NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6437 8.4244 118.1220 52.6282 40.0244 172.8237 3 L 3.8403 8.3099 121.2600 54.2394 42.2118 174.5765 4 P 4.4224 0.0000 0.0000 62.8224 32.8955 176.5174 5 T 4.1423 9.0692 113.7704 60.8622 70.8050 175.4950 6 A 3.9493 8.4316 122.5493 55.7659 18.2216 179.9645 7 Q 3.8771 7.9371 115.7193 58.9199 28.7462 178.4131 8 E 3.8425 8.0447 119.7418 59.4150 29.4336 179.5165 9 V 3.0773 8.0242 118.2700 66.0848 31.5437 177.9688 10 Q 4.0532 8.2908 118.0195 58.9453 28.5294 179.1965 11 G 3.5750 8.0527 106.5828 47.8618 0.0000 175.7901 12 L 3.9938 8.0712 121.8819 57.7077 41.4436 179.5630 13 M 4.1826 8.3723 118.7296 58.3133 31.9182 178.6925 14 A 3.9597 8.0331 121.0468 55.0408 18.4221 179.6842 15 R 3.8681 8.1209 117.7033 59.4134 30.1343 178.8757 16 S 4.0453 8.1008 114.3148 61.4491 62.7992 176.6441 17 I 3.6203 7.3626 123.4138 63.7020 36.8599 177.8311 18 E 3.9316 8.0816 119.6506 59.7180 29.3477 179.6268 19 L 3.9281 8.0752 118.7072 57.6459 41.4513 179.4310 20 V 3.5384 7.4758 117.1687 66.4077 31.4348 177.3239 21 D 4.4599 8.0571 116.3409 57.2437 41.1663 178.0399 22 V 3.9666 7.6922 111.3583 61.8475 31.7724 177.0439 23 G 3.8127 8.1061 106.5180 46.1164 0.0000 174.4118 24 D 4.5740 7.8088 120.4786 52.5561 40.1867 176.2165 25 I 3.6345 8.0010 126.2811 64.0490 37.5204 177.1842 26 E 3.9247 8.3106 118.7138 59.7867 29.0982 179.5635 27 A 3.9965 7.8986 118.5563 55.1214 18.6835 179.2892 28 I 3.6713 7.7093 118.2960 64.7267 37.2013 178.6141 29 V 3.6898 8.1226 119.1374 66.3375 31.1071 177.8543 30 Q 4.0694 8.0386 118.0219 59.2316 29.0482 177.7760 31 M 4.1792 8.3280 119.1307 56.3436 32.0742 175.4314 32 Y 4.5532 7.3466 116.7277 55.7356 39.8824 175.4066 33 A 4.2036 8.6524 126.8380 52.3811 19.3606 178.5944 34 D 4.4704 8.9388 119.9283 55.9188 39.4935 177.4037 35 D 4.9809 7.8029 117.6627 52.5326 40.0327 176.8273 36 A 4.6033 8.0999 120.9551 53.5194 20.0521 177.3445 37 T 4.9409 8.6002 109.3676 59.8425 71.9574 173.3156 38 V 4.8299 8.5267 123.4624 61.1741 35.2698 173.8155 39 E 4.7421 8.9436 127.1753 54.8163 31.6475 175.2117 40 N 5.0530 8.2907 124.9259 51.7458 40.9207 172.0539 41 P 4.5459 0.0000 0.0000 61.7437 33.2081 175.3668 42 F 3.8965 8.5542 124.3214 59.8541 38.8650 174.6918 43 G 3.5223 8.1408 114.1511 45.5993 0.0000 173.6005 44 Q 4.2386 7.3952 120.3232 53.6244 30.3674 173.2663 45 P 4.2910 0.0000 0.0000 62.0981 31.8098 174.8235 46 P 4.7827 0.0000 0.0000 61.9073 32.9806 175.1950 47 I 4.6226 8.5045 114.7829 59.4876 40.2802 174.1018 48 H 5.1709 9.1678 121.8029 55.2309 31.2786 174.9794 49 G 4.0495 9.1388 109.0053 45.7538 0.0000 174.5616 50 R 3.9412 8.5473 120.2859 59.2071 30.0658 179.3217 51 E 3.9677 8.0881 118.5203 59.4488 29.8495 178.7066 52 Q 4.1334 8.0282 117.1941 58.4732 28.8523 178.2759 53 I 3.8408 7.6542 120.8042 63.7387 37.1438 177.9437 54 A 4.1512 8.6579 122.0468 55.1776 18.1425 179.6053 55 A 3.9430 7.8934 118.7824 55.0821 18.4757 179.1841 56 F 3.7565 8.1988 119.2270 62.1123 39.2896 177.2150 57 Y 3.9589 8.1386 115.7991 60.9016 37.4109 178.8301 58 R 3.8684 8.2535 118.9365 59.3029 30.2556 178.5648 59 Q 4.1065 8.0517 118.6002 58.7035 29.0771 177.7854 60 G 3.4889 7.4359 105.6358 45.0829 0.0000 173.9657 61 L 4.2503 7.8502 121.7186 52.8482 42.9410 176.0919 *65 K 4.0028 8.4009 123.7320 56.1538 32.5300 174.2188 66 V 4.6679 8.2127 125.4143 61.2850 34.4752 174.5046 67 R 5.0234 9.1347 125.8699 54.5426 33.7126 174.5309 68 A 5.2844 9.2205 122.4661 50.8374 22.7299 175.4559 69 C 4.9247 9.0567 117.0284 57.4656 32.6188 173.8602 70 L 4.6028 8.8322 122.8157 55.4956 41.7141 177.1756 71 T 4.4465 8.6085 112.6307 60.6328 69.0966 173.7027 72 G 3.9458 7.2557 109.8511 44.9900 0.0000 171.3147 73 P 4.4921 0.0000 0.0000 62.0075 32.1056 176.0098 74 V 3.9477 8.1086 119.9036 63.0274 32.4192 175.3313 75 R 4.5086 9.1265 127.6532 55.1999 31.2863 175.2544 76 A 5.1738 8.6043 125.7448 50.2047 21.9483 175.6344 77 S 4.5811 8.7680 116.6299 57.1944 65.8083 174.0085 78 H 4.8580 8.6867 115.7035 55.7332 28.6514 174.5104 79 N 4.9700 8.8136 117.3268 52.7422 37.6691 175.2451 80 G 3.9528 8.6891 104.8143 46.7869 0.0000 172.9998 81 C 5.5109 7.4723 115.9115 58.0740 32.5506 172.8642 82 G 4.4728 8.8041 105.8199 46.0190 0.0000 172.1607 83 A 5.6120 9.1199 121.9549 50.3968 22.9823 175.0966 84 M 5.2220 