NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4907 8.2549 120.9894 57.0577 31.6114 174.4910 3 H 4.5878 9.0565 119.0129 53.2692 32.9885 170.7959 4 I 4.6607 9.4778 126.2964 59.9263 39.3397 174.2850 5 I 4.7416 9.0304 129.2822 59.7624 39.2603 175.0472 6 S 5.2123 9.0993 123.5397 56.5937 65.1760 173.2296 7 L 5.1851 8.2640 122.8211 54.3367 44.2564 175.3908 8 L 4.9135 8.5276 120.6170 52.8625 44.4189 175.2233 *10 E 4.4026 8.4112 118.5928 56.4398 30.5815 176.9734 11 N 4.7482 8.8329 123.7414 52.9151 36.5972 173.6214 12 E 4.7295 8.0120 120.9553 53.0673 34.3646 176.4279 13 A 4.1423 8.7933 123.4347 54.8594 18.4554 180.2188 14 G 3.9010 8.2047 103.9532 48.1621 0.0000 175.3111 15 A 4.0441 7.3468 125.3345 54.6606 18.4203 179.2600 16 L 3.8525 7.5242 117.7467 58.3962 42.0837 179.0621 17 S 4.0781 8.2585 112.9991 61.7214 62.3797 176.5178 18 R 4.0922 8.1758 120.6506 58.9307 29.3064 179.1687 19 V 3.6845 8.1501 118.2480 66.1328 31.4960 178.0557 20 A 4.2385 8.5891 121.0564 54.8867 18.1895 179.7369 21 G 3.5966 8.5743 104.9240 48.1890 0.0000 174.9397 22 L 3.8868 8.1512 122.2970 58.2490 41.9782 178.8178 23 F 3.9048 8.5506 115.8565 60.7939 38.9677 177.9454 24 S 4.0717 8.5437 112.4289 61.4773 62.0729 176.1538 25 A 3.9993 8.4506 122.1182 54.3366 18.1564 178.7510 26 R 4.1624 7.4630 114.2924 55.0122 30.7049 176.9347 27 G 3.9139 7.3971 106.4445 46.4437 0.0000 173.7159 28 Y 4.4579 7.5963 116.8965 57.4780 38.3756 175.4926 29 N 4.5675 8.8724 122.4435 53.3925 39.4593 174.0700 30 I 4.4472 8.2856 126.8947 59.8419 38.0110 175.2484 31 E 4.2962 9.4575 130.4207 59.0288 30.3099 176.6257 32 S 4.6710 7.7824 110.8977 57.7688 66.1165 174.1456 33 L 5.0218 8.1664 121.7480 54.2219 44.8369 174.5806 34 S 4.9316 8.8770 121.9129 56.8064 66.5556 174.0413 35 V 4.9916 8.3411 121.8760 60.7524 34.1419 173.3116 36 A 4.4975 8.2766 123.9559 50.3242 22.5031 173.4687 37 P 4.8100 0.0000 0.0000 63.1774 32.2252 177.0349 38 T 4.3393 8.5375 114.0839 60.3944 70.6409 174.1255 39 E 3.8880 8.8989 120.2051 59.5040 29.6302 177.3296 40 D 4.6317 7.9103 120.1582 52.1583 40.8743 174.6124 41 P 4.5084 0.0000 0.0000 64.0402 31.5651 176.6987 42 T 4.4309 8.3363 109.5419 62.1470 70.2311 174.0967 43 L 5.0387 8.1531 123.0660 53.2719 45.4158 175.5751 44 S 5.1140 8.6599 118.7895 57.1795 65.9899 173.8151 45 R 4.8820 8.6326 124.1501 54.4123 32.6840 174.4667 *47 T 4.6124 8.1180 114.9358 63.3591 70.2090 173.1263 48 L 4.9991 9.0419 128.0164 53.1536 45.7500 174.9510 49 V 4.7527 8.5062 126.2039 61.5263 33.5471 174.2091 50 T 5.1170 8.8498 122.0648 60.3796 71.2450 171.8803 51 N 5.2478 8.7621 124.4023 51.5373 40.7789 174.4104 52 G 3.9268 8.2770 111.2111 43.0707 0.0000 171.3487 53 P 4.3391 0.0000 0.0000 62.8317 32.9014 176.9757 54 D 4.3652 8.8647 122.2233 58.2366 41.1109 179.7000 *55 E 3.9565 8.0794 118.3421 61.2796 29.9216 181.7665 56 I 3.8448 7.5993 119.2038 63.4269 38.1870 177.9690 57 V 3.5133 7.6456 121.6467 66.2590 31.0941 178.4159 58 E 4.0472 8.1916 119.8751 61.6218 29.8509 182.0100 59 Q 4.3280 7.6634 120.3543 60.1917 28.2507 181.7684 60 I 3.5487 7.3710 122.0807 64.4846 37.1093 178.6993 61 T 3.9516 7.7134 109.8502 64.2198 68.3214 176.5802 62 K 3.8611 7.7380 122.4794 59.7125 32.0125 178.7993 63 Q 4.0374 7.9063 116.4255 58.7363 28.9329 178.0175 64 L 4.1963 7.9575 120.2086 57.7597 41.4120 179.1692 65 N 4.3430 7.9357 115.5712 56.3931 38.5852 176.9551 66 K 4.0491 7.5569 118.4622 58.3382 32.3597 177.6764 67 L 4.0890 7.2842 120.0884 54.7977 41.8391 178.2861 68 I 3.7632 8.4085 125.1430 64.2573 37.2684 177.1682 69 E 4.1109 8.0855 117.7831 57.5143 29.7747 176.4516 70 V 4.2807 7.3603 119.7902 61.7311 32.0068 175.6997 71 V 4.4189 8.3947 119.4718 61.1444 33.6420 175.8835 72 K 4.7491 7.5973 118.5805 54.9865 36.4880 174.7114 73 L 5.1763 8.3476 124.6153 53.8603 45.5093 174.6718 74 I 4.6095 8.7848 