NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.0103 8.1127 119.6866 56.1301 31.3781 176.5129 4 D 4.1441 7.8895 118.0447 55.3385 41.8928 175.0739 5 Y 4.3113 8.6131 116.7603 58.2890 39.5303 175.0357 6 L 4.3648 6.3142 120.3771 53.1957 43.2002 176.0031 7 Q 4.1665 8.7450 123.6437 55.8662 29.5271 177.4296 8 S 4.2525 8.7563 120.0780 60.0360 63.7840 173.6757 9 E 5.1310 8.0017 119.0579 54.6748 32.5176 175.1642 10 Y 4.2028 8.7601 123.9117 56.8961 41.2411 175.2697 11 G 3.7030 7.9278 119.9568 46.6275 0.0000 175.9200 12 V 3.7332 8.4349 123.6759 63.4887 31.7192 176.3465 13 L 3.3423 7.4981 122.5265 53.7287 41.8466 175.6588 14 K 4.8009 9.3840 124.7924 53.8921 34.6104 175.1355 15 A 4.3643 8.8489 129.7159 54.2959 18.6244 177.6590 16 G 4.0426 9.3450 111.6289 45.1007 0.0000 173.6201 17 Q 4.5250 7.9796 118.8688 55.1040 30.9336 174.6780 18 C 4.9738 8.3700 119.6697 59.0818 30.4833 172.2651 19 Y 5.2339 8.8156 119.2420 56.1337 42.0431 174.0340 20 K 5.1171 9.0727 123.6432 54.5527 35.0829 175.4292 21 V 4.0775 9.0193 128.0650 63.2450 32.1155 176.4330 22 V 4.3722 8.8288 120.3785 61.1008 33.2075 175.7309 23 R 4.4859 7.6915 120.6207 54.2839 32.4244 174.7446 24 S 4.7060 8.9128 123.1184 59.3736 63.5762 173.7036 25 F 5.1083 8.8319 117.3422 55.9853 41.6411 172.9393 26 R 5.1822 8.8028 118.6845 54.8593 32.2192 176.2725 27 D 5.0384 8.7385 122.9956 52.0294 41.8551 176.3802 28 Y 4.0793 8.6663 118.8881 60.5345 38.7869 176.7609 29 R 4.2949 8.2252 116.8615 55.8319 30.1740 176.2850 30 N 4.3231 8.1587 113.1110 53.8095 36.8760 174.3400 31 I 3.7051 7.9055 120.9132 61.0120 37.6086 174.3783 32 N 4.8795 8.2993 124.4368 52.9593 39.9492 173.4732 33 Y 4.2873 8.3283 124.8649 56.2308 39.9568 174.9102 34 E 4.5713 8.6545 124.4399 55.0009 31.4520 176.4104 35 R 4.2288 8.3992 124.0895 58.2126 30.4135 176.4207 36 G 4.1236 9.0270 113.8495 45.4192 0.0000 173.7418 37 D 4.5514 8.2761 120.7992 54.5094 41.6707 175.8837 38 V 5.4419 8.2486 121.9500 60.2292 34.9682 174.5409 *40 R 4.5395 8.2565 123.9035 56.0984 31.5879 174.1917 41 F 3.9444 9.5293 129.6722 58.3493 39.8867 175.3942 42 L 4.2184 9.1564 125.5804 54.3312 43.7620 176.7722 43 G 3.8536 5.3800 104.9616 43.2942 0.0000 170.9773 44 S 5.4321 8.3427 114.2784 56.5929 66.9715 172.5974 45 N 5.3991 9.1572 117.9478 52.1091 42.6803 172.5742 46 F 5.3647 9.0144 126.9456 56.4549 42.2936 174.3941 47 V 3.9503 8.0159 126.8107 60.6156 32.2846 174.3691 48 P 3.9231 0.0000 0.0000 65.5744 31.5533 178.5855 49 Y 3.9107 8.0123 117.6733 59.9687 38.7522 176.1767 50 E 4.3551 8.0098 115.8776 55.2989 30.5504 175.5222 51 S 3.4773 7.4181 114.5715 59.2640 61.2695 172.3147 52 G 4.0133 7.4516 108.3343 44.9356 0.0000 173.5698 53 L 5.1637 8.7713 130.5869 53.4002 43.3048 175.8454 54 S 4.5818 9.1424 124.0794 57.1290 64.7323 173.3298 55 L 4.7831 8.6010 126.0668 53.1606 43.3345 175.5812 56 F 5.1732 8.6837 124.1437 56.5714 40.4494 175.3879 57 F 5.2978 9.4828 121.5228 55.7246 43.4916 173.1544 58 D 5.3324 9.2262 121.1300 52.6521 42.7665 175.6047 59 K 4.5096 9.0124 127.0841 55.5117 34.1672 175.5824 60 N 4.2708 10.1670 125.5775 54.3865 36.0863 175.3758 61 G 4.0595 8.2637 102.7802 44.7742 0.0000 173.8139 62 S 4.8467 7.8086 114.3980 56.0683 66.0507 173.2107 63 E 4.6586 8.9748 124.4582 56.4419 30.2305 175.7625 64 R 4.8240 9.7469 126.4863 54.5229 33.4857 174.9094 65 Q 4.4823 8.7979 124.3449 54.8338 30.0819 175.0120 66 I 4.3402 8.4650 129.3759 60.2692 40.2455 174.7665 *68 L 4.4138 8.2246 121.3577 55.0853 43.1495 176.2698 69 C 4.4454 8.9728 126.2624 58.3473 32.1824 173.7247 70 V 4.5139 8.5917 130.8302 61.6400 28.7597 175.2474 71 R 4.8077 7.6762 121.5101 53.4511 34.7809 174.7460 72 P 4.2053 0.0000 0.0000 65.7207 31.5189 177.7694 73 E 3.9404 8.1015 117.6997 57.9835 31.3405 177.2881 74 F 4.6975 8.3812 112.7033 57.5597 39.0029 178.1432 75 Q 4.3582 6.5847 135.0000 54.8159 29.1018 175.2230 *77 E 4.3213 8.4695 123.5941 56.1769 31.8985 178.1413 78 I 2.9599 7.5701 118.5699 64.2312 36.9183 178.0128 79 A 3.9749 7.8102 120.2425 55.2713 18.2692 178.5097 80 H 4.6502 7.5480 