NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 E 4.3073 8.3033 121.4697 56.6095 32.1916 177.7361 14 T 3.7056 7.7539 114.6288 65.1774 68.6151 175.2835 15 T 3.8681 8.6483 112.4786 64.7489 69.1824 175.5337 16 E 3.8990 8.2487 120.7923 59.3018 29.6769 179.1716 17 A 3.9717 8.0610 120.4157 55.1301 18.3562 179.7083 18 I 3.6144 7.7551 118.3203 64.7174 37.1487 178.9762 19 R 3.8642 8.3483 118.9724 58.9482 29.7445 178.9337 20 A 3.9348 8.1141 120.8162 55.0812 18.3478 179.9207 21 V 3.1672 7.5148 116.3132 65.9235 31.4766 178.0134 22 E 3.8081 8.1965 118.1822 59.3997 29.2765 179.0924 23 A 3.9046 8.1930 121.0182 55.1545 18.3406 179.3977 24 F 4.0305 8.3281 119.2311 61.5556 39.5833 177.4259 25 L 3.3286 7.7522 118.5135 57.5429 41.3024 179.2655 26 N 4.2238 8.3394 116.6804 56.0801 38.3340 177.3119 27 A 3.8129 8.0066 122.4222 54.8457 18.4528 179.4440 28 L 3.6931 7.4724 117.6190 58.1396 41.4900 179.6276 29 Q 4.2720 7.4204 118.7055 58.4681 29.1048 177.2208 30 N 4.5109 7.9811 114.3523 52.3336 39.0992 174.6816 31 E 2.7739 7.3426 118.4580 57.3836 27.6967 175.8190 32 D 4.4811 7.4162 119.5248 53.3213 39.7353 175.0716 33 F 4.5447 8.0104 123.7491 59.6258 39.3944 176.6427 34 D 4.4551 8.2257 118.5469 57.7180 40.6194 178.7545 35 T 3.8810 8.0095 115.7214 66.4100 68.3197 176.5362 36 V 3.8009 7.5575 119.1940 66.4247 31.7969 177.2370 37 D 4.5960 8.6076 118.4823 57.7422 40.5272 179.0568 38 A 4.1420 8.0996 119.3368 54.8369 18.6654 179.2273 39 A 4.0734 8.3876 119.4994 53.2157 18.3942 177.1366 40 L 4.5780 6.8998 116.4777 52.9039 43.2623 177.1277 41 G 3.8359 8.8337 113.1266 45.2248 0.0000 174.2393 42 D 4.3847 8.7717 120.3377 56.8333 40.9977 177.9436 43 D 4.7543 7.8492 116.3015 53.6543 41.3799 175.6287 44 L 4.0338 7.4274 121.4127 56.1694 43.1540 176.1898 45 V 4.7972 8.7093 119.2308 59.8373 34.1923 174.0584 46 Y 5.3306 9.2027 126.9354 55.9336 41.2653 173.9113 47 E 4.7957 8.8770 126.3113 54.4332 33.2875 174.8969 48 N 5.0722 8.1956 122.0319 51.1831 40.1391 175.1264 49 V 3.5660 7.9484 125.3658 62.6026 31.8528 177.1665 50 G 3.6738 8.7662 111.3967 45.4607 0.0000 173.6585 51 F 4.5599 8.3794 116.2906 58.4898 41.8268 175.4722 52 S 4.6623 7.4674 112.7866 56.9366 66.1964 173.2141 53 R 4.9583 8.3714 121.7783 54.6909 32.8487 174.1239 54 I 4.6880 8.8600 126.6385 59.5320 41.0303 174.4227 55 R 4.9754 8.5499 124.7167 55.2245 32.7112 175.9897 56 G 4.1125 9.5328 113.1039 45.2541 0.0000 175.1244 57 G 3.6293 8.8945 111.6998 47.7749 0.0000 176.1975 58 R 3.9432 7.9432 119.9973 58.9990 30.2088 178.8111 59 R 3.9170 8.0134 117.8943 59.8375 30.0546 178.4925 60 T 3.9633 7.9259 114.7868 66.6012 68.4566 176.3993 61 A 4.1301 8.3150 123.1428 55.6611 18.4281 179.8685 62 T 3.8446 8.1840 108.1398 64.4749 68.6670 176.6747 63 L 3.9622 7.8948 122.6915 58.0290 42.2056 178.7031 64 L 4.3131 7.9843 117.7522 57.9115 41.7226 178.9142 65 R 2.5100 7.6470 117.3344 58.6858 30.7192 178.2421 66 R 4.0955 7.6227 117.6058 54.6999 28.6596 176.8136 *68 Q 3.9810 7.4886 118.2635 57.3097 30.2767 174.9038 69 G 4.0259 9.1988 113.3384 45.3848 0.0000 173.5090 70 R 4.4296 7.7939 116.5968 56.6852 32.3939 176.4262 71 V 4.5189 7.4821 115.6726 59.7913 33.9182 175.6118 72 G 3.8233 8.8966 112.7597 44.7843 0.0000 172.2836 73 F 5.8288 8.2005 118.5585 55.5179 42.8721 174.0810 74 E 4.9752 9.0979 121.1503 54.6084 33.3982 175.1373 75 V 4.6554 8.6375 122.4244 61.0938 34.5934 174.2414 76 K 4.4676 9.2790 129.7790 54.6810 34.5532 174.5620 77 I 4.4168 8.2535 128.6736 60.5725 37.5161 175.3401 78 H 4.6289 9.2905 125.9919 58.2928 29.6102 176.3951 79 R 4.7702 7.7857 114.8659 55.0424 34.8285 174.5560 80 I 4.9097 8.2356 122.5895 60.1416 40.7809 173.7783 81 G 4.4589 9.2392 115.6768 44.4305 0.0000 170.6555 