NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.3173 8.2493 123.5830 51.7397 19.6683 179.5392 9 P 4.4482 0.0000 0.0000 61.6685 29.9457 171.5301 10 V 3.9384 8.3555 127.8855 63.2363 33.4845 175.1452 11 E 5.1700 8.6724 127.2576 54.4378 32.9088 174.8675 12 V 4.7350 9.0612 125.3013 61.4972 35.0266 174.1072 13 T 5.1503 9.5571 116.8740 59.2355 71.9931 172.6682 14 Y 5.3253 7.8189 134.2056 57.7452 41.1987 171.7631 15 K 4.2349 8.1406 125.9563 56.7303 34.8791 175.9388 16 N 4.6384 7.5417 117.3205 52.6211 39.5735 174.4459 *18 R 4.2435 7.8057 115.6207 56.0076 32.0237 175.5008 19 F 5.4832 9.7714 122.8154 55.4965 43.1794 174.1763 20 L 4.8908 8.7416 124.3612 53.4016 44.3933 175.1535 21 I 4.8061 8.6262 128.9639 60.8437 38.3154 175.5075 22 T 4.8393 8.3469 116.4300 60.0746 71.6927 174.0419 23 H 4.8092 8.6456 123.8757 55.8116 30.9140 173.1239 24 N 4.9657 8.0859 115.8841 50.7595 42.6021 174.0758 25 P 4.4254 0.0000 0.0000 62.3405 30.6186 177.9695 *28 A 4.2582 8.7530 116.7480 51.6942 18.7181 177.7882 29 T 4.5885 7.4486 106.2807 59.4632 69.0895 173.5795 30 L 4.4645 7.9571 126.9905 56.3147 42.5391 176.3935 31 N 4.6231 7.9191 116.2449 56.3199 39.1557 177.2956 32 K 4.0578 7.9932 119.4730 59.0441 32.2656 179.0024 33 F 4.2121 7.7950 119.3089 61.3065 39.2544 177.2124 34 I 3.5537 7.5044 117.9590 64.5062 36.9811 178.0355 35 E 3.9084 7.8436 119.4279 59.5669 29.0569 179.2834 36 E 3.8373 7.6947 116.7128 59.4428 29.9208 178.9479 37 L 4.1974 7.4989 118.5965 58.0261 41.8330 179.6650 38 K 3.8727 8.1059 118.2067 59.7577 31.7788 179.4862 39 K 3.9257 7.7189 117.3515 59.3155 31.9946 178.3316 40 Y 4.4321 7.7781 114.9808 58.0746 38.1726 175.9257 41 G 3.7795 8.0266 108.4977 46.1856 0.0000 173.2101 42 V 4.7395 8.1568 119.2336 61.8237 32.0254 175.3540 43 T 4.5187 8.5036 116.2937 61.9764 71.1918 173.9912 44 T 5.2165 7.7170 118.2279 61.7883 73.2956 172.5151 45 I 4.9427 8.9536 124.8934 59.2590 41.8173 173.9829 46 V 4.3276 8.8758 129.8690 61.1488 33.3382 174.6399 47 R 4.3204 9.1486 130.8222 55.9529 30.3938 176.5824 48 V 4.4343 8.6333 127.1444 62.6698 33.0825 174.8775 49 C 4.8669 7.4962 114.7499 56.4723 31.9607 172.3170 50 E 4.0309 8.3556 119.3025 55.8220 29.1541 175.5427 *54 D 4.3489 8.2886 123.9773 53.6125 41.1941 175.6188 55 T 4.0353 8.1334 115.3866 63.6726 68.6444 175.7258 56 T 3.8625 7.8590 119.0899 66.7990 68.3087 175.7321 57 L 3.9337 7.3183 123.7602 58.2920 42.1484 178.7663 58 V 4.4163 7.7286 118.7731 65.8426 31.4236 177.3918 59 E 4.4293 8.3964 119.2142 58.4732 29.1173 179.2456 60 K 3.7872 7.9051 119.4599 59.6929 32.3616 177.2816 61 E 4.2778 8.0106 114.8994 56.7346 29.2997 177.6977 62 G 4.0576 8.2009 106.5640 45.4298 0.0000 173.4992 63 I 4.5472 7.3925 120.0402 59.3463 39.4224 174.9912 64 H 4.5832 9.4769 125.7760 56.0096 29.7398 174.5229 65 V 4.7863 8.7937 123.1353 61.0085 33.7144 174.6126 66 L 4.5870 8.8664 127.7005 53.1499 44.5827 175.3636 67 D 4.9871 8.9175 124.7691 52.3757 40.6361 176.0608 68 W 5.1342 8.5693 125.5575 54.4668 28.7441 173.1269 69 P 5.2100 0.0000 0.0000 61.8870 32.2514 176.5312 70 F 5.0356 8.1615 116.8845 55.3081 40.5452 173.5025 71 D 4.3676 9.0231 120.8195 54.0656 41.5355 176.3113 72 D 4.4092 8.3505 122.3651 54.4018 40.2759 175.5025 73 G 4.2776 8.9623 112.6847 45.7825 0.0000 174.2194 74 A 4.1939 7.0569 120.7269 50.8816 19.0230 175.4204 75 P 3.9389 0.0000 0.0000 61.0236 32.0718 175.1061 76 P 3.5332 0.0000 0.0000 62.0235 31.9186 176.7855 77 S 4.2631 8.1064 115.6878 58.5762 64.8926 175.1746 78 N 4.4554 8.5399 118.7102 56.0519 38.1121 177.7784 79 Q 3.8693 7.8834 119.4284 58.8930 28.8617 178.2058 80 I 3.2370 7.5559 120.5223 64.4394 37.2189 178.3588 81 V 3.6895 7.4673 118.3509 66.4383 31.2392 177.8272 82 D 4.3685 8.1454 118.1458 57.5210 40.7114 178.5289 83 D 4.2157 8.1283 119.6603 56.8594 40.5890 178.5033 84 W 4.9481 8.8733 129.5018 61.0233 30.8126 178.1195 85 L 3.7144 8.2104 118.6831 57.5959 40.9498 179.8498 86 S 4.0552 8.0747 115.3992 61.2305 62.8358 175.8998 87 L 3.8447 8.3422 123.4912 58.4867 41.6032 179.0417 88 V 2.6769 7.2802 117.7259 65.7766 31.1905 177.6244 89 K 3.7888 7.5903 118.1432 