NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 A 4.3964 8.2649 122.4679 52.0278 18.9018 176.1321 27 K 4.0756 7.9821 121.7962 54.5586 34.6608 174.1892 28 K 4.7719 9.2953 123.9007 54.9950 34.8724 174.6909 29 V 4.8369 8.4969 120.8826 59.5514 35.3835 174.2689 30 C 5.1769 8.8033 124.5554 57.6814 33.9014 173.2735 31 V 4.2977 8.1885 119.6526 60.8921 32.0640 175.5356 32 D 4.6918 8.4509 123.9859 53.3628 43.1450 177.3378 33 T 3.9690 8.4912 114.8956 64.9952 67.3463 175.5841 34 C 3.9880 8.1880 116.1259 61.7933 28.9524 176.0607 35 V 3.8500 7.6868 113.0787 62.4406 31.1836 178.4999 36 V 3.5964 7.2370 117.0467 66.2421 31.7638 177.3755 37 I 3.7572 7.6312 119.2631 64.8332 36.8158 178.1496 38 D 4.4785 8.0617 119.7106 55.7765 40.9463 178.6483 39 G 3.9364 8.1029 106.6354 46.3267 0.0000 175.6039 40 R 3.8764 7.9037 120.3689 59.1212 30.1692 178.4781 41 I 3.6516 7.3713 119.0567 64.8234 36.9291 178.1723 42 T 3.8053 7.8628 112.6312 65.2306 67.3437 175.2332 43 E 4.0357 8.1713 121.0858 59.2490 29.6784 178.4772 44 L 3.9280 8.4073 119.3112 58.2516 41.8716 179.5629 45 I 3.6074 7.8026 119.2624 64.5583 36.7856 178.2419 46 E 4.0269 7.8346 118.0340 58.9201 29.5483 177.8103 47 R 4.2316 8.0789 115.5357 55.5637 30.1182 176.1857 48 G 3.9485 7.5180 105.5202 46.7142 0.0000 174.5573 49 K 4.3659 8.1923 118.3556 56.1999 32.6698 176.0612 50 L 4.8293 7.2777 117.2502 54.0675 42.5741 177.4245 51 K 3.8939 8.3060 121.9789 59.6079 32.5366 177.2792 52 D 4.8407 7.9479 114.8227 53.9462 41.2308 176.1898 53 A 5.1767 7.6482 120.1804 50.8464 20.2920 177.6153 54 T 4.7639 8.3104 108.7155 59.9773 72.0039 173.0162 55 I 4.7621 8.4083 125.3046 59.7706 39.8012 174.6227 56 I 4.5290 8.7826 129.3336 60.3547 38.6853 174.9914 57 I 4.4167 8.3037 129.5387 59.0210 38.6433 174.0765 58 P 5.0045 0.0000 0.0000 62.2862 32.2323 177.4426 59 E 4.0585 9.6713 122.9658 59.5781 29.2636 179.3700 60 A 3.9974 8.2593 120.3055 55.4273 18.3220 179.7941 61 V 3.5481 7.7464 116.2427 66.2062 31.8477 178.0806 62 V 3.6493 7.9852 117.5510 66.4428 31.1496 177.7275 63 S 4.1924 8.2531 114.4655 61.9509 62.6782 176.7238 64 E 4.0159 7.9580 121.0515 59.4889 28.7278 179.4889 65 L 4.0986 7.9515 118.6624 57.8298 41.8103 179.3819 66 E 4.1526 8.3021 118.2922 59.2379 29.2555 178.5477 67 Y 4.1091 8.1978 119.1028 60.4013 39.2444 177.3882 68 Q 4.3298 8.1982 117.8278 57.4628 28.9601 178.0697 69 A 4.0803 7.4616 120.8003 54.6275 19.3141 179.4507 70 N 4.4584 7.9501 114.9617 52.6408 35.9065 175.8091 *72 G 3.8642 7.8409 104.6299 45.7105 0.0000 173.6075 73 R 4.1072 7.4567 119.7452 55.6622 31.6659 177.0761 74 E 3.9598 8.9413 122.9441 59.7072 29.5208 179.4865 75 I 3.8182 7.9928 119.4190 64.6211 37.1416 178.3138 76 G 3.6419 8.1944 107.9200 48.3620 0.0000 175.5177 *77 Y 4.0424 7.5752 123.7711 61.7038 36.8097 180.4076 78 K 4.2545 8.8593 122.1835 59.1693 32.2464 179.1455 79 G 3.6088 8.0987 106.0056 48.0432 0.0000 175.8225 80 I 3.3334 8.0262 122.3541 63.6453 37.0256 178.1036 81 E 4.0236 8.1045 120.1152 58.8330 29.2162 178.3542 82 E 3.9318 8.3959 119.8052 59.0233 29.7872 178.2711 83 L 3.9922 8.7409 121.5554 58.3064 42.0224 179.0056 84 R 3.9970 8.0266 118.3806 58.8812 30.0170 178.3983 85 K 3.8970 8.2020 119.6870 59.3280 32.2486 178.0950 86 L 3.8991 9.3478 120.6919 58.6804 41.9757 179.0638 87 I 3.6948 7.8776 119.1358 64.2908 37.0241 177.9423 88 E 3.9300 8.3443 120.1144 59.5430 29.4267 179.1976 89 K 4.1052 8.3028 118.0669 59.0486 32.0295 179.3004 90 A 3.9744 8.0423 121.4228 55.0448 18.2156 179.6275 91 S 4.0078 8.0132 111.3947 61.6905 62.3805 175.8911 92 E 4.0172 8.3562 120.8367 58.9770 29.2121 177.5677 93 H 4.6424 7.9961 113.7612 54.2142 29.9309 174.5037 94 N 4.0639 8.0302 117.6458 54.3716 36.4924 174.8569 95 I 4.5325 8.0776 119.5293 59.1339 39.0826 177.5300 96 K 4.2407 8.6915 127.1573 57.0088 33.9020 176.2063 97 V 4.8881 8.3189 115.1452 59.6553 34.6221 174.7163 98 E 4.8491 8.9876 123.8270 54.8289 32.8006 174.6321 99 Y 5.0932 8.6856 120.1346 57.0810 40.3229 174.5420 100 Y 4.5722 9.2135 122.8763 