111.8156 56.4618 30.3644 175.4585 81 H 5.0445 8.1100 118.7267 54.6542 29.9573 175.0009 82 L 4.2453 8.0123 121.3912 57.7585 42.1672 179.4418 83 D 4.8959 8.0012 115.4086 54.4053 39.6397 177.1565 84 S 4.2419 8.1311 115.7907 60.2777 63.3855 174.1885 85 Y 4.4660 7.8367 116.5182 57.6583 40.7653 175.5223 86 F 5.4268 8.8052 117.8722 55.6388 42.9237 173.7871 87 C 5.1887 9.2596 123.4091 56.9454 34.5087 172.9503 88 K 3.6381 8.9130 127.0388 58.1878 32.3412 176.3618 89 L 4.0801 8.5931 126.5622 55.0029 42.0610 173.9698 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 3 R 8.11 4.01 0.00 1.55 1.40 0.00 2.97 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.34 0.00 4 D 7.89 4.14 0.00 2.70 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 5 Y 8.61 4.31 0.00 3.11 3.03 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 0.00 0.00 0.00 6 L 6.31 4.36 0.00 1.40 1.47 0.41 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.74 4.17 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.33 0.00 8 S 8.76 4.25 0.00 4.05 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 9 E 8.00 5.13 0.00 1.94 1.85 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 2.24 2.28 0.00 10 Y 8.76 4.20 0.00 3.05 2.57 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 11 G 7.93 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 0.00 0.00 0.00 12 V 8.43 3.73 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 0.71 0.00 0.00 1.08 0.00 0.00 13 L 7.50 3.34 0.00 0.84 0.13 0.11 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.38 4.80 0.00 1.84 1.81 0.00 1.61 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.49 7.81 15 A 8.85 4.36 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 16 G 9.34 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 17 Q 7.98 4.52 0.00 2.32 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 18 C 8.37 4.97 0.00 2.86 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 19 Y 8.82 5.23 0.00 3.18 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 20 K 9.07 5.12 0.00 1.88 1.73 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.40 7.81 21 V 9.02 4.08 2.24 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 1.01 0.00 0.00 0.90 0.00 0.00 22 V 8.83 4.37 2.06 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 0.79 0.00 0.00 0.94 0.00 0.00 23 R 7.69 4.49 0.00 1.53 1.42 0.00 3.01 0.00 0.00 2.47 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 24 S 8.91 4.71 0.00 3.83 3.79 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 25 F 8.83 5.11 0.00 3.05 3.23 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 0.00 26 R 8.80 5.18 0.00 1.83 1.97 0.00 3.36 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 27 D 8.74 5.04 0.00 3.05 3.22 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 0.00 28 Y 8.67 4.08 0.00 2.98 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 29 R 8.23 4.29 0.00 1.89 1.93 0.00 3.43 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 30 N 8.16 4.32 0.00 2.86 2.92 0.00 0.00 6.90 6.76 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 31 I 7.91 3.71 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.18 0.30 0.00 0.00 32 N 8.30 4.88 0.00 2.60 2.53 0.00 0.00 7.06 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 33 Y 8.33 4.29 0.00 1.53 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 34 E 8.65 4.57 0.00 1.98 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 2.43 2.20 0.00 35 R 8.40 4.23 0.00 1.77 1.86 0.00 3.22 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 36 G 9.03 4.12 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 0.00 0.00 0.00 37 D 8.28 4.55 0.00 2.88 2.67 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 38 V 8.25 5.44 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 1.23 0.00 0.00 0.99 0.00 0.00 *40 R 8.26 4.54 0.00 2.09 1.97 0.00 3.27 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 41 F 9.53 3.94 0.00 2.91 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 42 L 9.16 4.22 0.00 1.30 1.41 