NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.4917 8.0976 119.6488 56.0391 32.3525 173.8174 12 K 4.8516 8.3781 119.9154 54.6811 36.6529 172.9919 13 I 4.4999 8.8960 122.8697 59.4371 40.7508 175.8314 14 I 4.6286 7.8589 127.7551 60.0020 39.1543 174.6205 15 I 4.7614 8.8498 128.0893 58.6674 39.0615 177.2838 16 A 4.5768 8.9468 133.8491 51.0575 16.0029 176.9190 17 S 4.5594 7.6733 111.7539 58.7725 66.7695 176.9883 18 Q 4.5677 8.8388 122.6217 55.6250 29.7244 176.0015 19 N 4.4384 8.0324 118.7902 52.7934 39.9095 173.5103 20 P 4.2668 0.0000 0.0000 66.0125 31.4354 178.4020 21 A 3.9767 8.6739 120.8807 54.9305 18.3557 179.8271 22 K 4.0677 8.1268 116.5785 59.5745 32.3172 179.6548 23 V 3.6324 7.8869 118.5915 65.9929 31.4127 177.8987 24 N 4.2267 8.3901 116.1555 56.1644 38.3040 177.1686 25 A 4.0482 7.8906 121.7664 55.2524 18.4186 179.8956 26 V 3.6556 7.8110 116.5544 66.0575 31.5300 178.4858 27 R 2.7741 7.6848 117.8022 59.0251 29.8535 178.9898 28 S 4.0632 8.5721 112.9364 61.3020 62.4132 176.0654 29 A 3.9656 8.4312 123.8305 55.2364 18.1416 179.6975 30 F 4.0493 8.7479 116.7683 60.5263 38.7929 178.1990 31 S 4.6107 8.4623 113.5166 61.5590 62.9233 176.5806 32 T 4.0195 7.7759 118.7676 66.6320 68.3549 176.5993 33 V 3.5503 7.3727 118.5007 64.1887 32.9650 176.1950 34 F 5.1895 8.3901 117.0676 55.4033 38.7545 173.9915 35 P 4.5683 0.0000 0.0000 64.4721 32.0272 177.3849 36 D 4.7668 8.1523 117.4836 54.0372 41.2137 174.8879 37 Q 4.5219 7.7634 115.6994 54.2269 32.5323 174.3424 38 E 4.5730 7.5611 117.1699 54.6131 33.2300 175.0232 39 W 5.7424 8.4447 120.7742 54.4215 34.0965 173.9626 40 E 4.5438 8.5470 122.0125 54.7668 30.5885 174.6381 41 F 4.7208 9.0597 126.9848 56.9921 40.0413 175.2824 42 I 4.4253 9.0065 125.7191 59.3262 39.9115 174.9713 43 G 4.2320 8.7474 114.8840 44.5283 0.0000 173.0025 44 V 4.4993 8.8719 126.6769 61.0479 34.7416 174.2948 45 S 4.9003 8.5308 119.2288 56.6922 63.6762 173.6565 46 V 4.5929 8.2310 119.5730 58.6099 35.5587 173.5778 47 P 4.4631 0.0000 0.0000 63.0099 31.7411 176.4782 48 S 4.3605 8.5314 113.8053 58.3568 63.8828 174.5724 49 E 3.8088 8.4774 118.3016 57.0490 26.3460 173.5998 50 V 4.4800 7.4943 110.5798 59.1921 36.2995 174.8856 51 A 4.1293 8.3162 123.3663 52.6737 18.4645 178.7612 52 D 4.5238 8.7222 120.9439 56.6327 41.0610 176.8298 53 Q 4.3413 7.3347 117.8688 52.6022 29.2725 172.9426 54 P 4.9053 0.0000 0.0000 61.2856 32.0691 175.3643 *56 S 4.6649 8.2209 112.1632 58.5441 65.1503 173.9911 57 D 4.7243 10.0954 123.4774 57.9112 41.0451 178.4809 58 E 3.9000 8.2965 118.5490 59.5919 29.3522 178.9530 59 E 3.9744 8.4694 119.2088 59.2765 29.7733 179.0005 60 T 3.9662 8.2541 115.9883 66.5461 68.6371 176.5218 61 K 3.4481 8.0915 121.5369 59.3998 31.9490 178.5643 62 Q 3.9567 8.1506 119.9564 59.0516 28.8718 178.5645 63 G 3.5569 8.2752 106.7230 47.5200 0.0000 175.6548 64 A 4.0355 7.9058 122.6682 54.9533 18.4393 179.6736 65 L 3.9177 7.9714 117.5286 58.1096 41.6069 179.6060 66 N 4.3537 8.4714 116.6786 56.3150 38.3779 177.7354 67 R 4.0426 8.0487 119.5764 59.2326 30.0895 179.2821 68 V 3.6276 7.8204 118.1111 65.9441 31.5159 178.0954 69 R 3.7755 7.9978 118.4933 59.5429 29.9541 178.3033 70 N 4.3553 8.4843 116.2893 56.0459 38.3718 177.3591 71 A 4.0669 8.2934 122.7729 55.0207 18.2931 179.7583 72 K 3.1678 7.6887 115.9219 59.6318 32.1553 179.3425 73 Q 4.0750 7.7298 116.8911 58.7352 28.6360 178.3326 74 R 4.2443 7.9295 118.8476 57.8301 31.6590 176.2260 75 H 4.8988 