NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 S 4.7520 8.1927 115.5625 57.5919 66.0690 172.9251 12 V 4.7968 7.8009 119.0534 60.3972 34.0699 174.5608 13 F 4.6634 10.0318 126.7538 55.7944 42.1332 173.2569 14 D 5.0143 8.6280 124.9497 53.2702 41.6940 176.7450 15 I 3.7700 8.6467 128.4195 64.7499 36.9968 178.2733 16 F 4.2637 8.0549 116.3753 60.7936 38.6705 176.8749 17 E 4.1880 8.8444 118.7368 59.4035 29.2253 178.8909 18 L 4.2485 7.9049 118.2727 57.5176 41.8253 178.9745 19 T 4.1103 7.9240 108.6443 63.1984 69.1431 173.3506 20 G 3.7003 7.6295 105.0803 43.8923 0.0000 172.7814 21 A 4.1200 8.2392 121.1481 52.0118 19.1559 178.7941 22 A 4.2506 8.2238 126.2458 51.2292 16.9528 177.2534 23 R 4.2010 7.5410 122.4831 54.3323 31.5638 176.4563 24 K 4.0206 8.3892 120.9922 58.0597 32.2872 176.6005 25 G 3.8278 8.8594 115.2497 46.9443 0.0000 173.7664 26 S 4.4488 8.0492 112.9042 57.6346 63.7784 175.4834 27 G 4.0901 9.3199 110.7400 45.1298 0.0000 172.8249 28 R 5.1661 7.2403 114.1020 54.5892 33.1824 174.4619 29 R 4.6840 8.8393 120.2343 54.1441 33.0245 174.3459 30 L 4.4401 8.7826 128.9040 55.7944 42.7313 176.3052 31 V 4.4238 8.1747 118.8658 60.6321 35.5888 174.3054 32 K 4.4147 8.7766 119.9716 55.6944 33.5478 175.7557 33 G 3.6653 7.8630 109.8823 42.3952 0.0000 170.6119 34 P 3.8048 0.0000 0.0000 65.0626 30.9006 175.8841 35 D 4.4789 8.0089 119.6959 51.8862 40.3820 174.8893 36 P 4.3408 0.0000 0.0000 64.7277 31.6457 177.1700 37 S 4.7193 7.8944 113.2514 57.5088 63.2533 173.6439 38 S 4.5723 7.3298 112.5770 56.6385 65.3492 172.0064 39 P 4.0854 0.0000 0.0000 62.5343 31.9459 175.2605 40 A 4.7039 7.6713 121.3348 50.1263 22.8680 175.0811 41 F 5.1472 8.7872 117.9596 55.6997 43.0893 174.1178 42 R 4.7208 9.2220 125.8724 55.7669 31.2538 175.3674 43 I 4.2802 8.8050 128.5928 61.7114 36.9931 175.4049 44 E 4.3967 8.8969 126.5614 57.9586 31.5759 176.1580 45 D 4.4088 8.6265 118.6223 53.0784 42.8400 174.9251 46 A 4.0702 8.6135 129.8724 55.0108 18.6772 179.6712 47 N 4.4245 7.8912 111.9205 56.1021 38.6688 176.3407 48 L 4.2093 7.8977 116.9262 56.2049 42.1435 177.2535 49 I 4.1468 7.5876 119.9967 59.6620 37.2043 174.3378 50 P 4.4045 0.0000 0.0000 61.9060 31.7986 174.3434 51 P 4.5800 0.0000 0.0000 62.3684 32.3885 176.0514 52 V 3.7742 8.0584 121.6145 62.3624 32.1952 174.1883 53 P 4.3457 0.0000 0.0000 63.1248 32.2274 176.6472 54 D 4.5406 9.2659 124.2827 57.9471 40.6025 179.2567 55 D 4.4252 8.1575 118.6599 56.6744 38.9620 178.6256 56 K 4.2597 8.1124 119.3641 58.9115 32.0581 179.0186 57 F 4.4931 8.4786 121.3447 61.2315 39.2074 176.8771 58 Q 3.6693 8.2329 119.3257 59.2063 28.7116 178.1916 59 D 4.3102 7.7856 118.5193 57.1329 40.8259 178.4684 60 L 2.9488 7.0999 119.4330 57.7048 41.9652 179.0204 61 V 3.3991 7.2479 118.2245 66.2056 31.3945 177.6431 62 D 4.1917 8.0056 118.3482 57.2432 40.5855 178.7638 63 A 3.5167 7.6418 121.2172 54.8166 18.1541 179.8557 64 V 3.7695 7.3394 118.3774 65.7012 31.2827 178.4447 65 R 3.8703 7.8158 116.9419 59.5272 29.8967 178.9402 66 T 4.0095 7.5007 114.8060 66.2690 68.6554 176.0242 67 E 4.1939 8.1632 118.6839 55.8343 30.2062 176.1292 68 K 3.8566 8.2205 117.4282 55.6120 30.7043 175.9051 69 G 3.5549 7.2610 106.3277 46.7985 0.0000 171.2304 70 F 4.8647 7.3993 116.6415 56.6111 42.1114 172.8590 71 L 5.3505 8.0727 120.1286 53.3263 44.7017 174.4932 72 L 4.8761 9.4742 129.1688 53.2610 44.3703 