NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 P 4.3694 0.0000 0.0000 63.0443 32.3100 178.6687 23 T 4.0139 8.3682 117.9983 64.4011 67.3159 174.7339 24 I 3.6580 7.5814 122.1782 64.0235 37.4666 175.7569 25 P 4.6098 0.0000 0.0000 65.0885 31.4450 177.2727 26 Q 4.4009 7.6142 116.2244 55.6477 29.4024 175.8461 27 G 3.8330 7.6701 110.6533 43.7738 0.0000 171.3289 28 P 4.4890 0.0000 0.0000 61.8357 32.2712 175.6309 29 D 4.4996 8.1056 118.1488 53.3937 39.9559 175.1786 30 D 4.7322 8.4185 125.2973 54.4945 41.3029 177.0414 31 D 4.6475 8.2626 120.0018 54.1492 41.4422 175.5349 32 L 4.6398 8.2772 122.0911 52.2166 43.5759 175.1535 33 P 3.9148 0.0000 0.0000 61.1822 32.5947 175.4924 34 A 4.0699 8.4659 121.2800 51.0327 18.7386 175.3343 35 P 4.2698 0.0000 0.0000 64.3098 31.6207 177.6402 36 G 3.8159 8.7253 110.0311 45.6204 0.0000 173.0065 37 Q 4.5017 7.5286 118.1588 54.4517 31.0416 174.6682 38 Q 4.1903 7.9581 120.3527 54.3508 32.6751 174.0298 39 F 5.3807 8.1476 122.3842 56.7273 40.7514 174.9421 40 A 4.8721 8.7506 121.7006 50.8023 23.2722 175.2371 41 Q 4.8665 8.0305 117.6878 54.1699 33.0159 174.5404 42 F 5.4127 9.1128 121.6139 55.6572 43.7262 173.8412 43 G 4.6457 9.5290 110.0369 44.0859 0.0000 173.9908 44 A 4.8668 8.8660 129.2094 51.9637 20.0229 175.4055 45 G 3.9779 8.8620 106.3937 45.1917 0.0000 173.0455 46 C 3.9548 9.0061 119.5117 60.1866 31.7461 175.6764 47 F 4.7308 8.5998 122.3834 58.4024 37.4774 177.4720 48 W 4.6897 8.2086 120.0967 60.3533 29.1469 178.5461 49 G 3.7504 8.4505 105.2126 47.7066 0.0000 175.7455 50 V 3.6747 7.9772 120.1552 65.8222 31.6791 177.6103 51 E 4.1657 8.6467 119.2000 59.2650 29.0332 178.4498 52 L 4.2638 8.2456 121.0920 57.4952 41.8815 178.7001 53 A 3.8942 7.6409 119.5255 55.3762 18.6726 179.4253 54 F 4.3150 7.8470 115.9141 60.3362 38.7507 178.0982 55 Q 4.1528 8.3303 118.0066 58.6313 28.5048 178.0666 56 R 4.3324 7.6776 116.2695 55.7021 30.4648 176.1033 57 V 4.1521 7.2596 120.8340 61.2014 32.1008 173.5354 58 P 4.5255 0.0000 0.0000 63.9598 31.8300 176.1772 59 G 4.0776 9.1036 110.6768 45.4479 0.0000 173.3261 60 V 4.3215 7.5389 120.2197 62.7470 31.7685 175.5090 61 T 4.5113 8.5425 117.4172 62.2677 70.1277 174.6613 62 K 4.7708 7.7239 122.3362 55.6360 35.5909 174.1941 63 T 5.3175 8.2790 115.2967 60.4333 72.2452 172.6235 64 E 4.9990 8.5785 118.7687 55.8447 33.2288 174.6352 65 V 4.6802 8.5638 115.5697 60.5552 34.6480 175.8389 66 G 3.2414 8.3023 107.9447 46.0912 0.0000 171.2612 67 Y 5.5002 7.4456 117.1645 56.7496 41.4077 175.1345 68 T 4.7376 8.8578 115.4406 62.8098 71.3303 174.2009 69 Q 3.8464 9.1907 122.9870 55.7333 26.6343 174.2423 70 G 3.5930 7.5968 106.4923 44.3181 0.0000 173.2314 71 L 4.4945 7.9724 118.6547 55.0178 41.1193 175.6288 72 L 4.4800 7.4069 121.8361 53.4443 43.3062 175.2301 73 H 4.2175 8.5844 125.3949 56.6962 31.0550 174.4493 74 N 3.7807 7.6124 121.7561 53.5955 35.7786 172.4830 75 P 4.3836 0.0000 0.0000 62.5697 33.0614 176.4250 76 T 4.5501 8.3636 110.2888 59.7188 71.1055 175.0013 77 Y 4.0791 9.0539 123.3107 60.8185 38.9650 177.3109 78 E 3.9605 8.3125 117.9863 59.5178 29.9036 178.0535 79 D 4.3497 7.8105 117.7250 57.4793 41.1001 180.8827 80 V 3.5246 7.1678 121.0352 62.3071 30.3301 177.6285 *82 T 4.0294 8.0023 109.6206 59.8083 70.4847 174.7890 83 G 3.7804 8.0059 109.1923 46.1186 0.0000 173.9648 84 T 4.3691 7.5292 107.4210 61.3582 69.5242 175.3580 85 T 3.9624 7.6049 112.6613 61.8281 69.6335 175.7494 86 N 4.3669 8.2123 117.9608 53.9496 37.6926 173.3933 87 H 4.6930 7.9251 114.1585 56.3142 30.3747 173.7080 88 N 5.0427 9.2040 119.7163 51.7383 41.9157 173.4068 89 E 4.8688 8.6927 125.3299 56.4225 29.9872 