8.3544 114.5541 53.2093 29.1324 171.1902 76 P 4.5625 0.0000 0.0000 63.0494 32.3088 176.7988 77 G 4.0251 8.9874 108.1551 45.5374 0.0000 174.3598 78 A 4.0280 7.6109 121.7827 51.9223 18.5596 177.1172 79 E 4.0228 8.4868 121.6908 58.7252 31.0094 176.3646 80 Y 5.0976 7.3077 115.1064 56.2796 42.9005 173.9221 81 Y 5.0669 9.4087 120.1263 56.1585 41.7696 174.6568 82 V 4.9618 9.1221 124.2107 61.0099 34.5427 174.2627 83 G 4.4762 9.4285 115.2116 44.3978 0.0000 172.7089 84 L 4.8626 8.5159 124.9893 53.3390 44.7398 174.6868 85 E 4.7492 9.2208 127.8224 54.2210 32.2578 174.8865 86 A 4.7729 8.8033 128.7179 51.9765 20.4084 175.9856 87 G 4.5580 8.6535 106.3353 46.6159 0.0000 171.9548 88 I 4.7535 7.9620 112.1954 59.0138 41.1242 174.8959 89 E 4.5285 8.9992 124.0826 55.7276 32.8203 176.1970 90 E 3.8072 9.4483 129.1737 57.8538 28.0984 174.9703 91 N 4.9226 9.4282 121.2242 53.1266 37.9893 174.1940 92 K 5.0306 8.2425 118.4500 55.3989 35.5432 175.0300 93 T 4.7537 8.2954 116.5527 60.5454 71.3494 172.4615 94 F 4.8906 7.4225 119.4103 56.6907 41.9172 172.0417 95 A 5.1578 8.7034 119.3811 50.5079 22.7291 176.2191 96 W 4.6662 9.1214 121.3062 55.2126 32.9268 174.5921 *98 I 4.4687 8.0417 119.6943 61.9453 38.3655 175.0619 99 V 4.9500 9.0573 126.9776 61.1548 34.4024 173.9574 100 E 5.5543 9.7822 127.5677 54.9281 33.0784 175.8106 101 S 4.9293 8.9475 119.2474 56.1358 65.4228 173.4680 102 D 4.5472 8.8780 118.3397 57.0485 40.7022 177.3650 103 Q 4.5654 8.1638 115.7468 55.4830 31.1906 174.9581 104 Q 4.7989 8.5445 115.1018 53.9747 31.5488 173.8883 105 R 5.2829 8.3240 117.5620 54.6428 33.1865 174.2388 106 G 4.8530 10.2154 113.1195 43.8263 0.0000 171.3781 107 E 5.3002 8.4367 117.6634 55.6161 32.3916 174.2042 108 S 4.5689 8.6029 112.7402 57.5776 65.3353 173.9480 109 R 4.0612 7.8124 126.5558 53.8760 31.4120 175.7658 110 S 4.4138 8.4591 121.1825 57.7196 64.1531 173.7177 111 A 4.2159 8.4390 122.5031 52.3229 18.6040 177.1181 112 C 4.8597 8.5520 116.2452 56.9132 31.6299 173.3411 113 L 4.5809 8.5852 124.5521 54.4959 44.9692 176.2882 *115 L 4.4691 8.5925 116.4599 53.3641 42.9891 174.7468 116 P 4.3735 0.0000 0.0000 61.9101 32.1570 175.8597 117 P 4.2175 0.0000 0.0000 66.1523 30.8313 178.6249 118 L 3.9323 7.8242 119.4615 57.9164 41.8836 178.9871 119 V 3.6069 7.6473 116.8010 65.6729 31.9251 177.3672 120 L 4.1017 8.1718 120.7711 57.9367 41.9292 178.6749 121 E 4.0225 8.5194 118.2944 59.3058 29.1908 178.4810 122 R 4.4283 7.4290 114.6896 55.9116 30.4615 176.5346 123 L 4.5825 7.6475 122.8336 56.3512 44.0621 178.6177 124 R 4.0632 7.5326 115.1734 58.6691 30.2040 177.1397 125 Q 4.2286 8.1457 116.1305 55.3940 28.5200 176.0345 126 A 3.8497 7.8583 118.5026 52.2903 18.1075 180.5126 127 K 3.6215 7.2804 120.1590 59.0927 35.5421 178.3052 *130 G 3.9643 8.4390 108.3072 45.0630 0.0000 174.6892 131 D 4.4867 8.7887 122.5235 56.2883 41.0539 176.2229 132 V 3.6105 6.8546 119.3333 63.0051 29.7644 173.7246 *134 D 4.4247 7.8308 119.0643 53.9249 40.8865 175.0880 135 E 4.5255 8.1921 119.1215 55.9608 32.4786 176.4537 *142 I 4.1234 7.6316 119.1394 60.9603 39.6550 176.9635 143 K 4.1546 8.0743 115.7656 56.9421 31.2720 177.1726 144 Q 4.5746 8.0539 117.9403 55.1549 30.6961 176.2258 145 K 4.4765 8.2749 116.3814 56.5228 33.1551 176.8904 146 G 3.6689 8.1958 106.3986 45.6030 0.0000 175.9470 147 G 4.1616 7.9133 109.3380 44.6678 0.0000 173.8390 148 A 3.9509 8.5634 119.0242 55.4265 18.1960 179.9483 149 I 3.6861 7.7617 117.6872 