57.1182 42.8397 173.4455 101 G 4.0297 8.5095 111.2310 43.5203 0.0000 172.8864 102 E 3.9266 8.5529 119.8491 56.0215 30.0100 176.3372 103 R 4.4487 8.1305 124.7835 53.6082 30.5200 173.6357 104 P 4.5272 0.0000 0.0000 62.5973 32.2534 176.6833 105 T 4.3776 8.5881 116.1322 61.1729 67.9581 175.8669 106 R 4.3512 8.6708 124.1238 59.3908 29.9599 179.0453 107 E 4.1237 8.1928 118.8343 59.4470 29.5002 178.6488 108 E 4.0339 7.9513 117.4113 59.3164 29.7497 178.9472 109 I 3.7348 7.6421 118.3146 63.6711 37.9155 177.2536 110 F 4.2347 7.6398 119.4677 61.6372 39.3550 177.0512 111 L 3.8838 7.8125 115.8385 55.5641 41.4466 177.2942 112 A 4.0956 7.1570 122.9077 51.7754 18.4593 177.0240 113 K 4.1621 8.8768 123.5083 56.1937 32.7315 176.1740 114 S 3.9650 8.0475 119.0833 57.1689 64.3197 174.2177 115 G 4.0250 8.9231 113.3359 45.3811 0.0000 174.5470 116 E 4.2757 7.5726 119.6137 58.7160 30.3282 178.6926 117 I 3.7247 7.7823 117.7311 64.5245 37.5216 177.3600 118 D 4.4369 8.1092 119.3318 57.1661 41.1743 177.8369 119 A 4.2669 7.6677 120.7822 52.7332 18.2210 179.3570 *121 I 4.1106 7.9389 121.5570 63.1716 39.3270 178.2937 122 R 3.8602 8.0687 119.1557 59.3871 29.7831 178.8911 123 K 3.8434 7.8961 118.7169 59.4890 32.0869 178.8109 124 V 3.4070 7.8017 117.7315 65.9944 31.4994 177.7343 125 A 3.8502 7.8872 120.4443 54.7666 18.2671 179.5390 126 K 3.8031 8.1731 118.3003 59.7073 32.1067 178.9609 127 E 3.8892 8.0639 117.8656 59.6252 29.3830 178.2309 128 T 3.9842 7.5489 105.4852 61.1841 69.2584 173.9208 129 N 4.1044 7.5667 118.3384 55.0285 36.4666 173.5406 130 S 4.8620 7.7742 110.3837 56.3433 66.7456 174.2615 131 I 4.1097 8.5062 122.1738 60.0672 37.9351 175.4272 132 L 4.4298 8.4773 131.0822 55.2562 43.3321 175.6525 133 L 4.8503 8.9556 127.6358 53.8428 43.1003 175.6615 134 T 4.9732 8.6959 118.2740 59.9909 71.5226 173.9241 135 S 4.5272 8.6026 118.3699 56.9909 63.5709 173.5844 136 D 5.0721 8.2649 121.2020 52.8326 42.6545 175.8264 137 W 4.0603 9.1922 135.0000 60.6650 30.7193 177.7027 138 I 3.5892 7.8961 119.7601 64.3700 36.5269 178.1772 139 Q 3.9319 8.2819 119.8362 59.3894 28.9775 177.3280 140 Y 4.1883 8.4344 120.9149 61.0383 38.7601 177.9863 141 N 3.8261 7.8221 117.0293 55.5410 38.6016 177.6006 142 L 3.8272 8.1212 120.8593 57.5320 41.7368 179.2565 143 A 3.8960 8.1548 121.0166 55.1472 18.3186 179.8120 144 K 3.9497 7.8907 118.0144 58.9987 31.8538 179.1775 145 A 3.9400 7.4751 120.0626 54.5400 18.1578 178.6818 146 Q 4.5307 7.5360 113.4287 55.9965 29.7308 176.8086 147 G 3.8623 7.9793 107.5366 46.1644 0.0000 173.9703 148 I 4.1715 7.5073 121.4200 60.0881 38.7008 175.4866 149 E 4.2224 8.6931 125.8885 56.7813 30.6406 175.7092 150 A 5.0828 8.3953 123.0462 51.2080 22.3277 175.0386 151 Y 5.2324 9.0090 118.9876 56.3524 41.2512 174.4450 152 F 5.1003 8.5759 124.2593 56.4274 41.6717 174.3937 153 L 4.5724 7.8192 125.7470 52.8223 43.8942 175.3844 154 E 4.4695 8.4119 122.6951 54.3031 32.8919 173.8081 155 A 4.7881 8.2278 125.8306 50.4680 22.0919 175.4718 156 A 4.6066 8.1492 121.2103 50.7842 22.2251 175.4584 157 E 4.6149 8.6118 122.3179 54.1452 31.6378 174.8472 158 E 4.5216 8.5661 125.4471 54.3600 32.1850 174.2055 159 E 4.5910 8.8475 126.1435 54.5742 30.8228 175.6539 160 V 4.4668 8.2212 122.9920 59.6039 34.1495 174.5849 161 E 4.6563 8.7206 121.8443 54.5336 31.4385 175.3733 162 L 4.7828 8.3576 122.7992 52.7049 44.8006 175.9386 163 V 4.3032 8.2130 120.3154 61.1556 33.3710 174.9648 164 L 4.7384 8.1942 127.0619 53.5922 43.6962 176.2565 165 D 4.2045 8.2819 119.3201 54.1547 38.7190 175.3577 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 26 A 8.26 4.40 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 27 K 7.98 4.08 0.00 1.81 1.72 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.53 7.81 28 K 9.30 4.77 0.00 1.76 1.59 0.00 1.62 0.00 0.00 1.91 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.39 7.81 29 V 8.50 4.84 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 0.55 0.00 0.00 0.89 0.00 0.00 30 C 8.80 5.18 0.00 2.85 2.67 