NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3489 8.2033 119.6284 55.7689 30.6681 173.3718 4 L 4.8067 8.5523 124.3788 52.2153 43.8448 174.2507 5 Q 4.4717 9.6205 126.1618 54.5866 30.7689 173.7151 6 E 5.1258 8.7099 127.8188 55.5698 31.5547 174.7905 7 S 4.5111 9.3296 117.9338 58.1483 67.0346 174.1944 8 G 3.9822 8.3102 106.1192 44.2903 0.0000 171.6484 9 G 3.5889 7.8177 104.8346 43.3707 0.0000 169.6969 10 G 3.6712 8.0467 103.8969 43.9161 0.0000 171.6098 11 L 5.2065 8.2796 121.1103 53.5228 43.5896 177.2550 12 V 4.5735 8.5439 124.4513 60.0204 35.3451 173.9862 13 Q 4.6382 8.9271 123.4194 54.9547 30.3664 175.1049 14 A 4.2423 8.5427 128.7775 54.3230 18.8163 177.9347 15 G 3.9598 9.4847 111.3877 45.0801 0.0000 173.9320 16 G 4.0292 7.9160 106.8954 45.5832 0.0000 172.6452 17 S 5.4435 8.4077 113.8067 56.7735 67.1594 173.6289 18 L 4.6388 8.5818 120.8628 53.0875 46.3748 175.1893 19 R 4.7797 8.3993 122.0759 54.6187 32.0820 174.8243 20 L 4.7782 8.4829 126.6678 53.6426 44.3018 175.7519 21 S 5.4524 8.9618 116.0048 57.6735 67.8546 172.2337 22 C 5.6197 9.6719 119.8365 56.4954 45.7071 172.5036 23 A 5.1715 8.3445 123.9688 49.8644 22.5018 176.5636 24 A 5.4161 8.7395 127.6055 51.3515 17.5420 181.0707 *31 S 4.0790 8.8182 114.3753 60.1573 62.9319 171.9976 32 F 5.0963 7.6168 120.5348 55.4835 40.8187 173.4774 33 A 4.4664 8.5237 122.5309 51.9855 19.9464 175.9980 34 M 5.0905 8.9610 122.1602 54.0714 34.3177 175.2252 35 G 4.6128 9.2365 112.7669 44.1777 0.0000 171.5194 36 W 5.4682 8.8808 119.6724 54.7269 32.9343 174.8702 37 F 5.4436 9.6986 122.2293 55.6343 42.9326 174.1169 38 R 5.0517 9.2372 117.2036 54.6440 33.1228 174.3692 39 Q 4.7715 9.2530 121.7917 54.9489 32.6186 173.0699 40 A 5.1242 8.5870 127.9333 49.0993 22.2379 173.7270 41 P 4.3538 0.0000 0.0000 64.5005 31.8168 177.1700 42 G 4.0310 9.0961 110.5668 45.0437 0.0000 173.2676 43 K 4.6659 7.5185 118.0024 53.8623 34.9348 175.7227 44 E 4.0440 8.5683 122.4057 55.9168 30.2222 176.6040 45 R 4.3104 8.5342 125.4177 57.1976 30.9329 175.2422 46 E 4.9719 9.3216 124.5871 54.1462 33.1091 175.3141 47 F 3.9117 9.2701 126.1715 58.8775 39.9612 173.4334 48 V 4.1491 7.4671 123.0135 63.3074 33.5083 174.8073 49 A 4.6349 6.3951 119.2368 51.1002 22.5448 174.3066 50 S 5.2899 8.9853 113.6494 57.2908 67.4226 172.7068 51 I 5.2334 8.8307 120.0475 59.3530 41.7351 174.5101 52 S 4.7538 9.0044 123.1412 57.5454 63.8542 174.9613 53 R 3.7475 8.8237 121.6880 59.6397 29.7610 178.0627 54 S 4.1065 7.9781 110.8878 59.5571 63.0530 175.2879 55 G 3.9726 8.2654 108.2424 45.4740 0.0000 173.7044 56 T 4.3775 7.5679 108.3159 61.4238 70.1734 174.5378 57 L 4.9653 7.8775 123.1975 53.0380 44.2073 175.7736 58 T 5.1715 8.5309 112.5524 59.9457 72.4727 173.0202 59 R 4.7422 8.6340 121.6294 54.9399 33.7751 173.2706 60 Y 5.2603 8.6650 122.2892 55.8234 41.2809 175.4362 61 A 4.3820 9.0378 125.5426 52.0138 19.3949 178.1358 62 D 4.3730 9.1503 119.6642 57.7243 40.9615 179.6252 63 S 3.9925 8.0028 110.5054 59.7407 63.7436 174.5362 64 A 3.2283 7.7574 124.0786 52.9133 19.5835 177.5377 65 K 3.6501 7.0280 115.4247 58.4336 32.2728 177.4339 66 G 3.9346 9.0149 112.5518 45.0362 0.0000 173.5405 67 R 4.6354 7.3892 112.9019 55.1860 31.7239 174.8322 68 F 5.5954 8.1928 117.8808 56.1094 41.8984 175.3310 69 T 4.8141 8.9287 117.7183 61.9862 72.1844 172.6411 70 I 5.0423 9.1216 127.5058 59.5378 39.8029 174.6784 71 S 4.8088 9.0373 122.1265 57.0656 67.0060 172.6188 72 V 4.7721 8.3079 120.1215 61.1955 33.9996 174.2915 73 D 4.7168 8.7330 128.0759 53.0355 41.3012 176.7627 74 N 4.4456 8.8962 124.2944 55.6169 39.1663 176.9199 75 A 4.1374 8.2543 120.6672 54.7267 18.6576 178.4111 76 K 4.2084 8.3936 112.3820 56.0408 33.0852 176.2197 77 N 4.1818 7.8449 116.0754 54.9728 36.5614 173.0764 78 T 4.9481 7.4375 106.4993 59.8801 73.2855 174.0004 79 V 5.0396 9.0272 121.6645 61.3172 34.9777 174.3536 80 S 5.2588 9.2821 122.8599 56.6014 66.7468 172.9650 81 L 4.6400 8.3406 125.4373 53.2056 44.0513 174.7527 82 Q 4.3889 8.9369 129.5501 55.2225 30.7176 174.1737 83 M 4.2185 8.8418 126.7639 53.6702 34.1704 174.8587 84 D 5.0015 8.7494 123.6134 51.3657 43.5215 175.8296 85 N 4.2498 8.4853 115.7098 