NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3624 8.5445 116.7535 54.6940 32.4339 175.7713 3 Q 4.6564 7.4896 117.7880 54.3588 32.3932 174.0900 *4 Y 4.7205 8.5183 123.9735 55.8094 42.0116 174.0143 *5 Y 4.4936 8.6115 124.4308 56.1575 39.2227 171.8102 6 G 5.1201 7.7891 116.2870 49.2453 0.0000 172.3887 7 T 4.9992 8.3977 120.8291 59.2512 71.7821 170.2171 8 G 4.2587 8.7794 114.0664 44.9726 0.0000 172.7197 9 R 5.6094 8.3134 118.8200 58.2808 31.8093 173.7598 10 R 4.5109 8.4745 126.5131 55.3633 32.3831 174.9270 11 K 3.8783 9.8115 125.5998 55.6760 28.9045 174.1141 12 E 4.0123 8.3919 113.1100 56.0020 28.1326 175.9044 13 A 5.4462 8.1404 123.8448 51.6887 20.8659 177.4458 14 V 4.8608 8.4058 120.8269 59.4958 35.1392 171.9764 15 A 5.0197 9.2794 129.4140 49.7706 23.1877 175.4696 16 R 5.0473 8.6645 121.5574 55.7058 32.9211 176.5788 17 V 4.6767 9.7548 126.4860 59.5825 35.2068 173.7302 *18 F 5.5223 8.2435 122.3187 55.6561 40.2520 173.9116 19 L 4.7519 8.3982 129.6653 54.9522 42.3507 175.5701 20 R 4.8783 9.2062 123.7456 53.8738 34.1726 175.2447 21 P 4.9555 0.0000 0.0000 61.4476 29.6387 176.2132 22 G 4.1900 7.6281 113.9260 45.3063 0.0000 173.6583 23 N 4.7376 8.3045 117.1157 50.5986 39.2305 170.4218 24 G 3.8895 7.7994 118.3148 45.1051 0.0000 172.9773 25 K 4.7884 7.4408 119.8492 50.4729 34.1606 178.6647 26 V 4.9277 8.5224 124.9397 59.7906 36.3447 172.4119 27 T 4.7627 9.1403 120.8816 59.5175 72.5219 172.0549 28 V 4.6830 8.4129 127.0644 60.6820 34.4015 173.9280 29 N 4.0738 9.7631 120.0639 52.1113 36.0589 171.5967 30 G 4.2225 7.7584 114.5445 47.9457 0.0000 175.4963 31 Q 4.2641 7.4067 120.9927 54.2522 29.5992 177.5644 32 D 4.9742 8.3736 115.7083 54.1028 40.7161 174.8056 *33 F 3.4564 8.2187 120.4710 60.4128 38.0251 177.9787 34 N 4.9496 8.1823 116.6855 53.1101 37.4459 180.3982 35 E 4.6984 9.1529 118.2128 57.1010 32.3304 180.5164 *36 Y 4.3628 8.1117 116.4923 60.2303 38.3016 183.7096 *37 F 4.5358 8.1874 121.0112 61.1019 38.7435 181.7061 38 Q 3.0939 7.3963 112.9134 56.9842 29.4625 180.8709 39 G 3.7612 8.8574 110.7307 48.4012 0.0000 175.2997 40 L 3.8013 7.0832 120.3045 55.6608 40.9490 181.7161 41 V 4.1428 8.5315 125.7267 64.4478 31.8923 175.7145 42 R 4.4236 7.8741 116.8283 60.0339 29.3451 182.8948 43 A 4.3180 8.0209 122.2778 56.2487 18.2614 180.6252 44 V 3.5993 7.5381 118.1711 66.1144 31.7138 183.3349 45 A 4.1947 7.8992 121.0785 54.5619 17.9267 179.2845 46 A 4.2815 7.5737 121.5856 55.1186 17.9825 178.8941 47 L 4.6055 7.5014 117.9927 54.7900 41.6022 182.7367 48 E 4.2319 8.6003 123.6724 62.0789 29.7279 181.7784 49 P 4.6871 0.0000 0.0000 67.9796 30.8739 183.1101 50 L 4.2320 8.0060 124.1404 60.2331 40.7459 182.1561 51 R 4.4148 7.4787 119.0373 60.8193 29.2012 180.2980 52 A 4.3898 7.8291 121.0299 55.9102 18.5623 179.9208 53 V 4.2169 7.8199 116.5199 62.3839 33.7006 176.2774 54 D 4.6523 8.4468 116.9827 54.0509 36.9760 179.2553 55 A 4.7822 7.3565 130.9121 52.2438 21.7354 178.3448 56 L 3.9799 8.0622 117.2141 55.3505 39.0750 172.3976 57 G 4.3655 7.9484 104.2269 47.2605 0.0000 174.4909 58 R 4.6965 8.1003 119.6666 57.2245 34.9144 180.5479 *59 F 5.2547 8.2842 119.7489 56.1738 42.4507 177.9662 60 D 5.3052 9.8831 123.3503 51.6922 42.8185 174.3350 61 A 4.9574 8.2902 127.9658 50.5020 20.3347 176.0822 *62 Y 4.8333 8.7074 125.6981 56.5258 39.1952 172.7076 63 I 5.2240 9.1580 128.3448 58.5995 39.3501 173.4362 64 T 4.9289 8.1953 117.5341 61.9012 72.2974 174.7961 65 V 5.1707 8.6487 127.0416 57.7074 36.5021 172.2687 66 R 4.5728 8.7117 121.9052 58.9358 32.5836 174.6030 67 G 4.0856 8.7858 115.1447 43.0247 0.0000 172.0021 68 G 3.2747 9.8511 115.2933 45.0033 0.0000 168.0999 69 G 3.9766 8.0711 117.6790 45.2678 