NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 P 4.3304 0.0000 0.0000 61.8154 32.9692 176.2576 3 R 3.8515 7.9680 117.5522 55.1427 30.3792 175.0092 4 S 4.3438 8.9042 112.1322 58.5820 64.6599 173.4476 5 L 4.5168 8.7377 123.5340 56.8682 44.5671 176.4002 6 K 4.2026 8.0811 116.2560 55.3160 27.2354 177.4695 7 K 4.2045 9.1060 132.1019 59.6938 34.3399 177.2630 8 G 4.1560 9.0266 114.2733 45.3656 0.0000 173.2263 9 V 4.1129 7.7618 126.2246 62.0540 32.0567 174.7365 10 F 4.6206 8.6613 120.2756 57.6936 42.9546 174.7815 11 V 4.6138 7.4419 125.7133 61.6559 34.4499 173.2092 12 D 4.2654 9.4086 128.7436 54.9908 41.0694 177.3416 13 D 4.3251 8.6859 124.8776 56.5331 40.0384 178.5455 14 H 3.5798 7.7551 110.3259 59.9348 28.6113 175.8997 15 L 4.1860 8.4936 129.5585 59.0245 41.2585 178.1102 16 L 4.0809 7.9010 122.8663 56.8898 41.7403 177.6346 17 E 3.4178 8.9588 118.6114 59.6003 29.3583 179.1795 18 K 4.0826 8.0126 119.1520 57.9121 32.5392 178.5892 19 V 3.9052 8.3673 120.8587 64.0763 32.0629 178.0264 20 L 4.3324 7.7131 119.6203 57.0705 39.9769 178.3014 21 E 3.9602 7.4370 120.8227 59.1204 29.8344 177.8039 22 L 4.2451 8.2804 118.2782 55.8321 42.7649 176.8451 23 N 4.8630 7.6094 118.5266 51.3322 37.5250 173.2986 24 A 4.5838 7.4271 122.7521 53.0460 26.2378 177.8942 25 K 4.3784 8.4588 112.1826 56.0814 34.3463 175.0784 26 G 4.1507 6.7905 107.5787 44.5272 0.0000 177.5427 27 E 4.5302 8.8495 122.0975 53.4503 30.9090 174.3602 28 K 3.8547 8.3242 123.6266 56.5716 32.9531 175.9171 29 R 4.3253 8.3151 121.7396 55.3514 31.0890 173.0588 30 L 4.0075 8.9906 129.5198 54.4558 41.5327 174.7139 31 I 4.5612 8.0105 123.1062 59.6411 40.3477 173.6647 32 K 4.9053 8.5530 126.8102 56.9797 32.8437 176.6793 33 T 5.1381 9.3724 120.9478 61.7597 73.2593 174.4044 34 W 4.8240 9.4245 122.8817 56.8816 29.4439 177.5008 35 S 4.7336 7.9416 115.8794 57.0174 60.0808 173.2856 36 R 4.3262 8.1330 121.8653 57.6259 30.3406 179.7148 37 R 3.9967 8.1521 116.8683 58.3110 30.0267 176.4967 38 S 5.0713 7.7435 113.0560 57.7077 64.8269 174.1264 39 T 4.4568 9.2629 120.0180 63.5410 69.1723 174.5690 40 I 4.2041 8.5614 126.1621 61.1533 38.1776 176.0135 41 V 4.5686 7.9794 117.5591 58.9764 35.6725 175.2184 42 P 4.2077 0.0000 0.0000 65.8396 31.5213 178.3633 43 E 3.9897 8.3595 114.3198 59.7002 29.5590 178.0106 44 M 4.1832 8.3082 119.6803 57.5984 32.2694 176.9292 45 V 3.7148 7.1631 116.6022 64.5686 32.0312 175.5300 46 G 4.3483 9.1594 114.9161 46.2346 0.0000 174.2689 47 H 4.4951 8.0286 116.6418 56.3586 30.6656 174.4302 48 T 5.6848 7.8268 110.3402 63.6927 69.3850 173.6166 49 I 4.2693 7.7474 123.9884 61.3290 39.0854 176.2501 50 A 4.9839 9.8212 129.8513 50.4208 21.2275 175.8393 51 V 4.9266 8.6725 121.6231 60.3322 34.7547 173.8660 52 Y 5.3329 8.2860 127.2503 56.6553 38.8152 175.2611 53 N 4.2731 8.2412 124.0690 55.3769 39.0328 174.9232 54 G 3.1405 5.8130 104.4832 44.8674 0.0000 173.2842 55 K 4.0873 6.4502 119.3023 57.0824 34.4098 175.4976 56 Q 4.7609 7.1939 115.5097 54.2298 33.0705 173.0948 57 H 5.2168 8.6046 117.0752 54.5737 30.5695 174.7496 58 V 4.0405 9.1927 119.6103 59.9110 32.4188 174.2792 59 P 4.7148 0.0000 0.0000 62.6067 32.3538 175.8687 60 V 4.3805 8.3856 123.4478 61.1833 34.5066 173.6503 61 Y 4.9714 8.7254 129.6563 56.2391 38.8851 174.3475 62 I 3.9161 8.2351 128.2075 61.1579 39.4180 175.0626 63 T 4.8772 8.2411 124.3357 61.2690 72.0267 174.1942 64 E 3.9189 9.0015 125.0284 59.5809 29.5956 178.8960 65 N 4.2379 8.2520 114.2874 55.5323 37.4225 175.0442 66 M 4.6918 7.6209 116.4211 54.3003 30.6564 176.0048 67 V 3.7461 7.1853 120.3810 64.2563 32.5879 177.6189 68 G 3.9711 7.9953 113.9462 48.7893 0.0000 172.8917 69 H 4.6825 8.0395 117.1834 56.1378 29.5397 174.8748 70 K 4.7395 9.3693 116.4432 55.7171 30.9778 178.4637 71 L 3.5362 7.6720 117.8840 55.3303 43.2139 177.1622 72 G 4.0453 8.0852 108.4671 49.0537 0.0000 174.5378 