9.3006 116.6829 53.4400 35.3383 171.8339 85 P 5.6215 0.0000 0.0000 61.6926 34.2622 173.9184 86 F 5.3169 8.5336 116.1177 56.3675 42.0886 172.3891 87 R 4.8723 9.2251 118.9337 54.4290 33.4202 173.8593 88 V 4.9307 8.7363 125.6661 61.2506 34.1011 173.8861 89 E 5.1593 8.9486 127.8816 55.5138 31.8949 175.3237 90 M 5.0936 8.3161 119.3040 55.7733 35.0477 173.0021 91 V 4.6560 8.3517 117.4385 61.1290 34.2996 174.6982 92 W 4.6505 9.2319 135.0000 56.2186 31.8895 174.6780 93 N 4.1360 9.8416 124.7623 54.2770 35.0645 175.4146 94 G 3.8895 7.9164 104.3261 45.5212 0.0000 171.7405 95 Q 4.4913 7.8055 120.0053 53.4057 29.5359 173.2541 96 P 4.9996 0.0000 0.0000 62.9227 32.8279 175.3807 97 C 5.2595 9.1959 117.6722 57.1684 33.9934 172.2364 98 A 5.1893 8.9223 119.2361 50.2140 22.7438 174.9330 99 L 5.0229 8.8151 121.4584 53.4270 45.5287 175.0078 100 D 5.0537 8.6644 126.5066 53.5202 42.0395 176.1787 101 V 4.6515 8.3367 122.0191 61.2051 35.7109 173.7742 102 I 5.0721 8.6219 125.8333 59.6329 40.6118 174.1263 103 D 5.6739 9.3051 125.4576 52.6099 44.1015 175.1478 104 V 4.6893 9.0054 122.7584 61.4857 34.1488 174.2677 105 M 5.2380 9.3165 126.7027 53.5273 36.5188 174.0661 106 R 5.0411 8.6189 121.6611 54.7555 32.8019 174.8584 107 F 5.3144 9.4879 124.7523 56.0984 41.8729 175.2569 108 D 4.9100 8.6969 121.3300 51.7656 41.5568 176.6368 109 E 4.1563 8.5965 115.4837 58.4207 29.8096 176.7489 110 H 4.6484 8.2997 115.8158 55.5080 29.1349 175.3044 111 G 3.9002 8.3441 107.5027 46.1204 0.0000 173.8043 112 R 4.8256 8.7593 118.1868 53.8404 32.8896 175.2759 113 I 3.5791 8.0833 121.6601 61.1325 37.5531 176.7914 114 Q 4.1245 9.0011 129.7312 58.5901 30.2952 175.7567 115 T 5.2841 7.6356 113.6206 61.9502 73.3736 172.7467 116 M 5.2699 9.0608 123.5040 53.9980 36.1174 173.7952 117 Q 5.1725 9.3285 124.1170 54.0471 32.7243 174.0296 118 A 5.3782 8.9609 126.0825 49.8820 21.4804 174.9156 119 Y 4.7538 9.3709 121.9588 56.6650 39.5843 175.3058 120 W 4.6748 8.1421 120.6159 57.1905 30.5135 173.2470 121 S 4.1749 8.4496 113.2225 57.7327 65.0321 174.6855 122 E 4.1348 8.7752 118.2562 59.6182 29.3675 179.6469 123 V 3.6505 7.3364 110.5030 63.9999 31.8310 176.6273 124 N 4.7065 8.5470 116.1449 53.2264 38.8815 174.1120 125 L 5.0033 7.7037 121.2063 54.2961 43.8011 176.0823 126 S 4.8236 8.8605 120.2421 56.5816 67.4303 173.9288 127 V 4.0571 8.4282 124.7559 62.9451 32.0252 176.2051 128 R 4.2821 9.6146 124.3102 56.6558 31.5253 175.4098 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 2 N 8.42 4.64 0.00 2.71 2.85 0.00 0.00 6.89 6.97 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 3 L 8.31 3.84 0.00 1.68 1.59 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.42 0.00 1.79 1.68 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 5 T 9.07 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 1.18 0.00 0.00 6 A 8.43 3.95 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 7 Q 7.94 3.88 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 8 E 8.04 3.84 0.00 2.17 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 9 V 8.02 3.08 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 1.13 0.00 0.00 0.74 0.00 0.00 10 Q 8.29 4.05 0.00 2.23 2.11 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 2.36 2.57 0.00 11 G 8.05 3.58 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 0.00 0.00 0.00 12 L 8.07 3.99 0.00 1.26 1.72 0.30 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.37 4.18 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.90 0.00 14 A 8.03 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 15 R 8.12 3.87 0.00 1.92 2.05 0.00 3.08 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 16 S 8.10 4.05 0.00 4.