174.8334 73 L 5.3009 8.7403 126.1438 53.2505 44.8836 175.3980 74 A 4.9811 8.5099 121.6583 51.1559 23.4189 175.2151 75 S 5.4789 8.9734 118.2397 56.6752 65.8407 173.3926 76 L 5.2173 9.5346 124.3795 54.1889 44.4686 175.4061 77 R 4.5303 8.6212 121.7081 52.6222 31.7328 174.3538 78 Q 4.8420 8.2779 129.3392 55.1477 30.5179 177.1488 *80 K 4.2989 8.5070 114.9991 56.4676 33.7169 174.8813 81 K 4.0054 8.9638 121.0976 56.8549 29.9533 175.0422 82 T 4.6718 7.0890 103.5984 59.9118 72.3715 172.9628 83 R 4.8327 8.4557 122.1604 54.9319 32.0538 175.4148 84 G 4.1750 8.8132 111.9487 44.3977 0.0000 171.7987 85 T 4.5238 9.2316 123.9353 63.8748 69.2798 175.6143 86 L 3.9770 9.2634 127.6060 57.2233 42.9463 176.9300 87 L 5.1371 7.5647 116.1518 53.6231 46.4742 174.6199 88 A 4.8537 8.7901 121.7388 50.8580 23.4262 175.6368 89 L 4.9195 9.0814 121.6916 53.1037 43.3483 175.2572 90 E 4.9013 8.5425 123.0703 54.7013 31.8315 176.1830 91 R 4.4254 8.9735 122.1017 56.1186 30.8227 178.2773 92 K 3.8833 8.8820 122.7869 59.2140 32.1933 177.9615 93 D 4.4441 7.9239 115.7247 53.5501 38.5100 176.5411 94 H 4.2026 8.0137 117.0342 56.4427 26.9226 176.7226 95 S 4.2899 8.6376 115.4834 59.0226 63.4979 174.8074 96 G 3.8564 6.1088 104.9812 45.5726 0.0000 170.6462 97 Q 5.0036 7.9469 118.0349 54.2651 31.0639 176.5732 98 V 4.1475 8.6051 120.9130 63.0813 33.3387 175.3612 99 F 6.0229 8.1066 121.4912 58.5031 42.7435 172.6636 100 S 4.5465 7.3613 116.5158 57.2729 66.2317 173.7058 101 V 4.6354 8.3040 121.3814 61.2611 34.1390 174.2456 102 V 4.7048 8.7988 128.8988 61.0783 34.4043 174.5421 103 S 4.6569 9.1106 123.7873 57.6871 62.8878 172.4058 104 N 4.9639 9.2638 128.3581 52.4976 38.3250 175.4623 105 G 3.6926 9.0646 114.7294 48.2450 0.0000 174.1980 106 K 4.1621 8.3673 119.2928 58.5106 32.3975 177.5976 107 A 4.3606 8.5347 119.8888 51.2984 20.2824 176.4562 108 G 3.7994 8.3606 103.9299 46.3986 0.0000 172.5844 109 T 5.1414 7.9981 107.5975 59.9307 73.7211 172.8930 110 L 4.9879 8.5452 123.5912 53.5314 44.3212 174.5797 111 D 5.2625 9.4015 127.4581 53.1394 42.9406 175.6170 112 L 5.1669 9.2300 123.5845 53.2458 44.4723 175.4654 113 S 5.3191 8.8264 120.6059 56.6816 65.7560 173.4737 114 L 5.4922 9.3624 123.8831 53.3312 45.7270 175.5243 115 T 4.9886 9.0833 120.4186 61.8346 70.9761 173.9536 116 V 4.2973 8.3553 126.1143 62.1086 34.1201 175.4017 117 Q 3.3863 9.8406 124.9480 56.9676 25.9982 174.7189 118 G 3.9897 8.5810 107.7103 45.1408 0.0000 174.3783 119 K 4.2426 7.7765 120.1270 55.1436 32.9468 175.3213 120 Q 4.8649 8.4880 125.2154 54.9450 30.3021 173.8761 121 H 5.0226 9.5988 123.2214 53.9940 31.3999 173.3791 122 V 4.9261 8.5076 122.6680 61.0418 34.1901 174.6521 123 V 4.5434 8.9207 127.0440 61.2367 34.9073 173.9864 124 S 5.2096 8.6917 122.9323 57.0102 64.9930 173.8157 125 V 4.0712 8.8108 125.6098 61.5870 32.0730 175.4046 126 E 4.3770 8.7855 127.5909 55.5212 30.5223 176.4002 127 E 3.7440 8.5362 117.5624 57.7621 27.2851 176.7786 128 A 4.5667 7.7733 118.3433 50.2609 19.3351 175.0591 129 L 4.4035 7.8158 121.4836 53.3422 42.8745 176.0779 130 L 4.6067 8.5142 124.6034 54.6002 43.3327 177.4252 131 A 4.4271 7.5737 124.2667 50.5311 17.5561 175.7979 132 T 4.6881 7.4036 111.1350 58.8087 72.1809 176.3457 133 G 3.6783 8.7497 109.8082 46.9561 0.0000 172.5073 134 Q 4.7060 7.8448 118.9595 53.0816 32.7742 174.7098 135 W 4.6600 8.7184 120.4228 56.9827 