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 31 V 8.19 4.30 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 0.63 0.00 0.00 0.95 0.00 0.00 32 D 8.45 4.69 0.00 2.91 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 T 8.49 3.97 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 1.26 0.00 0.00 34 C 8.19 3.99 0.00 3.20 3.23 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 35 V 7.69 3.85 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 0.84 0.00 0.00 1.07 0.00 0.00 36 V 7.24 3.60 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 0.84 0.00 0.00 1.02 0.00 0.00 37 I 7.63 3.76 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.57 0.92 0.00 0.00 38 D 8.06 4.48 0.00 2.63 2.74 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 0.00 0.00 0.00 0.00 39 G 8.10 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 40 R 7.90 3.88 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 41 I 7.37 3.65 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 1.60 1.01 0.89 0.00 0.00 42 T 7.86 3.81 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 1.25 0.00 0.00 43 E 8.17 4.04 0.00 2.15 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 2.29 2.34 0.00 44 L 8.41 3.93 0.00 1.88 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.80 3.61 1.99 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 1.47 1.28 0.66 0.00 0.00 46 E 7.83 4.03 0.00 2.14 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 2.34 2.37 0.00 47 R 8.08 4.23 0.00 1.79 1.95 0.00 3.35 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 48 G 7.52 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 49 K 8.19 4.37 0.00 1.83 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.45 7.81 50 L 7.28 4.83 0.00 1.67 1.54 0.91 0.80 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 51 K 8.31 3.89 0.00 1.71 1.86 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.55 7.81 52 D 7.95 4.84 0.00 2.69 2.64 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 53 A 7.65 5.18 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 54 T 8.31 4.76 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 55 I 8.41 4.76 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.84 0.00 0.00 56 I 8.78 4.53 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.36 0.88 0.00 0.00 57 I 8.30 4.42 1.27 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.97 0.00 0.00 58 P 0.00 5.00 0.00 2.22 2.02 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 59 E 9.67 4.06 0.00 2.15 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 0.00 2.45 2.65 0.00 60 A 8.26 4.00 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 61 V 7.75 3.55 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 1.02 0.00 0.00 0.95 0.00 0.00 62 V 7.99 3.65 2.34 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 1.06 0.00 0.00 1.11 0.00 0.00 63 S 8.25 4.19 0.00 4.09 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 64 E 7.96 4.02 0.00 2.15 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 0.00 2.25 2.32 0.00 65 L 7.95 4.10 0.00 1.91 1.76 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.30 4.15 0.00 2.25 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 0.00 2.36 2.44 0.00 67 Y 8.20 4.11 0.00 3.12 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 68 Q 8.20 4.33 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 69 A 7.46 4.08 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 70 N 7.95 4.46 0.00 2.78 2.86 0.00 0.00 5.93 7.00 0.00 0.00 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 7.84 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.46 4.11 0.00 2.26 1.89 0.00 3.18 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 74 E 8.94 3.96 0.00 1.98 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 0.00 2.42 2.37 0.00 75 I 7.99 3.82 1.91 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 1.60 0.59 0.96 0.00 0.00 76 G 8.19 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 *77 Y 7.58 4.04 0.00 2.28 2.33 