59.4537 32.1174 178.2270 90 I 3.9966 7.5419 119.4051 63.6931 37.5368 177.7649 91 K 3.6862 7.6938 120.3521 59.8380 31.6410 178.3799 92 F 4.7846 7.4471 115.9037 59.4377 38.9413 176.8600 93 R 4.3074 7.6816 117.1007 58.0043 30.5666 177.3770 94 E 4.1318 8.7801 118.8669 58.2525 31.3525 177.1567 95 E 4.6185 8.3087 119.0083 53.1201 29.1661 172.8367 96 P 4.4123 0.0000 0.0000 64.7386 32.0450 177.1412 97 G 3.9047 8.9691 111.9658 45.0818 0.0000 173.0888 98 C 4.5202 7.6620 114.3520 57.8283 31.6669 171.9507 99 C 4.9129 8.3097 118.3789 58.4521 35.0931 173.2422 100 I 4.8935 8.5486 125.9031 59.8161 39.1580 174.4201 101 A 5.1457 8.8955 128.7655 50.6856 21.3786 176.0754 102 V 4.8098 8.8434 121.3065 61.2810 34.9145 174.0661 103 H 5.2545 9.1526 122.6994 54.1655 31.9003 172.7628 104 S 4.7551 8.2018 116.3368 57.3241 64.9147 173.1888 105 V 3.5809 8.2745 117.5291 65.6441 30.4475 177.8878 106 A 4.3744 7.8051 120.7491 51.3199 19.8907 178.0322 107 G 3.9932 7.8793 102.6983 46.2891 0.0000 174.4259 108 L 4.4439 7.3566 117.0906 53.9459 42.6986 177.0894 109 G 3.9867 7.1251 105.3636 45.5565 0.0000 174.8410 110 R 4.0241 8.3539 116.9792 58.6726 30.8230 178.5314 111 A 3.9204 7.8232 120.0503 54.6689 18.5475 177.6549 112 P 4.1846 0.0000 0.0000 65.9002 30.9832 178.5054 113 V 3.8039 7.9168 117.9369 66.1612 31.6306 177.8799 114 L 3.7818 7.5832 118.6802 57.7751 41.3894 179.8301 115 V 3.2727 7.5484 117.6006 65.6664 31.4342 177.9594 116 A 4.0131 8.4835 120.8456 55.4146 18.2788 179.3404 117 L 3.9168 8.2948 117.5542 58.0975 41.6333 179.9612 118 A 4.1215 8.1595 119.9389 55.3372 18.2173 179.7050 119 L 4.1546 7.6625 115.9844 57.8834 41.8751 179.6096 120 I 3.9330 8.3604 120.1410 64.6743 37.3150 178.4506 121 E 4.2711 8.7139 119.4399 59.1369 29.0324 179.3838 122 G 3.8910 7.9656 104.7890 45.0752 0.0000 172.7910 123 G 3.9387 7.8668 110.9825 45.9429 0.0000 174.0059 *125 K 4.1670 7.6994 118.6711 55.9620 34.1353 177.1379 126 Y 4.2026 8.8182 120.5972 60.7867 37.4220 179.0145 127 E 3.2913 7.3047 119.4154 58.9942 29.5499 178.8307 128 D 4.2931 8.0158 118.7970 57.2339 40.8741 178.7044 129 A 4.0028 7.6964 120.9168 54.9999 18.3891 179.7442 130 V 3.5934 7.8618 116.9541 66.0042 31.4707 178.3786 131 Q 3.9698 8.0974 117.8476 58.9847 28.4258 178.0722 132 F 4.0054 8.0505 120.2415 61.8322 39.5172 177.1539 133 I 3.9928 7.9493 118.4952 64.4692 36.5464 178.6503 134 R 4.7607 8.3951 120.4217 58.7825 29.6219 178.7168 135 Q 3.7175 8.1922 118.9159 58.5256 28.9390 177.7644 136 K 4.5934 7.2468 117.4120 55.6773 33.7395 175.9778 137 R 4.3223 8.0150 118.9240 54.0625 30.8159 175.3570 138 R 3.7664 8.3215 123.1674 59.3909 30.4449 178.5997 139 G 4.0183 7.6113 105.4017 45.0730 0.0000 175.2558 140 A 3.4696 7.9227 123.5602 54.0781 18.7254 178.3224 141 F 4.9826 7.5018 112.5431 55.0850 43.2292 173.9160 142 N 5.0680 8.5026 120.0149 50.9981 41.0055 175.5750 143 S 4.1318 8.6363 115.4012 62.1533 62.6770 176.9442 144 K 3.9223 8.1454 119.8730 59.9655 31.8395 179.1595 145 Q 4.1559 9.0498 118.2338 58.9624 28.6607 178.8155 146 L 3.9711 8.2103 119.9551 58.0281 41.7716 179.5002 147 L 3.9432 7.9992 118.6682 57.9763 41.4182 179.0401 148 Y 4.0656 8.2381 119.5283 60.8902 38.5822 178.3781 149 L 3.6440 7.8779 118.2945 57.1570 41.6899 178.7866 150 E 2.5400 7.4133 119.0074 58.2407 29.5976 178.3627 151 K 4.0277 7.4982 116.4882 56.7239 32.7703 176.8743 152 Y 3.9096 6.8080 120.6645 57.5567 39.1177 175.3625 153 R 4.1066 7.2735 125.3836 53.2559 32.1359 173.8821 154 P 4.7073 0.0000 0.0000 61.4888 30.7985 176.2572 155 K 4.0475 8.3131 123.9025 56.5899 32.1296 176.5343 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 8 A 8.25 4.32 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 9 P 0.00 4.45 0.00 2.30 2.21 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 10 V 8.36 3.94 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 0.91 0.00 0.00 0.99 0.00 0.00 11 E 8.67 5.17 0.00 1.91 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 2.21 2.33 0.00 12 V 9.06 4.74 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 1.29 0.00 0.00 1.01 0.00 0.00 13 T 9.56 5.15 4.30 