29.6361 176.3402 136 K 4.9279 9.4858 123.1371 54.6787 36.5103 175.0681 137 S 5.3531 9.2270 116.5967 56.5614 65.8371 172.8074 138 I 5.1771 9.2045 119.8608 59.4942 41.3018 174.7933 139 T 4.6476 8.9757 119.6974 62.0739 71.9399 172.7890 140 L 4.9698 9.4071 130.7388 53.4918 43.9928 174.8996 141 F 5.5060 9.5430 130.7805 56.7767 41.2626 174.3879 142 V 4.4448 8.0603 126.7669 60.8349 34.1796 174.1508 143 Q 4.4296 8.1645 128.5355 54.4326 32.6988 173.8306 144 E 3.9893 9.4066 129.0418 57.8015 30.0141 174.6252 145 D 5.0418 8.7913 114.6543 52.8284 40.8254 173.6753 146 R 4.8873 8.2875 118.9774 54.8217 32.6588 174.8680 147 A 5.0447 8.9242 125.5401 50.1276 22.3376 174.9262 148 Q 4.8489 9.2692 120.7367 53.9242 32.5041 174.1121 149 L 5.2057 9.0415 126.7037 53.3656 44.8466 175.0502 150 Y 4.7212 8.8883 122.7856 56.3069 41.6144 174.4263 151 I 4.6808 8.5270 125.2620 60.7466 39.2596 177.2960 152 D 4.5401 9.6979 131.3750 55.6878 39.7597 175.1744 153 C 4.9076 9.0992 120.6820 60.3386 29.4957 173.5241 154 E 4.6389 8.0797 120.1581 54.7953 32.0371 179.5532 155 K 4.4063 7.9923 119.1712 56.3313 31.4697 178.3683 *157 E 4.1507 8.6438 126.0672 57.3409 30.7693 173.7837 158 N 5.6222 8.4254 119.1374 51.8565 42.6576 173.3602 159 A 4.5717 8.4857 119.6267 51.2583 23.2567 175.0525 160 E 4.9969 8.6961 119.8053 54.6200 31.5662 176.1033 161 L 4.4893 8.8550 124.7077 54.1670 42.5863 177.1259 162 D 4.5065 8.7036 120.1788 56.2383 41.3095 176.9445 163 V 4.5288 7.1463 110.6090 58.5840 35.9685 172.9423 164 P 4.4937 0.0000 0.0000 62.3560 32.2916 177.3408 165 I 3.7161 8.8141 120.8993 64.2658 37.9386 178.2427 166 Q 4.2031 8.0176 117.5562 58.5894 28.2299 178.1197 167 S 4.1653 7.8106 115.1161 61.1825 62.4028 175.7923 168 V 3.7802 7.5943 120.2606 65.0938 32.7766 177.0385 169 F 4.2888 7.5735 116.8804 56.7048 37.2301 174.7105 170 T 4.1284 7.3288 117.9982 61.4923 68.7032 175.0425 171 R 3.8789 8.6456 123.6551 59.4571 30.2410 178.1905 172 D 4.8505 7.8185 115.9575 54.3392 41.5505 178.5179 173 L 3.9303 7.8328 123.2414 58.2897 41.8544 178.1509 174 A 4.5774 7.9559 118.3285 53.9847 18.4757 178.3084 175 S 4.5916 7.7831 111.5051 58.5520 64.0370 174.3759 176 I 4.6632 7.5166 113.8016 60.4090 39.4498 174.4661 177 A 5.3034 8.5100 123.6625 50.5589 22.8319 175.4167 178 R 4.3002 8.6713 114.5696 54.2161 33.5709 174.0644 179 L 4.4212 7.6110 123.4634 54.6189 43.4831 175.4065 180 R 4.9500 9.0011 125.3451 54.3075 33.7065 174.3869 181 I 4.6512 8.1094 121.8245 60.1467 40.7047 176.0993 182 A 4.3768 8.8664 128.5069 51.9508 17.4263 176.7648 183 K 5.1547 7.2499 116.4575 53.5187 35.3103 174.2614 184 G 4.5375 7.7473 116.9417 42.9115 0.0000 173.7572 185 G 3.8222 8.7218 116.0364 44.9425 0.0000 173.5882 186 V 3.4995 8.4214 118.4698 66.0905 31.1043 176.5625 187 N 4.8108 8.0546 112.6947 53.4263 38.7737 174.7656 188 D 5.3016 7.7708 117.5883 53.4384 41.9070 175.8989 189 N 4.8884 8.1420 117.0683 53.0018 39.8120 174.2959 190 F 4.2510 9.2434 126.5841 58.5560 39.8941 174.5304 191 Q 4.4007 9.3358 125.0883 56.6061 30.1913 173.5156 192 G 4.1729 7.4662 115.1840 44.9807 0.0000 170.6008 193 V 5.0398 8.7051 123.4195 61.1223 34.8778 175.4746 194 L 5.5138 8.8990 125.7068 53.4746 46.0067 175.2442 195 Q 4.7648 9.4181 120.8127 55.7810 32.8986 173.9559 196 N 4.2924 8.8086 122.8325 54.4321 36.2955 175.7990 197 V 4.1576 7.5153 117.9008 62.5163 32.8823 175.5998 