82 A 5.3049 8.4661 120.1799 50.1785 22.7572 176.0574 83 D 4.5017 9.1420 119.6046 52.9796 43.6015 177.5309 84 G 3.8330 8.4077 119.1439 46.7483 0.0000 174.3771 85 A 4.1730 8.8546 130.7992 52.9063 19.1646 177.4273 86 A 5.0212 7.9708 119.0553 50.9790 20.7813 176.6918 87 V 4.9029 8.9203 121.0809 61.1235 34.9003 174.2905 88 L 5.5771 9.2105 127.8919 53.2337 45.1502 175.5297 89 T 5.2383 9.2527 112.0780 59.9682 72.6332 172.1316 90 E 5.0288 9.3788 125.6653 54.8143 31.8093 174.8836 91 R 5.2251 9.4114 125.0999 54.9197 35.6947 174.0323 92 T 4.9356 8.8222 116.9632 62.1385 71.2155 173.6960 93 D 5.3367 8.5360 125.6643 52.5417 44.5470 175.1710 94 A 5.0105 8.7109 120.9934 50.4781 23.0193 175.0492 95 L 5.2677 9.1774 122.0019 53.2644 44.4736 175.7508 96 I 4.9167 8.5661 123.4084 59.6706 40.6657 174.6200 97 I 4.6751 8.7575 128.7585 58.5572 39.6322 177.1885 98 G 3.7324 8.8407 119.9019 46.2420 0.0000 173.2249 99 P 4.3256 0.0000 0.0000 63.5573 31.7557 175.6717 100 L 4.1283 7.8837 123.1658 54.4897 41.9464 174.8446 101 R 4.9323 8.5316 126.5740 54.4790 32.8276 174.1987 102 V 4.4825 9.1686 126.9074 61.3373 33.3837 173.7980 103 Q 5.1752 8.4268 129.3929 54.5822 31.8634 173.9468 104 F 5.0017 7.9539 117.7951 55.4331 41.4264 173.3658 105 W 4.9657 9.0125 118.9458 56.8361 29.0778 175.6780 106 V 5.1578 9.2192 121.2723 61.7378 35.0150 173.6132 107 C 5.3524 9.9401 125.5621 58.2456 30.3973 172.8184 108 G 4.6720 9.0690 111.4257 44.5335 0.0000 172.2168 109 V 5.2055 9.0817 118.1948 59.6104 34.4916 174.9763 110 F 5.5302 9.7259 122.9596 55.7628 43.5396 173.6811 111 E 5.3617 9.1565 120.3184 54.5619 32.7360 175.3253 112 V 4.9103 8.7335 123.8402 59.8712 34.2690 174.8037 113 D 4.6014 9.1500 123.1862 53.3207 43.2346 175.0305 114 D 4.5426 9.5058 127.9223 55.6400 37.8998 175.4704 115 G 3.9549 8.3650 105.7516 45.7131 0.0000 174.0755 116 R 4.6797 7.5500 119.3439 54.2726 32.2196 175.2887 117 I 4.5171 8.6766 124.1232 61.5379 37.7068 176.4794 118 T 4.7497 9.4716 117.4714 61.5776 71.3542 173.9909 119 L 5.3400 7.8875 123.8252 53.0141 46.0475 175.0717 120 W 5.0548 9.3271 135.0000 56.0162 33.9677 173.7464 121 R 4.7081 9.1522 129.3871 54.6970 32.0857 173.5667 122 D 5.4634 8.7615 127.5493 53.2039 42.9986 175.3276 123 Y 4.8551 9.3787 121.7189 56.3737 40.7202 174.9107 124 F 4.4728 7.6577 116.9494 56.0814 41.2861 172.3759 125 D 4.9666 7.4791 117.8635 52.1462 43.0718 175.9483 126 V 3.7868 8.7344 120.1119 64.7586 32.1753 176.9729 127 Y 4.4380 8.5374 120.3993 60.9378 38.9517 178.4209 128 D 4.4037 8.3972 116.3727 54.8308 40.9838 177.4636 *130 F 4.6697 8.2166 121.0529 57.6713 41.2138 177.0669 131 K 3.8486 8.2500 120.2080 59.3222 31.6599 179.5648 132 G 3.6594 8.0963 107.3743 46.9446 0.0000 175.4925 133 L 3.8460 7.5563 122.1158 57.8810 42.1559 178.8069 134 L 3.7480 7.4820 118.8078 57.8429 41.5493 179.4999 135 R 3.9620 8.0413 118.6583 59.3862 29.7994 178.8210 136 G 3.6378 8.0297 106.8845 47.2112 0.0000 175.8061 137 L 3.9864 8.2300 121.9697 57.3686 41.5480 179.7209 138 V 3.5693 8.1839 118.4504 66.0210 31.5729 177.9704 139 A 4.5160 8.0498 121.5964 54.4927 17.8833 179.5105 140 L 3.9843 7.5572 116.9939 57.0986 41.6369 178.7034 141 V 4.3556 6.9283 117.0985 62.4488 33.8564 175.5048 142 V 4.2193 7.8106 119.7982 59.8792 31.0445 171.5811 143 P 5.0734 0.0000 0.0000 61.6043 29.1323 176.6833 144 S 4.1217 7.9264 115.8901 58.4736 62.1858 173.8908 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 13 E 8.30 4.31 0.00 2.06 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 2.28 2.41 0.00 14 T 7.75 3.71 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 1.22 0.00 0.00 15 T 8.65 3.87 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 1.20 0.00 0.00 16 E 8.25 