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 0.00 0.00 0.00 1.28 0.00 0.00 14 Y 7.82 5.33 0.00 2.96 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 15 K 8.14 4.23 0.00 1.52 0.83 0.00 0.85 0.00 0.00 1.38 0.00 0.00 2.68 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.00 1.07 7.81 16 N 7.54 4.64 0.00 2.55 2.69 0.00 0.00 6.96 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 *18 R 7.81 4.24 0.00 1.47 1.72 0.00 3.10 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 19 F 9.77 5.48 0.00 3.07 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 20 L 8.74 4.89 0.00 1.49 1.41 0.27 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.63 4.81 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.88 0.00 0.00 22 T 8.35 4.84 4.52 0.00 0.00 0.00 0.00 0.00 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 23 H 8.65 4.81 0.00 3.13 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.09 4.97 0.00 2.51 2.46 0.00 0.00 6.81 7.69 0.00 0.00 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 P 0.00 4.43 0.00 2.07 1.29 0.00 3.50 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.53 0.00 *28 A 8.75 4.26 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 29 T 7.45 4.59 4.26 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 1.21 0.00 0.00 30 L 7.96 4.46 0.00 1.72 1.69 0.88 0.80 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 31 N 7.92 4.62 0.00 2.80 2.86 0.00 0.00 7.10 7.12 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 32 K 7.99 4.06 0.00 1.87 1.90 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 33 F 7.79 4.21 0.00 3.09 3.26 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 34 I 7.50 3.55 2.06 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 1.61 0.76 0.96 0.00 0.00 35 E 7.84 3.91 0.00 2.05 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 2.58 2.51 0.00 36 E 7.69 3.84 0.00 2.11 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 2.51 2.56 0.00 37 L 7.50 4.20 0.00 1.67 1.63 0.63 0.48 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 38 K 8.11 3.87 0.00 1.94 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.65 7.81 39 K 7.72 3.93 0.00 1.53 1.60 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.59 7.81 40 Y 7.78 4.43 0.00 3.10 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 41 G 8.03 3.78 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 0.00 42 V 8.16 4.74 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 0.79 0.00 0.00 0.99 0.00 0.00 43 T 8.50 4.52 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 1.23 0.00 0.00 44 T 7.72 5.22 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 45 I 8.95 4.94 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.80 1.02 0.00 0.00 46 V 8.88 4.33 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 0.48 0.00 0.00 0.90 0.00 0.00 47 R 9.15 4.32 0.00 1.88 1.89 0.00 3.13 0.00 0.00 3.48 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 48 V 8.63 4.43 1.91 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 0.34 0.00 0.00 1.00 0.00 0.00 49 C 7.50 4.87 0.00 2.94 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 50 E 8.36 4.03 0.00 2.05 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 2.18 2.18 0.00 *54 D 8.29 4.35 0.00 2.72 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 55 T 8.13 4.04 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 1.20 0.00 0.00 56 T 7.86 3.86 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 1.22 0.00 0.00 57 L 7.32 3.93 0.00 1.78 1.70 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.73 4.42 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 1.22 0.00 0.00 1.03 0.00 0.00 59 E 8.40 4.43 0.00 2.19 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 2.50 2.36 0.00 60 K 7.91 3.79 0.00 1.95 1.98 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.46 7.81 61 E 8.01 4.28 0.00 2.14 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 2.29 2.41 0.00 62 G 8.20 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 63 I 7.39 4.55 1.89 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 1.36 0.96 0.92 