NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 E 4.2276 8.4449 116.7524 54.9602 32.2972 175.5901 3 L 4.2853 7.9278 126.4917 53.7378 43.0493 174.2756 4 I 4.7870 8.3801 125.2640 59.7613 39.4563 175.2936 5 V 4.3996 8.7843 126.5399 61.1226 34.5979 173.8420 6 N 5.1158 8.9990 125.7322 52.2388 40.2161 174.2310 7 V 4.6980 8.7766 125.6895 61.5190 33.4226 174.5316 8 I 4.9635 9.0601 129.9555 59.6933 39.9390 174.3988 9 N 5.4770 9.6153 125.3514 51.8044 41.2028 175.5358 10 G 4.3400 8.9738 112.7379 43.4237 0.0000 170.8370 11 P 4.3994 0.0000 0.0000 64.5611 31.7622 176.6257 12 N 4.4258 9.4160 117.9187 53.6674 37.2213 176.0790 13 L 4.1244 7.5881 118.6739 56.5320 42.0363 178.9546 14 G 3.5738 7.9366 106.2275 47.3108 0.0000 174.2460 15 R 4.3292 7.5822 118.1619 55.7740 30.7940 176.3401 16 L 4.0009 7.3143 119.5366 56.6196 42.1401 176.9823 17 G 4.2468 8.9994 116.7590 46.1484 0.0000 175.1902 18 R 4.1706 7.7512 115.7477 56.9799 30.4671 176.8542 19 R 3.8552 8.0303 119.5223 57.9245 30.7232 177.3265 20 E 3.8019 8.6667 122.4639 56.7170 26.3378 174.2298 21 P 4.5587 0.0000 0.0000 65.2624 31.5237 178.4973 22 A 3.9966 8.0004 119.0001 54.0969 18.3577 178.7917 23 V 3.7435 7.4443 115.3736 64.6099 32.3678 176.5249 24 Y 4.7759 8.1414 112.6683 56.5637 38.9390 176.4217 25 G 3.9684 8.4196 107.3764 45.3809 0.0000 174.0596 26 G 4.0770 8.2319 104.8558 45.3552 0.0000 173.9394 27 T 4.2646 7.6876 117.7869 63.1146 69.2598 175.3757 28 T 4.9483 8.4607 118.6078 60.9710 71.0701 175.3352 29 H 4.0672 8.6158 120.6296 59.3223 29.9804 176.9707 30 D 4.3375 8.0845 120.3270 57.5667 40.7429 178.5373 31 E 3.9663 8.1608 118.9747 59.0973 29.3314 179.2407 32 L 3.7955 7.8646 120.5196 57.9155 42.1539 178.9798 33 V 3.3736 7.8600 118.3445 66.0877 31.5121 177.7960 34 A 3.9541 7.7716 120.0835 55.0520 18.2005 179.3595 35 L 3.8762 7.9096 118.7864 58.3045 42.1246 179.2893 36 I 3.6827 7.8453 119.8399 64.4296 37.0263 178.2591 37 E 3.9367 8.1555 119.3866 59.3981 29.3598 179.7246 38 R 3.8748 7.8934 117.8884 59.2352 30.0842 178.7140 39 E 3.9185 8.1495 118.8489 59.1455 29.6372 178.6634 40 A 3.9611 8.2310 120.6710 55.2546 18.3702 179.5218 41 A 4.1854 8.0229 119.2307 55.3431 18.1698 179.7333 42 E 3.9688 8.0073 116.1788 58.8760 29.6032 178.4699 43 L 4.4595 7.5104 116.4052 54.0849 42.0455 177.0723 44 G 3.8607 7.6903 107.2165 46.0947 0.0000 173.2915 45 L 4.9401 8.1938 118.1367 52.3254 45.2558 176.2355 46 K 4.4579 8.8979 122.4762 54.7622 34.0226 174.6670 47 A 4.8079 8.5443 130.1250 51.0653 20.0851 176.3009 48 V 4.0328 8.9308 123.9419 61.3602 33.1671 174.5941 49 V 4.6601 8.1593 128.7053 61.3704 32.8015 175.0760 50 R 4.4864 8.9960 126.7534 54.2275 33.9747 174.2227 51 Q 5.2056 8.5808 122.5494 54.6737 32.3580 174.1223 52 S 4.7951 9.0865 119.0918 57.3464 66.0746 174.2705 53 D 4.6417 8.9346 124.5802 55.1147 41.4385 176.5688 54 S 4.5739 7.8981 115.5393 56.3043 63.8077 173.6624 55 E 3.8191 8.7237 129.6694 59.4498 29.4890 178.4111 56 A 3.8698 7.8864 120.1411 55.2495 18.3995 179.1833 57 Q 3.4120 7.5370 117.9834 59.1193 29.0197 178.5190 58 L 4.0299 7.5318 119.8945 57.6622 41.5395 179.4706 59 L 3.8260 8.0083 119.1654 57.6899 41.6014 178.9538 60 D 4.3130 7.8277 117.8545 57.2479 41.1879 178.3563 61 W 4.5287 7.9389 119.5898 59.9299 29.0863 178.5088 62 I 3.9931 7.9962 112.7498 63.8479 37.1909 177.8608 63 H 4.2904 8.4585 118.6812 59.1152 28.5407 177.6807 64 Q 4.0834 8.3039 119.4909 58.8194 28.5032 178.5456 65 A 4.0722 8.0976 121.2677 54.8725 17.9185 179.6073 66 A 3.9707 8.1256 119.6367 55.4951 18.2550 179.6551 67 D 4.3894 8.0437 116.2567 56.8996 41.0240 177.9253 68 A 4.3166 8.0777 118.2108 50.9514 19.6575 176.5216 69 A 3.7371 7.3059 118.1508 53.0312 16.8542 176.9072 70 E 4.7027 8.0358 118.7086 54.9574 31.6238 175.9620 71 P 4.6317 0.0000 0.0000 62.9503 33.0987 175.2627 72 V 4.8488 8.6287 122.0648 61.2561 34.8630 174.1541 73 I 4.8640 9.1191 129.1983 59.7256 39.2037 174.3155 74 L 5.1326 9.0570 130.3316 53.2483 44.9231 174.6049 75 N 5.3910 9.3695 125.6606 51.1191 39.8923 174.5952 76 A 4.3503 8.8154 