0.0000 175.5513 70 K 3.9172 8.8111 130.1911 61.0125 31.7064 179.0946 71 S 4.5210 8.1857 119.1351 62.8693 62.2737 178.8546 72 G 3.9634 7.9999 111.6119 48.2757 0.0000 176.4320 73 Q 4.1500 8.3887 126.1575 60.1158 27.8470 180.6575 74 I 3.9740 8.2168 123.6160 66.1666 35.8335 180.8956 75 D 4.7193 7.9917 122.2395 58.0578 39.6100 180.4032 76 A 4.2255 7.9447 124.4947 55.9475 18.5413 180.3265 77 I 3.7559 8.1869 121.1930 65.8476 35.3851 180.6646 78 K 4.1972 8.0374 127.1491 60.5189 31.3762 182.3419 79 L 4.2540 7.9895 123.6420 60.0658 40.9041 180.5280 80 G 3.9984 8.7182 107.1377 48.5009 0.0000 176.0115 81 I 3.6783 7.9669 119.6191 64.4826 36.1047 179.3573 82 A 4.1762 8.1945 124.6977 56.0072 17.9298 180.1867 83 R 3.8593 8.6186 118.0545 61.7307 29.8237 180.3446 84 A 5.0150 8.6544 125.7359 55.1222 18.2537 180.0970 85 L 3.9340 8.4880 122.9370 60.6369 40.6700 182.6207 86 V 3.9281 7.7813 122.6722 66.7407 31.2758 180.6033 87 Q 4.2347 8.5742 121.9006 59.6996 27.9318 180.5260 *88 Y 4.7630 8.0058 122.8077 61.6950 37.7927 182.0860 89 N 4.9590 7.8195 124.6006 50.2705 39.1704 175.6543 90 P 4.1173 0.0000 0.0000 64.1887 30.9725 176.1325 91 D 4.4558 8.0183 116.4014 56.3120 40.3250 183.9688 *92 Y 4.2438 9.3315 124.5487 64.1893 36.3043 184.3092 93 R 4.0639 7.5150 123.1581 61.5064 29.4090 180.5494 94 A 4.8450 7.8472 122.7041 54.7970 18.5273 178.6709 95 K 4.5534 8.5777 118.2094 54.7724 34.1159 181.9325 96 L 4.5229 9.5513 122.5460 57.7387 41.6230 184.2885 97 K 4.0777 8.0953 123.4194 57.2552 31.8912 179.7885 98 P 4.8167 0.0000 0.0000 65.1172 30.5652 179.7399 99 L 4.5679 7.8821 115.5805 53.8821 41.0032 182.4883 100 G 4.1090 9.6599 108.3800 47.6057 0.0000 175.9360 *101 F 4.0430 7.7871 120.0403 59.8138 38.5336 181.7031 102 L 4.5507 7.6764 124.2177 52.9733 39.4043 179.8132 103 T 4.6206 7.2577 114.5100 60.0919 72.9003 175.9314 104 R 4.1536 8.6501 128.0056 55.1773 30.0882 174.1024 105 D 4.5411 8.6018 122.4505 51.9431 38.8598 172.7047 106 A 4.4318 8.5413 129.0329 52.2254 18.3646 178.2672 107 R 4.0492 7.5913 119.6497 57.7573 29.8163 181.6278 108 V 4.4783 8.0884 121.0267 58.3533 35.6219 172.5537 109 V 3.6542 8.5723 121.3596 61.5730 30.9478 177.4261 110 E 4.1353 8.6499 124.1707 55.7460 30.0318 175.3416 111 R 4.2700 8.4565 120.7376 56.5666 30.4563 177.0986 112 K 4.7118 8.5317 120.4868 54.5468 32.9343 176.5557 113 K 4.6905 8.2049 127.5979 52.0566 34.8861 171.6447 *114 Y 4.0735 8.3798 115.9345 57.9768 37.7290 176.7507 115 G 4.1558 8.9024 110.8083 46.0618 0.0000 174.2467 116 K 4.4128 7.7562 120.3418 53.7613 35.3520 177.9794 *117 H 4.0124 8.4242 124.9975 56.4566 28.8258 173.3202 118 K 4.5500 7.5330 120.4522 52.9242 32.1180 176.9901 119 A 4.3273 8.1768 133.6302 53.6211 17.4410 180.3112 120 R 4.3935 7.6398 112.8693 57.1040 32.4677 178.8045 121 R 4.0514 7.8880 114.2101 56.6043 28.5018 179.5471 122 A 4.6924 8.2570 129.4321 50.0112 20.0865 175.9723 123 P 4.4173 0.0000 0.0000 62.8222 31.4995 176.7048 124 Q 4.5746 8.3310 118.3562 55.5704 29.9664 174.4359 *125 Y 4.7045 7.9183 115.1514 58.6653 40.8117 172.5086 126 S 4.4920 8.8122 112.4525 61.7085 66.5757 169.7585 127 K 3.4629 8.7351 125.4439 58.6688 30.6760 171.9463 128 R 4.0474 8.3502 120.7243 55.5472 29.1559 172.2448 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 E 8.54 4.36 0.00 2.01 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 2.13 1.88 0.00 3 Q 7.49 4.66 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.00 0.00 *4 Y 8.52 4.72 0.00 2.03 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 0.00 0.00 0.00 *5 Y 8.61 4.49 0.00 2.00 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 6 G 7.79 5.12 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 