NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.5089 8.0249 121.4178 61.2931 38.8934 174.2915 3 E 4.4983 9.0580 126.7297 53.8328 31.6584 169.6310 4 V 4.8523 9.2437 126.0540 61.5744 33.4120 174.7243 5 K 4.9273 9.1621 126.4099 53.6285 36.7115 174.0532 6 P 5.0676 0.0000 0.0000 63.1885 31.9857 175.2405 7 I 4.8563 8.4102 114.5967 59.4095 41.2836 174.4046 8 N 4.7611 9.3477 120.1675 51.9529 40.1420 176.4779 9 A 3.4773 8.5362 121.7720 55.6181 17.9493 180.0992 10 E 2.5400 7.7729 115.9525 58.8335 29.2554 178.7311 11 D 4.4204 7.5515 117.7087 56.1499 41.1086 177.7527 12 T 4.1293 7.4107 110.2590 63.5451 69.1464 176.5245 13 Y 4.2214 7.0255 119.0018 60.9806 37.7630 177.9743 14 E 3.9469 8.1508 119.6481 59.5267 29.8170 178.8370 15 L 3.9941 7.8094 118.3666 57.5536 41.7544 179.3787 16 R 3.9110 8.2103 118.4518 59.4957 29.8445 178.6062 17 H 4.1297 8.5804 118.3119 59.3656 29.7229 177.4075 18 R 3.8804 8.1989 119.5140 58.5465 29.9260 177.5519 19 I 4.1658 7.6936 118.0500 62.9438 38.2797 177.3265 20 L 4.4049 7.8117 117.7025 55.9128 43.2092 177.7036 21 R 4.7653 7.5319 115.9510 54.6720 30.8034 174.8784 22 P 4.2555 0.0000 0.0000 64.5316 32.0261 177.1927 23 N 4.7610 8.0371 114.5333 52.9621 38.7673 174.2284 24 Q 4.7519 7.3727 117.2467 52.9777 31.8196 173.8111 25 P 4.4262 0.0000 0.0000 62.4117 32.1319 177.5137 26 I 3.5335 8.3096 120.0195 64.4871 37.4288 177.9686 27 E 3.7498 8.1292 117.8273 59.1124 29.3084 178.6428 28 A 4.2688 7.9966 119.7316 53.6767 19.6066 177.9339 29 C 3.9966 7.5443 116.8827 57.9757 26.9339 171.9278 *31 F 4.8814 7.7674 119.9516 57.0098 40.2702 176.4645 32 E 4.1087 8.8655 124.6943 59.2794 29.7789 179.3097 33 S 4.1019 8.0970 112.8815 60.6388 63.2308 175.8859 34 D 4.5061 8.0089 120.7376 56.7959 40.5984 177.0308 35 L 4.5998 7.8291 117.3661 54.3281 42.1383 176.3498 36 L 4.4229 7.6039 120.0172 53.1895 42.7042 176.2997 37 R 3.9985 8.4941 121.3952 58.4661 30.1234 176.8302 38 G 4.0388 9.1143 112.0224 45.3289 0.0000 173.0931 39 A 4.6608 7.6474 121.0917 52.6237 18.9175 177.4020 40 F 5.1462 9.0621 115.3492 55.9039 42.2805 173.0518 41 H 5.5167 9.0503 115.2348 54.2336 33.3312 172.3939 42 L 5.3798 9.4528 121.7463 52.9850 45.4394 175.7549 43 G 4.3078 9.4298 109.1827 44.3210 0.0000 171.7135 44 G 4.5132 8.7842 110.0580 44.3927 0.0000 171.8151 45 Y 5.3355 9.2941 123.4594 56.4418 41.2263 174.3836 46 Y 4.7677 8.9019 124.3197 56.4754 42.6015 175.2285 47 G 4.1273 9.7784 115.3139 46.6956 0.0000 173.8820 48 G 3.9634 8.9769 104.4283 44.8260 0.0000 173.7807 49 K 4.5493 8.0110 119.6718 53.7227 35.0944 175.2126 50 L 3.6618 8.5413 128.0012 54.9954 42.2120 176.0721 51 I 4.3487 8.3935 118.4830 60.3302 39.4702 174.8219 52 S 5.1579 7.4704 117.2211 57.2163 65.7604 172.5185 53 I 5.2530 8.5746 118.5957 59.7110 40.9075 174.2158 54 A 4.6906 8.5203 122.8634 51.1891 23.0684 175.5057 55 S 4.9896 8.3790 117.1667 56.6509 66.9964 173.3336 56 F 5.3175 8.7482 121.5966 56.1638 43.1085 173.4935 57 H 5.2203 8.7740 116.3697 54.1187 32.3609 172.3055 58 Q 3.4843 8.1457 121.2181 55.7940 29.4863 175.3687 59 A 4.5058 8.5160 127.6750 51.2414 22.6224 175.1457 60 E 4.6784 8.8834 123.3471 55.1937 30.9173 175.7244 61 H 4.0441 9.2824 126.4813 55.1659 30.3244 176.3691 62 S 4.0985 8.4484 121.6273 60.7567 62.8353 174.6928 63 E 4.4034 8.1008 117.8497 55.8079 29.8873 175.2747 64 L 4.5150 7.4504 118.6963 52.6855 44.5782 175.6487 65 Q 4.5021 9.3505 120.1789 52.6747 30.4109 174.9989 66 G 4.4067 8.3660 118.2310 44.8061 0.0000 172.1759 67 Q 4.0307 8.6416 126.1632 57.9927 29.6320 176.0078 68 K 4.8799 8.7633 119.7594 54.6968 34.8790 175.1125 69 Q 5.3683 9.6903 125.8288 54.4682 33.2086 173.9465 70 Y 5.0331 9.1314 118.8635 56.2952 42.0378 174.2586 71 Q 3.9145 8.5150 124.1048 54.0119 31.2510 173.8830 72 L 4.5310 8.2177 128.9126 54.0335 43.2511 175.8291 73 R 4.5063 8.3053 124.4593 55.0139 34.8187 170.8530 74 G 4.1281 8.8121 118.0087 44.9324 0.0000 173.1271 *76 A 4.1236 8.1643 125.0680 52.0937 20.3448 175.2016 77 T 4.9116 8.1056 