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 G 5.38 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 44 S 8.34 5.43 0.00 3.95 4.12 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 N 9.16 5.40 0.00 3.07 2.90 0.00 0.00 6.99 7.19 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 46 F 9.01 5.36 0.00 3.05 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 47 V 8.02 3.95 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 0.83 0.00 0.00 0.87 0.00 0.00 48 P 0.00 3.92 0.00 2.26 2.21 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 2.18 2.23 0.00 49 Y 8.01 3.91 0.00 2.86 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 50 E 8.01 4.36 0.00 1.83 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 2.29 2.37 0.00 51 S 7.42 3.48 0.00 4.02 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 52 G 7.45 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 0.00 0.00 0.00 53 L 8.77 5.16 0.00 1.84 1.76 0.72 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 54 S 9.14 4.58 0.00 3.52 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 55 L 8.60 4.78 0.00 1.69 1.77 0.73 0.47 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 56 F 8.68 5.17 0.00 2.83 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 57 F 9.48 5.30 0.00 2.99 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 58 D 9.23 5.33 0.00 2.69 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 59 K 9.01 4.51 0.00 1.90 1.71 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.62 7.81 60 N 10.17 4.27 0.00 2.90 2.87 0.00 0.00 7.38 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 61 G 8.26 4.06 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 0.00 0.00 0.00 62 S 7.81 4.85 0.00 3.95 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 63 E 8.97 4.66 0.00 2.06 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 2.52 2.46 0.00 64 R 9.75 4.82 0.00 1.93 2.00 0.00 3.43 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 65 Q 8.80 4.48 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.09 1.83 0.00 66 I 8.47 4.34 2.02 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.65 0.83 0.00 0.00 *68 L 8.22 4.41 0.00 1.55 1.62 0.73 0.69 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 69 C 8.97 4.45 0.00 2.07 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 70 V 8.59 4.51 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 0.82 0.00 0.00 1.10 0.00 0.00 71 R 7.68 4.81 0.00 2.08 1.82 0.00 3.32 0.00 0.00 3.42 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 72 P 0.00 4.21 0.00 2.00 2.11 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 73 E 8.10 3.94 0.00 1.62 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 1.47 1.83 0.00 74 F 8.38 4.70 0.00 3.32 2.57 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 75 Q 6.58 4.36 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.53 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 *77 E 8.47 4.32 0.00 2.12 2.01 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 2.38 2.52 0.00 78 I 7.57 2.96 1.61 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 0.08 0.40 -0.08 0.00 0.00 79 A 7.81 3.97 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 80 H 7.55 4.65 0.00 3.11 3.15 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.11 5.04 0.00 3.46 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.01 4.25 0.00 1.77 1.81 0.93 1.01 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 83 D 8.00 4.90 0.00 2.84 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 84 S 8.13 4.24 0.00 3.70 3.50 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 85 Y 7.84 4.47 0.00 2.61 2.42 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 86 F 8.81 5.43 0.00 3.02 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 87 C 9.26 5.19 0.00 3.05 2.83 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 88 K 8.91 3.64 0.00 1.84 1.70 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 1.03 7.81 89 L 8.59 4.08 0.00 1.68 1.94 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.