123.9490 59.4654 42.3799 173.9158 75 D 4.9082 8.6851 127.7361 52.9033 40.2895 176.3385 76 L 3.9044 8.7200 131.0661 58.0751 42.1414 178.7662 77 S 4.1283 8.0851 110.4307 58.9024 62.8663 174.7030 78 S 4.4951 7.9826 115.5852 59.2362 63.5853 173.0765 79 E 4.8118 7.6661 119.3400 54.4656 33.0441 174.8893 80 G 3.9776 8.5155 106.3752 47.3177 0.0000 172.5654 81 Y 5.5298 7.9853 120.3224 55.8810 41.2910 174.0877 82 V 4.6821 9.0244 114.0089 59.6586 35.0053 174.7550 83 E 5.2733 8.6478 120.5586 55.1375 32.7197 174.5680 84 R 4.9913 8.8725 119.8129 54.8152 35.3035 173.5926 85 E 4.9027 9.5353 121.3806 54.6780 33.9390 174.3857 86 L 5.1821 8.2988 126.5183 52.4991 45.7808 174.5448 *88 L 4.3269 8.1473 118.3513 54.6682 43.3377 176.3229 89 V 4.6502 8.8753 125.0688 60.9384 33.8188 174.1989 90 K 4.9109 9.2487 130.7078 55.4809 33.6391 175.5481 91 V 4.9895 8.8707 121.2358 59.2180 35.2063 175.1254 92 R 4.3563 9.2968 126.0898 56.5240 30.4427 176.1640 93 A 4.4951 9.0403 128.7426 49.9200 20.4875 174.7327 94 V 4.3172 7.9079 119.6435 62.3578 35.9996 176.4563 95 G 3.8100 8.2625 114.1318 46.5022 0.0000 177.5555 96 K 4.1475 8.5855 124.0239 58.9416 32.5662 178.4934 97 D 4.4893 7.7615 118.7337 56.5861 40.6475 178.4474 98 R 4.1094 7.5701 118.1092 59.2415 30.4096 177.9930 99 E 4.2021 8.2662 118.5630 59.2016 29.4804 179.2139 100 E 4.1989 7.7933 116.8430 56.5836 29.3852 178.1948 *102 K 4.1451 8.2246 119.6539 56.0486 34.2013 177.7833 103 R 3.9525 8.2445 117.7025 59.3047 29.9381 178.8193 104 L 4.1381 8.2663 118.5627 57.9523 41.7263 179.1307 105 A 4.1166 8.3157 119.9921 55.6646 18.2188 179.1393 106 D 4.3329 8.6217 117.2108 57.7236 40.7232 179.1975 107 I 3.7622 8.2377 119.0997 64.2019 37.1726 177.5878 108 F 4.4482 8.4209 115.5678 56.2564 38.9894 175.7137 109 R 3.8040 7.9441 116.2618 57.1453 28.1987 176.7708 110 G 4.0580 8.3094 105.8929 45.8250 0.0000 173.3663 111 N 5.1444 8.4572 115.5250 51.7018 43.2677 174.2700 112 I 4.5223 8.3039 124.2842 60.7264 37.9982 175.6019 113 I 4.5698 9.1817 119.1992 60.3874 39.0159 174.8318 114 D 4.8324 7.7990 122.6851 53.3882 44.6532 174.0755 115 V 5.2686 8.5159 125.0112 60.3951 34.2243 174.6367 116 T 4.7474 8.6069 114.0819 59.2702 71.5609 174.2476 117 N 4.4503 8.7373 117.6752 55.9158 38.6542 175.5333 118 E 4.8907 8.3682 115.1236 55.4219 32.2837 175.1469 119 L 5.0138 7.7223 118.1594 54.5673 44.6321 174.4489 120 Y 5.5988 8.6387 116.2319 56.7306 42.3616 174.5721 121 T 5.0571 8.8539 119.3581 62.0600 71.1962 173.2612 122 I 4.7302 8.9747 128.1037 59.5776 39.7621 174.3016 123 E 4.6470 9.1943 128.5932 54.9218 30.9311 174.5549 124 L 4.9305 8.1527 127.2531 53.7206 45.9929 174.7110 125 T 4.9314 8.9766 120.7469 61.1372 72.5665 173.7634 126 G 4.0995 8.1728 110.8309 46.4836 0.0000 171.7680 127 T 4.5468 8.0612 109.4590 61.9799 69.7874 175.8210 128 R 3.8028 9.3811 123.8030 59.8641 30.2903 178.9266 129 S 4.2310 8.1538 113.4144 60.8800 62.9697 176.1615 130 K 4.0913 8.0124 123.6159 59.5096 32.0188 178.7669 131 L 3.9847 7.9235 118.6364 58.0519 41.6035 178.8127 132 D 4.5395 8.5751 119.3477 57.7218 40.5501 179.5144 133 G 3.7458 8.1195 104.9872 47.6453 0.0000 175.1975 134 F 3.3004 8.3098 123.1900 60.9119 39.1299 177.3554 135 L 4.0005 7.9365 117.2000 57.6432 41.4220 179.1245 136 Q 4.0708 8.2605 117.6895 58.6086 28.6431 178.0727 137 A 4.2023 7.4547 120.7057 53.1519 19.2671 178.3120 138 V 3.8003 6.4654 109.0664 60.4134 32.8434 175.6831 139 D 4.4849 8.2930 122.2920 54.4443 41.2755 177.6434 140 C 4.2707 8.6143 118.2016 60.4206 30.1286 174.5555 141 N 4.7239 8.1029 116.0075 53.4971 37.2755 175.2075 142 L 4.4316 7.6529 118.6905 55.0459 42.9247 176.1660 143 I 4.2655 7.2234 120.5054 61.2206 36.9995 175.7323 144 L 4.4056 9.2088 127.9352 57.2025 42.4176 177.1846 145 E 4.8698 7.4884 113.1760 55.8376 32.1020 175.1963 146 I 5.1893 8.5185 