NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7941 8.2833 118.0866 52.9479 39.6385 170.5629 3 I 5.3494 7.6355 120.5138 57.8943 40.0234 173.0590 4 G 2.8608 8.2262 114.7049 43.6199 0.0000 171.4630 5 V 4.1029 8.5142 126.0853 62.4674 33.2842 174.8419 6 I 4.7349 8.5689 129.4529 59.7065 38.8964 174.5001 7 I 4.4050 8.3685 129.4400 60.4411 38.6079 175.1583 8 L 4.7274 8.8411 127.8681 52.7290 43.3771 177.2507 9 A 4.1423 8.3290 126.1654 51.8100 18.2911 174.6991 10 A 3.5455 8.3132 126.6857 53.2761 17.8302 180.2222 *20 K 4.3243 7.7753 115.6421 53.1606 35.1713 180.4700 21 L 4.1983 7.7183 118.9463 57.3097 41.7997 178.8467 22 L 4.4953 7.6534 116.1255 54.2195 41.8764 175.7108 23 A 4.2287 8.1899 124.2462 51.1917 18.9567 178.7272 24 K 4.4886 8.3682 122.6035 56.8161 32.8621 177.6471 25 I 4.2118 8.4567 121.6283 61.6551 38.9415 174.7776 26 D 4.2059 9.0497 127.0108 55.5707 37.5070 175.4523 27 N 4.6242 8.7127 115.7736 53.1015 36.8609 174.4421 28 T 4.5950 7.1947 108.0309 58.4266 70.8063 172.1460 29 P 4.7109 0.0000 0.0000 62.5603 32.1264 175.7896 30 I 3.6542 8.7670 122.9088 64.4294 38.0147 178.8799 31 I 3.8792 7.7291 119.3622 61.2179 37.5938 177.7659 *33 R 4.1904 8.2151 118.5613 56.1899 31.9002 177.8252 34 T 3.9220 7.9592 114.5436 66.9533 68.5344 176.3293 35 I 3.8284 8.0383 121.6984 64.3779 37.1065 177.5977 36 R 4.3867 7.6059 113.2685 56.4588 29.5278 177.6878 37 I 3.9002 7.7300 113.5711 62.6695 38.3106 176.3190 38 Y 4.2096 7.3335 117.3908 57.8303 38.2040 177.2381 39 G 3.7845 8.1815 110.4211 45.8999 0.0000 178.1221 40 D 4.5449 8.8882 128.5094 54.6615 39.6456 176.2033 41 L 4.2969 7.6974 117.9405 55.2925 42.3993 176.7535 42 E 4.4285 8.7570 122.3203 56.5439 30.4395 176.0806 43 K 5.8368 8.8576 122.2119 54.9046 36.5697 175.4078 44 I 4.6562 8.0636 113.1266 59.5659 41.1063 173.6132 45 I 4.6294 8.3493 127.3112 60.1265 38.8904 174.5956 46 I 4.6655 8.6206 129.0587 60.0219 38.9836 175.3275 47 V 4.9578 8.3022 120.1420 59.7096 35.2838 174.3797 48 G 3.4489 8.3894 110.4224 44.8698 0.0000 174.2649 49 K 2.0000 5.8206 117.6376 59.0577 33.7245 175.2359 50 Y 5.0313 7.5011 112.0434 57.7844 38.0851 178.2274 51 V 3.4556 7.5563 119.9568 65.2682 31.5746 177.2160 52 N 4.3142 8.1484 119.2492 55.5390 38.7950 175.9774 53 E 4.1410 8.5645 115.9163 57.1885 29.5398 178.0003 *55 L 4.1816 7.9768 122.7853 54.5342 43.5035 176.9055 56 P 4.3624 0.0000 0.0000 64.5998 31.2185 176.6018 57 L 4.2814 7.7419 117.5528 55.2046 42.4208 176.5844 58 L 4.3947 7.7012 120.1734 52.7632 41.2335 176.4036 *60 D 4.5895 8.2684 120.3040 52.3711 41.1870 175.7107 61 Q 4.6630 7.7717 118.0912 53.9806 31.9722 175.0577 62 I 4.0145 8.0577 120.8129 61.1162 38.1946 175.0391 63 V 4.7244 8.3138 127.1754 60.9856 33.8938 174.4390 64 I 4.3798 8.4290 128.7714 59.6448 39.4096 173.9296 65 Y 4.7428 8.6109 128.9952 56.7897 39.6952 174.0713 66 N 4.4295 7.9906 126.8516 51.3418 38.6879 173.0672 67 P 4.1229 0.0000 0.0000 65.0441 31.6949 176.7673 68 F 4.9846 7.5194 117.9884 57.0867 39.4219 178.1682 69 W 4.2503 8.0990 120.9110 59.5381 28.2482 177.8980 70 N 3.7440 6.8029 115.2785 55.7197 37.9061 175.5241 71 E 4.0786 7.6022 115.2994 56.4212 29.6995 177.0063 72 G 4.0780 8.2470 109.0471 44.7904 0.0000 175.1172 73 I 3.7023 9.2738 123.6328 64.1030 37.7729 178.2172 74 S 4.1848 7.8487 114.8666 61.6668 62.5514 176.6138 75 T 3.9517 8.0728 113.3984 64.7104 68.4716 176.7957 76 S 4.1074 8.0204 117.5515 61.2760 62.9596 176.2372 77 L 4.0103 7.8473 