NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2839 8.2493 123.5840 50.4710 21.1335 177.6086 2 T 4.3899 7.2847 104.2407 58.5094 72.9283 174.2238 3 L 3.9924 8.5026 121.5934 58.0234 41.8311 181.0607 4 K 4.0152 8.0056 118.9858 59.4432 32.2395 178.4921 5 D 4.4087 7.7726 117.7913 57.5600 40.7166 178.9315 6 I 3.8001 7.8417 120.2481 64.6987 37.2097 178.5067 7 T 3.7559 8.2843 116.7678 66.5809 68.2346 176.6024 8 R 3.8311 7.8501 120.4343 59.5527 30.2933 178.4073 9 R 3.9101 7.8913 117.8821 59.5289 30.0732 178.7728 10 L 3.8992 8.1649 118.5006 57.6879 41.5408 179.3390 11 K 3.8491 7.7868 119.4720 59.5578 32.0498 178.8564 12 S 4.1043 8.1305 114.3227 61.7394 63.0950 176.5066 13 I 3.8222 7.7713 123.2825 63.1787 36.5971 178.5544 14 K 4.0117 8.0047 119.3106 59.2538 32.1265 178.7502 15 N 4.4451 7.8469 116.8142 56.4108 38.5694 177.1707 16 I 3.6590 7.8370 121.1465 64.6971 37.1493 177.8848 17 Q 3.9693 7.9109 119.7558 59.5070 28.7993 179.1155 18 K 4.0078 7.8965 118.6381 59.3375 32.0490 179.5715 19 I 3.6952 7.6436 119.8378 64.6648 37.2346 178.4565 20 T 3.7145 7.9835 110.4844 64.6415 68.4755 176.1940 21 K 4.0850 7.9139 122.4276 59.0085 32.1146 178.8741 22 S 4.0985 7.9459 113.5748 61.5133 62.3765 175.8779 23 M 4.0239 8.7328 121.9649 58.2286 31.6310 178.4259 24 K 3.8216 7.9635 119.6110 60.0987 32.4635 178.6876 25 M 4.1001 7.8634 118.3269 58.2158 31.8019 179.0549 26 V 3.5615 8.2349 118.6437 65.8588 31.6870 177.8048 27 A 4.6653 8.8401 121.9680 54.6792 18.2391 179.3039 28 A 4.0278 8.4214 119.3217 55.3910 18.3584 179.7433 29 A 3.9680 7.9314 118.6964 55.4134 18.4111 180.0972 30 K 4.0856 8.2873 116.8815 59.1902 31.9796 179.2099 31 Y 3.9813 8.2996 120.3230 60.7710 38.8359 177.8389 32 A 3.4936 8.0431 121.6163 54.9638 18.2035 179.8216 33 R 3.8417 7.4225 114.2609 58.8849 30.4446 178.5061 34 A 4.0771 7.4739 120.2528 54.1054 18.6052 179.2312 35 E 3.5990 7.7628 118.4933 59.0715 29.4471 178.2788 36 R 4.3679 7.3974 114.5233 56.3719 30.1018 176.4329 37 E 4.5419 7.3223 116.4807 55.4962 30.9599 176.2132 38 L 4.1552 7.5419 119.5846 57.7192 42.5934 178.5411 39 K 3.8686 7.9663 118.1403 59.1858 31.9558 177.3390 40 P 4.2800 0.0000 0.0000 64.8188 31.5364 177.6720 41 A 4.7840 7.4555 119.5719 52.4114 19.2500 178.2306 42 R 4.6847 7.9742 117.7105 58.6888 30.8173 179.2193 43 V 3.6672 7.8324 117.1882 64.7519 31.5535 176.9518 44 Y 4.2622 7.6450 117.9012 58.8868 38.7027 177.0527 45 G 3.4179 8.0457 106.2508 47.9605 0.0000 175.4228 46 V 3.5781 7.7081 119.7495 64.7384 31.7841 176.5927 47 G 4.0237 7.7313 106.7579 45.2310 0.0000 173.4871 *72 S 4.4635 8.1984 116.4240 57.1194 63.8860 176.1690 73 S 4.5429 8.5158 117.2071 58.1302 65.3161 175.3890 74 D 4.4257 8.4556 119.2849 56.7639 40.8954 177.2825 75 R 4.2994 7.3356 120.1163 55.1494 30.4253 176.4606 76 G 3.9842 8.4134 118.1317 45.8312 0.0000 173.7008 77 L 3.6533 8.6952 118.9853 56.2528 39.0929 174.1126 78 C 4.8992 7.2992 107.7844 58.1671 31.0005 175.5641 79 G 3.7722 7.8875 113.5808 48.4523 0.0000 174.9908 80 A 4.3971 8.6335 127.5492 52.2323 18.3116 179.0984 81 I 3.5496 7.2620 117.5691 65.7767 37.1098 178.0833 82 H 4.1819 7.8582 116.2413 58.7446 28.7300 178.0755 83 S 4.1766 8.0580 115.9115 61.4968 62.8015 176.3320 84 S 4.1214 8.4378 116.9626 60.9784 62.1135 176.2036 85 V 3.7353 7.5335 113.9377 63.2201 31.3750 178.1274 86 A 4.1978 7.7360 119.2501 54.2643 18.2345 179.2532 87 K 4.0460 7.8294 118.2085 59.6046 32.4518 178.4015 88 Q 4.1432 7.4846 117.2234 57.2810 29.2489 175.3934 89 M 4.2383 6.9488 117.7971 54.9718 33.3936 174.8792 *106 I 3.9222 7.9778 120.4944 60.9985 38.2475 175.6357 107 G 4.1321 8.5727 113.6330 43.5408 0.0000 172.9289 108 V 4.0908 8.1909 121.9066 61.5849 32.5667 176.2402 109 G 3.9950 8.7546 112.7325 45.2919 0.0000 173.5868 110 D 4.2977 9.0856 122.3304 56.9507 41.0577 178.4075 