120.4065 59.5473 41.1623 174.8237 147 A 4.6656 9.0411 126.4224 50.2557 21.2840 175.5447 148 R 4.8020 8.6461 122.6576 54.9572 32.8021 175.1921 149 T 4.2290 8.7382 115.2825 60.7968 69.5081 173.5282 150 G 4.0809 8.3762 113.9959 44.9936 0.0000 173.9552 151 V 4.0375 7.7106 121.2289 63.0331 32.4000 175.4592 152 S 4.8195 8.3909 120.9129 55.5808 66.1209 173.0730 153 G 4.5907 8.5342 107.7094 45.0413 0.0000 171.4868 154 L 5.1120 8.5995 119.5294 52.3174 46.0911 176.6549 155 S 4.8078 8.7486 117.0666 58.9015 63.4933 174.6500 156 R 3.9794 8.8292 122.2482 56.4293 30.4430 178.9143 157 G 3.7140 8.7233 109.0611 46.8419 0.0000 174.4276 158 E 3.9918 8.9344 118.1828 58.9954 29.8203 177.3067 159 R 3.7576 7.8340 117.5379 56.5793 30.5446 175.2663 160 V 4.4573 8.1615 123.7480 60.7112 34.7733 175.4146 161 L 3.9626 8.8581 129.4477 58.1276 42.0240 178.4365 162 K 4.1180 8.0652 115.2114 58.5375 32.8066 176.5904 163 L 4.3036 7.5000 124.1863 54.8359 41.7717 175.9896 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 R 8.25 4.49 0.00 1.61 1.79 0.00 3.18 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.24 0.00 3 H 9.06 4.59 0.00 3.12 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.48 4.66 1.52 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 1.23 0.74 0.77 0.00 0.00 5 I 9.03 4.74 1.90 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 1.23 0.67 0.95 0.00 0.00 6 S 9.10 5.21 0.00 3.69 3.72 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 7 L 8.26 5.19 0.00 1.88 1.72 0.94 0.38 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 8 L 8.53 4.91 0.00 1.62 1.63 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *10 E 8.41 4.40 0.00 1.88 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 2.40 2.27 0.00 11 N 8.83 4.75 0.00 2.70 2.75 0.00 0.00 6.98 8.45 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 12 E 8.01 4.73 0.00 2.01 1.76 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 2.30 2.30 0.00 13 A 8.79 4.14 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 14 G 8.20 3.90 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 0.00 0.00 0.00 15 A 7.35 4.04 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 16 L 7.52 3.85 0.00 1.80 1.83 0.89 0.84 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 S 8.26 4.08 0.00 3.98 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 18 R 8.18 4.09 0.00 1.92 1.98 0.00 3.34 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 19 V 8.15 3.68 2.30 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 1.09 0.00 0.00 1.02 0.00 0.00 20 A 8.59 4.24 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 21 G 8.57 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 0.00 0.00 0.00 22 L 8.15 3.89 0.00 2.12 1.92 0.98 0.72 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 23 F 8.55 3.90 0.00 3.31 3.21 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 24 S 8.54 4.07 0.00 3.92 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 25 A 8.45 4.00 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 26 R 7.46 4.16 0.00 0.67 1.12 0.00 3.12 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.37 0.00 27 G 7.40 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 28 Y 7.60 4.46 0.00 3.11 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 29 N 8.87 4.57 0.00 2.75 2.81 0.00 0.00 6.94 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 30 I 8.29 4.45 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.81 0.76 0.00 0.00 31 E 9.46 4.30 0.00 2.06 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 2.33 2.61 0.00 32 S 7.78 4.67 0.00 3.87 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 33 L 8.17 5.02 0.00 1.53 1.45 0.75 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.88 4.93 0.00 3.92 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 35 V 8.34 