128.5207 51.8200 20.2281 178.3245 77 G 3.9779 8.1574 105.7366 46.2938 0.0000 178.0088 78 G 3.7297 8.7304 111.9204 48.1781 0.0000 175.1049 79 L 4.1885 7.7272 121.3171 57.0375 41.4512 179.2056 80 T 3.8988 7.4952 116.3385 66.8877 68.2334 174.9169 81 H 4.9284 7.7684 114.4336 56.1660 29.4266 175.8350 82 T 4.5765 7.7231 109.1839 61.7437 70.5065 173.1680 83 S 4.5533 8.3459 117.7462 56.7066 62.1866 174.5293 84 V 3.2651 7.9074 128.5159 65.4283 31.3515 177.4047 85 A 3.9347 7.8431 120.3149 55.1219 18.2209 179.2116 86 L 3.8692 8.0495 118.8120 58.1484 42.2179 178.9895 87 R 3.9092 7.6064 117.8242 59.7467 29.7903 178.1949 88 D 4.3677 8.2926 117.4677 57.2393 41.0410 178.4523 89 A 4.1937 7.9964 121.1608 55.4708 18.6034 179.5627 90 C 4.2004 8.3316 114.7886 62.5566 27.9102 175.9635 91 A 4.1616 7.7975 121.3248 54.4218 17.9754 178.8240 92 E 4.1936 8.0283 116.2990 57.2684 29.8973 177.3608 93 L 4.1196 7.2149 119.7021 54.9728 42.1108 176.9402 94 S 4.4186 8.6867 117.7159 59.9751 64.2238 174.7079 95 A 4.3526 7.6859 120.8111 50.4429 19.3862 175.6727 96 P 4.3404 0.0000 0.0000 63.2085 32.8792 175.1308 97 L 5.1424 8.7477 125.2223 53.4074 44.7450 174.8905 98 I 4.7358 8.8285 127.9344 59.4682 39.2593 174.2982 99 E 4.7083 8.8976 129.3435 55.3173 31.1890 175.1170 100 V 4.6407 8.4269 126.3616 61.3053 34.9592 173.7744 101 H 4.9728 9.0354 124.1236 54.1615 32.1099 174.5217 102 I 4.0399 8.8261 124.1840 64.3684 37.9272 176.7685 103 S 4.5809 8.0703 114.3337 56.9675 64.4219 173.9184 104 N 4.5585 8.2782 120.3094 52.7804 37.2591 175.8954 105 V 3.5629 8.0581 119.4960 63.9158 31.9282 178.1146 106 H 4.3619 7.9845 114.9212 57.1679 28.7617 175.7216 107 A 4.5700 7.8583 121.3617 51.7901 19.5999 177.4666 108 R 4.7356 6.9027 115.5982 55.5692 31.9053 175.6061 109 E 3.9317 8.1763 120.6243 57.0864 30.3491 177.6490 110 E 3.9055 8.7148 121.8711 59.4942 29.6801 179.3980 111 F 4.4461 7.7833 111.9565 58.9890 37.9982 175.9164 112 R 3.7957 7.1970 119.0784 56.8352 30.1574 176.9347 113 R 4.2792 7.6372 116.5990 56.3242 30.5413 176.2750 114 H 4.9343 7.5176 113.5282 54.0684 29.4223 174.0571 115 S 4.2747 8.0831 112.7323 59.2931 62.9305 173.7476 116 Y 4.3291 8.5610 125.1264 60.6458 38.2805 177.2261 117 L 4.2813 8.0715 119.6852 57.4171 42.4938 178.8537 118 S 4.3036 8.1468 114.4240 60.5042 62.8228 175.2671 119 P 4.3518 0.0000 0.0000 64.4063 31.1447 176.9232 120 I 4.2664 7.6067 109.3355 60.3446 38.5276 175.7963 121 A 4.3353 7.4761 124.4203 52.0862 19.2011 177.9041 122 T 4.0521 8.7295 117.4978 66.4381 68.8724 174.9848 123 G 4.0902 7.5812 105.7770 45.1486 0.0000 171.2865 124 V 4.9188 8.0435 118.7457 60.9864 34.6059 174.3644 125 I 4.5143 8.8307 128.6181 59.4839 39.5037 174.7590 126 V 4.6649 7.9576 125.9798 61.9820 34.9663 176.0741 127 G 4.1023 8.8736 114.7718 46.1845 0.0000 173.6378 128 L 4.4635 7.4754 117.7652 53.7239 42.4257 178.9448 129 G 3.8072 7.8316 107.8334 46.3578 0.0000 175.8568 130 I 3.9835 8.3359 117.5914 64.0729 38.0288 178.2859 131 Q 4.1918 8.2687 120.0720 58.5071 28.8645 177.9016 132 G 3.6752 7.9387 107.0219 48.1348 0.0000 175.1201 133 Y 4.0750 7.7289 118.3001 61.0158 37.9615 178.9091 134 L 4.1213 7.9377 119.3284 57.7138 41.8429 179.4009 135 L 4.0710 8.5002 119.3502 57.5622 41.6595 179.2942 136 A 4.0387 8.1072 120.8999 55.1362 18.3167 179.5996 137 L 4.0100 7.9590 117.3601 58.0853 41.3984 179.8175 138 R 3.9711 7.9190 118.1452 59.3230 29.7393 177.9767 139 Y 4.0969 7.8640 118.8143 60.7673 39.1769 177.7975 140 L 4.0615 8.0998 119.2086 57.5245 41.4456 179.3247 141 A 4.0265 7.9011 120.2935 54.8303 18.3871 178.8524 142 E 4.1450 7.7129 114.9099 57.2929 31.1291 176.5394 143 H 4.6995 7.3707 114.6983 54.0838 28.8957 173.9023 144 V 3.8892 7.4086 121.9901 62.9117 31.3766 175.1760 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 8.44 4.23 0.00 2.01 1.73 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 2.13 1.91 0.00 3 L 7.93 4.29 0.00 1.67 1.65 0.96 0.40 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 4 I 8.38 4.79 1.87 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 