111 K 4.0169 8.2374 119.0033 58.3534 32.2089 178.5548 112 I 3.9415 7.5290 120.7086 64.6030 36.9498 178.2170 113 R 3.9552 7.4667 116.0224 59.4126 29.4277 178.7950 114 S 4.2705 8.0299 112.6294 59.8501 63.2694 175.0995 115 I 4.0746 7.1164 122.5522 61.4003 38.2738 175.4500 *129 K 3.9363 7.1922 118.2977 56.7543 33.0632 173.6440 130 E 3.7979 9.3073 120.1539 57.5772 28.4303 174.4247 131 V 4.4485 7.8616 115.7283 60.7129 34.8173 174.7854 132 G 4.1169 9.0825 110.9784 46.6438 0.0000 175.4138 133 R 3.9863 7.8711 117.2986 58.6233 30.2848 176.7287 134 R 4.4073 7.5593 115.2683 53.6239 31.4919 174.2768 135 P 4.1239 0.0000 0.0000 61.9590 31.4083 174.4628 136 P 4.3180 0.0000 0.0000 63.2616 31.4995 176.2061 137 T 4.6783 8.6678 113.2315 59.3888 71.1468 175.2448 138 F 3.8602 9.2036 123.5111 61.3570 39.2355 176.2681 139 G 4.0488 8.4517 107.6558 48.7564 0.0000 174.3263 140 D 4.6289 7.5354 124.4875 53.8934 40.7136 175.9526 *161 I 4.0749 8.1786 125.1591 62.2559 37.9677 174.6647 162 F 4.9078 8.1605 118.2629 55.7091 40.7180 172.2139 163 N 5.0237 8.6092 118.6514 51.9594 39.8935 174.6384 164 R 4.5813 8.9599 125.2334 54.3283 31.7066 175.2534 165 F 4.3405 8.7779 128.7801 59.0305 39.6000 173.2780 166 R 4.2191 7.8999 121.1427 56.2748 33.5152 177.3672 167 S 4.5106 6.5988 109.9762 56.2987 66.6264 174.8279 168 V 3.6178 8.6144 112.3988 64.5430 31.1260 177.4926 169 I 4.1753 7.3577 117.4412 61.6515 37.9507 175.2025 170 S 4.7393 7.4783 114.7225 56.8504 66.2472 172.0397 171 Y 4.9950 7.5914 118.5946 56.0530 40.1696 173.1698 172 K 4.5560 8.6716 123.4288 54.8680 35.2239 175.0793 173 T 4.5993 8.1446 122.5012 62.7482 69.0580 174.6984 *206 E 4.3867 8.8192 124.2592 56.5203 31.9128 177.5525 207 Y 4.3198 8.0153 119.6012 60.1738 39.4849 176.9643 208 S 4.2794 8.1064 113.0116 59.8297 63.9018 175.7197 209 L 4.0717 7.8730 122.9690 58.0461 42.0834 178.0000 210 A 3.8579 7.7532 120.2028 55.0865 18.1976 179.2825 211 N 4.2212 7.9210 114.9838 56.7792 38.5322 177.7328 212 I 3.8303 7.3515 119.6585 64.0871 37.1043 178.6282 213 I 3.6050 7.8871 121.0188 64.6480 36.8644 177.9228 214 Y 3.8946 8.1490 120.5440 60.3517 38.3967 177.3200 215 Y 4.0655 8.1122 121.0416 60.5746 38.8865 177.9339 216 S 2.9501 7.3888 115.1583 60.8544 62.5633 175.8738 217 L 3.7628 7.4719 124.2161 57.9320 41.5517 179.2326 218 K 3.9070 7.3152 117.6772 58.7787 31.8812 179.1933 219 E 4.0302 7.5244 118.9732 58.9477 29.2641 179.0650 220 S 4.1090 8.1630 114.0896 61.3826 62.5104 176.0297 221 T 3.9756 7.5240 110.7806 64.2528 68.8612 177.1101 222 T 3.8580 7.3210 119.2757 66.4801 68.3144 176.9566 223 S 4.2701 7.9504 116.8354 61.5117 62.8372 175.9406 224 E 3.7540 8.2638 122.1709 59.7853 29.4758 179.0965 225 Q 4.2852 8.3645 117.8773 58.3293 28.7729 179.0020 226 S 3.6578 8.0803 115.2014 61.2826 63.1916 176.4016 227 A 4.0197 8.2131 125.2143 54.6432 18.0898 179.5968 228 R 3.8258 8.5728 117.5919 59.6058 30.1374 178.1452 229 M 3.9471 7.8979 117.9640 59.1131 32.0490 178.4882 230 T 3.7856 7.8319 115.2737 66.4943 68.6399 176.4553 231 A 3.9867 8.2912 123.0952 55.8318 18.3407 179.7269 232 M 4.0562 8.2294 116.9817 58.1672 31.9733 178.3569 233 D 4.3287 8.0662 118.4462 57.6278 41.3522 178.3433 234 N 4.3247 8.4333 116.7259 56.1346 38.4839 177.3572 235 A 3.9503 8.3645 122.6335 55.2477 18.4986 179.5910 236 S 4.1322 8.3048 113.3777 60.8618 62.3421 176.6362 237 K 3.9668 8.0828 121.1698 59.3995 31.7936 178.8152 238 N 4.2510 8.7371 116.9128 56.5289 38.5394 177.2201 239 A 3.9677 8.3253 122.1513 55.1752 18.3413 179.5913 240 S 4.0173 8.2124 111.6344 61.6063 62.3523 176.0577 241 E 3.9570 8.3721 121.4506 59.8801 29.3230 179.2015 242 M 4.0932 8.2351 117.9988 58.3197 32.1966 178.4465 243 I 3.6956 7.7920 120.3067 64.3260 37.2557 177.8727 244 D 4.3341 7.7782 119.7280 57.4283 40.7396 178.6245 245 K 3.8549 7.7730 119.8499 