122.6435 57.7484 41.5527 179.2193 78 K 3.9305 7.8983 117.9717 59.4654 32.3590 178.4973 79 L 4.1449 7.7889 120.6610 58.3359 41.8578 178.9532 80 G 3.8043 8.2372 105.3634 48.0990 0.0000 175.0722 81 L 3.9834 7.8582 122.1794 57.9687 42.2118 178.9987 82 R 3.9190 8.0276 118.0769 59.5066 29.8319 178.4510 83 F 3.9321 7.7834 113.7246 58.6638 38.6784 175.8130 84 F 4.8719 8.2318 118.5874 56.9602 40.4694 177.2968 85 K 4.0236 7.6183 125.1134 57.8673 31.4630 182.4216 86 D 4.9925 8.2453 112.9527 54.0146 40.7750 181.4101 87 Y 4.4489 9.5125 116.0841 58.6174 38.7256 175.6361 88 D 4.7144 8.9894 121.8545 57.6796 42.0956 176.2583 89 A 4.8991 7.8510 116.9848 51.3857 22.6707 175.5208 90 V 4.5126 8.7545 112.2361 59.3890 35.7114 175.0387 91 L 4.4935 8.2408 126.0472 53.6497 43.2549 175.8220 92 V 4.3056 8.5607 128.3620 61.9922 31.5003 174.5035 93 A 4.7418 8.3405 129.1242 50.1321 21.4570 175.1455 94 L 4.8514 8.2084 119.1351 52.7969 43.7823 178.1465 95 G 3.3003 9.2154 111.2876 47.9788 0.0000 174.5586 96 D 4.6387 7.0952 122.2929 53.3714 39.8010 174.8278 *98 P 4.1360 0.0000 0.0000 62.1794 33.2260 176.8919 99 F 4.7588 7.3745 117.0075 57.4645 39.7300 175.7141 100 V 3.6996 7.6448 121.5420 63.2251 31.9873 176.1569 101 T 4.2838 8.8015 123.9543 62.7473 70.6778 176.0587 102 K 3.8480 8.3914 124.0033 59.4444 32.2741 179.0040 103 E 3.8815 8.0374 119.2705 59.3479 29.6338 177.9990 104 D 4.4246 8.1203 118.5025 57.5895 40.8562 179.1414 105 V 3.5859 7.6452 118.2677 66.1677 31.5132 177.6827 106 N 4.3484 8.0972 116.1796 56.5835 38.3852 177.0103 107 K 4.0009 8.5430 119.9671 59.8697 31.9693 179.0800 108 I 3.7507 8.0509 120.1668 64.6715 37.1670 178.1554 109 I 4.1018 7.6182 119.5076 63.9252 37.4158 177.1716 110 N 4.5345 9.0576 118.2488 56.4044 38.5442 176.2666 111 T 4.5240 7.9848 106.7729 61.9057 68.8232 175.4095 112 F 4.7238 7.7228 129.2053 58.0837 37.9584 176.0258 113 K 4.1724 7.7046 128.0800 52.1502 32.9056 175.9758 114 P 4.2360 0.0000 0.0000 65.8874 31.0856 177.1424 115 N 4.8904 7.7518 113.4373 52.7851 39.7134 174.7516 116 C 4.5932 7.9918 117.2822 56.6487 35.2608 173.6564 117 K 4.6063 8.9060 122.3510 55.7217 33.4413 175.6373 118 A 4.7496 7.3551 120.0740 51.4824 22.6467 175.2206 119 V 4.8193 8.5157 118.8366 61.2932 35.1845 174.1926 120 I 5.0038 8.8158 128.4322 58.6901 40.1165 173.4815 121 P 4.8764 0.0000 0.0000 63.1470 32.8653 175.3086 122 T 5.2807 8.8471 110.6086 60.8699 72.9904 172.3968 123 H 5.5057 9.2578 122.9255 55.3022 33.4242 173.6539 124 K 3.7542 9.8183 127.1364 57.5908 29.5385 175.7387 125 G 3.9295 8.3973 103.2093 45.4250 0.0000 173.0027 126 E 4.7545 8.0128 118.8627 54.0661 32.7272 175.0280 127 R 4.9394 8.4678 118.1089 54.8346 31.7599 176.3689 128 G 4.8251 8.6611 111.2624 44.1670 0.0000 171.1105 129 N 5.3155 8.3788 117.9558 50.5574 43.5867 172.3215 130 P 4.5614 0.0000 0.0000 62.9857 32.8174 175.6469 131 V 4.2099 7.9471 120.4800 61.5210 33.3522 174.3613 132 L 4.6947 8.5547 130.7610 54.3939 43.3891 175.1311 133 I 4.7781 8.5008 127.7503 59.3720 40.0719 175.7384 134 S 4.5853 8.6107 124.2482 58.0555 64.4530 175.9890 135 K 2.0000 9.1992 127.2944 59.5125 30.9580 179.9302 136 S 4.2192 7.8433 113.5573 61.0477 62.7666 175.7348 137 L 4.4541 7.8326 120.7017 54.9787 41.9708 178.1349 138 F 4.5084 7.8818 119.1819 61.0687 39.0701 176.9390 139 N 4.3754 8.6737 118.0730 57.1888 36.7639 177.3010 140 E 4.0605 8.3599 120.5129 60.6610 29.5771 180.5043 141 I 4.3014 7.7871 112.5333 62.2266 37.6360 177.4661 