NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4049 8.0433 122.6805 54.8977 43.1160 174.9812 4 I 4.6584 8.4066 125.9136 57.7740 39.0409 169.9447 5 V 4.3330 9.3332 128.5014 61.1066 34.4883 173.6971 6 N 4.9488 8.9258 126.3469 52.5516 40.0393 174.3979 7 V 4.7291 8.7843 125.5639 61.5272 33.3258 174.3158 8 I 5.0006 8.8198 129.9634 59.5687 39.9540 174.5327 9 N 5.4612 9.3049 124.7815 51.7343 41.1017 175.2397 10 G 4.3372 8.9519 113.8493 43.8447 0.0000 171.0401 11 P 4.7989 0.0000 0.0000 63.6812 31.7959 176.6166 12 N 4.4344 9.0769 116.7322 53.8232 36.5654 175.6954 13 L 4.3265 7.5383 116.8272 55.8276 42.1017 177.8900 14 G 3.6881 7.9829 106.2969 46.8428 0.0000 174.2780 15 R 4.5113 7.3587 118.4443 55.7519 30.3765 176.5756 16 L 4.0562 7.6355 119.1517 56.1674 42.0928 177.6317 17 G 4.1364 10.0878 109.7958 45.9647 0.0000 174.7031 18 R 4.5908 7.5642 114.0112 54.2265 30.0004 175.1131 *25 G 3.9371 7.7387 109.2134 46.8013 0.0000 172.7858 26 G 3.6886 8.5934 115.7232 45.7422 0.0000 172.9321 27 T 4.3933 7.3550 118.1846 61.7605 69.8357 175.6846 28 T 4.7966 8.1011 118.4578 60.7366 71.4782 175.1216 29 H 4.1690 8.6067 119.8146 59.1513 29.8350 176.7832 30 D 4.3349 8.0547 120.5060 57.4963 40.6757 178.4666 31 E 4.0031 7.9090 118.4896 58.9677 29.3935 179.1772 32 L 3.8088 7.7156 120.7713 58.0031 42.1381 179.1259 33 V 3.4237 7.6625 117.9855 65.8512 31.2842 177.8392 34 A 3.9647 7.8072 120.4692 55.2207 18.2098 179.6819 35 L 3.9543 8.1348 117.7013 57.7848 41.6196 179.8880 36 I 3.7058 7.7965 119.8155 64.4946 37.1513 178.3797 37 E 3.9383 8.2196 119.4127 59.1424 29.0616 179.4659 38 R 3.8318 7.7250 119.0252 59.5087 29.7419 178.2995 39 E 3.9666 8.0811 118.4850 58.9396 29.5966 178.5852 40 A 3.8453 8.2578 120.9333 55.1020 18.3558 179.4541 41 A 4.0327 7.9415 119.2271 55.2805 18.2698 179.2646 42 E 4.1688 7.9180 114.7822 57.8433 29.6591 178.0393 43 L 4.7131 7.1667 117.1463 53.3777 43.0687 176.2711 44 G 3.8368 7.9251 106.9860 46.5674 0.0000 173.4101 45 L 4.9842 8.2316 117.9159 52.2767 45.6682 176.5535 46 K 4.4463 8.5472 122.3340 54.7698 34.0428 174.6598 47 A 4.8818 8.5307 130.1855 50.9745 20.1043 176.3255 48 V 3.9819 8.6867 124.1070 61.4815 32.9163 174.7036 49 V 4.5852 8.1131 128.8167 61.5137 32.4901 175.1635 50 R 4.5247 8.9120 126.7303 54.3182 34.2095 174.1686 51 Q 5.2053 8.5377 122.1724 54.8630 32.4309 173.9511 52 S 4.7740 8.9902 118.3640 57.6532 66.2959 174.6417 53 D 4.6287 8.9092 124.3122 55.2856 41.6411 175.8523 54 S 4.7212 7.6942 115.0718 56.8172 63.6557 173.9355 55 E 3.8399 8.7014 129.5247 59.3928 29.6420 178.4712 56 A 3.8832 7.8949 120.2892 55.2026 18.4914 179.2816 57 Q 3.4382 7.4809 116.7060 59.0940 28.9917 178.3975 58 L 4.0021 7.4988 119.8607 57.6537 41.7391 179.4253 59 L 3.8693 8.0666 119.3187 57.8319 41.6326 179.1247 60 D 4.4194 7.8099 117.4582 57.0547 40.9851 178.3522 61 W 4.5377 7.9988 119.6506 59.7180 29.1059 178.4136 62 I 3.9808 7.8577 112.4620 63.7122 37.3083 178.0065 63 H 4.3209 8.0562 118.1249 58.9998 28.5421 177.6482 64 Q 4.0642 8.2272 119.4447 58.9890 28.5940 178.7273 65 A 4.0733 8.0257 121.4962 54.8371 18.1223 179.5878 66 A 4.0070 7.8612 119.0378 55.4113 18.5323 179.2404 67 D 4.4666 7.9897 115.8373 56.5852 41.1057 177.8577 68 A 4.3371 8.1005 118.4825 50.8612 19.6396 176.4753 69 A 3.7344 7.8971 118.7757 53.1298 16.3273 176.7152 70 E 4.7500 7.9578 118.5072 54.8856 31.8091 175.7688 71 P 4.6455 0.0000 0.0000 62.9651 33.0453 175.2627 72 V 4.8870 8.4798 121.7491 61.2680 34.7878 174.2411 73 I 4.7156 9.1016 129.3856 59.9038 38.8768 174.1640 74 L 5.0695 8.9589 130.6198 53.1546 44.6919 174.5877 75 N 5.3540 9.3951 125.0117 51.0409 39.8118 174.4931 76 A 4.3322 8.7048 128.9727 51.9722 20.4928 178.3786 77 G 4.0891 7.9846 105.4805 46.1588 0.0000 177.6031 78 G 3.8103 8.7154 110.3011 48.2328 0.0000 175.0078 79 L 