176.5612 90 V 5.0061 9.2716 117.3235 59.7269 37.0495 174.4748 91 V 4.7569 8.9591 122.2922 61.3621 33.7128 174.1980 92 R 4.5651 8.9468 129.1273 54.7724 31.6133 174.8151 93 V 4.6687 8.7556 126.8493 61.2652 34.4325 174.0471 94 Q 5.3819 9.1282 126.5153 54.3554 31.2850 174.2771 95 Y 5.2229 8.6973 121.2478 55.3130 42.4432 174.0110 96 D 4.8273 9.0750 121.5286 52.4061 41.5070 175.3653 97 P 4.8508 0.0000 0.0000 64.4446 31.5569 178.0324 98 K 4.2388 8.3281 116.6847 57.8397 32.2981 177.4743 99 E 4.5708 8.0576 116.1887 56.4329 31.5763 175.6648 100 C 4.7670 8.6853 119.5764 57.4301 34.4921 173.3270 101 S 4.6537 8.5359 121.2902 57.3663 64.3317 174.8485 102 F 4.0055 8.9341 123.3936 61.5869 39.0094 177.1335 103 D 4.3005 8.2242 118.1586 57.6709 40.6583 178.7119 104 T 3.8166 7.7312 115.9448 66.5536 68.4584 176.7357 105 L 3.9701 7.3719 121.0352 57.7358 41.5869 179.6154 106 I 3.0806 7.2768 119.7789 64.1167 36.9310 178.1840 107 D 4.4394 8.1176 119.9967 57.3246 40.6756 178.9944 108 V 3.3772 7.4005 118.7488 65.5576 30.8678 177.8365 109 L 3.5998 7.1267 119.8909 57.9702 41.6620 179.1067 110 W 4.7012 7.4249 117.1296 59.6993 29.0294 177.9174 111 A 4.2380 7.9076 119.3624 53.9898 18.1285 178.8427 112 R 4.1817 7.6400 116.4103 57.5757 30.5040 175.0055 113 H 4.7993 7.7354 111.2407 54.2788 31.7795 171.9737 114 D 4.6057 8.4512 119.3477 52.3557 40.7733 173.3188 115 P 4.7120 0.0000 0.0000 63.1937 31.3632 177.2782 116 T 4.6075 8.3864 107.0458 61.0364 69.4611 173.9763 117 T 4.4090 7.6751 113.3218 59.9310 70.0516 173.8920 118 L 4.1689 8.5511 128.9048 55.5625 43.0449 175.9126 119 N 4.3140 8.8092 123.8926 53.7714 36.2907 173.7148 120 R 4.7686 7.6925 109.0726 56.0554 31.8395 173.9772 121 Q 4.3394 8.6508 121.2724 55.8218 32.4283 174.1992 122 G 3.7822 8.3788 115.9231 47.4881 0.0000 173.3883 123 N 4.6677 8.8845 122.4106 52.8098 38.7104 174.2161 124 D 4.2878 7.9030 120.5907 52.8892 40.5423 175.4980 125 V 4.5548 9.3275 124.5047 59.4475 33.4028 175.0030 126 G 4.5015 8.4559 118.9958 44.5602 0.0000 173.5511 127 T 4.2128 8.1460 110.6725 63.4801 69.1313 175.6371 128 Q 4.5049 7.6267 118.3900 56.1723 29.0562 176.0455 129 Y 4.7933 7.8334 115.7247 57.7585 38.9542 175.4803 130 R 4.4459 7.6784 116.4102 56.1179 30.7583 176.1237 131 S 4.7548 8.8188 115.9314 58.3851 63.8546 172.9650 132 G 4.2957 8.8070 111.5849 46.2224 0.0000 172.1516 133 I 4.7196 8.2763 122.8101 59.4091 39.0740 174.3131 134 Y 5.3864 8.4468 126.0692 55.5537 39.3999 174.9650 135 Y 4.6433 8.0899 123.2423 56.9629 39.4562 175.9011 136 Y 4.3820 8.9402 117.8550 58.7782 39.6771 176.1823 137 T 4.8275 7.5464 109.2221 58.6176 73.2289 172.8038 138 P 4.0999 0.0000 0.0000 65.3641 31.3329 178.6923 139 E 3.8849 8.0283 118.1370 59.3022 29.5568 178.7252 140 Q 3.6124 7.8432 118.2031 58.5006 28.6774 178.0869 141 E 3.5925 7.8317 120.3642 59.0370 29.5048 178.8434 142 K 3.8907 8.1506 119.5433 59.3939 32.2055 178.5149 143 A 4.0822 8.1826 120.8134 55.1690 18.3616 179.4118 144 A 4.1132 8.6557 119.6212 55.4702 18.5245 180.0504 145 K 4.0533 8.2722 116.9654 59.7635 32.2502 179.5576 146 E 4.3398 8.4650 120.3091 58.8544 29.2817 179.3345 147 S 4.2645 8.5637 113.5766 61.2177 62.4925 175.9237 148 L 3.8047 8.4354 123.2507 58.0910 41.7630 178.8084 149 E 3.9417 8.0699 118.1296 59.4411 29.1829 179.6019 150 R 3.9622 7.6009 116.4501 59.2991 30.3761 178.5966 151 Q 3.7852 8.0540 119.5897 58.9899 28.8510 177.8309 152 Q 3.7469 8.2135 121.0187 59.0543 28.8388 178.0881 153 K 4.0807 7.4896 117.3802 58.1425 32.2644 176.9732 154 L 4.4070 7.7676 117.2841 55.2443 42.7766 176.3520 155 L 4.7316 7.2268 117.9528 52.8886 43.8992 176.3651 156 N 4.4900 8.6076 