142 E 4.0377 8.0110 122.4660 59.2098 29.6117 178.6993 143 K 4.2377 7.7350 121.7773 56.7805 32.4205 181.3315 144 L 4.2409 6.6305 119.0709 56.3861 42.4564 176.5344 145 R 4.5750 8.3677 122.9630 55.9903 34.1946 175.2193 146 G 3.8109 8.7612 106.5511 44.5529 0.0000 172.4114 147 D 4.4565 8.2849 115.2175 54.7089 41.5554 177.4168 148 V 4.5120 7.3226 110.3048 60.0348 35.4391 177.5726 149 G 3.9447 7.7064 115.8269 44.3034 0.0000 175.2292 150 A 3.9575 9.1440 127.6663 55.1215 18.0206 179.1373 151 R 3.8020 8.1133 116.3605 60.0906 29.7663 178.2283 152 V 3.6178 7.8489 116.6902 66.2195 31.6778 177.6605 153 I 3.9685 7.6628 112.5441 63.8197 37.5954 178.1903 154 L 4.0115 8.0763 120.7735 57.6564 41.2836 179.1381 155 N 4.4301 8.1559 117.5261 56.4964 38.4917 177.7328 156 K 4.2059 7.9148 124.4725 57.5401 32.0573 181.9836 157 I 4.6375 7.2043 112.7246 59.9328 39.7787 176.0583 158 K 4.2876 8.0182 123.2256 53.7958 32.5278 179.1624 159 I 3.2652 8.7327 125.8834 63.8700 37.9796 178.2464 160 E 4.1082 8.2705 114.8873 58.2745 29.8330 182.0034 161 E 4.6743 9.3119 116.6919 56.1808 31.0686 174.9831 162 L 4.8480 7.6891 122.4801 53.7338 43.5839 175.5865 163 C 4.1901 8.6650 124.4227 55.7083 42.8223 172.2606 164 F 5.2684 7.5688 112.7371 57.6636 39.7236 172.9314 165 I 4.6720 7.9675 111.4130 60.2062 40.8781 172.9604 166 E 5.1342 8.7663 122.5876 55.9794 31.3716 175.2042 167 C 5.2429 8.7337 120.5181 57.6551 32.8805 173.4195 168 S 4.3307 9.2933 115.0078 58.1882 63.2447 174.9221 169 E 3.5888 8.4425 120.0459 58.5347 29.0339 178.4202 170 G 4.0384 7.8652 107.4090 47.2107 0.0000 175.1994 171 V 4.1417 7.6388 119.5256 63.8487 31.2349 176.8393 172 L 4.5447 8.2387 115.6651 55.2584 43.9256 176.5899 173 I 4.0641 7.5432 119.7920 61.0070 36.7495 175.0583 174 D 4.7647 8.7518 124.2481 52.0741 39.7472 176.2720 175 I 3.6916 7.9541 125.2644 62.0579 38.9702 173.1156 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 N 8.28 4.79 0.00 2.93 2.57 0.00 0.00 6.79 6.61 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 3 I 7.64 5.35 1.92 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 1.29 0.70 0.85 0.00 0.00 4 G 8.23 2.86 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 5 V 8.51 4.10 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 0.25 0.00 0.00 0.84 0.00 0.00 6 I 8.57 4.73 1.78 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 1.39 1.00 0.86 0.00 0.00 7 I 8.37 4.40 1.77 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 0.87 0.49 0.84 0.00 0.00 8 L 8.84 4.73 0.00 1.54 1.55 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.33 4.14 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 10 A 8.31 3.55 0.91 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 *20 K 7.78 4.32 0.00 1.72 1.82 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 21 L 7.72 4.20 0.00 1.68 1.75 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.65 4.50 0.00 1.49 1.59 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.19 4.23 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 24 K 8.37 4.49 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 25 I 8.46 4.21 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 1.35 0.99 0.99 0.00 0.00 26 D 9.05 4.21 0.00 2.85 2.82 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 27 N 8.71 4.62 0.00 2.87 3.10 0.00 0.00 6.98 7.54 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 28 T 7.19 4.59 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 