NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1544 8.1127 119.7058 57.2058 31.4290 175.0510 3 V 3.2494 8.3948 118.6224 61.7648 30.1773 171.6647 4 K 4.2470 7.5404 119.5532 58.5483 34.1142 177.0379 5 M 4.1194 7.8981 116.8693 55.7426 31.7264 175.4472 6 H 5.0130 8.1446 115.3284 54.8267 32.4854 173.8799 7 V 4.0189 8.3823 115.2663 61.6094 30.5681 179.8787 8 K 4.0487 9.0158 125.1048 57.5998 33.1038 176.0315 9 K 4.4499 8.1139 119.9595 56.2160 33.7534 178.8551 10 G 3.9462 8.5968 101.2554 44.8936 0.0000 170.3457 11 D 4.6714 7.1303 118.4193 52.7214 43.6303 175.4253 12 T 4.5029 8.4822 115.6049 63.9648 69.0731 174.4464 13 V 4.6559 8.9938 126.0444 60.8133 35.9521 173.4802 14 L 4.9548 8.7921 123.9691 53.0683 44.8158 177.5349 15 V 3.8445 8.3677 126.5215 64.0631 32.0796 175.7800 16 A 5.1425 8.6207 135.0000 52.7546 21.1250 178.0139 17 S 4.4056 8.3330 116.0628 59.6913 61.9276 174.8408 18 G 4.1816 8.9771 108.4311 45.7333 0.0000 174.2347 19 K 4.0266 8.6990 125.0354 58.3581 33.2630 177.3581 20 Y 4.3777 7.7132 114.2824 57.0295 39.1141 174.2302 21 K 3.7327 8.4205 121.9884 57.1918 31.7147 173.1984 22 G 3.7468 9.5466 121.5193 45.9194 0.0000 173.1315 23 R 4.6110 8.2978 123.0187 55.5917 32.6571 175.0436 24 V 3.5838 7.3398 116.5767 61.7729 32.9419 174.9285 25 G 4.2516 9.0716 112.9264 44.8139 0.0000 172.3230 26 K 4.5995 8.9835 122.8117 56.1990 33.7336 175.3751 27 V 4.0807 7.2838 121.6470 61.6908 34.5686 175.9737 28 K 4.4042 8.5500 122.6255 55.8657 34.6993 175.3723 29 E 3.5295 7.1108 116.8805 62.6095 25.5996 174.4801 30 V 3.0877 6.6105 115.7394 59.5564 33.9941 173.4924 31 L 3.9922 8.0304 129.1478 54.9699 41.8564 174.9823 32 P 4.9168 0.0000 0.0000 62.4367 33.2342 177.4145 33 K 4.4947 7.8842 120.0624 56.1042 31.3532 176.6667 34 K 4.4192 9.1431 116.9231 55.6549 39.4606 174.7414 35 Y 3.4200 8.0214 118.7989 58.9320 36.6294 168.0891 36 A 5.0279 7.6969 120.0414 50.3514 21.5009 176.2165 37 V 3.9041 7.9567 113.0716 58.7862 31.3087 176.5305 38 I 3.5418 8.5236 123.9027 59.2117 37.8125 178.8187 39 V 3.8163 7.9648 121.3562 62.9667 30.9672 173.5414 40 E 4.7843 9.0024 111.6475 56.9074 35.3279 176.1224 41 G 3.5959 7.4418 113.3387 44.9213 0.0000 177.1886 42 V 3.3792 7.5227 132.1877 62.7275 31.3263 175.1926 43 N 5.2228 8.1893 128.5963 51.6696 38.8281 175.2314 44 I 3.7308 7.3762 118.8945 61.8239 38.3508 175.5037 45 V 4.4627 8.0644 121.6477 61.1192 34.0197 176.1619 46 K 4.5265 8.0649 127.4694 56.1428 32.2925 177.3563 47 K 4.1711 7.6079 117.3037 60.7873 33.2469 176.8643 48 A 3.8404 6.9242 122.0755 52.1449 17.2807 177.2751 49 V 4.3796 8.4552 120.9956 63.9244 39.1890 174.9776 50 R 3.9445 7.8809 116.8676 55.8128 27.4946 175.8009 51 V 3.7320 8.3459 117.2910 65.7289 32.0460 177.3005 52 S 4.4892 7.6373 113.7828 55.8281 64.7075 173.9892 53 P 4.6167 0.0000 0.0000 61.0915 30.3056 176.9147 54 K 3.5450 8.2184 119.9658 57.0548 32.6140 175.4478 55 Y 3.3257 8.9825 116.2880 59.1085 37.5359 169.8715 56 P 4.1107 0.0000 0.0000 62.6319 33.7891 173.5287 57 Q 4.8513 8.3317 135.0000 56.9440 28.3807 174.4560 58 G 4.4581 7.8378 118.2294 44.3987 0.0000 171.2231 59 G 4.3319 8.4785 113.6037 45.0561 0.0000 171.5246 60 F 4.9344 8.6338 115.9540 57.5184 39.6802 176.0646 61 I 4.5850 7.5857 116.6104 61.9360 40.0378 177.2953 62 E 3.9838 6.9627 113.9442 52.2362 31.9126 175.2807 63 K 4.6593 8.0006 126.1822 55.9272 36.7712 175.3953 64 E 4.1374 8.7696 119.9456 57.0240 30.2350 177.6694 65 A 4.1318 10.2423 127.0292 51.2668 19.2403 178.7800 66 P 3.4961 0.0000 0.0000 64.9711 33.1384 171.4850 67 L 3.8513 7.8508 127.4205 54.0395 44.0951 173.3560 68 H 4.3737 8.7876 124.4069 56.5302 30.3301 175.6968 69 A 3.8459 9.4489 130.4418 