118.8512 56.0161 39.0387 176.5935 157 R 4.2252 7.5589 115.0811 55.1130 30.8755 176.0652 158 K 4.2405 8.2856 121.6837 56.1357 32.9425 176.2495 159 I 4.2579 8.9410 127.9032 61.6499 37.3922 176.2516 160 V 4.3495 8.6299 118.0261 61.1860 32.3792 176.3864 161 T 4.3087 8.1434 118.1324 64.4480 69.0140 173.0765 162 E 4.5533 9.0897 124.4351 55.2553 31.9222 175.2719 163 I 4.9596 8.5199 124.0053 59.7975 38.6743 174.5110 164 L 5.0348 8.4502 125.9729 51.7078 46.3166 174.6049 165 P 3.3348 0.0000 0.0000 62.0070 31.8447 176.5309 166 A 3.9306 8.0686 125.9950 52.0771 18.9473 176.6996 167 K 4.5884 7.8494 119.0484 53.4926 36.6078 175.4026 168 K 3.5918 8.3882 121.6292 57.2610 32.3125 175.3062 169 F 4.6119 8.5379 129.3105 56.7190 40.7130 174.2056 170 Y 4.2971 7.9454 124.7909 55.8671 39.0619 175.1631 171 R 3.7338 8.2683 125.1212 56.3386 30.6633 176.2276 172 A 4.2319 8.2571 128.3059 50.9817 19.5989 177.0205 173 E 3.9404 8.6925 118.1827 56.5214 30.2727 178.3808 174 E 3.8695 8.9025 122.6276 59.4752 29.7588 178.5511 175 Y 4.3230 7.8586 115.1239 59.2486 38.1615 176.2991 176 H 4.5033 7.3804 116.8984 56.8582 29.4404 175.6527 177 Q 4.0205 7.7001 119.5005 57.0280 29.3381 176.0362 178 Q 3.4399 9.3768 122.3311 56.5774 27.5319 175.8113 179 Y 4.0481 8.1281 118.8432 61.0045 38.9920 176.7330 180 L 3.7694 7.8378 119.0699 57.5861 41.5717 179.2052 181 A 4.7277 7.7193 120.7286 54.3593 18.4800 179.1200 182 K 4.0984 7.4659 115.2422 57.7057 32.5861 176.6190 183 G 3.0997 9.2153 111.0712 43.7564 0.0000 175.0500 184 G 3.3055 6.7108 109.8686 44.6452 0.0000 173.3181 185 R 3.9547 7.7705 116.4991 57.9787 29.9548 177.7122 186 F 4.9066 7.3825 113.4643 57.1698 39.7840 176.3765 187 G 3.7758 8.1388 109.7340 44.8685 0.0000 173.8988 188 F 4.3594 7.9199 117.5219 56.4879 38.6553 175.3567 189 M 4.3322 8.5492 123.6372 55.5500 32.9027 175.8885 190 Q 4.7160 8.4730 121.4789 53.7998 31.5965 175.4405 191 S 4.3147 8.8348 118.2831 58.5579 63.0380 173.4048 192 A 4.6718 8.3347 128.1567 51.7133 19.7074 176.5248 193 E 4.0864 7.8673 117.6837 56.5926 30.0619 177.0084 194 K 4.1501 8.4896 122.2087 58.2495 32.4679 177.5988 195 G 3.9081 9.2055 111.8223 45.3667 0.0000 173.2254 196 C 4.2068 7.7818 120.5353 59.6622 31.8169 172.8810 197 N 4.9278 8.5292 123.1857 52.8571 38.9259 173.9028 198 D 4.3980 7.9854 118.5507 53.1925 41.7956 174.1807 199 P 4.1761 0.0000 0.0000 63.2805 31.7690 175.8206 200 I 4.1812 8.2697 124.0650 60.8980 36.5555 175.3360 201 R 4.5397 9.2497 124.8784 54.5938 31.4822 176.5470 202 C 3.4557 8.4505 121.3999 62.9420 28.1889 174.7222 203 Y 5.2879 8.6960 113.9493 56.9602 39.3434 176.3596 204 G 3.5126 7.3385 113.6949 46.1510 0.0000 172.2750 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 22 P 0.00 4.37 0.00 2.05 1.72 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 1.91 2.06 0.00 23 T 8.37 4.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 24 I 7.58 3.66 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.73 0.84 0.00 0.00 25 P 0.00 4.61 0.00 2.55 2.44 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 26 Q 7.61 4.40 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 27 G 7.67 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 0.00 0.00 0.00 28 P 0.00 4.49 0.00 2.14 2.03 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.92 0.00 29 D 8.11 4.50 0.00 2.71 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 30 D 8.42 4.73 0.00 2.71 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 31 D 8.26 4.65 0.00 2.97 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 32 L 8.28 4.64 0.00 1.54 1.51 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 3.91 