64.6048 37.2504 178.6655 150 G 4.0276 8.0309 106.4522 47.3472 0.0000 175.4971 151 L 3.9224 8.0023 122.7026 58.0224 42.0111 179.1531 152 L 4.1084 8.2721 117.8898 56.7866 41.6755 178.5040 153 T 4.4876 7.8519 108.8064 60.4536 68.9853 174.7209 154 R 3.8342 8.3367 117.8113 58.0794 28.2117 176.1524 155 H 4.0960 8.7765 113.2571 57.4283 28.8167 175.1387 156 H 4.5084 8.3354 115.7841 57.2216 29.0308 175.2727 157 L 4.8364 7.9800 118.7984 52.4180 45.8621 175.0446 158 T 4.8297 8.2280 110.1395 59.0984 73.2393 175.0170 159 R 3.5736 8.2231 120.7215 59.4527 29.9499 178.7545 160 S 4.0207 7.7275 114.7512 61.7807 62.7788 176.5647 161 T 3.9807 7.9930 112.0264 64.0772 68.4089 176.9754 162 V 3.6125 7.6876 121.6501 66.1351 31.6269 177.5697 163 Y 4.2862 8.4094 116.9261 61.2106 37.6530 177.8711 164 H 4.1463 8.5236 119.3639 59.4736 29.8484 177.2877 165 Q 3.9088 7.7444 118.9377 58.9691 28.5195 178.5711 166 A 3.9202 7.6972 121.7438 55.1309 18.1534 179.6107 167 L 3.9021 7.9924 116.6992 58.0698 42.0147 179.5206 168 I 3.6681 7.6628 119.5900 64.2861 36.9828 178.4748 169 L 3.9104 8.1114 119.7551 57.7205 41.5472 179.3344 170 A 4.3161 8.3980 120.3757 54.1945 18.2962 178.5979 171 L 4.6340 7.6573 116.5206 55.1062 41.9890 178.4422 172 I 3.5013 7.4239 121.3882 64.2268 36.8687 175.8599 173 P 3.2361 0.0000 0.0000 65.5624 31.1212 178.3486 174 F 4.5140 7.5253 114.1994 59.9475 39.0792 177.2884 175 I 4.2794 7.6169 119.0485 62.5312 38.5887 175.9468 176 N 5.4430 8.0981 115.4193 49.8074 38.3474 173.2360 177 P 4.4047 0.0000 0.0000 65.8334 32.3823 178.9806 178 E 4.1536 8.3235 116.2868 58.3774 29.4960 177.4322 179 H 4.8546 8.4977 114.2271 55.5227 30.5137 174.0022 180 Y 4.5047 7.5289 115.9173 55.0565 38.1317 173.3911 181 P 4.4641 0.0000 0.0000 62.4184 32.8337 177.5626 182 S 4.0481 8.6147 113.9899 59.2934 62.9991 172.5195 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 R 8.10 4.49 0.00 1.85 1.97 0.00 3.16 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 12 K 8.38 4.85 0.00 1.93 1.80 0.00 1.39 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.41 7.81 13 I 8.90 4.50 0.92 0.00 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.05 0.39 0.00 0.00 14 I 7.86 4.63 1.57 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 0.83 0.97 0.94 0.00 0.00 15 I 8.85 4.76 1.89 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 1.31 0.99 0.94 0.00 0.00 16 A 8.95 4.58 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 17 S 7.67 4.56 0.00 3.93 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 18 Q 8.84 4.57 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 19 N 8.03 4.44 0.00 2.82 2.74 0.00 0.00 6.88 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 20 P 0.00 4.27 0.00 2.30 2.30 0.00 3.76 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 2.07 2.04 0.00 21 A 8.67 3.98 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 22 K 8.13 4.07 0.00 2.00 1.92 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.59 7.81 23 V 7.89 3.63 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 1.03 0.00 0.00 1.00 0.00 0.00 24 N 8.39 4.23 0.00 2.98 2.81 0.00 0.00 6.88 7.07 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 25 A 7.89 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.81 3.66 2.26 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 1.22 0.00 0.00 1.04 0.00 0.00 27 R 7.68 2.77 0.00 1.71 1.50 0.00 2.96 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 28 