NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.8222 8.2676 117.7939 52.1919 40.8652 176.0178 12 V 3.6325 7.7429 117.9418 64.5713 31.5361 177.7483 13 K 3.9855 8.8293 125.2516 59.7360 32.0720 182.6549 14 D 4.5983 7.9820 119.4280 56.4110 40.8815 178.6938 15 V 3.2505 7.7415 119.2129 66.4087 31.5111 178.2515 16 T 3.8253 7.8372 115.1654 66.4860 68.2601 176.8595 17 K 3.9255 7.9999 120.4937 59.1763 32.0567 179.0676 18 L 3.7275 7.7065 120.5429 58.1755 41.7687 179.1145 19 V 3.5677 7.5465 116.6957 66.1286 31.4812 177.5871 20 A 4.1743 7.7760 118.8051 54.2271 18.2750 178.2900 21 N 4.6980 7.8395 112.6014 52.3241 39.3312 174.7475 22 L 4.7410 6.9668 120.7141 52.2019 43.9179 174.7410 23 P 4.4757 0.0000 0.0000 62.1960 31.9318 177.7797 24 K 3.9760 8.8882 122.4488 59.0760 32.0713 177.2263 25 D 4.9581 8.0573 116.0913 53.1346 39.7512 175.7583 26 Y 4.5854 7.7296 123.3104 57.2543 41.0578 173.2660 *28 I 3.7907 7.9985 117.5041 61.6153 38.9118 175.0549 29 T 4.7383 8.3302 123.4798 63.0702 69.3991 173.9545 30 L 4.9227 9.1699 128.2678 52.1395 45.6865 175.8097 31 K 4.8048 8.9784 125.7572 55.9874 30.9974 175.4585 32 Y 4.4804 8.5563 125.7626 57.0165 40.0629 174.6300 33 V 3.8967 7.5993 125.6687 60.6586 32.0982 173.9076 34 P 3.9725 0.0000 0.0000 63.6638 31.2045 172.5790 35 G 3.6266 8.6366 119.7898 44.9559 0.0000 173.4240 *37 D 4.0047 8.5360 124.9581 52.2158 41.3869 176.1684 38 V 4.0538 7.6616 118.8300 64.7528 33.0801 176.3431 39 L 4.1323 7.0591 119.0088 53.6694 41.3708 177.4942 40 P 4.7091 0.0000 0.0000 61.7666 32.3568 177.2905 41 S 3.1721 8.9437 115.5070 62.0702 62.2860 176.6540 42 H 3.8322 7.9342 117.2001 57.8038 28.0006 176.6965 43 C 4.1106 7.7134 119.5348 61.5597 28.2794 174.8352 44 W 4.6360 7.1657 116.3179 57.0620 29.3111 177.2640 45 I 3.1525 6.6938 119.2249 63.7642 37.1913 177.6061 46 S 4.2709 7.6862 114.4478 61.2478 62.9567 176.4404 47 E 4.3430 7.6542 123.0296 55.9949 29.3703 178.6959 *49 V 4.1041 7.8739 112.4518 61.0021 33.9748 178.4096 50 V 3.6783 7.3703 116.2658 66.0768 31.4581 178.2067 51 Q 4.0792 8.4087 117.9608 58.8396 28.4736 178.6118 52 L 4.1928 7.9894 119.7673 57.8939 41.6149 179.2850 53 S 4.1893 8.1149 112.8717 61.3674 62.1963 176.0626 54 D 4.3957 8.4980 121.9385 57.4401 40.2185 178.7508 55 S 4.1555 8.0916 115.3653 61.7685 62.8967 176.8841 56 L 4.1561 8.3441 121.6991 57.9329 41.1430 179.6726 57 T 3.9627 7.5965 115.2834 66.6223 68.5345 176.3697 58 D 4.5120 8.5318 121.3464 57.2003 40.8377 178.5254 59 L 4.0646 8.3054 121.2141 58.0077 42.1285 178.7892 60 L 4.0739 7.9979 120.3380 57.9918 41.7639 178.2674 61 D 4.6780 7.7618 117.3476 55.9284 40.9894 177.1903 62 K 4.1214 7.7996 117.5665 56.9103 32.3061 176.3415 63 F 4.7978 7.8737 116.6430 55.3849 42.4151 174.1659 64 S 4.7062 8.4840 115.6713 56.1290 64.8506 173.4372 65 N 4.4298 7.8496 125.1038 53.6258 39.3646 173.9928 66 I 4.6720 7.7586 122.3572 59.2621 41.2607 175.5836 67 S 4.2903 8.9691 119.7835 60.8664 62.9102 174.6648 68 E 4.5700 8.0105 118.3802 55.0442 33.0178 175.6550 69 G 3.8842 8.8877 110.1314 45.1312 0.0000 173.2218 70 L 4.0701 8.2581 124.1553 54.4621 41.8608 177.1378 71 S 4.6912 8.2355 121.7332 57.0111 66.3002 174.5536 72 N 4.0979 8.3692 119.0796 56.1788 38.0666 176.9236 73 Y 3.8476 7.9748 120.5918 60.7355 38.8490 177.9285 74 S 4.1703 7.9892 113.8528 61.6606 62.6498 176.2534 75 I 3.6543 7.7215 122.2550 64.5271 36.8372 178.6151 76 I 3.7133 7.9587 121.0039 63.9399 36.9723 177.7944 77 D 4.2207 8.2890 119.5513 57.3567 40.9042 178.5276 78 K 3.9453 7.7761 118.4390 59.6292 32.0528 179.3255 79 L 4.0874 7.8072 118.7011 57.7197 41.4908 179.6930 80 V 3.6499 7.9507 118.2370 66.1299 31.5899 177.9046 81 N 4.3568 8.1106 