198 R 5.2437 9.0953 126.9796 54.5622 35.1976 174.2331 199 F 4.9644 9.2344 120.8034 55.9112 41.2855 174.9244 200 V 4.9110 8.7323 124.1940 61.0891 33.9392 174.3481 201 F 5.2041 9.4062 126.0579 56.4118 42.3643 175.3787 202 G 4.0016 9.5057 108.5068 46.4926 0.0000 173.4039 203 T 4.7273 7.6818 114.1734 60.9942 72.7223 173.4543 204 T 4.3162 7.8092 112.5592 58.9224 72.8766 173.3655 205 P 4.0891 0.0000 0.0000 65.5398 31.0636 178.5802 206 E 3.7125 7.7787 118.3057 59.5271 29.4974 178.7447 207 D 4.3037 7.6581 118.8174 57.5001 40.7465 179.0364 208 I 3.7176 7.4612 120.1990 64.2047 37.0812 178.5298 209 L 3.9160 7.7826 120.0615 57.5884 41.2902 179.8025 210 R 3.8827 7.6670 118.1434 59.3243 29.9125 178.7816 211 N 4.3418 7.8764 114.5064 55.5839 38.5395 176.8129 212 K 4.2375 7.3704 118.7798 56.5278 32.5430 177.5434 213 G 4.0136 7.9099 106.1017 45.3337 0.0000 173.7149 214 C 4.4000 7.4305 117.5863 58.9264 29.3125 173.9036 215 S 4.6609 8.7500 114.1889 58.4022 61.9810 173.1793 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 11 S 8.19 4.75 0.00 4.02 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 12 V 7.80 4.80 2.09 0.00 0.00 0.00 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 0.98 0.00 0.00 13 F 10.03 4.66 0.00 3.27 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 14 D 8.63 5.01 0.00 2.81 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 15 I 8.65 3.77 1.66 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.07 0.81 0.00 0.00 16 F 8.05 4.26 0.00 3.35 3.04 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 17 E 8.84 4.19 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 18 L 7.90 4.25 0.00 1.91 1.82 1.25 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.92 4.11 4.35 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 1.26 0.00 0.00 20 G 7.63 3.70 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 0.00 0.00 0.00 21 A 8.24 4.12 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 22 A 8.22 4.25 1.19 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 23 R 7.54 4.20 0.00 1.89 1.88 0.00 3.14 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 24 K 8.39 4.02 0.00 1.72 1.74 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 G 8.86 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 26 S 8.05 4.45 0.00 3.94 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 0.00 27 G 9.32 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.24 5.17 0.00 1.87 1.87 0.00 2.21 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 29 R 8.84 4.68 0.00 2.00 1.83 0.00 3.21 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 30 L 8.78 4.44 0.00 1.77 1.58 0.57 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.17 4.42 2.12 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 0.75 0.00 0.00 1.04 0.00 0.00 32 K 8.78 4.41 0.00 1.75 1.67 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.40 7.81 33 G 7.