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.36 3.62 1.91 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.69 0.83 0.00 0.00 18 E 8.08 3.93 0.00 2.13 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 2.31 2.50 0.00 19 L 8.08 3.93 0.00 1.60 1.64 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.48 3.54 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 0.89 0.00 0.00 0.95 0.00 0.00 21 D 8.06 4.46 0.00 2.92 2.85 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 0.00 0.00 0.00 22 V 7.69 3.97 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 0.77 0.00 0.00 1.03 0.00 0.00 23 G 8.11 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 24 D 7.81 4.57 0.00 2.71 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 25 I 8.00 3.63 1.89 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 1.72 0.69 0.97 0.00 0.00 26 E 8.31 3.92 0.00 2.00 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 2.43 2.43 0.00 27 A 7.90 4.00 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 28 I 7.71 3.67 1.82 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.46 0.19 0.00 0.00 29 V 8.12 3.69 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.07 0.00 0.00 30 Q 8.04 4.07 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.33 4.18 0.00 1.93 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 32 Y 7.35 4.55 0.00 3.22 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 33 A 8.65 4.20 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.94 4.47 0.00 2.86 2.98 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 35 D 7.80 4.98 0.00 2.71 2.79 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 36 A 8.10 4.60 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.60 4.94 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 1.26 0.00 0.00 38 V 8.53 4.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.75 0.00 0.00 39 E 8.94 4.74 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 40 N 8.29 5.05 0.00 2.47 2.17 0.00 0.00 7.28 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 41 P 0.00 4.55 0.00 1.31 0.49 0.00 3.68 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 1.65 1.22 0.00 42 F 8.55 3.90 0.00 2.31 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 43 G 8.14 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.40 4.24 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 45 P 0.00 4.29 0.00 2.03 1.92 0.00 3.65 0.00 0.00 3.56 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 46 P 0.00 4.78 0.00 1.69 1.84 0.00 3.59 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 1.99 2.00 0.00 47 I 8.50 4.62 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.71 0.87 0.00 0.00 48 H 9.17 5.17 0.00 3.04 3.25 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.14 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.55 3.94 0.00 1.92 2.05 0.00 3.18 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 51 E 8.09 3.97 0.00 2.02 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 2.39 2.36 0.00 52 Q 8.03 4.13 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 53 I 7.65 3.84 1.93 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.70 0.00 0.00 54 A 8.66 4.15 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 55 A 7.89 3.94 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 56 F 8.20 3.76 0.00 3.11 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 57 Y 8.14 3.96 0.00 3.18 3.06 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 58 R 8.25 3.87 0.00 1.88 1.99 0.00 3.19 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 1.70 1.91 0.00 59 Q 8.05 4.11 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 60 G 7.44 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.85 4.25 0.00 1.70 1.65 1.07 0.83 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 *65 K 8.40 4.00 0.00 1.82 1.76 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 66 V 8.21 4.67 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 0.95 0.00 0.00 0.97 0.00 0.00 67 R 9.13 5.02 0.00 1.77 1.87 0.00 3.15 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 68 A 9.22 5.28 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 69 C 9.06 4.92 0.00 2.90 2.81 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 70 L 8.83 4.60 0.00 1.56 1.85 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.61 4.45 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 1.28 0.00 0.00 72 G 7.26 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 0.00 0.00 0.00 73 P 0.00 4.49 0.00 2.20 2.07 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 74 V 8.11 3.95 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 0.87 0.00 0.00 0.95 0.00 0.00 75 R 9.13 4.51 0.00 1.98 1.84 0.00 3.28 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 76 A 8.60 5.17 1.13 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 0.00 0.00 77 S 8.77 4.58 0.00 3.86 3.92 