S 8.57 4.06 0.00 3.81 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 29 A 8.43 3.97 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 30 F 8.75 4.05 0.00 3.45 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 31 S 8.46 4.61 0.00 4.14 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 0.00 32 T 7.78 4.02 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 1.19 0.00 0.00 33 V 7.37 3.55 1.26 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 -0.20 0.00 0.00 0.67 0.00 0.00 34 F 8.39 5.19 0.00 3.78 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 35 P 0.00 4.57 0.00 2.24 2.35 0.00 3.92 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 36 D 8.15 4.77 0.00 2.69 2.76 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 37 Q 7.76 4.52 0.00 1.71 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.38 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 38 E 7.56 4.57 0.00 1.71 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 39 W 8.44 5.74 0.00 2.33 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 40 E 8.55 4.54 0.00 2.04 1.79 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 0.00 2.32 2.35 0.00 41 F 9.06 4.72 0.00 2.89 2.95 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 0.00 0.00 0.00 42 I 9.01 4.43 1.81 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 1.17 1.00 0.89 0.00 0.00 43 G 8.75 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 0.00 0.00 0.00 44 V 8.87 4.50 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 0.86 0.00 0.00 0.66 0.00 0.00 45 S 8.53 4.90 0.00 4.01 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 46 V 8.23 4.59 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 0.86 0.00 0.00 0.98 0.00 0.00 47 P 0.00 4.46 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 48 S 8.53 4.36 0.00 4.01 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 49 E 8.48 3.81 0.00 2.15 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 2.20 2.31 0.00 50 V 7.49 4.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 51 A 8.32 4.13 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 52 D 8.72 4.52 0.00 2.68 2.76 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 53 Q 7.33 4.34 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 54 P 0.00 4.91 0.00 2.25 2.15 0.00 3.96 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 *56 S 8.22 4.66 0.00 4.27 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 57 D 10.10 4.72 0.00 2.63 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 58 E 8.30 3.90 0.00 2.11 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 2.40 2.43 0.00 59 E 8.47 3.97 0.00 2.07 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 0.00 2.34 2.36 0.00 60 T 8.25 3.97 4.94 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 1.61 0.00 0.00 61 K 8.09 3.45 0.00 0.79 1.18 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 0.21 7.81 62 Q 8.15 3.96 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 63 G 8.28 3.56 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 0.00 0.00 0.00 64 A 7.91 4.04 1.44 0.00 0.00 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0.00 0.00 81 Y 9.41 5.07 0.00 2.92 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 82 V 9.12 4.96 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 1.08 0.00 0.00 0.96 0.00 0.00 83 G 9.43 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.52 4.86 0.00 1.61 1.55 