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 3.80 0.00 1.92 1.79 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.35 0.00 35 D 8.01 4.48 0.00 2.58 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 36 P 0.00 4.34 0.00 2.15 2.09 0.00 3.71 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 1.92 1.88 0.00 37 S 7.89 4.72 0.00 3.97 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 38 S 7.33 4.57 0.00 3.80 3.63 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 0.00 39 P 0.00 4.09 0.00 1.59 1.86 0.00 3.73 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 1.97 2.00 0.00 40 A 7.67 4.70 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 41 F 8.79 5.15 0.00 2.43 2.63 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 0.00 42 R 9.22 4.72 0.00 1.93 1.86 0.00 3.12 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 43 I 8.81 4.28 2.16 0.00 0.00 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 1.66 1.24 1.07 0.00 0.00 44 E 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0.00 2.82 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.00 78 Q 8.28 4.84 0.00 2.18 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.29 0.00 0.00 0.00 0.00 0.00 1.94 1.43 0.00 *80 K 8.51 4.30 0.00 1.73 1.71 0.00 2.12 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.28 7.81 81 K 8.96 4.01 0.00 1.85 1.85 0.00 1.71 0.00 0.00 2.39 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 82 T 7.09 4.67 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 1.15 0.00 0.00 83 R 8.46 4.83 0.00 1.86 1.89 0.00 3.05 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 84 G 8.81 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 85 T 9.23 4.52 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 1.25 0.00 0.00 86 L 9.26 3.98 0.00 1.59 1.56 0.91 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.40 1.36 7.81 120 Q 8.49 4.86 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 121 H 9.60 5.02 0.00 3.16 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.51 4.93 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 0.80 0.00 0.00 0.95 0.00 0.00 123 V 8.92 4.54 2.12 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 0.87 0.00 0.00 1.03 0.00 0.00 124 S 8.69 5.21 0.00 3.79 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 0.00 125 V 8.81 4.07 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 0.93 0.00 0.00 0.98 0.00 0.00 126 E 8.79 4.38 0.00 1.89 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 2.31 2.34 0.00 127 E 8.54 3.74 0.00 2.05 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 2.23 2.23 0.00 128 A 7.77 4.57 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 0.00 129 L 7.82 4.40 0.00 1.62 1.60 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.51 4.61 0.00 1.70 1.72 0.98 0.90 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 0.00 131 A 7.57 4.43 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.40 4.69 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 1.21 0.00 0.00 133 G 8.75 3.68 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 0.00 0.00 0.00 134 Q 7.84 4.71 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 135 W 8.72 4.66 0.00 3.20 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 0.00 136 K 9.49 4.93 0.00 1.75 1.73 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 137 S 9.23 5.35 0.00 3.94 3.81 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 0.00 138 I 9.20 5.18 1.95 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 1.42 0.63 0.98 0.00 0.00 139 T 8.98 4.65 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 1.26 0.00 0.00 140 L 9.41 4.97 0.00 1.82 1.72 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 141 F 9.54 5.51 0.00 3.16 3.04 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 0.00 142 V 8.06 4.44 