0.00 0.00 64 H 9.48 4.58 0.00 3.08 3.20 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.79 4.79 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 0.77 0.00 0.00 1.07 0.00 0.00 66 L 8.87 4.59 0.00 0.88 0.53 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.92 4.99 0.00 2.60 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 68 W 8.57 5.13 0.00 3.43 3.01 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 69 P 0.00 5.21 0.00 1.98 2.15 0.00 3.87 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 70 F 8.16 5.04 0.00 2.94 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 71 D 9.02 4.37 0.00 2.77 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 72 D 8.35 4.41 0.00 2.70 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 73 G 8.96 4.28 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 0.00 74 A 7.06 4.19 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 75 P 0.00 3.94 0.00 1.81 1.09 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 76 P 0.00 3.53 0.00 1.58 0.49 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 77 S 8.11 4.26 0.00 4.01 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 78 N 8.54 4.46 0.00 2.74 2.91 0.00 0.00 6.81 7.69 0.00 0.00 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 Q 7.88 3.87 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 80 I 7.56 3.24 1.66 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 1.31 0.77 0.99 0.00 0.00 81 V 7.47 3.69 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 1.16 0.00 0.00 0.98 0.00 0.00 82 D 8.15 4.37 0.00 3.08 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 83 D 8.13 4.22 0.00 1.61 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 0.00 0.00 0.00 0.00 84 W 8.87 4.95 0.00 3.76 3.46 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 85 L 8.21 3.71 0.00 1.83 1.70 1.07 0.84 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 86 S 8.07 4.06 0.00 4.00 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 87 L 8.34 3.84 0.00 2.12 1.86 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.28 2.68 1.83 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 1.04 0.00 0.00 -0.15 0.00 0.00 89 K 7.59 3.79 0.00 1.76 1.79 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.50 7.81 90 I 7.54 4.00 1.81 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 1.38 0.66 0.88 0.00 0.00 91 K 7.69 3.69 0.00 1.68 1.42 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.14 1.47 7.81 92 F 7.45 4.78 0.00 2.93 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.68 4.31 0.00 1.98 1.94 0.00 3.24 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 94 E 8.78 4.13 0.00 1.98 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 0.00 2.33 2.36 0.00 95 E 8.31 4.62 0.00 2.21 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 2.23 2.25 0.00 96 P 0.00 4.41 0.00 2.03 2.03 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 97 G 8.97 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 98 C 7.66 4.52 0.00 3.15 3.15 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 99 C 8.31 4.91 0.00 2.92 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 0.00 100 I 8.55 4.89 2.19 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.55 1.22 0.00 0.00 101 A 8.90 5.15 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 0.00 102 V 8.84 4.81 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 0.72 0.00 0.00 1.06 0.00 0.00 103 H 9.15 5.25 0.00 3.42 3.37 0.00 5.25 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.20 4.76 0.00 3.77 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 0.00 105 V 8.27 3.58 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 0.74 0.00 0.00 0.82 0.00 0.00 106 A 7.81 4.37 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 0.00 107 G 7.88 3.99 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 0.00 0.00 0.00 108 L 7.36 4.44 0.00 1.65 1.71 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.13 3.99 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 0.00 0.00 0.00 110 R 8.35 4.02 0.00 1.60 1.61 0.00 2.