55.2099 18.2730 179.5481 70 S 4.2615 8.6041 108.7971 60.4445 62.5742 174.6106 71 K 4.2641 7.7050 117.8667 57.2483 32.2502 176.5419 72 V 4.6223 7.0771 112.2219 60.0370 34.3101 175.2848 73 R 4.8110 8.7721 119.7902 54.1814 34.7508 173.6540 74 P 4.7926 0.0000 0.0000 62.9857 32.5808 174.9362 75 I 4.2777 7.8511 116.4219 61.8190 40.8881 173.1621 76 C 4.4869 7.9917 123.1250 58.3472 33.5204 168.6202 77 P 4.5044 0.0000 0.0000 60.1320 31.6968 175.7742 78 A 4.6245 7.4313 128.8804 51.5626 21.7207 176.7176 79 C 4.8424 8.0889 113.5261 57.7917 34.5170 178.9364 80 G 3.1864 9.9007 107.7759 45.0220 0.0000 172.2143 81 K 3.8349 9.3919 131.9734 54.8172 33.0713 172.2301 82 P 4.4834 0.0000 0.0000 62.8113 32.5251 176.3960 83 T 4.1200 8.4000 119.5908 64.1674 69.7166 172.9994 84 R 4.5832 7.9221 120.8538 55.8136 34.1585 173.3752 85 V 4.9074 8.3370 121.7461 61.0211 34.3697 174.4327 86 R 4.7840 8.5017 126.9585 54.4468 32.8277 176.7672 87 K 3.9756 8.7658 124.1645 60.0553 32.9961 178.1382 88 K 4.2006 8.0536 117.4134 54.4406 30.2774 175.9781 89 F 3.8082 8.4678 118.3978 58.5493 36.1872 174.8022 90 L 4.3305 6.8455 126.7496 55.2151 43.5563 177.4073 91 E 4.5995 7.7426 127.2806 54.9262 29.0462 175.7471 92 N 4.8297 8.5115 122.3955 54.2148 41.9384 173.6924 93 G 4.3608 8.4277 109.6994 45.2919 0.0000 171.4796 94 K 5.2190 8.5242 119.1966 54.9936 33.5748 175.9186 95 K 5.0698 9.3434 121.6728 53.2479 36.5605 176.1657 96 I 4.3072 8.8909 118.2311 59.9496 38.8741 174.9177 97 R 3.7992 8.5833 118.9253 56.5057 29.3609 177.2271 98 V 3.3249 8.2281 125.6305 62.9380 29.7346 170.9010 99 C 4.6202 7.8945 116.2421 59.2057 36.4782 176.0148 100 A 3.8027 7.5184 116.3048 52.8209 18.0018 177.6580 101 K 3.9066 8.2514 120.1353 56.8580 32.2765 176.6712 *102 C 4.3630 8.3667 116.4203 57.9835 28.5244 173.1154 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 8.11 4.15 0.00 1.89 1.91 0.00 3.24 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 3 V 8.39 3.25 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 0.74 0.00 0.00 0.93 0.00 0.00 4 K 7.54 4.25 0.00 1.86 1.91 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.34 7.81 5 M 7.90 4.12 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 6 H 8.14 5.01 0.00 3.07 3.49 0.00 5.73 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.38 4.02 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 0.73 0.00 0.00 0.84 0.00 0.00 8 K 9.02 4.05 0.00 1.63 1.73 0.00 1.47 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.48 7.81 9 K 8.11 4.45 0.00 1.84 1.63 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.64 7.81 10 G 8.60 3.95 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 0.00 0.00 0.00 11 D 7.13 4.67 0.00 2.74 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 12 T 8.48 4.50 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 13 V 8.99 4.66 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 0.92 0.00 0.00 0.92 0.00 0.00 14 L 8.79 4.95 0.00 1.73 1.57 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.37 3.84 2.27 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 0.96 0.00 0.00 0.95 0.00 0.00 16 A 8.62 5.14 1.42 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 0.00 0.00 17 S 8.33 4.41 0.00 4.05 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 18 G 8.98 4.18 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 0.00 19 K 8.70 4.03 0.00 1.96 1.70 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.51 7.81 20 Y 7.71 4.38 0.00 3.09 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 21 K 8.42 3.73 0.00 1.73 1.80 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81 22 G 9.55 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 