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 78 K 8.86 4.25 0.00 1.88 1.85 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 79 G 8.10 3.61 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 80 I 8.03 3.33 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.26 0.93 0.00 0.00 81 E 8.10 4.02 0.00 2.24 1.94 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 2.31 2.32 0.00 82 E 8.40 3.93 0.00 2.26 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 2.54 2.35 0.00 83 L 8.74 3.99 0.00 1.79 1.74 0.98 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 84 R 8.03 4.00 0.00 2.26 1.92 0.00 3.16 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 85 K 8.20 3.90 0.00 2.11 1.94 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.45 7.81 86 L 9.35 3.90 0.00 1.97 1.85 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.88 3.69 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.08 0.97 0.00 0.00 88 E 8.34 3.93 0.00 2.23 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 2.33 2.38 0.00 89 K 8.30 4.11 0.00 1.82 1.84 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.48 7.81 90 A 8.04 3.97 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 91 S 8.01 4.01 0.00 4.05 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 92 E 8.36 4.02 0.00 2.14 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 2.35 2.38 0.00 93 H 8.00 4.64 0.00 3.35 3.29 0.00 5.83 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.03 4.06 0.00 2.76 2.87 0.00 0.00 6.76 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 95 I 8.08 4.53 1.88 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 0.85 1.00 0.00 0.00 96 K 8.69 4.24 0.00 1.84 1.95 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.47 7.81 97 V 8.32 4.89 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 0.75 0.00 0.00 0.74 0.00 0.00 98 E 8.99 4.85 0.00 1.88 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 2.26 2.26 0.00 99 Y 8.69 5.09 0.00 2.85 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 0.00 100 Y 9.21 4.57 0.00 3.13 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 0.00 101 G 8.51 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 0.00 102 E 8.55 3.93 0.00 1.95 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 2.30 2.29 0.00 103 R 8.13 4.45 0.00 1.77 1.82 0.00 3.29 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 104 P 0.00 4.53 0.00 2.08 1.97 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 105 T 8.59 4.38 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 1.31 0.00 0.00 106 R 8.67 4.35 0.00 1.98 2.15 0.00 3.19 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 107 E 8.19 4.12 0.00 2.15 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 2.37 2.50 0.00 108 E 7.95 4.03 0.00 2.15 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 2.37 2.35 0.00 109 I 7.64 3.73 1.62 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.91 0.82 0.00 0.00 110 F 7.64 4.23 0.00 3.33 3.40 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 0.00 111 L 7.81 3.88 0.00 1.96 1.68 0.88 1.21 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 0.00 112 A 7.16 4.10 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 0.00 113 K 8.88 4.16 0.00 1.75 1.71 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.31 7.81 114 S 8.05 3.96 0.00 3.82 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 0.00 115 G 8.92 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 0.00 116 E 7.57 4.28 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 2.26 2.59 0.00 117 I 7.78 3.72 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.29 0.94 0.00 0.00 118 D 8.11 4.44 0.00 2.78 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 0.00 119 A 7.67 4.27 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 *121 I 7.94 4.11 2.04 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 1.43 0.78 0.92 0.00 0.00 122 R 8.07 3.86 0.00 2.03 1.96 0.00 3.10 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 123 K 7.90 3.84 0.00 1.99 1.82 0.00 