1.22 0.66 0.89 0.00 0.00 5 V 8.78 4.40 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 0.95 0.00 0.00 0.95 0.00 0.00 6 N 9.00 5.12 0.00 2.69 2.68 0.00 0.00 6.17 7.26 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 7 V 8.78 4.70 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 0.96 0.00 0.00 0.96 0.00 0.00 8 I 9.06 4.96 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.80 1.18 0.00 0.00 9 N 9.62 5.48 0.00 2.66 2.78 0.00 0.00 6.39 7.45 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 10 G 8.97 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 0.00 0.00 0.00 11 P 0.00 4.40 0.00 2.06 2.03 0.00 4.04 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 12 N 9.42 4.43 0.00 2.87 2.92 0.00 0.00 6.86 6.52 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 13 L 7.59 4.12 0.00 1.87 1.74 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.94 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.58 4.33 0.00 1.98 1.94 0.00 3.31 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 16 L 7.31 4.00 0.00 1.78 1.87 0.95 0.83 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 17 G 9.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.75 4.17 0.00 1.95 2.08 0.00 3.05 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 19 R 8.03 3.86 0.00 1.82 1.97 0.00 3.29 0.00 0.00 2.85 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 20 E 8.67 3.80 0.00 2.42 2.26 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 2.42 2.44 0.00 21 P 0.00 4.56 0.00 2.29 2.35 0.00 3.90 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.92 0.00 22 A 8.00 4.00 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 23 V 7.44 3.74 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 -0.06 0.00 0.00 0.77 0.00 0.00 24 Y 8.14 4.78 0.00 2.99 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 25 G 8.42 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.23 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.69 4.26 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 1.24 0.00 0.00 28 T 8.46 4.95 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 29 H 8.62 4.07 0.00 3.32 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.08 4.34 0.00 2.72 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 31 E 8.16 3.97 0.00 2.17 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 2.31 2.30 0.00 32 L 7.86 3.80 0.00 1.69 1.62 0.57 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.86 3.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.82 0.00 0.00 34 A 7.77 3.95 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 35 L 7.91 3.88 0.00 1.94 1.71 0.92 0.98 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 36 I 7.85 3.68 1.90 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 1.48 0.40 0.89 0.00 0.00 37 E 8.16 3.94 0.00 2.14 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 2.29 2.44 0.00 38 R 7.89 3.87 0.00 2.02 1.96 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 39 E 8.15 3.92 0.00 2.19 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 2.33 2.39 0.00 40 A 8.23 3.96 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 41 A 8.02 4.19 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 42 E 8.01 3.97 0.00 2.44 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 2.34 2.22 0.00 43 L 7.51 4.46 0.00 1.74 1.70 0.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.69 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 45 L 8.19 4.94 0.00 1.55 1.55 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.90 4.46 0.00 1.78 1.65 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.34 7.81 47 A 8.54 4.81 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 48 V 8.93 4.03 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 0.82 0.00 0.00 0.88 0.00 0.00 49 V 8.16 4.66 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 0.72 0.00 0.00 0.84 0.00 0.00 50 R 9.00 4.49 0.00 0.76 0.66 0.00 2.75 0.00 0.00 2.55 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 51 Q 8.58 5.21 