54.7802 37.3758 174.3128 86 L 4.5198 7.9394 117.9359 54.9634 42.9205 176.5450 87 N 5.3077 9.4766 117.9183 50.4926 40.8643 173.7774 88 P 4.3489 0.0000 0.0000 65.5396 31.4569 178.5322 89 D 4.5473 8.3913 117.1607 56.5324 40.7064 176.8069 90 D 4.7892 8.2146 118.0522 55.1567 41.3584 176.7631 91 T 4.3474 7.8208 116.8569 63.9291 68.8367 173.5973 92 A 4.3467 8.7038 127.1496 51.5744 23.7988 174.8864 93 V 4.3577 8.0963 119.8110 62.7326 32.9773 174.3261 94 Y 5.1263 9.1638 126.0984 56.5970 40.3066 174.2514 95 Y 5.4883 9.6298 121.9053 56.3477 41.5889 172.8285 96 C 4.1719 8.7502 117.4433 54.6618 42.1871 172.1225 97 A 4.5474 8.1407 120.3198 50.4079 22.6021 174.8074 98 A 4.9273 8.5099 122.2860 50.1078 21.9363 175.3248 99 D 4.5953 9.1009 123.4315 52.3513 41.5098 176.9678 100 L 4.2003 8.2349 125.9877 56.9793 41.9800 178.3712 101 H 4.4968 8.2497 115.2602 57.3728 29.0461 175.9748 102 R 4.5048 7.4994 118.6979 53.3218 29.9480 174.0626 103 P 4.3376 0.0000 0.0000 64.3699 32.1781 177.4208 104 Y 4.7622 7.6318 114.8756 59.3619 40.2276 176.3981 105 G 4.1636 7.9706 105.8309 44.2641 0.0000 171.2214 106 P 4.6752 0.0000 0.0000 62.0964 32.2676 176.6952 107 G 4.4535 8.3173 108.1690 46.0492 0.0000 173.7901 108 T 4.3129 8.2217 112.3874 60.7414 69.9892 174.6010 109 Q 2.8721 8.0497 118.5932 56.1165 29.0612 176.4311 110 R 4.5082 8.0148 119.5526 54.6827 30.4727 176.9144 111 S 3.7880 9.0645 119.1450 61.4432 62.3721 176.0733 112 D 4.5791 8.1156 118.1772 56.7844 40.6692 177.0722 113 E 4.1404 8.2707 117.6105 57.7217 30.0958 176.0487 114 Y 4.5010 8.2525 118.1392 56.5169 38.9836 175.7960 115 D 4.9698 8.2039 124.1243 54.1283 42.2448 176.2314 116 S 4.8550 7.5318 114.2525 56.1180 65.7491 172.4876 117 W 5.2533 8.7184 125.1947 54.6146 32.6305 175.3487 118 G 4.0766 9.1526 112.2159 45.9721 0.0000 173.6451 119 Q 4.3376 8.8334 116.9568 56.6437 29.2678 177.2466 120 G 3.6245 8.9532 104.7265 46.0467 0.0000 172.6995 121 T 4.6520 8.1923 114.3144 59.8708 71.3858 172.6674 122 Q 4.5932 8.7309 129.5224 56.0351 30.6601 174.3924 123 V 4.8458 9.0663 126.6059 61.4273 34.4228 174.1973 124 T 4.8803 8.9208 124.0716 61.7038 72.1867 172.9585 125 V 4.8183 8.6189 127.0388 60.9678 33.1674 175.5522 126 S 4.4292 8.9379 122.9005 58.6047 63.2674 174.1656 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 Q 8.20 4.35 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 4 L 8.55 4.81 0.00 1.54 1.51 0.73 0.47 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 5 Q 9.62 4.47 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 6 E 8.71 5.13 0.00 2.05 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 2.39 2.62 0.00 7 S 9.33 4.51 0.00 3.91 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 8 G 8.31 3.98 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 0.00 0.00 0.00 9 G 7.82 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 10 G 8.05 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 11 L 8.28 5.21 0.00 1.63 1.55 0.97 0.81 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 12 V 8.54 4.57 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 0.67 0.00 0.00 0.94 0.00 0.00 13 Q 8.93 4.64 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.04 0.00 0.00 0.00 0.00 0.00 2.42 2.20 0.00 14 A 8.54 4.24 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 15 G 9.48 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 0.00 0.00 0.00 0.00 16 G 7.92 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 17 S 8.41 5.44 0.00 3.68 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 18 L 8.58 4.64 0.00 1.26 1.25 0.75 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.40 4.78 0.00 1.77 1.68 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 20 L 8.48 4.78 0.00 0.82 1.46 0.52 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.96 5.45 0.00 3.78 3.78 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 22 C 9.67 5.62 0.00 2.96 2.87 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 23 A 8.34 5.17 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 24 A 8.74 5.