3.90 0.00 2.13 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 2.39 2.39 0.00 17 A 8.06 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.76 3.61 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 0.89 0.00 0.00 19 R 8.35 3.86 0.00 2.02 1.94 0.00 3.11 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 20 A 8.11 3.93 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 21 V 7.51 3.17 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.49 0.00 0.00 22 E 8.20 3.81 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 23 A 8.19 3.90 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 24 F 8.33 4.03 0.00 2.91 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 25 L 7.75 3.33 0.00 1.55 1.52 0.86 0.46 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 26 N 8.34 4.22 0.00 2.67 2.76 0.00 0.00 6.88 7.09 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 27 A 8.01 3.81 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.47 3.69 0.00 1.34 1.51 0.48 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.42 4.27 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 30 N 7.98 4.51 0.00 2.66 2.73 0.00 0.00 7.08 7.18 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 31 E 7.34 2.77 0.00 1.97 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 2.26 2.13 0.00 32 D 7.42 4.48 0.00 2.63 2.39 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 33 F 8.01 4.54 0.00 3.20 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 34 D 8.23 4.46 0.00 2.75 2.75 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 35 T 8.01 3.88 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 1.20 0.00 0.00 36 V 7.56 3.80 2.50 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 1.13 0.00 0.00 0.97 0.00 0.00 37 D 8.61 4.60 0.00 2.96 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 38 A 8.10 4.14 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 39 A 8.39 4.07 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 40 L 6.90 4.58 0.00 1.68 1.58 1.00 0.23 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 41 G 8.83 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.77 4.38 0.00 2.76 2.75 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 43 D 7.85 4.75 0.00 2.67 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 44 L 7.43 4.03 0.00 1.98 1.74 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.71 4.80 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 0.73 0.00 0.00 0.94 0.00 0.00 46 Y 9.20 5.33 0.00 2.95 2.75 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 47 E 8.88 4.80 0.00 1.69 1.52 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 2.03 2.10 0.00 48 N 8.20 5.07 0.00 2.60 3.00 0.00 0.00 6.50 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 49 V 7.95 3.57 1.72 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 -0.32 0.00 0.00 0.70 0.00 0.00 50 G 8.77 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 51 F 8.38 4.56 0.00 3.10 3.08 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 52 S 7.47 4.66 0.00 3.72 3.85 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 53 R 8.37 4.96 0.00 1.66 1.71 0.00 3.12 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 54 I 8.86 4.69 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 1.00 0.00 0.00 55 R 8.55 4.98 0.00 1.68 1.84 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 56 G 9.53 4.11 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 0.00 57 G 8.89 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 0.00 0.00 0.00 58 R 7.94 3.94 0.00 1.86 2.02 0.00 3.32 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 59 R 8.01 3.92 0.00 1.91 1.98 0.00 3.22 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 