116.8037 61.2134 72.2009 173.7887 78 L 4.1400 8.9223 128.5601 54.6770 43.3570 176.2633 79 E 4.1617 8.8115 125.2366 58.4514 29.9087 176.7805 80 G 3.8002 9.1984 110.6000 45.3932 0.0000 173.5952 81 Y 4.4184 7.5307 113.3462 57.2226 39.4170 175.9863 82 R 4.0392 7.6984 118.8688 57.1734 30.7789 175.9659 83 E 3.8348 8.7377 116.6837 57.5772 26.4800 175.2046 84 Q 4.4633 7.9960 114.7938 55.2175 29.5098 176.0240 85 K 3.9731 8.2312 116.0313 57.5809 29.8129 177.5463 86 A 4.1413 8.2299 122.7171 55.3381 18.2745 180.6683 87 G 3.7426 7.9478 104.8185 47.7403 0.0000 175.7479 88 S 4.2763 8.3579 117.7649 61.4485 62.8430 176.9499 89 S 4.2111 8.4552 117.8694 61.5706 62.4813 176.7609 90 L 4.1398 8.1077 121.7264 57.8706 41.3092 179.6742 91 I 3.9699 8.0888 119.7375 64.4656 37.0673 178.6495 92 K 4.2530 8.4535 121.0528 59.1549 31.8020 178.8933 93 H 4.0542 8.4196 118.3087 59.2405 29.8405 177.1714 94 A 3.9108 8.3569 122.8391 55.1650 17.8115 179.3522 95 E 3.9415 8.4433 117.3115 59.5143 29.4900 179.4763 96 E 3.9552 7.9196 118.1644 59.4416 29.6669 179.4799 97 I 3.4893 7.2900 119.3237 64.2542 37.0884 178.5836 98 L 3.6745 8.1384 120.1153 57.7087 41.4357 179.7397 99 R 3.8725 8.2437 118.4443 59.2125 29.7979 179.1072 100 K 3.9566 7.8714 118.0949 59.1221 32.2419 178.3420 101 R 4.2417 7.5599 116.1583 56.3964 30.2077 177.2781 102 G 3.8493 7.8707 106.6803 45.5239 0.0000 173.6166 103 A 4.3046 7.8371 122.0587 52.1686 19.0162 178.2069 104 D 4.8867 9.4187 121.4953 55.8816 42.7895 176.4242 105 L 5.0077 7.7849 116.3675 54.5558 44.1064 173.8898 106 L 5.5945 9.0449 122.7302 53.1737 44.7434 175.2399 107 W 5.7475 9.3104 122.6656 55.1519 31.8497 173.5358 108 C 4.7776 8.7610 119.0209 58.1190 34.8471 172.7956 109 N 5.0993 8.9637 122.9161 52.3568 37.7923 173.9541 110 A 4.2550 8.9803 126.2285 50.8694 20.3125 177.1617 111 R 4.0063 8.6255 120.8980 56.2992 30.9969 178.2501 112 T 3.8734 8.3609 113.1012 64.5669 68.9136 176.6813 113 S 4.1795 8.1177 116.0762 60.3800 63.1061 175.1505 114 A 4.5889 7.8561 123.0422 51.7907 19.0586 178.3119 115 S 4.3751 8.1424 116.3002 62.0547 62.9171 177.0078 116 G 3.6202 8.1462 108.6929 47.4188 0.0000 174.9203 117 Y 4.0553 7.8324 121.2436 61.0142 38.7890 177.8476 118 Y 3.6123 7.6114 117.0760 60.4582 37.8300 178.1001 119 K 4.1020 8.3309 120.8497 59.7958 32.1119 179.0259 120 K 3.9876 7.9211 116.8795 58.9171 31.9460 178.2850 121 L 4.4990 7.3498 116.7302 54.3763 41.6895 177.3915 122 G 3.9134 8.2277 107.4361 45.4654 0.0000 173.9890 123 F 4.4750 8.5357 117.9620 57.1578 39.7116 175.1822 124 S 4.8355 8.2752 117.3434 56.7976 65.5144 173.9606 125 E 4.7111 8.6630 121.3936 56.0403 30.7277 175.3436 126 Q 4.5982 8.9280 122.4086 55.2451 31.9188 177.3298 127 G 3.8668 8.8504 109.8111 46.3464 0.0000 172.7953 128 E 4.7940 8.4845 121.9161 53.8097 32.6543 175.7048 129 V 4.0307 8.3648 120.8674 63.7527 31.9989 175.0700 130 F 5.1449 8.9140 121.7746 55.2336 41.6641 172.7490 131 D 5.1523 8.7842 118.8946 53.4934 43.5031 175.2707 132 T 4.7732 8.6355 121.6437 60.4627 70.1934 170.9932 133 P 4.5067 0.0000 0.0000 62.4611 31.9585 174.7430 134 P 4.8662 0.0000 0.0000 63.0874 31.7119 176.1024 135 V 4.2219 8.3725 110.2537 61.7659 32.2683 177.5110 136 G 3.8340 8.0590 110.5595 43.5341 0.0000 170.6997 137 P 4.8345 0.0000 0.0000 63.3719 32.3571 175.3206 138 H 5.1825 9.3314 120.3615 54.0972 33.4568 172.1411 139 I 4.8963 8.6720 119.8679 59.1177 41.6771 174.4524 140 L 5.1470 9.1617 130.5304 54.8772 43.6771 174.8615 *142 Y 5.2851 8.1924 119.2537 56.8992 40.0390 173.7787 143 K 4.3960 8.8852 121.3890 54.3780 35.2589 175.1938 144 R 4.5612 8.7902 128.7366 55.9849 30.7437 175.7545 145 I 4.5925 8.5646 119.1939 60.7095 38.7501 175.7421 146 T 4.1587 7.9378 118.1903 62.2971 68.9726 174.3581 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 I 8.02 4.51 1.96 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.18 1.01 0.00 0.00 3 E 9.06 4.50 0.00 1.98 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 2.24 2.33 0.00 4 V 9.24 