4.2364 7.6202 120.3415 56.9478 41.3890 179.2537 80 T 3.8704 7.7333 115.9411 66.7270 68.1907 175.2619 81 H 4.8817 7.8085 115.5691 56.4208 29.4317 175.9328 82 T 4.5294 7.8195 109.8332 61.9819 71.0159 173.3337 83 S 4.5505 8.4147 118.0734 56.7919 62.1017 174.5117 84 V 3.3267 7.9432 128.5009 65.4360 31.4164 177.4704 85 A 3.9214 7.8061 120.2976 55.1220 18.2287 179.2254 86 L 3.9122 7.9395 118.8213 57.9906 42.1949 179.1312 87 R 3.8796 7.5835 117.3657 59.6630 29.8685 178.2185 88 D 4.3815 8.1549 117.3280 57.3517 41.0124 178.4774 89 A 4.1948 7.9383 120.8355 55.3197 18.2938 179.4531 90 C 4.2310 8.3823 114.6582 62.3268 27.9034 175.9500 91 A 4.0747 7.5901 121.2999 54.6518 18.0045 178.5112 92 E 4.0135 7.8906 116.0035 58.6676 29.8212 177.1682 93 L 4.0740 7.4450 119.3643 54.9486 41.5416 177.1677 94 S 4.2552 8.6873 119.3079 60.5130 63.7093 174.6456 95 A 4.4181 7.6930 121.2743 50.3646 19.6467 175.6269 96 P 4.4341 0.0000 0.0000 63.0695 33.0220 175.3441 97 L 5.2129 8.7953 123.6634 53.4571 45.4103 174.9930 98 I 4.8342 8.6995 127.2243 59.4248 39.9307 174.2333 99 E 4.6724 9.0578 129.4066 55.4641 30.8696 175.1392 100 V 4.7340 8.8370 126.9532 61.3335 34.9345 173.8286 101 H 4.8077 9.1520 123.8599 54.2230 32.2031 174.3168 102 I 3.9440 8.7162 124.5516 64.3833 37.8755 176.9227 103 S 4.5813 7.9082 114.1885 56.8920 64.6027 173.4779 104 N 4.5736 8.3131 119.4232 52.4300 37.6429 175.6542 105 V 3.5629 8.1592 120.5622 64.4831 31.8061 178.1517 106 H 4.3191 7.9979 114.2400 57.0025 28.7369 175.6447 107 A 4.5784 7.7265 121.4322 52.0152 20.0260 178.0362 108 R 4.5798 6.9550 115.4595 56.2623 30.3464 176.9701 109 E 4.1165 8.1581 125.2136 56.6790 30.4044 177.4933 110 E 3.8984 8.5057 120.5362 59.4006 29.6956 179.5127 111 F 4.4130 7.6417 112.2031 58.9802 38.2115 176.2809 112 R 3.6846 6.7138 119.3477 57.5348 30.0270 177.3029 113 R 4.0904 7.5123 115.9052 56.7318 30.4697 175.5620 114 H 4.8651 7.9511 118.0450 54.0077 31.8952 172.8817 115 S 4.7604 7.9915 120.0497 56.6044 64.8905 173.4304 116 Y 4.3085 8.5720 124.7620 60.2965 38.3885 177.0482 117 L 4.2887 7.9211 119.5550 57.1875 42.4207 178.9727 118 S 4.1946 7.9931 114.3755 61.2636 62.9450 174.1541 119 P 4.3846 0.0000 0.0000 65.1615 31.1187 177.3059 120 I 4.0398 7.6261 108.4357 61.2334 38.3022 175.6364 121 A 4.3301 7.5117 124.2269 52.1815 19.1624 177.8167 122 T 4.1374 8.8383 117.1077 66.3568 68.9683 175.5230 123 G 4.1491 7.6575 105.9635 44.8552 0.0000 171.3473 124 V 4.9188 8.0868 118.8291 60.9734 34.6412 174.3749 125 I 4.5299 9.1724 128.7534 59.4848 39.7755 174.7834 126 V 4.6660 8.1160 126.0269 62.2277 34.2987 175.5767 127 G 3.9282 8.9814 115.3302 45.8773 0.0000 173.5322 128 L 4.4040 7.7790 117.8543 53.9346 42.2973 178.6341 129 G 3.9076 7.9948 109.3626 45.6862 0.0000 174.8927 130 I 4.0940 8.2301 111.5644 63.6533 37.7662 177.3574 131 Q 4.2981 8.2039 120.8229 58.0262 28.9854 177.7156 132 G 3.5899 7.9404 106.7343 48.3339 0.0000 175.3817 133 Y 4.1033 7.8802 118.4905 60.9958 37.9126 178.5693 134 L 4.0952 7.9924 119.4886 57.7962 41.8752 179.3929 135 L 4.0946 8.1313 118.7952 57.5110 41.2691 179.3951 136 A 4.0609 7.7222 119.8849 55.0111 18.2462 179.3507 137 L 4.1370 8.0355 117.6592 57.9965 41.5892 179.7200 138 R 3.9294 8.1900 118.7115 59.4728 29.5490 177.8765 139 Y 4.0918 8.1096 119.4336 60.7040 38.7252 177.9288 140 L 4.1050 7.9273 118.5106 56.7514 41.5053 179.1498 141 A 3.9669 7.4133 121.0107 54.8265 18.4635 178.1367 142 E 4.1213 7.5747 112.9206 57.4097 30.0698 176.5931 143 H 4.3285 7.4153 121.2073 55.7426 29.0384 173.9186 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 3 L 8.04 4.40 0.00 1.36 1.65 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.41 4.66 1.86 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 1.22 1.14 0.93 0.00 0.00 5 V 9.33 4.33 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 