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.01 0.00 52 S 9.09 4.80 0.00 3.93 3.56 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 53 D 8.93 4.64 0.00 2.69 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 54 S 7.90 4.57 0.00 3.81 3.58 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 55 E 8.72 3.82 0.00 2.04 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 2.33 2.35 0.00 56 A 7.89 3.87 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 57 Q 7.54 3.41 0.00 1.75 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 58 L 7.53 4.03 0.00 1.88 1.75 0.95 0.95 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 59 L 8.01 3.83 0.00 1.72 1.52 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.83 4.31 0.00 2.78 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 W 7.94 4.53 0.00 3.63 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 62 I 8.00 3.99 1.93 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 1.53 0.52 1.10 0.00 0.00 63 H 8.46 4.29 0.00 3.43 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.30 4.08 0.00 2.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 65 A 8.10 4.07 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 66 A 8.13 3.97 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.04 4.39 0.00 2.85 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 68 A 8.08 4.32 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 69 A 7.31 3.74 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 70 E 8.04 4.70 0.00 1.88 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 2.28 2.46 0.00 71 P 0.00 4.63 0.00 2.10 2.02 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 72 V 8.63 4.85 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 1.05 0.00 0.00 1.02 0.00 0.00 73 I 9.12 4.86 1.95 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 1.14 0.49 0.96 0.00 0.00 74 L 9.06 5.13 0.00 1.73 1.50 1.07 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.37 5.39 0.00 2.86 3.09 0.00 0.00 6.96 7.17 0.00 0.00 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 8.82 4.35 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 77 G 8.16 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 78 G 8.73 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 79 L 7.73 4.19 0.00 1.86 1.76 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.50 3.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 81 H 7.77 4.93 0.00 3.23 3.58 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.72 4.58 4.30 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 1.34 0.00 0.00 83 S 8.35 4.55 0.00 3.85 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 84 V 7.91 3.27 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 0.90 0.00 0.00 0.32 0.00 0.00 85 A 7.84 3.93 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 86 L 8.05 3.87 0.00 1.75 1.67 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.61 3.91 0.00 1.98 2.06 0.00 3.46 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 88 D 8.29 4.37 0.00 2.80 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 89 A 8.00 4.19 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 90 C 8.33 4.20 0.00 3.17 3.02 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 91 A 7.80 4.16 1.40 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 0.00 0.00 92 E 8.03 4.19 0.00 2.25 2.05 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 2.35 2.36 0.00 93 L 7.21 4.12 0.00 1.78 1.65 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.69 4.42 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.69 4.35 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 96 P 0.00 4.34 0.00 2.20 2.17 0.00 3.58 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 2.19 2.19 0.00 97 L 8.75 5.14 0.00 1.77 1.51 1.00 0.98 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 98 I 8.83 4.74 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.89 0.77 0.00 0.00 99 E 8.90 4.71 0.00 2.00 1.73 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 2.03 2.15 0.00 100 V 8.43 4.64 