NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6662 8.4201 118.1235 53.0988 40.0228 173.3097 0 A 4.6142 8.1762 123.9846 49.5721 22.3294 174.7503 2 Y 4.8723 8.4387 118.6380 57.4172 41.0929 175.1658 3 L 3.8638 9.1324 125.3631 58.4114 42.0499 179.5542 4 A 3.4967 7.6497 120.3751 54.9995 18.0163 179.3418 5 E 3.7198 7.6101 116.1936 59.4464 29.4761 179.2013 6 A 3.9412 7.7270 120.3124 55.3227 18.5533 179.6463 7 L 3.8502 7.8095 117.0983 57.7056 41.6235 179.7487 8 A 3.9549 7.7407 120.2097 55.3257 18.3515 179.4946 9 Q 3.9413 8.1183 116.6457 59.1885 28.7097 179.0698 10 R 3.8255 8.1259 119.6118 59.5863 29.9402 178.2661 11 V 3.5526 7.5828 117.2714 66.1556 31.3862 177.4390 12 E 3.9176 8.2698 118.3460 59.2934 29.4439 178.4567 13 A 4.0120 8.1369 120.6436 55.6036 18.5201 179.7161 14 Q 4.0322 8.3309 116.2714 58.6980 28.6547 179.4144 15 R 3.9198 7.7029 120.1925 59.3831 30.1494 178.4514 16 R 3.9338 8.2967 118.2688 59.5079 30.0316 178.0319 17 Y 4.1115 8.6586 119.4306 61.1159 38.8114 178.1303 18 S 4.1415 8.5312 113.7173 61.6134 62.3574 176.2819 19 E 3.9218 8.2628 120.9576 59.3466 29.2700 178.9736 20 L 3.8884 8.5617 119.7604 57.9050 41.5733 178.8673 21 N 3.9940 8.5070 117.3005 56.8407 38.8068 176.3839 22 Q 3.9439 7.8106 120.3004 59.1161 29.1150 177.6153 23 L 3.8592 7.9683 121.2467 58.3366 41.8379 178.3915 24 L 3.8199 7.8078 118.8938 58.5618 42.3132 178.6947 25 L 4.1073 7.6431 118.4506 57.9230 41.3546 179.4043 26 D 4.3630 7.7236 117.4418 57.2032 40.6830 178.5642 27 V 3.9043 8.0171 117.3659 62.5377 31.5262 177.4797 28 A 4.1426 7.6997 121.4119 53.1350 18.5713 177.3489 29 K 4.7219 6.8149 112.6113 54.5745 35.8118 175.8714 30 V 4.5253 7.8716 118.7146 59.7943 34.4993 174.7096 31 Q 3.9819 8.7191 120.1150 56.3961 29.1844 177.1404 32 E 3.8297 9.1726 124.5064 59.5307 29.8445 178.3632 33 G 3.8093 8.3335 105.7547 48.3423 0.0000 172.8230 34 D 4.7627 7.5891 118.6568 51.5896 41.7460 174.9400 35 Q 4.5485 8.1316 118.0404 53.8257 30.8750 173.3454 36 P 4.4630 0.0000 0.0000 62.0034 32.0050 177.7465 37 A 3.8462 8.6196 124.6487 54.9785 18.4740 177.7330 38 E 4.6285 7.4507 112.6226 53.7395 33.8403 175.2526 39 N 4.5682 8.7093 120.0775 53.0885 39.6201 173.5882 40 P 4.0028 0.0000 0.0000 66.7294 31.5715 177.6911 41 H 3.8810 8.1575 114.2598 59.1574 28.6348 177.7682 42 E 3.9335 8.2009 119.7098 59.5338 29.5408 179.0716 43 I 3.6364 8.0781 120.2060 64.3874 37.1900 178.0806 44 L 3.9141 8.6537 121.7974 58.5082 41.8995 179.2608 45 T 4.6039 7.6901 110.4513 64.4158 68.8199 176.1356 46 E 3.9524 8.4469 121.6700 59.1493 29.3540 179.2989 47 L 3.9346 7.7691 119.6217 58.2492 42.1771 178.8703 48 E 4.0391 8.2446 118.0845 58.9392 29.2832 179.2394 49 E 4.0392 8.2028 119.1918 59.0444 29.6061 178.7343 50 L 4.0285 7.7783 118.5711 58.2928 41.6535 179.4323 51 T 4.1422 8.2596 115.8054 67.2585 68.2838 176.7342 52 T 3.8693 7.5889 110.2032 65.1929 69.0019 175.5071 53 R 3.9153 8.3000 122.3016 58.1796 29.9565 178.2281 54 I 3.6055 8.9199 120.1789 64.8674 37.3861 178.1252 55 N 4.3331 8.4459 116.8473 55.9191 38.1294 177.0399 56 D 4.2528 8.5163 120.2823 57.2965 41.3665 177.8738 57 L 3.9264 7.9207 118.9318 57.8965 41.5443 179.6385 58 V 3.6306 7.8793 117.8454 66.0450 31.4351 177.8002 59 R 3.8490 7.6645 118.2720 59.6307 29.7557 178.6591 60 R 3.8652 8.2436 117.7128 59.3181 30.0830 178.6690 61 I 3.6467 8.3166 120.3978 64.8735 37.3035 177.5915 62 N 4.2059 8.7624 117.4973 56.8049 36.8918 177.0965 63 R 3.9261 8.2951 119.2376 60.0195 30.2688 179.2473 64 T 4.1719 8.2132 109.2188 64.9025 68.8142 176.0616 65 N 4.3475 8.5694 119.9245 55.7548 38.2941 176.3807 66 S 4.6162 7.5816 112.5635 58.4058 63.4540 174.8296 67 V 4.3334 7.1345 120.4766 63.4554 33.9511 176.0184 68 T 4.2505 8.1449 110.4116 60.8745 69.5786 173.2486 69 E 4.7569 8.4959 121.6549 55.2114 31.2853 175.6346 70 F 4.4334 8.6567 123.6138 59.9221 40.3560 174.9099 71 S 4.2807 7.8320 111.9213 57.1410 64.8216 173.1534 72 E 3.6990 7.9794 122.0720 57.2853 28.9568 175.4169 73 G 3.5036 8.3699 116.6210 46.2514 0.0000 171.4975 *75 T 4.3027 7.2263 112.6306 61.6424 71.7056 174.7245 76 L 4.0050 8.2927 121.7415 57.9090 41.8539 178.8780 77 A 3.9580 7.9219 120.7726 54.9762 18.2790 179.3519 78 D 4.2421 8.2007 117.5710 57.3968 