1.09 0.00 0.00 0.95 0.00 0.00 6 N 8.93 4.95 0.00 2.80 2.68 0.00 0.00 6.07 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 7 V 8.78 4.73 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 1.00 0.00 0.00 0.94 0.00 0.00 8 I 8.82 5.00 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 1.21 0.00 0.00 9 N 9.30 5.46 0.00 2.70 2.78 0.00 0.00 6.44 8.44 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 10 G 8.95 4.34 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 0.00 11 P 0.00 4.80 0.00 2.08 2.03 0.00 4.07 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 12 N 9.08 4.43 0.00 2.97 3.00 0.00 0.00 7.06 6.74 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 13 L 7.54 4.33 0.00 1.88 1.79 1.15 0.97 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 14 G 7.98 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 0.00 0.00 0.00 15 R 7.36 4.51 0.00 1.97 1.96 0.00 3.35 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 16 L 7.64 4.06 0.00 1.75 1.84 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17 G 10.09 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 0.00 0.00 0.00 18 R 7.56 4.59 0.00 1.89 1.95 0.00 3.08 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 *25 G 7.74 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 0.00 0.00 0.00 26 G 8.59 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 0.00 0.00 0.00 27 T 7.35 4.39 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 1.20 0.00 0.00 28 T 8.10 4.80 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 29 H 8.61 4.17 0.00 3.20 3.33 0.00 5.68 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 30 D 8.05 4.33 0.00 2.72 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 31 E 7.91 4.00 0.00 2.15 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 2.31 2.30 0.00 32 L 7.72 3.81 0.00 1.78 1.63 0.71 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.66 3.42 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 0.92 0.00 0.00 0.78 0.00 0.00 34 A 7.81 3.96 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 35 L 8.13 3.95 0.00 1.80 1.71 0.91 0.91 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 36 I 7.80 3.71 1.81 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.54 0.86 0.00 0.00 37 E 8.22 3.94 0.00 2.04 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 2.28 2.34 0.00 38 R 7.73 3.83 0.00 2.00 2.06 0.00 3.08 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 39 E 8.08 3.97 0.00 2.27 1.93 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 2.32 2.38 0.00 40 A 8.26 3.85 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 41 A 7.94 4.03 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 42 E 7.92 4.17 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 2.34 2.48 0.00 43 L 7.17 4.71 0.00 1.53 1.66 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.93 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 0.00 0.00 0.00 45 L 8.23 4.98 0.00 1.52 1.54 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.55 4.45 0.00 1.83 1.65 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.33 7.81 47 A 8.53 4.88 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 48 V 8.69 3.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.87 0.00 0.00 49 V 8.11 4.59 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 0.68 0.00 0.00 0.82 0.00 0.00 50 R 8.91 4.52 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.64 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.04 0.00 51 Q 8.54 5.21 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.07 0.00 52 S 8.99 4.77 0.00 3.89 3.47 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 53 D 8.91 4.63 0.00 2.74 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 54 S 7.69 4.72 0.00 3.84 