0.00 1.48 0.49 0.00 3.48 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.26 0.00 34 A 8.47 4.07 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 35 P 0.00 4.27 0.00 1.99 1.96 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 36 G 8.73 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.53 4.50 0.00 1.76 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 38 Q 7.96 4.19 0.00 1.63 0.88 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 2.06 2.11 0.00 39 F 8.15 5.38 0.00 1.79 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.75 4.87 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 41 Q 8.03 4.87 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.10 2.48 0.00 42 F 9.11 5.41 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 9.53 4.65 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 0.00 44 A 8.87 4.87 1.10 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 45 G 8.86 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 9.01 3.95 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 47 F 8.60 4.73 0.00 3.32 3.39 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 48 W 8.21 4.69 0.00 3.83 3.36 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 49 G 8.45 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 0.00 0.00 0.00 50 V 7.98 3.67 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 1.34 0.00 0.00 1.09 0.00 0.00 51 E 8.65 4.17 0.00 2.26 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 0.00 2.54 2.43 0.00 52 L 8.25 4.26 0.00 1.87 1.85 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.64 3.89 1.04 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 0.00 0.00 0.00 0.00 0.00 54 F 7.85 4.32 0.00 3.12 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 55 Q 8.33 4.15 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.72 0.00 56 R 7.68 4.33 0.00 1.99 1.94 0.00 3.08 0.00 0.00 3.32 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 57 V 7.26 4.15 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 0.99 0.00 0.00 0.93 0.00 0.00 58 P 0.00 4.53 0.00 2.10 1.99 0.00 3.70 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 2.03 2.09 0.00 59 G 9.10 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 0.00 0.00 0.00 60 V 7.54 4.32 2.32 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 1.00 0.00 0.00 1.11 0.00 0.00 61 T 8.54 4.51 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 62 K 7.72 4.77 0.00 1.83 1.66 0.00 1.68 0.00 0.00 1.93 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 63 T 8.28 5.32 4.32 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 1.32 0.00 0.00 64 E 8.58 5.00 0.00 2.02 2.05 0.00 0.00 0.00 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8.00 4.03 4.16 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 0.00 0.00 0.00 1.22 0.00 0.00 83 G 8.01 3.78 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 0.00 0.00 0.00 84 T 7.53 4.37 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 85 T 7.60 3.96 4.14 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 0.00 0.00 0.00 1.12 0.00 0.00 86 N 8.21 4.37 0.00 2.79 2.88 0.00 0.00 7.03 7.89 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 87 H 7.93 4.69 0.00 3.05 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 9.20 5.04 0.00 2.80 2.65 0.00 0.00 7.43 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 89 E 8.69 4.87 0.00 1.90 1.54 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 1.93 2.07 0.00 90 V 9.27 5.01 2.41 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.46 1.38 7.81 99 E 8.06 4.57 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 