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.22 4.75 0.00 2.15 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 2.39 2.33 0.00 86 A 8.80 4.77 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 87 G 8.65 4.56 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 0.00 0.00 0.00 88 I 7.96 4.75 1.88 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 1.08 1.00 0.77 0.00 0.00 89 E 9.00 4.53 0.00 2.39 2.14 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0.84 0.90 0.00 0.00 150 G 8.03 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 0.00 151 L 8.00 3.92 0.00 1.77 1.81 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.27 4.11 0.00 1.65 1.71 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 153 T 7.85 4.49 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 1.24 0.00 0.00 154 R 8.34 3.83 0.00 1.91 1.96 0.00 3.34 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 155 H 8.78 4.10 0.00 3.17 3.29 0.00 5.75 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 H 8.34 4.51 0.00 3.26 3.33 0.00 5.66 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 0.00 157 L 7.98 4.84 0.00 1.63 1.45 0.92 0.30 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 0.00 158 T 8.23 4.83 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 0.95 0.00 0.00 159 R 8.22 3.57 0.00 1.73 1.65 0.00 2.93 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.72 0.00 160 S 7.73 4.02 0.00 3.83 3.84 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 0.00 161 T 7.99 3.98 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 1.17 0.00 0.00 162 V 7.69 3.61 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.00 0.00 0.00 163 Y 8.41 4.29 0.00 3.05 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 0.00 164 H 8.52 4.15 0.00 3.41 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Q 7.74 3.91 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 166 A 7.70 3.92 1.23 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 0.00 0.00 167 L 7.99 3.90 0.00 1.80 1.71 1.03 0.85 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 0.00 168 I 7.66 3.67 1.88 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 0.78 0.00 0.00 169 L 8.11 3.91 0.00 1.78 1.67 0.87 0.97 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 0.00 170 A 8.40 4.32 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 4.63 0.00 1.72 1.62 0.22 0.16 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 0.00 172 I 7.42 3.50 1.73 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 1.45 0.37 0.46 0.00 0.00 173 P 0.00 3.24 0.00 1.08 1.66 0.00 3.47 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 174 F 7.53 4.51 0.00 3.31 3.35 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 0.00 175 I 7.62 4.28 1.99 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.92 0.00 0.00 176 N 8.10 5.44 0.00 3.01 2.99 0.00 0.00 6.85 7.55 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 0.00 177 P 0.00 4.40 0.00 2.25 2.21 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 178 E 8.32 4.15 0.00 1.86 1.92 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 2.40 2.41 0.00 179 H 8.50 4.85 0.00 3.20 3.01 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 7.53 4.50 0.00 2.87 2.82 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 0.00 181 P 0.00 4.46 0.00 2.18 2.05 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 182 S 8.61 4.05 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.