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 S 8.82 4.08 0.00 3.82 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 32 F 7.62 5.10 0.00 2.97 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 33 A 8.52 4.47 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 34 M 8.96 5.09 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 35 G 9.24 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.88 5.47 0.00 3.09 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 37 F 9.70 5.44 0.00 3.28 3.13 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 38 R 9.24 5.05 0.00 0.99 0.87 0.00 2.48 0.00 0.00 2.94 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 39 Q 9.25 4.77 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 40 A 8.59 5.12 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 41 P 0.00 4.35 0.00 2.06 2.04 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 42 G 9.10 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 43 K 7.52 4.67 0.00 1.88 1.72 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81 44 E 8.57 4.04 0.00 1.95 1.89 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 2.34 2.33 0.00 45 R 8.53 4.31 0.00 1.99 1.87 0.00 3.12 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 1.87 1.94 0.00 46 E 9.32 4.97 0.00 1.95 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 0.00 2.28 2.46 0.00 47 F 9.27 3.91 0.00 3.11 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 48 V 7.47 4.15 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 1.24 0.00 0.00 1.02 0.00 0.00 49 A 6.40 4.63 1.08 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 0.00 0.00 50 S 8.99 5.29 0.00 4.20 4.38 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 51 I 8.83 5.23 1.92 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 1.31 1.52 1.05 0.00 0.00 52 S 9.00 4.75 0.00 4.12 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 53 R 8.82 3.75 0.00 1.77 1.99 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 54 S 7.98 4.11 0.00 4.03 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 55 G 8.27 3.97 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 0.00 0.00 0.00 56 T 7.57 4.38 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 1.22 0.00 0.00 57 L 7.88 4.97 0.00 1.66 1.61 0.95 0.45 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 58 T 8.53 5.17 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 1.22 0.00 0.00 59 R 8.63 4.74 0.00 1.91 1.92 0.00 2.99 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 60 Y 8.66 5.26 0.00 2.92 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 61 A 9.04 4.38 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 0.00 0.00 0.00 0.00 0.00 62 D 9.15 4.37 0.00 2.74 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 63 S 8.00 3.99 0.00 3.90 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 0.00 64 A 7.76 3.23 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 65 K 7.03 3.65 0.00 1.60 1.72 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.55 1.72 7.81 66 G 9.01 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 67 R 7.39 4.64 0.00 2.02 2.05 0.00 3.10 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.17 0.00 68 F 8.19 5.60 0.00 2.83 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 69 T 8.93 4.81 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 1.28 0.00 0.00 70 I 9.12 5.04 1.87 0.00 0.00 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 1.38 1.11 0.82 0.00 0.00 71 S 9.04 4.81 0.00 3.92 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 72 V 8.31 4.77 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 0.91 0.00 0.00 0.95 0.00 0.00 73 D 8.73 4.72 0.00 2.80 2.57 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 74 N 8.90 4.45 0.00 2.75 2.86 0.00 0.00 7.14 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 75 A 8.25 4.14 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 76 K 8.39 4.21 0.00 1.78 1.88 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.52 7.81 77 N 7.84 4.18 0.00 2.88 2.85 0.00 0.00 6.73 7.57 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 78 T 7.44 4.95 4.31 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 1.28 0.00 0.00 79 V 9.03 5.04 2.30 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 