115.8719 56.3815 38.5046 177.4662 82 I 3.7072 8.0640 121.4976 64.4754 37.2240 178.7228 83 V 3.7520 8.1410 119.0923 65.8621 31.3315 177.8674 84 D 4.3947 8.3583 118.9670 57.3644 40.6191 178.1942 85 D 4.3538 7.9879 119.0093 57.5429 40.8073 178.9095 86 L 3.9479 7.4327 117.7106 56.9888 41.7493 179.6276 87 V 3.5951 7.8159 118.5885 66.1702 31.3203 178.0415 88 E 4.1180 8.1104 116.9080 59.3010 29.3194 178.5365 89 C 4.2691 7.8152 118.1672 62.0042 31.6585 175.4073 90 V 4.0127 7.6986 119.5930 64.5125 31.2758 175.3897 91 K 3.8348 7.3452 118.5409 56.5367 31.2038 176.2184 *104 S 4.2255 8.2042 121.2264 57.2677 62.8297 171.8206 105 P 4.5580 0.0000 0.0000 62.7522 32.0001 176.1770 106 E 4.3425 8.4560 117.8415 55.4185 30.7531 174.7383 107 P 4.8919 0.0000 0.0000 62.6883 32.1022 175.8911 108 R 4.6107 9.1618 123.0411 54.2066 34.2643 174.3154 109 L 5.0933 7.8297 119.5165 53.0889 43.9319 176.2469 110 F 5.2168 8.8938 121.6344 55.6084 42.9583 175.1328 111 T 4.4959 8.6324 110.6768 59.9991 69.9011 173.8268 112 P 4.4919 0.0000 0.0000 66.1660 31.3773 178.5613 113 E 4.1195 8.3771 116.4008 59.8181 28.9779 179.3242 114 E 4.0553 8.2060 117.9502 59.0729 29.4575 179.3067 115 F 3.6350 8.4994 120.9896 61.2228 39.4799 177.0555 116 F 4.2236 8.6522 116.5343 59.0637 38.7562 177.8283 117 R 3.9180 7.8997 119.1521 59.4611 29.9682 178.3257 118 I 3.5551 7.1327 118.8671 64.1467 37.1154 178.0011 119 F 3.9741 7.7620 121.3743 61.5319 39.2604 176.8258 120 N 4.2293 8.6795 116.1715 56.4156 38.2766 177.3422 121 R 3.9713 8.0975 119.9591 59.5066 29.8613 178.8342 122 S 4.3774 7.9582 114.2074 61.8654 62.9907 176.5025 123 I 3.9321 7.2379 120.6855 63.8992 36.8808 177.5785 124 D 4.6383 8.1640 118.6751 55.7424 40.5974 177.6495 125 A 4.2836 7.6453 119.0493 52.6366 18.1238 177.2844 126 F 4.2320 7.7704 123.3474 58.0875 39.2635 175.6376 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 11 N 8.27 4.82 0.00 2.67 2.77 0.00 0.00 6.51 6.79 0.00 0.00 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 V 7.74 3.63 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.97 0.00 0.00 13 K 8.83 3.99 0.00 1.78 1.86 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.10 7.81 14 D 7.98 4.60 0.00 2.90 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 15 V 7.74 3.25 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 1.03 0.00 0.00 0.94 0.00 0.00 16 T 7.84 3.83 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 1.20 0.00 0.00 17 K 8.00 3.93 0.00 1.88 1.79 0.00 1.82 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.61 7.81 18 L 7.71 3.73 0.00 1.58 1.40 0.63 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.55 3.57 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 0.93 0.00 0.00 0.91 0.00 0.00 20 A 7.78 4.17 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 21 N 7.84 4.70 0.00 2.87 2.90 0.00 0.00 6.93 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 6.97 4.74 0.00 1.75 1.75 1.10 1.13 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 23 P 0.00 4.48 0.00 2.37 2.00 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 24 K 8.89 3.98 0.00 1.78 1.95 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.51 7.81 25 D 8.06 4.96 0.00 2.79 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 26 Y 7.73 4.59 0.00 3.07 3.13 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 *28 I 8.00 3.79 1.56 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 1.08 0.17 0.17 0.00 0.00 29 T 8.33 4.74 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 1.23 0.00 0.00 30 L 9.17 4.92 0.00 2.15 2.05 1.10 0.43 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 31 K 8.98 4.80 0.00 1.77 1.95 0.00 2.04 0.00 0.00 1.39 