1.20 0.00 0.00 29 P 0.00 4.71 0.00 2.16 2.06 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 30 I 8.77 3.65 1.77 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 1.01 1.72 0.96 0.00 0.00 31 I 7.73 3.88 1.84 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 1.27 1.26 0.93 0.00 0.00 *33 R 8.22 4.19 0.00 2.00 1.88 0.00 3.10 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 34 T 7.96 3.92 4.42 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 1.38 0.00 0.00 35 I 8.04 3.83 1.89 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 1.58 1.04 0.94 0.00 0.00 36 R 7.61 4.39 0.00 2.08 2.16 0.00 2.76 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 37 I 7.73 3.90 1.60 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.26 0.86 0.00 0.00 38 Y 7.33 4.21 0.00 3.39 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 39 G 8.18 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 0.00 0.00 0.00 40 D 8.89 4.54 0.00 2.71 2.61 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 41 L 7.70 4.30 0.00 1.92 1.68 1.05 0.74 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 42 E 8.76 4.43 0.00 2.09 2.16 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 2.56 2.53 0.00 43 K 8.86 5.84 0.00 1.69 1.71 0.00 1.18 0.00 0.00 2.46 0.00 0.00 3.23 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.25 7.81 44 I 8.06 4.66 1.53 0.00 0.00 0.55 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 0.69 0.64 0.00 0.00 45 I 8.35 4.63 1.81 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 1.19 0.46 0.85 0.00 0.00 46 I 8.62 4.67 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.40 0.89 0.00 0.00 47 V 8.30 4.96 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 0.65 0.00 0.00 0.98 0.00 0.00 48 G 8.39 3.45 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 49 K 5.82 2.00 0.00 0.79 0.74 0.00 1.38 0.00 0.00 0.78 0.00 0.00 2.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.71 7.81 50 Y 7.50 5.03 0.00 3.01 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 51 V 7.56 3.46 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 0.68 0.00 0.00 0.96 0.00 0.00 52 N 8.15 4.31 0.00 2.71 2.94 0.00 0.00 6.93 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 53 E 8.56 4.14 0.00 2.21 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 2.24 2.25 0.00 *55 L 7.98 4.18 0.00 1.78 1.66 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.36 0.00 2.20 2.15 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 57 L 7.74 4.28 0.00 1.63 1.73 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.70 4.39 0.00 1.65 1.56 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *60 D 8.27 4.59 0.00 2.81 2.82 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 61 Q 7.77 4.66 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 62 I 8.06 4.01 1.76 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 1.21 0.74 0.66 0.00 0.00 63 V 8.31 4.72 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 0.84 0.00 0.00 0.94 0.00 0.00 64 I 8.43 4.38 1.70 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.18 0.85 0.00 0.00 65 Y 8.61 4.74 0.00 2.90 2.84 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 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4.11 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 75 T 8.07 3.95 4.40 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 1.25 0.00 0.00 76 S 8.02 4.11 0.00 4.06 