0.00 0.00 0.00 7 T 8.40 5.00 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 1.21 0.00 0.00 8 G 8.78 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 0.00 0.00 0.00 0.00 9 R 8.31 5.61 0.00 1.55 1.70 0.00 3.12 0.00 0.00 3.92 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.99 0.00 10 R 8.47 4.51 0.00 1.70 1.79 0.00 3.36 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.00 11 K 9.81 3.88 0.00 1.85 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 0.98 7.81 12 E 8.39 4.01 0.00 2.16 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 0.00 2.09 1.85 0.00 13 A 8.14 5.45 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 14 V 8.41 4.86 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 0.78 0.00 0.00 0.93 0.00 0.00 15 A 9.28 5.02 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 16 R 8.66 5.05 0.00 1.46 1.76 0.00 3.22 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 17 V 9.75 4.68 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 0.84 0.00 0.00 0.93 0.00 0.00 *18 F 8.24 5.52 0.00 1.91 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 0.00 0.00 0.00 0.00 19 L 8.40 4.75 0.00 1.33 1.57 0.92 0.80 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 20 R 9.21 4.88 0.00 1.39 1.74 0.00 3.24 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 21 P 0.00 4.96 0.00 2.08 1.94 0.00 3.59 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.55 0.00 22 G 7.63 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 0.00 0.00 0.00 0.00 23 N 8.30 4.74 0.00 2.70 2.60 0.00 0.00 6.52 7.51 0.00 0.00 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 G 7.80 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 25 K 7.44 4.79 0.00 1.49 1.71 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.07 7.81 26 V 8.52 4.93 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 0.69 0.00 0.00 0.93 0.00 0.00 27 T 9.14 4.76 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 1.21 0.00 0.00 28 V 8.41 4.68 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 0.66 0.00 0.00 0.93 0.00 0.00 29 N 9.76 4.07 0.00 2.79 2.77 0.00 0.00 7.03 7.44 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 30 G 7.76 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 0.00 0.00 0.00 0.00 31 Q 7.41 4.26 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.92 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 32 D 8.37 4.97 0.00 2.59 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 *33 F 8.22 3.46 0.00 2.25 2.36 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 34 N 8.18 4.95 0.00 2.73 2.70 0.00 0.00 6.30 7.66 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 35 E 9.15 4.70 0.00 1.83 1.81 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 2.14 2.09 0.00 *36 Y 8.11 4.36 0.00 2.32 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 *37 F 8.19 4.54 0.00 2.22 2.28 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 38 Q 7.40 3.09 0.00 2.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.27 1.99 0.00 39 G 8.86 3.76 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 0.00 0.00 0.00 40 L 7.08 3.80 0.00 1.71 1.54 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.53 4.14 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 0.76 0.00 0.00 0.93 0.00 0.00 42 R 7.87 4.42 0.00 1.81 1.95 0.00 3.22 0.00 0.00 3.34 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 43 A 8.02 4.32 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 44 V 7.54 3.60 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 0.79 0.00 0.00 0.93 0.00 0.00 45 A 7.90 4.19 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 46 A 7.57 4.28 