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 78 H 8.69 4.86 0.00 3.17 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.81 4.97 0.00 2.76 2.86 0.00 0.00 6.96 6.70 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 80 G 8.69 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 0.00 0.00 0.00 81 C 7.47 5.51 0.00 2.88 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 82 G 8.80 4.47 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 0.00 83 A 9.12 5.61 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 84 M 9.30 5.22 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 85 P 0.00 5.62 0.00 2.16 2.22 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 86 F 8.53 5.32 0.00 3.22 3.16 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 87 R 9.23 4.87 0.00 1.86 1.79 0.00 3.05 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 88 V 8.74 4.93 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 1.04 0.00 0.00 1.06 0.00 0.00 89 E 8.95 5.16 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 90 M 8.32 5.09 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 91 V 8.35 4.66 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 0.86 0.00 0.00 0.96 0.00 0.00 92 W 9.23 4.65 0.00 3.26 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 93 N 9.84 4.14 0.00 2.36 2.60 0.00 0.00 7.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.81 4.49 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 96 P 0.00 5.00 0.00 2.10 1.99 0.00 3.60 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 97 C 9.20 5.26 0.00 3.09 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 98 A 8.92 5.19 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 99 L 8.82 5.02 0.00 1.44 1.18 0.92 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.66 5.05 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.34 4.65 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 1.14 0.00 0.00 0.45 0.00 0.00 102 I 8.62 5.07 1.90 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 1.26 0.71 0.99 0.00 0.00 103 D 9.31 5.67 0.00 2.93 2.69 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 0.00 104 V 9.01 4.69 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 1.15 0.00 0.00 0.96 0.00 0.00 105 M 9.32 5.24 0.00 1.36 1.85 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 106 R 8.62 5.04 0.00 1.88 1.73 0.00 3.09 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 107 F 9.49 5.31 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.70 4.91 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 4.16 0.00 2.03 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 0.00 2.00 2.18 0.00 110 H 8.30 4.65 0.00 3.31 3.40 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.34 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.76 4.83 0.00 2.16 1.83 0.00 3.16 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 113 I 8.08 3.58 0.97 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.21 0.54 0.00 0.00 114 Q 9.00 4.12 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 115 T 7.64 5.28 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 1.24 0.00 0.00 116 M 9.06 5.27 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.87 0.00 117 Q 9.33 5.17 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 118 A 8.96 5.38 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 9.37 4.75 0.00 3.04 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 0.00 120 W 8.14 4.67 0.00 3.39 3.09 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 0.00 121 S 8.45 4.17 0.00 3.87 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 0.00 122 E 8.78 4.13 0.00 2.13 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 0.00 2.41 2.43 0.00 123 V 7.34 3.65 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 0.97 0.00 0.00 124 N 8.55 4.71 0.00 3.12 3.02 0.00 0.00 6.42 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.70 5.00 0.00 1.85 1.60 0.81 0.71 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 0.00 126 S 8.86 4.82 0.00 3.87 3.69 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 0.00 127 V 8.43 4.06 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 0.69 0.00 0.00 0.97 0.00 0.00 128 R 9.61 4.28 0.00 1.76 2.13 0.00 3.36 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.