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 77 L 7.85 4.01 0.00 1.75 1.82 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.90 3.93 0.00 1.81 1.87 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.78 7.81 79 L 7.79 4.14 0.00 1.89 1.62 0.98 1.18 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 80 G 8.24 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 0.00 0.00 0.00 81 L 7.86 3.98 0.00 1.80 1.81 -0.11 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.03 3.92 0.00 2.04 1.96 0.00 3.21 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.11 0.00 83 F 7.78 3.93 0.00 2.62 2.29 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 84 F 8.23 4.87 0.00 2.74 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 85 K 7.62 4.02 0.00 1.88 1.78 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.31 7.81 86 D 8.25 4.99 0.00 2.68 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 87 Y 9.51 4.45 0.00 3.29 3.35 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 88 D 8.99 4.71 0.00 2.90 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 89 A 7.85 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.75 4.51 1.91 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 0.41 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.93 0.00 0.00 109 I 7.62 4.10 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.63 0.99 0.00 0.00 110 N 9.06 4.53 0.00 2.82 2.89 0.00 0.00 6.77 6.63 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 0.00 111 T 7.98 4.52 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 1.32 0.00 0.00 112 F 7.72 4.72 0.00 2.86 3.25 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 0.00 113 K 7.70 4.17 0.00 1.72 1.69 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.03 7.81 114 P 0.00 4.24 0.00 1.93 2.02 0.00 3.46 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 115 N 7.75 4.89 0.00 2.59 2.75 0.00 0.00 6.99 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 0.00 116 C 7.99 4.59 0.00 3.26 3.38 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 0.00 117 K 8.91 4.61 0.00 1.87 1.84 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.23 7.81 118 A 7.36 4.75 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.52 4.82 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 1.06 0.00 0.00 1.12 0.00 0.00 120 I 8.82 5.00 2.03 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 1.34 0.76 0.98 0.00 0.00 121 P 0.00 4.88 0.00 2.16 2.22 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 122 T 8.85 5.28 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 1.21 0.00 0.00 123 H 9.26 5.51 0.00 3.24 3.17 0.00 5.97 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 9.82 3.75 0.00 1.80 1.74 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 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1.95 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 1.30 0.59 1.02 0.00 0.00 134 S 8.61 4.59 0.00 4.02 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 0.00 135 K 9.20 2.00 0.00 1.67 1.90 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.35 7.81 136 S 7.84 4.22 0.00 3.97 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 0.00 137 L 7.83 4.45 0.00 1.85 1.80 0.94 0.95 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 0.00 138 F 7.88 4.51 0.00 3.09 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 0.00 139 N 8.67 4.38 0.00 2.95 3.18 0.00 0.00 6.21 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 