40.8346 178.8135 79 A 3.7051 7.5936 120.8632 54.6872 18.3231 179.4793 80 L 3.8251 7.9910 118.1728 58.1267 41.6385 180.0120 81 S 4.3101 7.7665 114.1253 61.2048 63.0376 176.4355 82 V 3.5296 7.6418 121.8695 65.9315 31.2577 177.9178 83 R 3.9296 8.1311 118.3344 59.4821 29.7645 178.2467 84 D 4.3528 7.9634 117.9305 57.4386 40.8655 178.4421 85 A 3.9879 8.2858 121.5300 55.3989 18.3271 179.7272 86 L 4.0736 8.1958 117.5046 57.5674 41.6646 179.5694 87 L 3.5409 7.9514 120.2691 57.8760 42.1159 178.4887 88 K 3.7033 8.1558 120.0553 59.6179 32.1314 178.2533 89 K 3.7440 8.3555 119.7646 59.4904 32.1821 178.5963 90 R 3.9742 8.3974 119.2603 59.7727 29.9288 178.3430 91 T 3.8032 8.2520 115.8309 66.7432 68.4776 175.6763 92 L 3.7754 7.7376 121.7922 58.8263 41.8768 178.7003 93 Y 4.2744 7.5704 115.5909 61.1608 37.8767 178.8103 94 S 4.1695 8.2521 116.0318 61.8479 63.0686 176.6312 95 D 4.5411 8.2243 122.7845 56.7449 40.3524 178.5289 96 L 3.9561 7.7887 119.3884 58.0523 42.2839 178.6805 97 A 4.1673 8.4013 121.1976 55.2358 17.9990 179.0112 98 D 4.6900 8.0883 117.3227 54.6211 39.4002 177.7414 99 Q 4.1010 7.7049 120.4259 58.4266 29.2408 176.8057 100 L 4.3288 7.9788 119.0425 55.8942 41.8073 177.1854 101 T 4.3969 7.4324 107.2963 63.1660 70.9562 176.2072 102 S 3.9237 8.5615 117.4028 61.0766 62.4492 176.2831 103 R 4.0055 7.9915 114.4534 57.3539 29.5819 175.9364 104 Q 4.1452 8.7829 119.1173 57.4654 30.4888 176.3592 105 D 4.3423 7.6302 116.5040 57.6896 41.4421 178.4000 106 R 4.3494 7.8884 115.6906 57.5327 29.3350 179.2874 *107 Y 3.9529 7.2503 117.6983 60.3009 37.1220 180.2361 108 S 4.7509 7.4527 114.5998 57.5414 63.3356 173.9474 109 R 4.6326 8.4250 122.3008 55.4153 32.6084 175.1501 110 S 4.7840 7.4273 113.4122 56.9617 65.3365 174.1422 111 E 4.7497 8.4504 119.8038 56.3017 29.7096 175.3193 112 I 4.5647 7.5617 118.4186 59.7936 40.2367 175.7610 113 K 4.3351 8.4421 122.8249 56.5960 32.7296 175.9207 114 Y 4.5494 8.4654 118.6206 56.3383 39.6653 175.6167 115 V 4.4496 8.2460 122.5081 60.9119 34.5740 174.3517 116 A 4.7607 8.4419 128.2301 51.1067 20.5281 176.9087 117 T 4.3041 8.1700 110.4234 61.6576 69.6457 174.8669 *119 D 4.2441 7.9871 121.9229 54.6887 41.2094 174.8123 120 A 3.9600 8.5615 129.4242 55.2901 18.0692 178.6104 121 R 3.8148 8.2700 116.4441 59.7974 30.0379 178.4360 122 E 3.8856 8.2935 118.1467 59.4394 29.5257 179.1612 123 I 3.5822 7.7267 119.2838 64.5563 37.1601 178.0855 124 R 3.8887 8.1994 119.5099 59.4919 29.7913 178.2338 125 K 3.8839 7.7812 117.8179 59.7332 32.1411 179.0299 126 K 3.6254 7.9644 118.0307 59.5462 31.8648 179.2587 127 A 4.0605 7.9163 120.6014 55.4529 18.5954 179.1311 128 D 4.3747 8.7264 117.8615 57.6733 40.8677 179.2923 129 L 3.8900 8.4212 120.6630 58.1965 42.4104 178.7941 130 A 4.1228 8.1373 120.3273 54.8238 18.1744 179.4763 131 A 4.0521 8.0157 119.5767 54.9650 18.7707 179.5487 132 K 3.9007 7.9072 117.6861 59.7553 32.2482 178.8099 133 E 3.9923 8.2991 118.7508 59.5593 29.4183 178.3113 134 Y 4.1148 7.9416 119.1887 61.0898 38.7753 178.2639 135 R 3.7944 8.2243 119.2225 59.5616 30.1245 177.9689 136 Q 3.9136 8.2018 119.1981 59.0084 29.0036 177.6731 137 L 3.9725 7.9518 121.1290 58.4305 42.0721 178.6452 138 D 4.0932 8.2050 117.7879 57.3046 41.1659 178.2084 139 V 3.5699 7.7725 118.6083 66.3184 31.5160 177.5245 140 D 4.4364 8.5422 118.8331 57.5715 40.6250 179.1505 141 I 3.9082 8.1914 120.3182 64.6489 36.9604 178.3518 142 Q 4.1351 8.3263 117.9882 59.0066 28.8260 179.0602 143 R 4.1119 8.1922 119.5774 59.4389 30.2361 178.2355 144 L 3.9416 7.9123 120.1577 58.3710 42.0711 178.5409 145 N 4.2678 8.6798 116.7345 55.7690 38.2504 176.4048 146 W 4.6241 7.8261 117.5754 56.4968 29.9228 176.2568 147 Q 4.2168 7.8420 117.5629 55.6088 28.6733 175.7266 148 T 4.5684 7.2300 113.7027 62.9055 72.4129 173.2537 149 E 4.6354 8.8281 125.9949 55.1508 30.3846 176.1103 150 L 3.9649 8.5752 125.8641 55.2072 42.4597 176.6754 151 Q 4.1840 8.6777 124.0964 56.3346 28.6175 176.1598 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 -1 N 8.42 4.67 0.00 2.72 2.80 0.00 0.00 6.66 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.18 4.61 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 2 Y 8.44 4.87 0.00 2.90 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 