1.37 0.00 0.00 1.01 0.00 0.00 80 S 9.28 5.26 0.00 3.75 3.64 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 81 L 8.34 4.64 0.00 0.27 0.17 0.68 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.94 4.39 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.51 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 83 M 8.84 4.22 0.00 0.90 1.42 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 0.00 84 D 8.75 5.00 0.00 2.76 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 85 N 8.49 4.25 0.00 2.79 2.84 0.00 0.00 7.04 7.78 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 86 L 7.94 4.52 0.00 1.84 1.59 0.81 0.46 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 87 N 9.48 5.31 0.00 2.85 2.88 0.00 0.00 7.18 7.62 0.00 0.00 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 P 0.00 4.35 0.00 2.22 2.17 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 89 D 8.39 4.55 0.00 2.91 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 90 D 8.21 4.79 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 91 T 7.82 4.35 4.38 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 1.26 0.00 0.00 92 A 8.70 4.35 1.11 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 0.00 0.00 0.00 0.00 0.00 93 V 8.10 4.36 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 0.56 0.00 0.00 0.99 0.00 0.00 94 Y 9.16 5.13 0.00 2.90 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 95 Y 9.63 5.49 0.00 3.24 3.22 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 96 C 8.75 4.17 0.00 1.99 1.18 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 97 A 8.14 4.55 -0.46 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 98 A 8.51 4.93 0.13 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 99 D 9.10 4.60 0.00 1.58 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 0.00 0.00 0.00 0.00 100 L 8.23 4.20 0.00 1.57 1.67 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.25 4.50 0.00 3.13 3.25 0.00 5.61 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 0.00 102 R 7.50 4.50 0.00 1.74 1.76 0.00 3.17 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 103 P 0.00 4.34 0.00 1.37 1.85 0.00 3.47 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.50 0.00 104 Y 7.63 4.76 0.00 2.88 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 0.00 105 G 7.97 4.16 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 0.00 0.00 0.00 106 P 0.00 4.68 0.00 2.13 2.25 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 107 G 8.32 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.22 4.31 4.20 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 1.16 0.00 0.00 109 Q 8.05 2.87 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 110 R 8.01 4.51 0.00 1.97 1.96 0.00 3.17 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 111 S 9.06 3.79 0.00 3.48 3.80 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 0.00 112 D 8.12 4.58 0.00 2.75 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 0.00 113 E 8.27 4.14 0.00 2.03 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 2.37 2.40 0.00 114 Y 8.25 4.50 0.00 2.77 2.40 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 0.00 115 D 8.20 4.97 0.00 2.54 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 0.00 116 S 7.53 4.86 0.00 3.69 3.34 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 0.00 117 W 8.72 5.25 0.00 3.07 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 0.00 118 G 9.15 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 0.00 0.00 0.00 119 Q 8.83 4.34 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 120 G 8.95 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.19 4.65 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 1.35 0.00 0.00 122 Q 8.73 4.59 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 123 V 9.07 4.85 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 0.78 0.00 0.00 0.57 0.00 0.00 124 T 8.92 4.88 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 0.00 125 V 8.62 4.82 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 0.84 0.00 0.00 0.95 0.00 0.00 126 S 8.94 4.43 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.