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.35 7.81 32 Y 8.56 4.48 0.00 3.21 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 33 V 7.60 3.90 1.96 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 0.85 0.00 0.00 0.94 0.00 0.00 34 P 0.00 3.97 0.00 2.07 2.03 0.00 3.81 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 2.05 2.15 0.00 35 G 8.64 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *37 D 8.54 4.00 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.66 4.05 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 0.80 0.00 0.00 0.92 0.00 0.00 39 L 7.06 4.13 0.00 1.59 1.46 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.71 0.00 2.25 2.25 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 41 S 8.94 3.17 0.00 3.49 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 42 H 7.93 3.83 0.00 3.16 3.34 0.00 5.53 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 7.71 4.11 0.00 3.23 3.09 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 44 W 7.17 4.64 0.00 3.45 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 45 I 6.69 3.15 0.72 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.31 0.42 0.00 0.00 46 S 7.69 4.27 0.00 4.05 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 47 E 7.65 4.34 0.00 2.22 1.98 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 2.33 2.36 0.00 *49 V 7.87 4.10 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 1.02 0.00 0.00 1.09 0.00 0.00 50 V 7.37 3.68 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 1.14 0.00 0.00 0.96 0.00 0.00 51 Q 8.41 4.08 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.81 0.00 52 L 7.99 4.19 0.00 1.80 1.91 0.96 0.53 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 53 S 8.11 4.19 0.00 4.15 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 0.00 54 D 8.50 4.40 0.00 2.79 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 55 S 8.09 4.16 0.00 4.31 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 56 L 8.34 4.16 0.00 1.86 1.77 1.04 0.79 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 57 T 7.60 3.96 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 1.23 0.00 0.00 58 D 8.53 4.51 0.00 2.76 2.73 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 59 L 8.31 4.06 0.00 1.88 1.88 1.29 0.88 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 60 L 8.00 4.07 0.00 1.91 1.78 0.33 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.76 4.68 0.00 2.82 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 62 K 7.80 4.12 0.00 1.44 1.47 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.77 1.63 7.81 63 F 7.87 4.80 0.00 3.16 3.07 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 0.00 64 S 8.48 4.71 0.00 3.78 3.71 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 65 N 7.85 4.43 0.00 1.44 2.28 0.00 0.00 6.85 7.94 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 66 I 7.76 4.67 1.87 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 1.46 0.93 0.96 0.00 0.00 67 S 8.97 4.29 0.00 3.96 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 68 E 8.01 4.57 0.00 1.90 1.82 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 2.19 2.22 0.00 69 G 8.89 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 0.00 0.00 0.00 70 L 8.26 4.07 0.00 1.59 1.60 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.24 4.69 0.00 4.