3 L 9.13 3.86 0.00 1.67 1.75 0.88 1.30 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 4 A 7.65 3.50 -0.42 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 5 E 7.61 3.72 0.00 2.08 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 2.45 2.28 0.00 6 A 7.73 3.94 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.81 3.85 0.00 1.84 1.67 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.74 3.95 1.38 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 0.00 0.00 0.00 9 Q 8.12 3.94 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 10 R 8.13 3.83 0.00 1.96 2.02 0.00 3.08 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 11 V 7.58 3.55 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 0.95 0.00 0.00 0.98 0.00 0.00 12 E 8.27 3.92 0.00 2.14 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 2.33 2.40 0.00 13 A 8.14 4.01 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 14 Q 8.33 4.03 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 15 R 7.70 3.92 0.00 2.00 2.12 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 16 R 8.30 3.93 0.00 2.10 2.01 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 17 Y 8.66 4.11 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.53 4.14 0.00 4.09 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 0.00 19 E 8.26 3.92 0.00 2.31 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 2.33 2.47 0.00 20 L 8.56 3.89 0.00 1.82 1.59 0.90 0.04 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 21 N 8.51 3.99 0.00 2.51 2.91 0.00 0.00 6.91 7.01 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 22 Q 7.81 3.94 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 23 L 7.97 3.86 0.00 1.77 1.79 0.90 0.38 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 24 L 7.81 3.82 0.00 1.66 1.81 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.64 4.11 0.00 1.82 1.69 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.72 4.36 0.00 2.82 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 27 V 8.02 3.90 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 28 A 7.70 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.81 4.72 0.00 1.75 1.67 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.32 7.81 30 V 7.87 4.53 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 0.71 0.00 0.00 0.96 0.00 0.00 31 Q 8.72 3.98 0.00 2.54 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 32 E 9.17 3.83 0.00 1.92 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 2.31 2.36 0.00 33 G 8.33 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 0.00 0.00 0.00 34 D 7.59 4.76 0.00 2.79 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 35 Q 8.13 4.55 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 36 P 0.00 4.46 0.00 2.36 1.94 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 37 A 8.62 3.85 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 38 E 7.45 4.63 0.00 1.91 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 2.23 2.36 0.00 39 N 8.71 4.57 0.00 2.76 2.94 0.00 0.00 7.01 7.71 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 40 P 0.00 4.00 0.00 2.00 1.94 0.00 3.67 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 41 H 8.16 3.88 0.00 3.27 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.20 3.93 0.00 2.33 1.99 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 2.33 2.36 0.00 43 I 8.08 3.64 1.97 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 1.38 0.91 0.85 0.00 0.00 44 L 8.65 3.91 0.00 1.80 1.66 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.69 4.60 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 1.26 0.00 0.00 46 E 8.45 3.95 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 47 L 7.77 3.93 0.00 1.92 1.75 0.60 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.24 4.04 0.00 2.08 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 2.35 2.56 0.00 49 E 8.20 4.04 0.00 2.30 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 2.33 2.44 0.00 50 L 7.78 4.03 0.00 2.05 1.88 1.08 0.59 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 51 T 8.26 4.14 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 1.28 0.00 0.00 52 T 7.59 3.87 