0.76 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 0.53 0.00 0.00 0.75 0.00 0.00 143 Q 8.16 4.43 0.00 1.31 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 5.56 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 144 E 9.41 3.99 0.00 2.12 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 2.16 2.23 0.00 145 D 8.79 5.04 0.00 2.87 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 0.00 146 R 8.29 4.89 0.00 1.73 1.78 0.00 3.04 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 1.51 1.49 0.00 147 A 8.92 5.04 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 9.27 4.85 0.00 2.12 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 149 L 9.04 5.21 0.00 1.55 1.45 0.99 0.70 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 0.00 150 Y 8.89 4.72 0.00 3.00 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 0.00 151 I 8.53 4.68 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.06 0.97 0.00 0.00 152 D 9.70 4.54 0.00 2.83 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 0.00 0.00 0.00 0.00 153 C 9.10 4.91 0.00 2.93 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 0.00 154 E 8.08 4.64 0.00 2.10 1.95 0.00 0.00 0.00 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 0.00 155 K 7.99 4.41 0.00 1.75 1.30 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.49 7.81 *157 E 8.64 4.15 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 158 N 8.43 5.62 0.00 2.50 2.64 0.00 0.00 6.77 7.35 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 0.00 159 A 8.49 4.57 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 0.00 160 E 8.70 5.00 0.00 1.83 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 2.19 2.29 0.00 161 L 8.85 4.49 0.00 1.53 1.64 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.70 4.51 0.00 2.57 2.50 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 0.00 163 V 7.15 4.53 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 0.63 0.00 0.00 0.91 0.00 0.00 164 P 0.00 4.49 0.00 2.39 2.14 0.00 3.68 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 2.06 1.93 0.00 165 I 8.81 3.72 1.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.77 0.00 0.00 166 Q 8.02 4.20 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 167 S 7.81 4.17 0.00 3.91 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 7.59 3.78 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 0.68 0.00 0.00 0.95 0.00 0.00 169 F 7.57 4.29 0.00 3.08 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 0.00 170 T 7.33 4.13 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 1.21 0.00 0.00 171 R 8.65 3.88 0.00 1.82 1.96 0.00 3.23 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 172 D 7.82 4.85 0.00 2.69 2.65 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 0.00 173 L 7.83 3.93 0.00 1.83 1.57 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 174 A 7.96 4.58 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 0.00 175 S 7.78 4.59 0.00 4.06 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 0.00 176 I 7.52 4.66 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.91 0.00 0.00 177 A 8.51 5.30 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 178 R 8.67 4.30 0.00 1.67 1.87 0.00 2.71 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 179 L 7.61 4.42 0.00 0.91 1.16 1.01 0.99 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 