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.37 4.10 0.00 2.18 1.86 0.00 0.00 6.42 7.48 0.00 0.00 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 Y 7.97 3.85 0.00 3.12 2.99 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 74 S 7.99 4.17 0.00 3.97 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 75 I 7.72 3.65 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.95 0.75 0.00 0.00 76 I 7.96 3.71 1.72 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.92 0.00 0.00 77 D 8.29 4.22 0.00 2.71 2.80 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 78 K 7.78 3.95 0.00 2.03 1.86 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.54 7.81 79 L 7.81 4.09 0.00 1.84 1.75 0.63 0.70 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 80 V 7.95 3.65 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 1.09 0.00 0.00 1.02 0.00 0.00 81 N 8.11 4.36 0.00 2.98 2.86 0.00 0.00 7.06 6.57 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 82 I 8.06 3.71 2.19 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 1.25 0.92 0.00 0.00 83 V 8.14 3.75 2.18 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 1.17 0.00 0.00 1.28 0.00 0.00 84 D 8.36 4.39 0.00 2.90 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 85 D 7.99 4.35 0.00 3.00 2.65 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 0.00 0.00 0.00 86 L 7.43 3.95 0.00 1.71 1.31 0.53 -0.01 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 87 V 7.82 3.60 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 1.05 0.00 0.00 1.05 0.00 0.00 88 E 8.11 4.12 0.00 1.98 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 2.55 2.45 0.00 89 C 7.82 4.27 0.00 3.11 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 90 V 7.70 4.01 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.04 0.00 0.00 91 K 7.35 3.83 0.00 1.83 1.76 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.38 7.81 *104 S 8.20 4.23 0.00 4.07 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 0.00 105 P 0.00 4.56 0.00 2.44 2.14 0.00 3.79 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 2.04 2.02 0.00 106 E 8.46 4.34 0.00 1.97 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 2.42 2.30 0.00 107 P 0.00 4.89 0.00 1.94 2.01 0.00 3.63 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 2.04 2.15 0.00 108 R 9.16 4.61 0.00 1.68 0.97 0.00 2.56 0.00 0.00 2.80 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.58 0.00 109 L 7.83 5.09 0.00 1.28 1.39 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.89 5.22 0.00 2.93 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 0.00 111 T 8.63 4.50 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 112 P 0.00 4.49 0.00 2.35 2.42 0.00 3.74 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 113 E 8.38 4.12 0.00 2.10 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 2.48 2.48 0.00 114 E 8.21 4.06 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 115 F 8.50 3.63 0.00 3.07 2.98 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 0.00 116 F 8.65 4.22 0.00 3.25 3.11 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 0.00 117 R 7.90 3.92 0.00 2.12 2.05 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 118 I 7.13 3.56 1.53 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.37 0.69 0.00 0.00 119 F 7.76 3.97 0.00 2.65 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 0.00 120 N 8.68 4.23 0.00 2.95 2.91 0.00 0.00 6.76 8.48 0.00 0.00 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 R 8.10 3.97 0.00 1.93 2.12 0.00 3.01 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 122 S 7.96 4.38 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 0.00 123 I 7.24 3.93 1.66 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.23 0.76 0.00 0.00 124 D 8.16 4.64 0.00 2.91 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 0.00 125 A 7.65 4.28 1.13 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 0.00 126 F 7.77 4.23 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.