73 E 4.0663 8.0135 116.4654 57.9866 29.3585 177.2951 74 F 4.5877 9.6133 116.6398 57.0060 40.2225 175.9655 75 A 4.6294 7.9178 125.7619 48.5733 17.9530 173.0718 76 P 4.1757 0.0000 0.0000 63.3864 31.7582 177.4058 77 T 4.0568 8.5253 117.1498 63.2027 67.8904 174.4595 78 R 4.6847 7.6832 118.0673 54.4266 32.8802 174.9159 79 T 4.6198 8.2646 115.9686 62.0391 70.6148 173.3859 80 Y 4.6757 8.2799 125.7362 56.5013 42.3169 174.5618 81 R 3.3800 6.9904 122.5324 56.5019 30.9858 175.6843 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 P 0.00 4.33 0.00 2.06 2.14 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 3 R 7.97 3.85 0.00 1.89 1.94 0.00 3.27 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 4 S 8.90 4.34 0.00 3.93 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 5 L 8.74 4.52 0.00 1.66 1.76 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.08 4.20 0.00 1.84 1.91 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.24 7.81 7 K 9.11 4.20 0.00 1.80 1.79 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.44 7.81 8 G 9.03 4.16 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 0.00 9 V 7.76 4.11 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 0.72 0.00 0.00 1.00 0.00 0.00 10 F 8.66 4.62 0.00 3.21 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 11 V 7.44 4.61 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 0.81 0.00 0.00 1.03 0.00 0.00 12 D 9.41 4.27 0.00 2.95 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 13 D 8.69 4.33 0.00 2.77 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 14 H 7.76 3.58 0.00 3.29 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.49 4.19 0.00 1.79 1.84 1.05 0.67 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 16 L 7.90 4.08 0.00 1.74 1.64 0.90 0.83 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 17 E 8.96 3.42 0.00 2.17 2.19 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 0.00 2.65 2.33 0.00 18 K 8.01 4.08 0.00 1.88 1.93 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.42 7.81 19 V 8.37 3.91 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 0.96 0.00 0.00 0.67 0.00 0.00 20 L 7.71 4.33 0.00 1.93 1.96 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.44 3.96 0.00 2.33 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 0.00 2.31 2.33 0.00 22 L 8.28 4.25 0.00 1.79 1.79 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.61 4.86 0.00 2.83 2.81 0.00 0.00 6.73 7.25 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 24 A 7.43 4.58 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 25 K 8.46 4.38 0.00 1.73 1.85 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.48 7.81 26 G 6.79 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 0.00 0.00 0.00 0.00 27 E 8.85 4.53 0.00 1.85 1.74 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 2.16 2.16 0.00 28 K 8.32 3.85 0.00 1.71 1.75 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.49 7.81 29 R 8.32 4.33 0.00 1.81 1.82 0.00 3.34 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 30 L 8.99 4.01 0.00 1.80 1.72 0.92 0.82 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 31 I 8.01 4.56 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 1.26 1.07 0.92 0.00 0.00 32 K 8.55 4.91 0.00 1.62 1.76 0.00 1.62 0.00 0.00 1.90 0.00 0.00 2.69 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 33 T 9.37 5.14 4.38 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 1.41 0.00 0.00 34 W 9.42 4.82 0.00 3.16 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 35 S 7.94 4.73 0.00 4.01 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 36 R 8.13 4.33 0.00 2.10 2.24 0.00 3.08 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 37 R 8.15 4.00 0.00 1.88 1.95 0.00 3.27 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 38 S 7.74 5.07 0.00 4.06 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 