60 T 7.93 3.96 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 1.31 0.00 0.00 61 A 8.31 4.13 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.18 3.84 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 1.30 0.00 0.00 63 L 7.89 3.96 0.00 1.78 2.01 0.97 1.03 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 64 L 7.98 4.31 0.00 1.98 2.05 1.22 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.65 2.51 0.00 1.51 1.88 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.18 0.00 66 R 7.62 4.10 0.00 1.88 1.88 0.00 3.23 0.00 0.00 3.13 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 *68 Q 7.49 3.98 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 69 G 9.20 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 70 R 7.79 4.43 0.00 1.75 1.92 0.00 3.31 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 71 V 7.48 4.52 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 0.73 0.00 0.00 0.79 0.00 0.00 72 G 8.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.20 5.83 0.00 2.96 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 74 E 9.10 4.98 0.00 1.88 1.76 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 2.35 2.21 0.00 75 V 8.64 4.66 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 0.78 0.00 0.00 0.90 0.00 0.00 76 K 9.28 4.47 0.00 1.79 1.67 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.22 7.81 77 I 8.25 4.42 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.94 0.00 0.00 78 H 9.29 4.63 0.00 3.11 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.79 4.77 0.00 1.75 1.78 0.00 3.37 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 80 I 8.24 4.91 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.95 0.00 0.00 81 G 9.24 4.46 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 0.00 82 A 8.47 5.30 1.22 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 0.00 0.00 83 D 9.14 4.50 0.00 2.67 2.53 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 84 G 8.41 3.83 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 0.00 0.00 0.00 85 A 8.85 4.17 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 86 A 7.97 5.02 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 87 V 8.92 4.90 2.19 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 0.93 0.00 0.00 0.95 0.00 0.00 88 L 9.21 5.58 0.00 1.71 1.61 0.98 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 T 9.25 5.24 4.41 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 1.39 0.00 0.00 90 E 9.38 5.03 0.00 2.06 1.90 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 2.31 2.28 0.00 91 R 9.41 5.23 0.00 1.93 1.95 0.00 3.22 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 92 T 8.82 4.94 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 1.21 0.00 0.00 93 D 8.54 5.34 0.00 1.74 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 0.00 0.00 0.00 0.00 94 A 8.71 5.01 1.15 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 95 L 9.18 5.27 0.00 1.72 1.68 0.98 1.55 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 96 I 8.57 4.92 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.78 0.91 0.00 0.00 97 I 8.76 4.68 1.85 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 1.14 0.79 0.95 0.00 0.00 98 G 8.84 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.33 0.00 2.18 2.17 0.00 3.86 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 100 L 7.88 4.13 0.00 1.75 1.77 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.53 4.93 0.00 1.89 1.73 0.00 3.16 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 102 V 9.17 4.48 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 0.97 0.00 0.00 0.91 0.00 0.00 103 Q 8.43 5.18 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 104 F 7.95 5.00 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 0.00 105 W 9.01 4.97 0.00 3.49 3.20 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 0.00 106 V 9.22 5.16 2.31 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 1.49 0.00 0.00 1.22 0.00 0.00 107 C 9.94 5.35 0.00 3.15 2.96 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 0.00 108 G 9.07 4.67 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 0.00 109 V 9.08 5.