4.85 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 0.71 0.00 0.00 0.99 0.00 0.00 5 K 9.16 4.93 0.00 1.89 1.63 0.00 0.93 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.31 1.42 7.81 6 P 0.00 5.07 0.00 2.14 2.12 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 7 I 8.41 4.86 1.90 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 1.33 0.78 1.12 0.00 0.00 8 N 9.35 4.76 0.00 2.80 2.84 0.00 0.00 7.27 6.84 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 9 A 8.54 3.48 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 10 E 7.77 2.54 0.00 1.85 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 2.36 2.34 0.00 11 D 7.55 4.42 0.00 2.70 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 12 T 7.41 4.13 4.15 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 1.12 0.00 0.00 13 Y 7.03 4.22 0.00 2.97 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 14 E 8.15 3.95 0.00 2.03 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 2.37 2.42 0.00 15 L 7.81 3.99 0.00 1.67 1.64 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.21 3.91 0.00 1.93 1.88 0.00 2.87 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 17 H 8.58 4.13 0.00 3.26 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.20 3.88 0.00 1.88 1.99 0.00 3.29 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 19 I 7.69 4.17 1.94 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 1.49 0.76 0.87 0.00 0.00 20 L 7.81 4.40 0.00 1.85 1.79 1.03 0.77 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 21 R 7.53 4.77 0.00 1.86 1.96 0.00 3.36 0.00 0.00 3.62 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 22 P 0.00 4.26 0.00 2.11 2.14 0.00 3.33 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 23 N 8.04 4.76 0.00 2.72 2.87 0.00 0.00 6.76 7.69 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 24 Q 7.37 4.75 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 25 P 0.00 4.43 0.00 2.15 1.95 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 26 I 8.31 3.53 1.69 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 1.55 1.29 0.82 0.00 0.00 27 E 8.13 3.75 0.00 1.90 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 2.27 2.36 0.00 28 A 8.00 4.27 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 29 C 7.54 4.00 0.00 2.90 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.77 4.88 0.00 3.10 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 0.00 0.00 0.00 0.00 32 E 8.87 4.11 0.00 2.05 2.02 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 2.42 2.34 0.00 33 S 8.10 4.10 0.00 3.43 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 34 D 8.01 4.51 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 35 L 7.83 4.60 0.00 1.83 1.71 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.60 4.42 0.00 1.79 1.59 0.89 0.81 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 37 R 8.49 4.00 0.00 1.79 1.90 0.00 3.32 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 38 G 9.11 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 39 A 7.65 4.66 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 40 F 9.06 5.15 0.00 3.10 3.16 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 41 H 9.05 5.52 0.00 3.35 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 9.45 5.38 0.00 1.78 1.66 1.17 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 G 9.43 4.31 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 0.00 44 G 8.78 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.29 5.34 0.00 2.90 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 46 Y 8.90 4.77 0.00 3.00 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 47 G 9.78 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.98 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 49 K 8.01 4.55 0.00 1.80 1.61 0.00 1.65 0.00 0.00 1.31 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.15 1.30 7.81 50 L 8.54 3.66 0.00 1.22 1.38 0.20 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.39 