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 111 A 7.82 3.92 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 0.00 112 P 0.00 4.18 0.00 1.70 2.05 0.00 3.51 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.75 0.00 113 V 7.92 3.80 2.45 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 1.19 0.00 0.00 1.23 0.00 0.00 114 L 7.58 3.78 0.00 1.25 0.22 0.67 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.55 3.27 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 0.82 0.00 0.00 0.89 0.00 0.00 116 A 8.48 4.01 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.29 3.92 0.00 1.95 1.70 0.85 -0.24 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 0.00 118 A 8.16 4.12 1.65 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 0.00 119 L 7.66 4.15 0.00 1.85 1.69 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.36 3.93 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.89 1.14 0.00 0.00 121 E 8.71 4.27 0.00 2.22 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 2.69 2.60 0.00 122 G 7.97 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 0.00 0.00 0.00 123 G 7.87 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 0.00 0.00 0.00 *125 K 7.70 4.17 0.00 2.06 1.79 0.00 1.60 0.00 0.00 2.01 0.00 0.00 3.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.52 7.81 126 Y 8.82 4.20 0.00 3.20 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 0.00 127 E 7.30 3.29 0.00 1.77 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 1.86 1.52 0.00 128 D 8.02 4.29 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.70 4.00 1.35 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 0.00 130 V 7.86 3.59 1.90 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 1.06 0.00 0.00 0.60 0.00 0.00 131 Q 8.10 3.97 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.46 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 132 F 8.05 4.01 0.00 3.07 3.24 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 0.00 133 I 7.95 3.99 2.21 0.00 0.00 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 1.70 0.92 0.89 0.00 0.00 134 R 8.40 4.76 0.00 2.10 2.02 0.00 3.29 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 135 Q 8.19 3.72 0.00 1.93 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 136 K 7.25 4.59 0.00 1.61 1.78 0.00 1.36 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.52 1.36 7.81 137 R 8.02 4.32 0.00 1.73 1.66 0.00 3.13 0.00 0.00 3.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 138 R 8.32 3.77 0.00 1.81 1.95 0.00 3.23 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 139 G 7.61 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 0.00 0.00 0.00 140 A 7.92 3.47 0.72 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 0.00 0.00 141 F 7.50 4.98 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 0.00 142 N 8.50 5.07 0.00 3.03 2.98 0.00 0.00 7.20 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.64 4.13 0.00 3.92 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 0.00 144 K 8.15 3.92 0.00 1.97 1.92 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.59 7.81 145 Q 9.05 4.16 0.00 2.53 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 146 L 8.21 3.97 0.00 2.02 1.80 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.00 3.94 0.00 1.95 1.74 1.01 0.64 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 0.00 148 Y 8.24 4.07 0.00 3.11 3.25 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 0.00 149 L 7.88 3.64 0.00 1.72 1.69 0.65 1.12 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 0.00 150 E 7.41 2.54 0.00 1.62 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 2.10 2.06 0.00 151 K 7.50 4.03 0.00 1.66 1.75 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.58 7.81 152 Y 6.81 3.91 0.00 2.40 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 0.00 153 R 7.27 4.11 0.00 1.50 1.59 0.00 3.14 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 1.34 1.45 0.00 154 P 0.00 4.71 0.00 2.19 2.17 0.00 3.19 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 155 K 8.31 4.05 0.00 1.68 1.71 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.