4.99 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 0.98 0.00 0.00 0.92 0.00 0.00 36 A 8.28 4.50 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 37 P 0.00 4.81 0.00 1.95 1.99 0.00 3.67 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 2.02 2.08 0.00 38 T 8.54 4.34 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 1.25 0.00 0.00 39 E 8.90 3.89 0.00 1.95 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 0.00 2.33 2.41 0.00 40 D 7.91 4.63 0.00 2.76 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 41 P 0.00 4.51 0.00 2.22 2.14 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 42 T 8.34 4.43 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 1.21 0.00 0.00 43 L 8.15 5.04 0.00 1.59 1.55 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.66 5.11 0.00 3.76 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 45 R 8.63 4.88 0.00 1.84 1.81 0.00 3.17 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 *47 T 8.12 4.61 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 1.18 0.00 0.00 48 L 9.04 5.00 0.00 1.57 1.44 0.52 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.51 4.75 2.07 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 0.77 0.00 0.00 0.91 0.00 0.00 50 T 8.85 5.12 4.37 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 1.23 0.00 0.00 51 N 8.76 5.25 0.00 2.63 2.72 0.00 0.00 6.78 7.09 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 52 G 8.28 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.34 0.00 2.26 2.19 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 54 D 8.86 4.37 0.00 2.82 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 *55 E 8.08 3.96 0.00 2.01 1.94 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 2.31 1.94 0.00 56 I 7.60 3.84 1.82 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 1.40 0.79 0.91 0.00 0.00 57 V 7.65 3.51 1.81 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 0.71 0.00 0.00 0.81 0.00 0.00 58 E 8.19 4.05 0.00 2.11 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 2.26 2.20 0.00 59 Q 7.66 4.33 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 60 I 7.37 3.55 1.71 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 1.58 0.45 0.58 0.00 0.00 61 T 7.71 3.95 4.22 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 1.26 0.00 0.00 62 K 7.74 3.86 0.00 2.06 1.85 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.61 7.81 63 Q 7.91 4.04 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 64 L 7.96 4.20 0.00 1.75 1.78 1.20 0.91 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 65 N 7.94 4.34 0.00 2.72 2.89 0.00 0.00 7.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.56 4.05 0.00 1.92 1.91 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.65 7.81 67 L 7.28 4.09 0.00 1.96 1.64 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.41 3.76 1.88 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 1.41 0.48 0.92 0.00 0.00 69 E 8.09 4.11 0.00 1.97 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 2.32 2.30 0.00 70 V 7.36 4.28 2.36 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 0.80 0.00 0.00 0.97 0.00 0.00 71 V 8.39 4.42 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 0.78 0.00 0.00 0.99 0.00 0.00 72 K 7.60 4.75 0.00 1.63 1.64 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.39 7.81 73 L 8.35 5.18 0.00 1.61 1.48 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.78 4.61 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 1.11 1.41 0.90 0.00 0.00 75 D 8.69 4.91 0.00 2.72 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 76 L 8.72 3.90 0.00 1.69 1.33 0.90 0.97 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 77 S 8.09 4.13 0.00 3.92 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 78 S 7.98 4.50 0.00 4.03 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 