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 53 R 8.30 3.92 0.00 1.98 2.09 0.00 3.14 0.00 0.00 3.18 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 54 I 8.92 3.61 1.97 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 1.51 0.66 0.84 0.00 0.00 55 N 8.45 4.33 0.00 2.74 2.86 0.00 0.00 6.76 8.94 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 56 D 8.52 4.25 0.00 2.90 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 57 L 7.92 3.93 0.00 1.86 1.70 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.88 3.63 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 0.97 0.00 0.00 0.95 0.00 0.00 59 R 7.66 3.85 0.00 2.10 2.02 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 60 R 8.24 3.87 0.00 2.01 1.94 0.00 3.20 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 61 I 8.32 3.65 2.06 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 1.48 0.81 0.88 0.00 0.00 62 N 8.76 4.21 0.00 2.93 2.88 0.00 0.00 7.09 5.45 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 63 R 8.30 3.93 0.00 1.97 2.00 0.00 3.12 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 64 T 8.21 4.17 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 65 N 8.57 4.35 0.00 2.94 2.89 0.00 0.00 6.69 7.23 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 66 S 7.58 4.62 0.00 4.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.13 4.33 2.18 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 0.85 0.00 0.00 0.94 0.00 0.00 68 T 8.14 4.25 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 1.33 0.00 0.00 69 E 8.50 4.76 0.00 2.12 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 2.21 2.29 0.00 70 F 8.66 4.43 0.00 2.99 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 71 S 7.83 4.28 0.00 3.90 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 72 E 7.98 3.70 0.00 1.76 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 2.34 2.36 0.00 73 G 8.37 3.50 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 0.00 0.00 0.00 *75 T 7.23 4.30 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 76 L 8.29 4.01 0.00 1.83 1.82 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.92 3.96 1.31 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 78 D 8.20 4.24 0.00 2.87 2.68 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 79 A 7.59 3.71 0.35 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 80 L 7.99 3.83 0.00 1.78 1.69 0.88 0.81 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 81 S 7.77 4.31 0.00 3.98 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 82 V 7.64 3.53 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 83 R 8.13 3.93 0.00 1.82 2.09 0.00 2.92 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.49 0.00 84 D 7.96 4.35 0.00 2.94 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 85 A 8.29 3.99 1.39 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 86 L 8.20 4.07 0.00 2.14 1.92 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.95 3.54 0.00 1.56 1.71 0.26 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.16 3.70 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 89 K 8.36 3.74 0.00 1.94 2.04 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.47 7.81 90 R 8.40 3.97 0.00 1.86 1.94 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 91 T 8.25 3.80 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 1.19 0.00 0.00 92 L 7.74 3.78 0.00 1.54 1.50 0.77 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.57 4.27 0.00 3.10 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 94 S 8.25 4.17 0.00 4.10 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 95 D 8.22 4.54 0.00 2.81 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 96 L 7.79 3.96 0.00 1.74 1.96 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.40 4.17 1.40 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 98 D 8.09 4.69 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.70 4.10 0.00 2.13 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 100 L 7.98 4.33 0.00 1.87 1.72 0.98 1.10 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 0.00 101 T 7.43 4.40 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 0.00 102 S 8.56 3.92 0.00 3.95 3.87 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 