0.00 180 R 9.00 4.95 0.00 1.63 1.71 0.00 3.25 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 181 I 8.11 4.65 1.58 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.37 0.70 0.00 0.00 182 A 8.87 4.38 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 0.00 183 K 7.25 5.15 0.00 1.64 1.65 0.00 1.66 0.00 0.00 1.55 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.45 7.81 184 G 7.75 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 0.00 0.00 0.00 0.00 185 G 8.72 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 0.00 186 V 8.42 3.50 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 0.82 0.00 0.00 0.92 0.00 0.00 187 N 8.05 4.81 0.00 2.73 2.79 0.00 0.00 6.79 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 0.00 188 D 7.77 5.30 0.00 2.69 2.64 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 0.00 189 N 8.14 4.89 0.00 2.74 2.78 0.00 0.00 6.66 8.13 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 0.00 190 F 9.24 4.25 0.00 3.22 3.01 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 0.00 191 Q 9.34 4.40 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 192 G 7.47 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 0.00 193 V 8.71 5.04 1.74 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 1.37 0.00 0.00 0.92 0.00 0.00 194 L 8.90 5.51 0.00 2.06 1.80 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 195 Q 9.42 4.76 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.27 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 196 N 8.81 4.29 0.00 2.90 2.86 0.00 0.00 6.97 7.68 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 0.00 197 V 7.52 4.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.86 0.00 0.00 198 R 9.10 5.24 0.00 1.71 1.80 0.00 3.18 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 199 F 9.23 4.96 0.00 3.14 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 8.73 4.91 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 1.01 0.00 0.00 0.94 0.00 0.00 201 F 9.41 5.20 0.00 3.02 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 0.00 202 G 9.51 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 0.00 203 T 7.68 4.73 4.22 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 0.00 0.00 0.00 1.17 0.00 0.00 204 T 7.81 4.32 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 1.10 0.00 0.00 205 P 0.00 4.09 0.00 1.87 2.27 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 206 E 7.78 3.71 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 207 D 7.66 4.30 0.00 2.55 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 0.00 208 I 7.46 3.72 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.86 0.00 0.00 209 L 7.78 3.92 0.00 1.70 1.58 0.26 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 210 R 7.67 3.88 0.00 1.90 1.93 0.00 3.08 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 211 N 7.88 4.34 0.00 2.81 2.86 0.00 0.00 7.11 7.63 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 0.00 212 K 7.37 4.24 0.00 1.92 1.83 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.57 7.81 213 G 7.91 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 C 7.43 4.40 0.00 3.03 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 0.00 215 S 8.75 4.66 0.00 4.05 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 * Residues marked with a * may have inaccurate shift predictions.