79 E 7.67 4.81 0.00 1.95 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 2.25 2.29 0.00 80 G 8.52 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 81 Y 7.99 5.53 0.00 3.08 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 82 V 9.02 4.68 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 0.81 0.00 0.00 1.01 0.00 0.00 83 E 8.65 5.27 0.00 1.98 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 2.50 2.55 0.00 84 R 8.87 4.99 0.00 1.74 1.80 0.00 3.24 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 85 E 9.54 4.90 0.00 1.94 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 2.18 2.22 0.00 86 L 8.30 5.18 0.00 1.79 1.50 0.89 0.40 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 *88 L 8.15 4.33 0.00 1.65 1.62 0.91 0.66 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 89 V 8.88 4.65 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 0.87 0.00 0.00 0.86 0.00 0.00 90 K 9.25 4.91 0.00 1.85 1.81 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.44 7.81 91 V 8.87 4.99 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 0.89 0.00 0.00 1.14 0.00 0.00 92 R 9.30 4.36 0.00 1.73 1.83 0.00 3.22 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 93 A 9.04 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.91 4.32 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 0.98 0.00 0.00 0.88 0.00 0.00 95 G 8.26 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 96 K 8.59 4.15 0.00 2.05 2.09 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.03 7.81 97 D 7.76 4.49 0.00 2.81 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 98 R 7.57 4.11 0.00 1.95 2.10 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.46 0.00 99 E 8.27 4.20 0.00 2.07 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 0.00 2.41 2.41 0.00 100 E 7.79 4.20 0.00 2.07 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 2.31 2.30 0.00 *102 K 8.22 4.15 0.00 1.97 2.12 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.53 7.81 103 R 8.24 3.95 0.00 2.13 2.02 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 104 L 8.27 4.14 0.00 1.81 1.91 0.71 1.01 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 0.00 105 A 8.32 4.12 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 0.00 106 D 8.62 4.33 0.00 2.83 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 0.00 107 I 8.24 3.76 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.62 0.72 0.00 0.00 108 F 8.42 4.45 0.00 3.23 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 0.00 109 R 7.94 3.80 0.00 1.96 1.99 0.00 3.15 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 110 G 8.31 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 0.00 111 N 8.46 5.14 0.00 2.59 2.61 0.00 0.00 7.46 7.78 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 0.00 112 I 8.30 4.52 1.65 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.28 0.72 0.00 0.00 113 I 9.18 4.57 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.88 0.00 0.00 114 D 7.80 4.83 0.00 2.80 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 0.00 115 V 8.52 5.27 2.37 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 0.89 0.00 0.00 1.09 0.00 0.00 116 T 8.61 4.75 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 1.22 0.00 0.00 117 N 8.74 4.45 0.00 2.71 2.91 0.00 0.00 6.60 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 0.00 118 E 8.37 4.89 0.00 1.88 1.84 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 2.17 2.21 0.00 119 L 7.72 5.01 0.00 1.95 1.66 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.64 5.60 0.00 2.93 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 0.00 121 T 8.85 5.06 4.27 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 1.22 0.00 0.00 122 I 8.97 4.73 1.81 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.79 0.73 0.00 0.00 123 E 9.19 4.65 0.00 1.91 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 2.18 2.35 0.00 124 L 8.15 4.93 0.00 1.22 1.04 0.87 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.98 4.93 4.22 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 1.21 0.00 0.00 126 G 8.17 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 0.00 127 T 8.06 4.55 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 1.28 0.00 0.00 128 R 9.38 3.80 0.00 2.16 2.01 0.00 3.