2.23 2.27 0.00 100 C 8.69 4.77 0.00 3.12 2.90 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 0.00 101 S 8.54 4.65 0.00 4.14 4.04 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 0.00 0.00 0.00 102 F 8.93 4.01 0.00 3.20 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.22 4.30 0.00 2.77 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 0.00 104 T 7.73 3.82 4.38 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 1.18 0.00 0.00 105 L 7.37 3.97 0.00 1.47 1.49 0.30 0.80 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 0.00 106 I 7.28 3.08 1.77 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 0.96 0.20 0.45 0.00 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2.55 0.00 3.68 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 116 T 8.39 4.61 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 1.18 0.00 0.00 117 T 7.68 4.41 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 1.23 0.00 0.00 118 L 8.55 4.17 0.00 1.65 1.65 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.81 4.31 0.00 2.97 2.90 0.00 0.00 6.73 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 0.00 120 R 7.69 4.77 0.00 1.97 1.89 0.00 3.05 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 121 Q 8.65 4.34 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.73 0.00 0.00 0.00 0.00 0.00 2.60 2.39 0.00 122 G 8.38 3.78 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 0.00 0.00 0.00 123 N 8.88 4.67 0.00 2.78 2.86 0.00 0.00 6.72 8.06 0.00 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0.00 140 Q 7.84 3.61 0.00 2.13 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.94 0.00 141 E 7.83 3.59 0.00 1.16 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 2.03 1.91 0.00 142 K 8.15 3.89 0.00 1.81 1.77 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 143 A 8.18 4.08 1.69 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 0.00 144 A 8.66 4.11 1.61 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 0.00 0.00 145 K 8.27 4.05 0.00 1.99 1.92 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.70 7.81 146 E 8.47 4.34 0.00 2.09 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 0.00 2.36 2.40 0.00 147 S 8.56 4.26 0.00 4.14 4.30 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 0.00 148 L 8.44 3.80 0.00 2.21 1.95 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.07 3.94 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 150 R 7.60 3.96 0.00 1.97 1.97 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 151 Q 8.05 3.79 0.00 1.25 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 152 Q 8.21 3.75 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 153 K 7.49 4.08 0.00 1.78 1.89 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 154 L 7.77 4.41 0.00 1.67 1.62 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.23 4.73 0.00 1.53 1.49 0.75 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.61 4.49 0.00 2.69 2.84 0.00 0.00 7.01 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 0.00 157 R 7.56 4.23 0.00 1.78 1.84 0.00 3.20 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 158 K 8.29 4.24 0.00 1.77 1.66 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.45 7.81 159 I 8.94 4.26 1.80 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.60 1.01 0.00 0.00 160 V 8.63 4.35 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 0.74 0.00 0.00 0.99 0.00 0.00 161 T 8.14 4.31 4.54 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 1.37 0.00 0.00 162 E 9.09 4.55 0.00 2.14 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 0.00 2.57 2.34 0.00 163 I 8.52 4.96 