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.70 3.84 0.00 2.04 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 2.33 2.35 0.00 56 A 7.89 3.88 1.24 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 0.00 0.00 0.00 57 Q 7.48 3.44 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 58 L 7.50 4.00 0.00 1.85 1.74 0.94 0.83 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 59 L 8.07 3.87 0.00 1.76 1.60 0.89 1.11 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 60 D 7.81 4.42 0.00 2.82 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 61 W 8.00 4.54 0.00 3.64 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 62 I 7.86 3.98 1.90 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 1.79 0.76 0.98 0.00 0.00 63 H 8.06 4.32 0.00 3.50 3.39 0.00 5.64 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 64 Q 8.23 4.06 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 65 A 8.03 4.07 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 66 A 7.86 4.01 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 67 D 7.99 4.47 0.00 2.85 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 68 A 8.10 4.34 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 69 A 7.90 3.73 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 70 E 7.96 4.75 0.00 1.88 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 2.26 2.47 0.00 71 P 0.00 4.65 0.00 2.10 2.01 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 72 V 8.48 4.89 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 1.10 0.00 0.00 1.01 0.00 0.00 73 I 9.10 4.72 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 1.01 0.00 0.00 74 L 8.96 5.07 0.00 1.75 1.50 1.02 0.25 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 75 N 9.40 5.35 0.00 2.81 3.02 0.00 0.00 6.96 7.82 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 76 A 8.70 4.33 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 77 G 7.98 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 78 G 8.72 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 79 L 7.62 4.24 0.00 1.94 1.76 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.73 3.87 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 1.25 0.00 0.00 81 H 7.81 4.88 0.00 3.22 3.45 0.00 5.59 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 82 T 7.82 4.53 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 83 S 8.41 4.55 0.00 3.85 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 84 V 7.94 3.33 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 0.93 0.00 0.00 0.19 0.00 0.00 85 A 7.81 3.92 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 86 L 7.94 3.91 0.00 1.77 1.66 0.92 0.86 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 87 R 7.58 3.88 0.00 2.00 2.07 0.00 3.37 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 1.65 1.89 0.00 88 D 8.15 4.38 0.00 2.80 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 89 A 7.94 4.19 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 90 C 8.38 4.23 0.00 3.20 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 91 A 7.59 4.07 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 92 E 7.89 4.01 0.00 2.17 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 0.00 2.36 2.31 0.00 93 L 7.45 4.07 0.00 1.71 1.67 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.69 4.26 0.00 3.99 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 95 A 7.69 4.42 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 96 P 0.00 4.43 0.00 2.18 2.11 0.00 3.57 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 2.15 2.13 0.00 97 L 8.80 5.21 0.00 1.75 1.47 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.70 4.83 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.37 0.81 0.00 0.00 99 E 9.06 4.67 0.00 2.01 1.78 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 2.21 