59.8659 32.0217 178.5874 246 L 4.1778 7.8980 118.2833 57.6896 41.7493 179.4554 247 T 3.7653 8.0510 116.0469 66.3962 68.3081 176.7638 248 L 4.0246 8.4002 121.4013 58.0612 41.6432 179.3806 249 T 3.8686 7.9043 115.6858 66.7571 68.4152 175.9213 250 F 4.0529 8.9075 123.1022 61.8755 39.2852 177.0790 251 N 4.4042 8.3155 115.1642 56.0193 38.4408 177.8092 252 R 3.9089 8.1686 119.8465 59.4590 30.0325 179.1984 253 T 3.8545 8.2215 116.0718 66.3190 68.0695 176.8849 254 R 3.5901 8.0597 120.9976 59.4264 30.0599 178.6480 255 Q 3.9414 8.1696 117.6380 58.7898 28.6788 178.5827 256 A 3.9030 7.7408 121.2491 55.1218 18.3762 179.5774 257 V 3.4841 7.9214 117.0736 66.3174 31.4981 178.2385 258 I 3.6526 7.3419 118.7126 64.6882 36.9078 178.4491 259 T 3.7872 7.7398 116.3524 66.5985 68.3463 176.2857 260 K 3.7963 8.3412 121.8128 59.7988 31.6024 178.1997 261 E 4.0704 8.4214 119.4887 59.1985 29.4556 178.5303 262 L 4.0505 7.8455 120.3920 57.9360 42.2164 178.8919 263 I 3.7232 8.1258 120.2588 64.2645 37.1162 178.0905 264 E 3.9801 8.3206 119.5312 59.5597 29.3435 179.6176 265 I 3.7547 7.3601 118.8078 64.2730 37.2041 178.5768 266 I 3.6680 7.8865 120.6375 64.6590 36.8872 178.5672 267 S 4.3208 8.2269 116.0609 61.6865 62.3867 177.1755 268 G 3.5872 7.8193 106.8564 47.6667 0.0000 175.3805 269 A 4.1493 7.9250 122.8216 54.8543 18.3079 179.6685 270 A 3.9760 8.3679 118.3932 54.9343 18.5516 179.0846 271 A 4.1598 7.6032 117.0885 53.5297 18.6108 177.5183 272 L 4.1240 7.5493 122.3956 54.8671 41.7205 176.8411 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 1 A 8.25 4.28 1.30 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 0.00 0.00 0.00 2 T 7.28 4.39 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 3 L 8.50 3.99 0.00 1.70 1.83 0.76 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.01 4.02 0.00 1.89 1.82 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.61 7.81 5 D 7.77 4.41 0.00 2.97 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 6 I 7.84 3.80 2.10 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 1.58 0.80 1.09 0.00 0.00 7 T 8.28 3.76 4.29 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 1.16 0.00 0.00 8 R 7.85 3.83 0.00 1.86 1.92 0.00 3.14 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 9 R 7.89 3.91 0.00 2.06 2.02 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 10 L 8.16 3.90 0.00 1.91 1.63 0.71 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.79 3.85 0.00 2.03 1.79 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 S 8.13 4.10 0.00 4.09 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 13 I 7.77 3.82 1.86 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 1.52 1.16 0.90 0.00 0.00 14 K 8.00 4.01 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.61 7.81 15 N 7.85 4.45 0.00 2.81 2.85 0.00 0.00 6.99 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 16 I 7.84 3.66 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 1.40 1.00 0.91 0.00 0.00 17 Q 7.91 3.97 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 18 K 7.90 4.01 0.00 1.95 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.69 7.81 19 I 7.64 3.70 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 1.69 0.97 0.91 0.00 0.00 20 T 7.98 3.71 4.39 0.00 0.00 0.00 0.00 0.00 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 21 K 7.91 4.09 0.00 1.92 2.01 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.44 7.81 22 S 7.95 4.10 0.00 3.96 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 23 M 8.73 4.02 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 24 K 7.96 3.82 0.00 1.96 2.03 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.73 7.81 25 M 7.86 4.10 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.76 0.00 26 V 8.23 3.56 2.21 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 