0.00 140 E 8.36 4.06 0.00 2.01 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 2.24 2.19 0.00 141 I 7.79 4.30 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.66 1.06 0.00 0.00 142 E 8.01 4.04 0.00 2.28 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 2.36 2.62 0.00 143 K 7.73 4.24 0.00 1.87 1.71 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.31 7.81 144 L 6.63 4.24 0.00 1.49 1.73 0.94 0.95 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 0.00 145 R 8.37 4.57 0.00 1.76 1.73 0.00 3.18 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 146 G 8.76 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 0.00 147 D 8.28 4.46 0.00 2.63 2.66 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 0.00 148 V 7.32 4.51 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 0.77 0.00 0.00 1.00 0.00 0.00 149 G 7.71 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 0.00 150 A 9.14 3.96 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 0.00 151 R 8.11 3.80 0.00 1.90 1.97 0.00 3.22 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 152 V 7.85 3.62 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 0.96 0.00 0.00 0.94 0.00 0.00 153 I 7.66 3.97 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 1.79 0.60 0.95 0.00 0.00 154 L 8.08 4.01 0.00 1.92 1.79 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.16 4.43 0.00 2.73 2.91 0.00 0.00 6.97 7.74 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 0.00 156 K 7.91 4.21 0.00 1.88 1.73 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.39 1.31 7.81 157 I 7.20 4.64 1.90 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 1.44 1.10 0.93 0.00 0.00 158 K 8.02 4.29 0.00 1.53 1.72 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.24 7.81 159 I 8.73 3.27 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 0.96 0.00 0.00 160 E 8.27 4.11 0.00 2.03 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 2.23 1.90 0.00 161 E 9.31 4.67 0.00 1.79 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 2.24 2.23 0.00 162 L 7.69 4.85 0.00 1.72 1.66 1.01 1.33 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 0.00 163 C 8.66 4.19 0.00 2.98 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 0.00 164 F 7.57 5.27 0.00 3.03 3.12 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 0.00 165 I 7.97 4.67 1.94 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 1.41 0.87 0.96 0.00 0.00 166 E 8.77 5.13 0.00 1.96 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 2.48 2.29 0.00 167 C 8.73 5.24 0.00 2.82 3.10 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 0.00 0.00 0.00 0.00 168 S 9.29 4.33 0.00 3.95 4.02 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 0.00 0.00 0.00 169 E 8.44 3.59 0.00 1.79 1.84 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 2.29 2.33 0.00 170 G 7.87 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 0.00 0.00 0.00 0.00 171 V 7.64 4.14 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 1.42 0.00 0.00 1.01 0.00 0.00 172 L 8.24 4.54 0.00 1.74 1.67 1.06 0.89 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 0.00 173 I 7.54 4.06 2.09 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.93 0.00 0.00 174 D 8.75 4.76 0.00 2.78 2.78 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 0.00 175 I 7.95 3.69 2.05 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 1.61 1.04 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.