0.00 39 T 9.26 4.46 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 1.37 0.00 0.00 40 I 8.56 4.20 2.16 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 0.95 0.00 0.00 41 V 7.98 4.57 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 0.82 0.00 0.00 0.97 0.00 0.00 42 P 0.00 4.21 0.00 2.18 2.11 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 43 E 8.36 3.99 0.00 2.10 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 0.00 2.29 2.29 0.00 44 M 8.31 4.18 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 45 V 7.16 3.71 2.20 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 0.77 0.00 0.00 0.96 0.00 0.00 46 G 9.16 4.35 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 0.00 47 H 8.03 4.50 0.00 3.39 3.23 0.00 5.62 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.83 5.68 4.17 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 0.00 0.00 0.00 1.21 0.00 0.00 49 I 7.75 4.27 1.87 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 1.28 1.28 1.01 0.00 0.00 50 A 9.82 4.98 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 51 V 8.67 4.93 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 1.18 0.00 0.00 1.00 0.00 0.00 52 Y 8.29 5.33 0.00 2.30 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 53 N 8.24 4.27 0.00 2.50 2.68 0.00 0.00 7.16 7.65 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 54 G 5.81 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 6.45 4.09 0.00 1.45 1.49 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.35 7.81 56 Q 7.19 4.76 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 57 H 8.60 5.22 0.00 3.00 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.19 4.04 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 0.76 0.00 0.00 1.02 0.00 0.00 59 P 0.00 4.71 0.00 2.09 2.08 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 60 V 8.39 4.38 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 0.86 0.00 0.00 1.07 0.00 0.00 61 Y 8.73 4.97 0.00 2.99 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 62 I 8.24 3.92 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.32 1.06 0.00 0.00 63 T 8.24 4.88 4.36 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 1.14 0.00 0.00 64 E 9.00 3.92 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 2.39 2.40 0.00 65 N 8.25 4.24 0.00 2.88 2.99 0.00 0.00 5.90 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 66 M 7.62 4.69 0.00 2.40 2.47 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 67 V 7.19 3.75 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 0.99 0.00 0.00 1.06 0.00 0.00 68 G 8.00 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 69 H 8.04 4.68 0.00 3.56 3.70 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.37 4.74 0.00 1.80 2.03 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.41 7.81 71 L 7.67 3.54 0.00 1.89 1.65 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.09 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 0.00 0.00 0.00 73 E 8.01 4.07 0.00 2.00 1.72 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 2.34 2.37 0.00 74 F 9.61 4.59 0.00 3.06 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 75 A 7.92 4.63 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 76 P 0.00 4.18 0.00 2.17 2.09 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 77 T 8.53 4.06 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 1.17 0.00 0.00 78 R 7.68 4.68 0.00 1.80 1.81 0.00 3.17 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 79 T 8.26 4.62 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 1.20 0.00 0.00 80 Y 8.28 4.68 0.00 2.81 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 81 R 6.99 3.38 0.00 0.67 1.08 0.00 3.37 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.30 0.00 * Residues marked with a * may have inaccurate shift predictions.