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 1.47 0.78 1.15 0.00 0.00 164 L 8.45 5.03 0.00 1.80 1.54 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 3.33 0.00 1.71 1.69 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 166 A 8.07 3.93 0.40 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 0.00 0.00 167 K 7.85 4.59 0.00 1.45 1.73 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.40 7.81 168 K 8.39 3.59 0.00 1.65 1.66 0.00 1.41 0.00 0.00 1.47 0.00 0.00 2.69 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.05 0.44 7.81 169 F 8.54 4.61 0.00 2.84 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 0.00 170 Y 7.95 4.30 0.00 2.94 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 0.00 171 R 8.27 3.73 0.00 1.89 1.82 0.00 3.43 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 172 A 8.26 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.69 3.94 0.00 1.40 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 2.59 2.45 0.00 174 E 8.90 3.87 0.00 2.05 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 2.40 2.40 0.00 175 Y 7.86 4.32 0.00 3.02 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 0.00 176 H 7.38 4.50 0.00 2.98 3.07 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 Q 7.70 4.02 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 178 Q 9.38 3.44 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 179 Y 8.13 4.05 0.00 2.84 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 7.84 3.77 0.00 1.73 1.67 1.16 1.02 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 0.00 181 A 7.72 4.73 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 0.00 182 K 7.47 4.10 0.00 1.80 1.78 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.60 7.81 183 G 9.22 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 0.00 0.00 0.00 184 G 6.71 3.31 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 0.00 185 R 7.77 3.95 0.00 0.95 1.36 0.00 3.20 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 186 F 7.38 4.91 0.00 3.39 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 8.14 3.78 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 0.00 0.00 0.00 188 F 7.92 4.36 0.00 3.03 3.13 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 0.00 189 M 8.55 4.33 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.68 0.00 190 Q 8.47 4.72 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 191 S 8.83 4.31 0.00 3.83 3.77 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 0.00 192 A 8.33 4.67 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 0.00 193 E 7.87 4.09 0.00 2.08 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 2.33 2.29 0.00 194 K 8.49 4.15 0.00 1.75 1.77 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.41 7.81 195 G 9.21 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 0.00 0.00 0.00 196 C 7.78 4.21 0.00 3.11 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 0.00 197 N 8.53 4.93 0.00 2.70 2.75 0.00 0.00 7.05 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 0.00 198 D 7.99 4.40 0.00 2.61 2.57 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 0.00 199 P 0.00 4.18 0.00 2.06 2.00 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 200 I 8.27 4.18 1.86 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 1.41 0.45 0.93 0.00 0.00 201 R 9.25 4.54 0.00 1.95 1.94 0.00 3.19 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 202 C 8.45 3.46 0.00 2.20 1.60 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 0.00 203 Y 8.70 5.29 0.00 3.22 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 G 7.34 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.