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 129 S 8.15 4.23 0.00 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 0.00 130 K 8.01 4.09 0.00 2.00 2.13 0.00 1.62 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.81 7.81 131 L 7.92 3.98 0.00 1.94 1.72 0.91 1.06 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 0.00 132 D 8.58 4.54 0.00 2.98 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 0.00 133 G 8.12 3.75 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 0.00 0.00 0.00 134 F 8.31 3.30 0.00 2.10 2.93 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 0.00 0.00 0.00 135 L 7.94 4.00 0.00 1.81 1.72 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.26 4.07 0.00 2.46 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 137 A 7.45 4.20 1.23 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 0.00 0.00 138 V 6.47 3.80 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 0.45 0.00 0.00 0.69 0.00 0.00 139 D 8.29 4.48 0.00 2.75 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 0.00 140 C 8.61 4.27 0.00 3.10 3.17 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 0.00 141 N 8.10 4.72 0.00 2.83 2.96 0.00 0.00 5.96 7.79 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 0.00 142 L 7.65 4.43 0.00 1.69 1.85 0.96 1.22 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 0.00 143 I 7.22 4.27 2.03 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 1.34 0.48 0.96 0.00 0.00 144 L 9.21 4.41 0.00 1.58 1.72 0.91 0.33 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 0.00 145 E 7.49 4.87 0.00 1.98 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 2.16 2.23 0.00 146 I 8.52 5.19 1.88 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 0.69 0.94 0.00 0.00 147 A 9.04 4.67 1.16 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 0.00 148 R 8.65 4.80 0.00 1.77 1.76 0.00 3.23 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 149 T 8.74 4.23 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 1.20 0.00 0.00 150 G 8.38 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 0.00 151 V 7.71 4.04 2.07 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 0.80 0.00 0.00 0.94 0.00 0.00 152 S 8.39 4.82 0.00 3.90 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 0.00 153 G 8.53 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.60 5.11 0.00 1.62 1.54 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.75 4.81 0.00 3.95 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 0.00 156 R 8.83 3.98 0.00 1.69 1.86 0.00 3.26 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 157 G 8.72 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 0.00 0.00 0.00 158 E 8.93 3.99 0.00 1.98 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 2.32 2.25 0.00 159 R 7.83 3.76 0.00 1.78 1.91 0.00 3.21 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 160 V 8.16 4.46 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 0.97 0.00 0.00 1.02 0.00 0.00 161 L 8.86 3.96 0.00 1.63 1.69 0.92 0.64 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 0.00 162 K 8.07 4.12 0.00 1.91 1.94 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.47 7.81 163 L 7.50 4.30 0.00 1.68 1.59 0.92 0.60 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 * Residues marked with a * may have inaccurate shift predictions.