1.58 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 0.16 0.00 0.00 0.74 0.00 0.00 101 H 9.04 4.97 0.00 3.02 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.83 4.04 2.17 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.43 1.12 0.00 0.00 103 S 8.07 4.58 0.00 3.79 3.60 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 0.00 104 N 8.28 4.56 0.00 2.73 2.73 0.00 0.00 6.93 7.71 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 0.00 105 V 8.06 3.56 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 0.72 0.00 0.00 106 H 7.98 4.36 0.00 3.28 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.86 4.57 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 6.90 4.74 0.00 1.76 1.58 0.00 3.01 0.00 0.00 3.10 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 109 E 8.18 3.93 0.00 1.16 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 2.33 2.24 0.00 110 E 8.71 3.91 0.00 2.00 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 2.36 2.26 0.00 111 F 7.78 4.45 0.00 3.05 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 0.00 112 R 7.20 3.80 0.00 1.62 1.74 0.00 2.93 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.00 113 R 7.64 4.28 0.00 1.64 1.79 0.00 3.16 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.43 0.00 114 H 7.52 4.93 0.00 3.02 3.09 0.00 5.73 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.08 4.27 0.00 3.86 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 0.00 116 Y 8.56 4.33 0.00 3.22 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.07 4.28 0.00 1.75 1.74 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.15 4.30 0.00 3.92 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 0.00 119 P 0.00 4.35 0.00 2.08 2.14 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 120 I 7.61 4.27 1.90 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 1.32 0.74 0.95 0.00 0.00 121 A 7.48 4.34 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 0.00 122 T 8.73 4.05 4.28 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 1.22 0.00 0.00 123 G 7.58 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 0.00 124 V 8.04 4.92 2.05 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 0.86 0.00 0.00 0.90 0.00 0.00 125 I 8.83 4.51 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.45 0.85 0.00 0.00 126 V 7.96 4.66 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 1.04 0.00 0.00 0.97 0.00 0.00 127 G 8.87 4.10 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 0.00 0.00 0.00 128 L 7.48 4.46 0.00 1.48 1.69 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.83 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 0.00 130 I 8.34 3.98 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.26 0.96 0.00 0.00 131 Q 8.27 4.19 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 132 G 7.94 3.68 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 0.00 0.00 0.00 133 Y 7.73 4.07 0.00 3.23 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 0.00 134 L 7.94 4.12 0.00 1.85 1.75 0.95 0.69 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 0.00 135 L 8.50 4.07 0.00 1.80 1.73 0.93 0.85 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 0.00 136 A 8.11 4.04 1.40 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 0.00 0.00 137 L 7.96 4.01 0.00 2.01 1.77 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.92 3.97 0.00 1.92 2.13 0.00 3.13 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 139 Y 7.86 4.10 0.00 3.01 3.18 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 0.00 140 L 8.10 4.06 0.00 1.97 1.73 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.90 4.03 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 0.00 142 E 7.71 4.15 0.00 1.85 1.83 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 2.27 2.32 0.00 143 H 7.37 4.70 0.00 2.62 2.99 0.00 5.83 0.00 0.00 0.00 0.00 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.41 3.89 2.05 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 0.76 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.