2.20 0.00 100 V 8.84 4.73 1.68 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 0.17 0.00 0.00 0.68 0.00 0.00 101 H 9.15 4.81 0.00 2.97 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.72 3.94 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.63 0.93 0.00 0.00 103 S 7.91 4.58 0.00 3.97 3.88 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 0.00 104 N 8.31 4.57 0.00 2.74 2.76 0.00 0.00 6.87 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 0.00 105 V 8.16 3.56 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 0.54 0.00 0.00 0.60 0.00 0.00 106 H 8.00 4.32 0.00 3.22 3.30 0.00 5.64 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 0.00 107 A 7.73 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 0.00 108 R 6.96 4.58 0.00 1.60 1.41 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 109 E 8.16 4.12 0.00 1.16 1.41 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 2.37 2.27 0.00 110 E 8.51 3.90 0.00 1.98 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 2.36 2.23 0.00 111 F 7.64 4.41 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 6.71 3.68 0.00 1.58 1.77 0.00 2.91 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 0.00 113 R 7.51 4.09 0.00 1.93 1.98 0.00 3.09 0.00 0.00 3.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 114 H 7.95 4.87 0.00 2.98 3.13 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.99 4.76 0.00 3.77 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.57 4.31 0.00 3.16 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 0.00 117 L 7.92 4.29 0.00 1.89 1.72 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.99 4.19 0.00 3.85 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 0.00 119 P 0.00 4.38 0.00 2.07 2.13 0.00 3.74 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 2.08 0.00 120 I 7.63 4.04 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.94 0.00 0.00 121 A 7.51 4.33 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 0.00 122 T 8.84 4.14 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 123 G 7.66 4.15 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 0.00 0.00 0.00 124 V 8.09 4.92 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 0.91 0.00 0.00 0.97 0.00 0.00 125 I 9.17 4.53 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.38 0.84 0.00 0.00 126 V 8.12 4.67 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 0.85 0.00 0.00 0.94 0.00 0.00 127 G 8.98 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 0.00 0.00 0.00 128 L 7.78 4.40 0.00 1.62 1.68 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.23 4.09 1.97 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 1.57 0.52 1.01 0.00 0.00 131 Q 8.20 4.30 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 7.94 3.59 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 0.00 133 Y 7.88 4.10 0.00 3.24 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 0.00 134 L 7.99 4.10 0.00 1.83 1.75 0.95 0.69 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 0.00 135 L 8.13 4.09 0.00 1.71 1.73 0.92 1.07 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 0.00 136 A 7.72 4.06 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 0.00 137 L 8.04 4.14 0.00 2.00 1.76 0.95 0.86 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 0.00 138 R 8.19 3.93 0.00 2.03 2.14 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 139 Y 8.11 4.09 0.00 3.16 3.14 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 0.00 140 L 7.93 4.11 0.00 1.94 1.72 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.41 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 0.00 142 E 7.57 4.12 0.00 1.86 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 2.28 2.26 0.00 143 H 7.42 4.33 0.00 2.97 3.08 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.