0.00 103 R 7.99 4.01 0.00 1.79 2.04 0.00 3.28 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 104 Q 8.78 4.15 0.00 1.90 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 105 D 7.63 4.34 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.89 4.35 0.00 1.87 1.79 0.00 3.31 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *107 Y 7.25 3.95 0.00 2.27 2.22 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 0.00 108 S 7.45 4.75 0.00 3.99 3.79 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 0.00 0.00 0.00 109 R 8.42 4.63 0.00 1.78 1.89 0.00 3.31 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 110 S 7.43 4.78 0.00 4.18 3.95 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 0.00 111 E 8.45 4.75 0.00 2.07 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 2.18 2.23 0.00 112 I 7.56 4.56 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.81 0.00 0.00 113 K 8.44 4.34 0.00 1.75 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.49 7.81 114 Y 8.47 4.55 0.00 2.89 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.25 4.45 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 0.84 0.00 0.00 0.94 0.00 0.00 116 A 8.44 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.17 4.30 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 1.23 0.00 0.00 *119 D 7.99 4.24 0.00 2.80 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 0.00 120 A 8.56 3.96 1.34 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 0.00 121 R 8.27 3.81 0.00 1.87 2.29 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 122 E 8.29 3.89 0.00 2.22 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 2.44 2.48 0.00 123 I 7.73 3.58 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.06 1.05 0.00 0.00 124 R 8.20 3.89 0.00 2.03 1.92 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 125 K 7.78 3.88 0.00 1.97 1.79 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.59 7.81 126 K 7.96 3.63 0.00 1.24 0.74 0.00 1.31 0.00 0.00 1.03 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.37 7.81 127 A 7.92 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.73 4.37 0.00 2.89 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 0.00 129 L 8.42 3.89 0.00 1.76 1.78 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.14 4.12 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 0.00 131 A 8.02 4.05 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 0.00 132 K 7.91 3.90 0.00 2.07 1.94 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.56 7.81 133 E 8.30 3.99 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 134 Y 7.94 4.11 0.00 3.18 3.19 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 0.00 135 R 8.22 3.79 0.00 2.22 1.95 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 136 Q 8.20 3.91 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 137 L 7.95 3.97 0.00 1.93 1.65 0.85 1.14 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 0.00 138 D 8.20 4.09 0.00 2.12 2.48 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 0.00 139 V 7.77 3.57 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 0.98 0.00 0.00 0.95 0.00 0.00 140 D 8.54 4.44 0.00 3.03 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 0.00 141 I 8.19 3.91 2.01 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 1.49 0.90 0.91 0.00 0.00 142 Q 8.33 4.14 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 143 R 8.19 4.11 0.00 2.08 2.07 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 144 L 7.91 3.94 0.00 2.06 1.72 0.78 0.89 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 0.00 145 N 8.68 4.27 0.00 2.95 2.61 0.00 0.00 6.99 7.36 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 0.00 146 W 7.83 4.62 0.00 3.39 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 7.84 4.22 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.22 0.00 148 T 7.23 4.57 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 149 E 8.83 4.64 0.00 2.04 1.96 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 2.46 2.57 0.00 150 L 8.58 3.96 0.00 1.58 1.60 0.90 0.78 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 0.00 151 Q 8.68 4.18 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.