4.35 1.35 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 0.67 0.79 -0.21 0.00 0.00 52 S 7.47 5.16 0.00 3.82 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.57 5.25 1.83 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 1.10 0.92 0.81 0.00 0.00 54 A 8.52 4.69 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 55 S 8.38 4.99 0.00 3.87 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.75 5.32 0.00 1.61 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.77 5.22 0.00 3.16 3.32 0.00 5.26 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 58 Q 8.15 3.48 0.00 1.39 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 59 A 8.52 4.51 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 60 E 8.88 4.68 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 61 H 9.28 4.04 0.00 1.80 2.57 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.45 4.10 0.00 3.93 3.88 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 0.00 0.00 0.00 63 E 8.10 4.40 0.00 1.86 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 2.15 2.22 0.00 64 L 7.45 4.51 0.00 1.46 1.21 0.54 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 9.35 4.50 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 66 G 8.37 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.64 4.03 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 68 K 8.76 4.88 0.00 1.92 1.72 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.50 7.81 69 Q 9.69 5.37 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 70 Y 9.13 5.03 0.00 2.98 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 71 Q 8.51 3.91 0.00 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 72 L 8.22 4.53 0.00 1.60 1.55 0.39 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.31 4.51 0.00 1.70 1.74 0.00 3.26 0.00 0.00 2.97 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.57 0.00 74 G 8.81 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 A 8.16 4.12 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 77 T 8.11 4.91 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 78 L 8.92 4.14 0.00 1.67 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.81 4.16 0.00 1.99 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 2.29 2.30 0.00 80 G 9.20 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 Y 7.53 4.42 0.00 2.99 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.70 4.04 0.00 1.74 1.79 0.00 3.24 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 83 E 8.74 3.83 0.00 2.10 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 2.15 2.23 0.00 84 Q 8.00 4.46 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.18 0.00 85 K 8.23 3.97 0.00 2.02 1.98 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.41 7.81 86 A 8.23 4.14 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 87 G 7.95 3.74 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 0.00 0.00 0.00 88 S 8.36 4.28 0.00 3.96 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 89 S 8.46 4.21 0.00 4.12 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 90 L 8.11 4.14 0.00 2.04 1.93 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.09 3.97 2.14 0.00 0.00 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 1.96 1.13 1.20 0.00 0.00 92 K 8.45 4.25 0.00 1.84 1.89 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 93 H 8.42 4.05 0.00 3.41 3.48 0.00 5.59 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 94 A 8.36 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.44 3.94 0.00 2.17 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 2.32 2.49 0.00 96 E 7.92 3.96 0.00 1.98 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 2.27 2.50 0.00 97 I 7.29 3.49 1.62 0.00 0.00 0.62 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 0.98 0.06 0.00 0.00 98 L 8.14 3.67 0.00 1.48 1.50 0.83 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.24 3.87 0.00 1.80 1.94 0.00 3.09 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 100 K 7.87 3.96 0.00 1.80 1.89 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 101 R 7.56 4.24 0.00 1.91 1.99 0.00 3.09 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 102 G 7.