23 R 8.30 4.61 0.00 1.97 1.91 0.00 3.33 0.00 0.00 3.44 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 24 V 7.34 3.58 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 0.82 0.00 0.00 0.94 0.00 0.00 25 G 9.07 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 0.00 0.00 0.00 26 K 8.98 4.60 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.43 7.81 27 V 7.28 4.08 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 0.93 0.00 0.00 0.95 0.00 0.00 28 K 8.55 4.40 0.00 1.91 1.83 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.24 1.49 7.81 29 E 7.11 3.53 0.00 2.11 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 2.17 2.32 0.00 30 V 6.61 3.09 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 0.79 0.00 0.00 0.92 0.00 0.00 31 L 8.03 3.99 0.00 1.89 1.51 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.92 0.00 2.19 2.25 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 33 K 7.88 4.49 0.00 1.75 1.85 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 K 9.14 4.42 0.00 1.71 1.79 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.35 7.81 35 Y 8.02 3.42 0.00 3.13 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 36 A 7.70 5.03 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 V 7.96 3.90 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 0.59 0.00 0.00 0.97 0.00 0.00 38 I 8.52 3.54 2.15 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 1.14 0.98 0.85 0.00 0.00 39 V 7.96 3.82 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 1.15 0.00 0.00 0.88 0.00 0.00 40 E 9.00 4.78 0.00 1.93 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 2.15 2.19 0.00 41 G 7.44 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 42 V 7.52 3.38 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 1.26 0.00 0.00 0.44 0.00 0.00 43 N 8.19 5.22 0.00 2.69 2.73 0.00 0.00 7.15 7.45 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 44 I 7.38 3.73 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.89 0.00 0.00 45 V 8.06 4.46 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 0.64 0.00 0.00 0.98 0.00 0.00 46 K 8.06 4.53 0.00 1.64 1.50 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.30 7.81 47 K 7.61 4.17 0.00 1.67 1.81 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.31 7.81 48 A 6.92 3.84 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 0.00 0.00 0.00 0.00 0.00 49 V 8.46 4.38 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 0.75 0.00 0.00 1.10 0.00 0.00 50 R 7.88 3.94 0.00 2.01 2.01 0.00 3.31 0.00 0.00 3.17 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 51 V 8.35 3.73 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 0.80 0.00 0.00 0.92 0.00 0.00 52 S 7.64 4.49 0.00 3.88 3.86 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 53 P 0.00 4.62 0.00 2.02 2.09 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 54 K 8.22 3.54 0.00 1.34 0.81 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.26 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 1.25 7.81 55 Y 8.98 3.33 0.00 3.11 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 56 P 0.00 4.11 0.00 2.24 2.37 0.00 3.81 0.00 0.00 3.72 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 57 Q 8.33 4.85 0.00 2.10 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 58 G 7.84 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 0.00 0.00 0.00 0.00 59 G 8.48 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.63 4.93 0.00 2.92 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 61 I 7.59 4.58 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.53 0.93 0.00 0.00 62 E 6.96 3.98 0.00 1.95 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 2.22 2.34 0.00 63 K 8.00 4.66 0.00 1.45 1.66 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.40 7.81 64 E 8.77 4.14 0.00 1.78 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 0.00 2.27 2.53 0.00 65 A 10.24 4.13 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 66 P 0.00 3.50 0.00 2.11 2.21 0.00 3.67 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 2.06 2.09 0.00 67 L 7.85 3.85 0.00 1.97 1.59 0.