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 47 L 7.50 4.61 0.00 1.53 1.61 0.92 0.89 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 48 E 8.60 4.23 0.00 2.01 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 2.26 2.19 0.00 49 P 0.00 4.69 0.00 2.07 2.08 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 50 L 8.01 4.23 0.00 1.64 1.71 0.92 0.92 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 51 R 7.48 4.41 0.00 1.94 1.90 0.00 3.24 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 52 A 7.83 4.39 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 53 V 7.82 4.22 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 0.84 0.00 0.00 0.93 0.00 0.00 54 D 8.45 4.65 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 55 A 7.36 4.78 1.23 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 0.00 0.00 0.00 56 L 8.06 3.98 0.00 1.79 1.73 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.95 4.37 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 0.00 58 R 8.10 4.70 0.00 1.45 1.85 0.00 3.19 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 *59 F 8.28 5.25 0.00 1.92 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 0.00 0.00 0.00 0.00 60 D 9.88 5.31 0.00 2.16 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 61 A 8.29 4.96 1.25 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 0.00 0.00 *62 Y 8.71 4.83 0.00 2.02 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 0.00 0.00 0.00 0.00 63 I 9.16 5.22 1.87 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 1.08 1.72 0.91 0.00 0.00 64 T 8.20 4.93 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 1.21 0.00 0.00 65 V 8.65 5.17 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 1.16 0.00 0.00 0.93 0.00 0.00 66 R 8.71 4.57 0.00 1.61 1.75 0.00 3.21 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.00 67 G 8.79 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 68 G 9.85 3.27 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 0.00 69 G 8.07 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 70 K 8.81 3.92 0.00 1.77 1.87 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.12 7.81 71 S 8.19 4.52 0.00 3.73 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 72 G 8.00 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 73 Q 8.39 4.15 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 74 I 8.22 3.97 1.87 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 1.38 1.10 0.91 0.00 0.00 75 D 7.99 4.72 0.00 2.71 2.71 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 0.00 0.00 0.00 0.00 76 A 7.94 4.23 1.45 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 77 I 8.19 3.76 1.87 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 1.38 0.70 0.91 0.00 0.00 78 K 8.04 4.20 0.00 1.79 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.34 7.81 79 L 7.99 4.25 0.00 1.66 1.70 0.92 0.81 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 80 G 8.72 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 0.00 0.00 0.00 81 I 7.97 3.68 1.87 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 1.45 0.69 0.91 0.00 0.00 82 A 8.19 4.18 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 83 R 8.62 3.86 0.00 1.88 1.89 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 84 A 8.65 5.02 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 85 L 8.49 3.93 0.00 1.61 1.74 0.92 1.00 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 86 V 7.78 3.93 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 0.71 0.00 0.00 0.93 0.00 0.00 87 Q 8.57 4.23 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 *88 Y 8.01 4.76 0.00 2.38 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 89 N 7.82 4.96 