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.84 4.30 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 0.00 104 D 9.42 4.89 0.00 2.72 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 0.00 105 L 7.78 5.01 0.00 2.07 1.81 1.26 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.04 5.59 0.00 1.86 1.58 1.27 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 107 W 9.31 5.75 0.00 3.57 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 0.00 108 C 8.76 4.78 0.00 2.73 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 0.00 109 N 8.96 5.10 0.00 2.84 3.04 0.00 0.00 6.96 7.35 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 0.00 110 A 8.98 4.25 1.11 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 0.00 111 R 8.63 4.01 0.00 1.86 1.78 0.00 3.12 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 112 T 8.36 3.87 4.21 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 1.13 0.00 0.00 113 S 8.12 4.18 0.00 4.01 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 0.00 114 A 7.86 4.59 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 0.00 115 S 8.14 4.38 0.00 4.28 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 0.00 116 G 8.15 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.83 4.06 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 7.61 3.61 0.00 2.95 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 0.00 119 K 8.33 4.10 0.00 2.05 2.00 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.53 7.81 120 K 7.92 3.99 0.00 1.88 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.64 7.81 121 L 7.35 4.50 0.00 1.79 1.89 0.28 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.23 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 0.00 0.00 0.00 123 F 8.54 4.47 0.00 2.90 2.97 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 0.00 124 S 8.28 4.84 0.00 2.93 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 0.00 125 E 8.66 4.71 0.00 1.91 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 2.35 2.35 0.00 126 Q 8.93 4.60 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.71 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 127 G 8.85 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.48 4.79 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 2.24 2.23 0.00 129 V 8.36 4.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 130 F 8.91 5.14 0.00 3.06 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 0.00 131 D 8.78 5.15 0.00 2.78 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 0.00 132 T 8.64 4.77 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 133 P 0.00 4.51 0.00 2.05 2.01 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 134 P 0.00 4.87 0.00 2.17 2.13 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 135 V 8.37 4.22 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 0.73 0.00 0.00 0.99 0.00 0.00 136 G 8.06 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.83 0.00 2.04 2.15 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 138 H 9.33 5.18 0.00 2.01 2.70 0.00 5.77 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 0.00 139 I 8.67 4.90 1.85 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 1.19 1.78 0.92 0.00 0.00 140 L 9.16 5.15 0.00 1.98 1.83 0.99 0.66 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 *142 Y 8.19 5.29 0.00 3.24 3.26 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 0.00 143 K 8.89 4.40 0.00 0.79 0.86 0.00 1.53 0.00 0.00 1.36 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.06 1.02 7.81 144 R 8.79 4.56 0.00 1.98 1.84 0.00 3.27 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 145 I 8.56 4.59 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 1.38 0.98 0.86 0.00 0.00 146 T 7.94 4.16 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.