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.79 4.37 0.00 3.25 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 9.45 3.85 0.65 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 0.00 0.00 70 S 8.60 4.26 0.00 4.09 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 71 K 7.70 4.26 0.00 1.89 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.38 7.81 72 V 7.08 4.62 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 0.63 0.00 0.00 0.89 0.00 0.00 73 R 8.77 4.81 0.00 1.69 1.75 0.00 3.13 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 1.54 1.58 0.00 74 P 0.00 4.79 0.00 2.06 2.05 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 75 I 7.85 4.28 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 1.34 1.25 0.91 0.00 0.00 76 C 7.99 4.49 0.00 2.94 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 77 P 0.00 4.50 0.00 2.07 2.06 0.00 3.78 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 2.04 2.13 0.00 78 A 7.43 4.62 1.25 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 0.00 0.00 79 C 8.09 4.84 0.00 3.03 2.88 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 80 G 9.90 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 81 K 9.39 3.83 0.00 2.00 1.83 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.44 7.81 82 P 0.00 4.48 0.00 2.12 1.96 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 83 T 8.40 4.12 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 1.22 0.00 0.00 84 R 7.92 4.58 0.00 1.97 1.84 0.00 3.03 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 85 V 8.34 4.91 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 0.95 0.00 0.00 0.94 0.00 0.00 86 R 8.50 4.78 0.00 1.94 1.73 0.00 3.16 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 87 K 8.77 3.98 0.00 1.96 1.97 0.00 1.78 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 88 K 8.05 4.20 0.00 1.92 2.28 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.48 7.81 89 F 8.47 3.81 0.00 3.10 3.27 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 0.00 90 L 6.85 4.33 0.00 1.75 1.56 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.74 4.60 0.00 1.98 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 2.26 2.23 0.00 92 N 8.51 4.83 0.00 2.66 2.62 0.00 0.00 6.55 7.98 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 93 G 8.43 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 0.00 0.00 0.00 0.00 94 K 8.52 5.22 0.00 1.81 1.79 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.44 7.81 95 K 9.34 5.07 0.00 1.62 1.68 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.21 7.81 96 I 8.89 4.31 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 1.26 1.46 0.91 0.00 0.00 97 R 8.58 3.80 0.00 1.84 2.03 0.00 3.18 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 98 V 8.23 3.32 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 0.79 0.00 0.00 0.93 0.00 0.00 99 C 7.89 4.62 0.00 2.95 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 0.00 100 A 7.52 3.80 1.41 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 0.00 101 K 8.25 3.91 0.00 1.99 1.85 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.42 7.81 *102 C 8.37 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.