89 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 22 Y 8.31 5.08 0.00 2.92 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 23 T 8.49 4.32 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 1.25 0.00 0.00 24 P 0.00 4.17 0.00 2.07 2.16 0.00 3.69 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 2.03 2.10 0.00 25 A 7.97 4.19 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 26 G 8.32 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 27 L 8.05 4.44 0.00 1.83 1.57 0.94 0.96 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 28 A 8.63 3.89 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 29 I 8.51 4.68 1.77 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 1.04 0.80 0.85 0.00 0.00 30 L 8.99 4.69 0.00 1.67 1.51 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.66 5.32 0.00 2.63 2.54 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 0.00 0.00 0.00 0.00 32 L 9.19 5.12 0.00 1.56 1.52 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.42 5.04 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 1.38 0.00 0.00 34 L 9.35 5.18 0.00 1.88 2.00 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.89 4.57 0.75 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 0.00 0.00 36 G 6.42 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.81 4.73 0.00 1.87 1.76 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.73 4.97 0.00 2.32 2.57 0.00 0.00 6.83 7.08 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 0.00 130 Q 9.42 4.85 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.53 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 131 V 8.78 5.02 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 0.77 0.00 0.00 0.94 0.00 0.00 132 F 9.43 5.03 0.00 2.98 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 0.00 133 L 8.15 5.82 0.00 1.39 1.49 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *135 G 8.26 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 0.00 0.00 0.00 136 N 8.51 5.72 0.00 2.63 2.68 0.00 0.00 7.45 6.75 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 0.00 137 L 8.82 4.74 0.00 1.67 1.78 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.97 4.42 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 1.41 0.00 0.00 139 R 7.41 4.47 0.00 1.86 1.88 0.00 3.00 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 140 D 8.38 4.51 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.57 0.00 1.88 1.94 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 142 E 8.88 4.62 0.00 1.82 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 2.16 2.29 0.00 143 L 8.54 5.19 0.00 1.49 1.43 0.76 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.55 4.79 0.00 1.80 1.85 0.00 2.65 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.41 0.00 145 Y 8.36 5.24 0.00 2.85 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 0.00 146 T 8.93 4.29 4.36 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 1.43 0.00 0.00 147 P 0.00 4.37 0.00 2.10 2.20 0.00 3.74 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 2.16 0.00 148 Q 8.07 4.16 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 149 G 8.74 4.02 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 0.00 0.00 0.00 150 T 8.07 4.44 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 151 A 8.76 3.82 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 0.00 152 V 8.09 4.29 1.56 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 -0.22 0.00 0.00 0.30 0.00 0.00 153 A 8.78 5.07 1.11 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 0.00 154 R 8.94 4.92 0.00 1.59 1.72 0.00 2.95 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00 155 L 9.52 5.08 0.00 1.51 1.51 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.57 4.39 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 0.00 157 L 9.23 5.31 0.00 1.71 1.62 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 158 A 9.00 4.82 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 0.00 159 V 8.62 4.45 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 0.84 0.00 0.00 0.90 0.00 0.00 160 N 8.64 5.27 0.00 2.65 2.66 0.00 0.00 6.59 7.66 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 0.00 161 E 8.68 4.90 0.00 2.01 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 2.17 2.27 0.00 162 R 8.62 4.13 0.00 1.83 1.95 0.00 3.24 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 *168 E 8.50 4.24 0.00 1.94 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 2.16 2.47 0.00 169 R 8.25 4.80 0.00 1.75 1.94 0.00 2.76 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 170 T 8.28 4.80 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 0.46 0.00 0.00 171 H 8.95 4.81 0.00 2.92 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 F 7.67 4.98 0.00 1.84 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 0.00 173 V 9.03 4.52 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 0.93 0.00 0.00 174 E 8.82 4.84 0.00 1.95 1.85 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 2.40 2.26 0.00 175 V 9.00 4.84 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 0.93 0.00 0.00 0.92 0.00 0.00 176 Q 9.10 5.11 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 177 A 8.94 5.11 1.20 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 0.00 0.00 178 W 8.66 5.07 0.00 3.25 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 0.00 179 R 9.10 3.68 0.00 2.11 1.32 0.00 3.20 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 180 D 9.01 4.45 0.00 2.74 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 0.00 181 L 8.06 4.04 0.00 1.79 1.90 0.80 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 182 A 7.79 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 183 E 8.23 4.02 0.00 2.18 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 0.00 2.45 2.60 0.00 184 W 8.82 4.20 0.00 3.46 3.40 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 0.00 185 A 8.54 4.02 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.64 3.89 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 187 E 7.38 4.06 0.00 1.65 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 2.24 2.21 0.00 188 L 6.90 4.25 0.00 1.61 1.52 0.97 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.86 4.75 0.00 1.72 1.71 0.00 3.36 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 190 K 9.23 3.87 0.00 1.65 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.50 7.81 191 G 8.84 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 0.00 0.00 0.00 0.00 192 D 8.13 4.52 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 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 0.00 194 L 8.98 5.07 0.00 1.64 1.56 1.23 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 195 F 9.58 5.14 0.00 3.21 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.59 4.69 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 0.75 0.00 0.00 0.88 0.00 0.00 197 I 8.19 4.38 1.66 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.34 0.45 0.00 0.00 198 G 8.67 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 0.00 199 R 8.68 5.09 0.00 1.74 2.03 0.00 2.77 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 200 L 9.02 4.63 0.00 1.14 1.35 0.65 0.73 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 0.00 201 V 8.93 4.88 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 0.76 0.00 0.00 1.01 0.00 0.00 202 N 8.63 5.34 0.00 1.90 2.65 0.00 0.00 5.88 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 0.00 203 D 8.69 5.25 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 S 8.62 5.36 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 0.00 205 W 8.76 5.00 0.00 3.43 3.28 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 0.00 206 T 8.50 4.91 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 1.27 0.00 0.00 207 S 9.48 4.46 0.00 3.65 3.83 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 0.00 208 S 8.93 4.43 0.00 3.93 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 0.00 209 S 7.78 4.73 0.00 3.98 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 0.00 210 G 8.56 3.76 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 0.00 0.00 0.00 211 E 7.78 3.80 0.00 2.08 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 2.25 2.22 0.00 212 R 8.42 4.70 0.00 1.65 1.78 0.00 3.19 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 213 R 8.67 4.29 0.00 0.67 0.66 0.00 3.13 0.00 0.00 2.94 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.19 0.00 214 F 7.98 5.38 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 Q 8.65 4.84 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 216 T 8.59 5.05 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 217 R 9.15 4.73 0.00 1.66 1.96 0.00 3.05 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 218 V 8.46 4.74 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 1.00 0.00 0.00 0.89 0.00 0.00 219 E 9.09 5.03 0.00 2.13 1.83 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 2.31 2.46 0.00 220 A 8.89 4.48 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 0.00 221 L 9.04 4.63 0.00 1.51 1.63 0.85 0.76 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 0.00 222 R 7.58 4.64 0.00 1.79 1.65 0.00 3.17 0.00 0.00 3.54 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 223 L 8.12 5.37 0.00 0.97 1.44 1.10 0.85 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 0.00 224 E 9.32 4.67 0.00 2.07 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 2.40 2.44 0.00 225 R 8.82 5.14 0.00 2.09 2.05 0.00 3.21 0.00 0.00 3.32 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 226 P 0.00 4.60 0.00 2.17 2.10 0.00 4.05 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 227 T 8.16 4.61 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 1.25 0.00 0.00 228 R 8.27 4.05 0.00 1.81 1.89 0.00 3.28 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.