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.05 0.00 0.00 110 F 9.73 5.53 0.00 2.93 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 0.00 111 E 9.16 5.36 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 112 V 8.73 4.91 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 0.72 0.00 0.00 0.92 0.00 0.00 113 D 9.15 4.60 0.00 2.68 2.53 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 0.00 114 D 9.51 4.54 0.00 2.87 2.75 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 0.00 115 G 8.36 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 0.00 116 R 7.55 4.68 0.00 1.93 1.88 0.00 3.41 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 117 I 8.68 4.52 1.60 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.36 1.05 0.00 0.00 118 T 9.47 4.75 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 1.23 0.00 0.00 119 L 7.89 5.34 0.00 1.80 1.65 0.95 0.94 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 0.00 120 W 9.33 5.05 0.00 3.36 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 0.00 121 R 9.15 4.71 0.00 1.79 1.85 0.00 3.20 0.00 0.00 2.90 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.26 0.00 122 D 8.76 5.46 0.00 2.85 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 0.00 123 Y 9.38 4.86 0.00 3.25 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 0.00 124 F 7.66 4.47 0.00 2.63 3.07 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 0.00 0.00 0.00 125 D 7.48 4.97 0.00 2.84 2.32 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 0.00 126 V 8.73 3.79 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 1.02 0.00 0.00 1.05 0.00 0.00 127 Y 8.54 4.44 0.00 3.05 3.42 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 0.00 128 D 8.40 4.40 0.00 3.06 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.22 4.67 0.00 3.23 3.30 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 0.00 131 K 8.25 3.85 0.00 1.80 1.71 0.00 1.57 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.32 1.15 7.81 132 G 8.10 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 3.85 0.00 1.64 1.64 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.48 3.75 0.00 1.60 1.53 0.54 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.04 3.96 0.00 2.00 1.98 0.00 3.24 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 1.60 1.77 0.00 136 G 8.03 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 0.00 0.00 0.00 137 L 8.23 3.99 0.00 1.75 1.68 0.85 0.64 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 0.00 138 V 8.18 3.57 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 1.07 0.00 0.00 0.93 0.00 0.00 139 A 8.05 4.52 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 0.00 140 L 7.56 3.98 0.00 1.83 1.74 0.90 0.80 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 0.00 141 V 6.93 4.36 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 0.82 0.00 0.00 0.92 0.00 0.00 142 V 7.81 4.22 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 0.94 0.00 0.00 0.92 0.00 0.00 143 P 0.00 5.07 0.00 2.07 2.00 0.00 3.79 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 144 S 7.93 4.12 0.00 3.77 3.65 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 * Residues marked with a * may have inaccurate shift predictions.