0.00 2.63 2.69 0.00 0.00 7.22 7.64 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 90 P 0.00 4.12 0.00 1.98 2.10 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.61 0.00 91 D 8.02 4.46 0.00 2.69 2.60 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 *92 Y 9.33 4.24 0.00 2.24 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 93 R 7.52 4.06 0.00 1.99 1.96 0.00 3.27 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 94 A 7.85 4.84 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 95 K 8.58 4.55 0.00 1.69 1.62 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.22 7.81 96 L 9.55 4.52 0.00 1.56 1.67 0.92 0.67 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 97 K 8.10 4.08 0.00 1.67 1.85 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.00 7.81 98 P 0.00 4.82 0.00 2.08 2.03 0.00 3.69 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 1.95 1.61 0.00 99 L 7.88 4.57 0.00 1.50 1.63 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 100 G 9.66 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 *101 F 7.79 4.04 0.00 2.36 2.23 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 0.00 102 L 7.68 4.55 0.00 1.65 1.52 0.92 0.71 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 0.00 103 T 7.26 4.62 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 1.21 0.00 0.00 104 R 8.65 4.15 0.00 1.82 1.76 0.00 3.23 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 105 D 8.60 4.54 0.00 2.60 2.63 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 0.00 106 A 8.54 4.43 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 0.00 107 R 7.59 4.05 0.00 1.80 1.75 0.00 3.24 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 108 V 8.09 4.48 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 0.93 0.00 0.00 109 V 8.57 3.65 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 0.86 0.00 0.00 0.93 0.00 0.00 110 E 8.65 4.14 0.00 1.98 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 2.23 1.89 0.00 111 R 8.46 4.27 0.00 1.73 1.84 0.00 3.18 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 112 K 8.53 4.71 0.00 1.74 1.62 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 0.96 7.81 113 K 8.20 4.69 0.00 1.64 1.68 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 0.96 7.81 *114 Y 8.38 4.07 0.00 2.33 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 0.00 0.00 0.00 0.00 115 G 8.90 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 0.00 116 K 7.76 4.41 0.00 1.79 1.54 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.25 7.81 *117 H 8.42 4.01 0.00 2.92 2.92 0.00 7.11 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 0.00 118 K 7.53 4.55 0.00 1.72 1.61 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 0.96 7.81 119 A 8.18 4.33 1.45 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 0.00 120 R 7.64 4.39 0.00 1.80 1.80 0.00 3.27 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 121 R 7.89 4.05 0.00 1.73 1.90 0.00 3.20 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 122 A 8.26 4.69 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 0.00 123 P 0.00 4.42 0.00 2.10 1.86 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 1.94 1.59 0.00 124 Q 8.33 4.57 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.71 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 *125 Y 7.92 4.70 0.00 2.25 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 0.00 0.00 0.00 126 S 8.81 4.49 0.00 3.62 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 K 8.74 3.46 0.00 1.91 1.70 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 0.98 7.81 128 R 8.35 4.05 0.00 1.90 2.08 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.