1.65 0.00 0.00 1.61 0.00 0.00 3.29 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.46 7.81 124 V 7.80 3.41 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 0.86 0.00 0.00 1.07 0.00 0.00 125 A 7.89 3.85 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 0.00 126 K 8.17 3.80 0.00 1.78 1.90 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.44 7.81 127 E 8.06 3.89 0.00 1.83 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 2.36 2.35 0.00 128 T 7.55 3.98 4.04 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 0.41 0.00 0.00 129 N 7.57 4.10 0.00 2.86 2.88 0.00 0.00 6.72 7.19 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 0.00 130 S 7.77 4.86 0.00 3.80 3.72 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 0.00 131 I 8.51 4.11 1.57 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.49 0.05 0.00 0.00 132 L 8.48 4.43 0.00 1.76 1.55 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.96 4.85 0.00 1.65 1.59 0.91 0.28 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 0.00 134 T 8.70 4.97 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 1.52 0.00 0.00 135 S 8.60 4.53 0.00 3.83 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 0.00 136 D 8.26 5.07 0.00 2.87 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 0.00 137 W 9.19 4.06 0.00 3.24 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 0.00 138 I 7.90 3.59 2.05 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 1.47 0.64 0.90 0.00 0.00 139 Q 8.28 3.93 0.00 2.33 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 140 Y 8.43 4.19 0.00 3.19 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 0.00 141 N 7.82 3.83 0.00 2.52 2.45 0.00 0.00 7.05 6.09 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 0.00 142 L 8.12 3.83 0.00 1.91 1.64 0.85 0.82 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 0.00 143 A 8.15 3.90 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 0.00 144 K 7.89 3.95 0.00 1.39 1.62 0.00 1.46 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 0.96 7.81 145 A 7.48 3.94 1.30 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 0.00 0.00 146 Q 7.54 4.53 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.73 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 147 G 7.98 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.51 4.17 1.94 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 1.17 1.10 0.85 0.00 0.00 149 E 8.69 4.22 0.00 1.84 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 2.39 2.29 0.00 150 A 8.40 5.08 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 0.00 151 Y 9.01 5.23 0.00 2.88 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 0.00 152 F 8.58 5.10 0.00 1.51 2.49 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 0.00 153 L 7.82 4.57 0.00 1.44 1.35 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.41 4.47 0.00 1.53 1.65 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 2.16 2.29 0.00 155 A 8.23 4.79 1.16 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 0.00 156 A 8.15 4.61 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 0.00 0.00 157 E 8.61 4.61 0.00 1.90 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 2.18 2.25 0.00 158 E 8.57 4.52 0.00 1.89 1.75 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 2.16 2.28 0.00 159 E 8.85 4.59 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 2.22 2.20 0.00 160 V 8.22 4.47 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 0.76 0.00 0.00 0.92 0.00 0.00 161 E 8.72 4.66 0.00 1.94 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 2.20 2.28 0.00 162 L 8.36 4.78 0.00 1.56 1.53 0.92 0.86 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 0.00 163 V 8.21 4.30 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 0.00 164 L 8.19 4.74 0.00 1.66 1.56 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 165 D 8.28 4.20 0.00 2.73 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 * Residues marked with a * may have inaccurate shift predictions.