1.01 0.00 0.00 0.97 0.00 0.00 27 A 8.84 4.67 1.46 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 28 A 8.42 4.03 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 29 A 7.93 3.97 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 30 K 8.29 4.09 0.00 1.99 1.86 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.56 7.81 31 Y 8.30 3.98 0.00 3.08 3.20 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 0.00 0.00 0.00 32 A 8.04 3.49 1.33 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 33 R 7.42 3.84 0.00 1.78 1.94 0.00 3.27 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 34 A 7.47 4.08 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 35 E 7.76 3.60 0.00 1.16 1.46 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 1.63 1.86 0.00 36 R 7.40 4.37 0.00 1.85 1.87 0.00 3.10 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 37 E 7.32 4.54 0.00 2.06 1.78 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 2.16 2.17 0.00 38 L 7.54 4.16 0.00 1.78 1.66 0.93 1.06 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 39 K 7.97 3.87 0.00 1.86 1.86 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.46 7.81 40 P 0.00 4.28 0.00 2.21 2.14 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 41 A 7.46 4.78 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 42 R 7.97 4.68 0.00 2.20 2.12 0.00 3.25 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 43 V 7.83 3.67 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 0.90 0.00 0.00 0.96 0.00 0.00 44 Y 7.64 4.26 0.00 3.04 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 45 G 8.05 3.42 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 0.00 46 V 7.71 3.58 2.02 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 0.76 0.00 0.00 0.87 0.00 0.00 47 G 7.73 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 *72 S 8.20 4.46 0.00 4.04 3.40 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 73 S 8.52 4.54 0.00 4.14 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 74 D 8.46 4.43 0.00 2.70 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 75 R 7.34 4.30 0.00 1.95 1.84 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 76 G 8.41 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 77 L 8.70 3.65 0.00 1.81 1.76 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.30 4.90 0.00 2.99 3.05 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 79 G 7.89 3.77 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 0.00 0.00 0.00 80 A 8.63 4.40 1.37 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 0.00 0.00 0.00 81 I 7.26 3.55 1.59 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.61 0.00 0.00 82 H 7.86 4.18 0.00 3.18 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.06 4.18 0.00 4.07 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 84 S 8.44 4.12 0.00 4.31 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 85 V 7.53 3.74 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 0.91 0.00 0.00 0.99 0.00 0.00 86 A 7.74 4.20 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.05 0.00 1.96 2.03 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 Q 7.48 4.14 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 89 M 6.95 4.24 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 *106 I 7.98 3.92 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 1.35 0.66 0.91 0.00 0.00 107 G 8.57 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.19 4.09 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 0.76 0.00 0.00 0.91 0.00 0.00 109 G 8.75 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 0.00 0.00 0.00 110 D 9.09 4.30 0.00 2.90 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 0.00 111 K 8.24 4.02 0.00 1.73 1.63 0.00 1.64 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.83 1.37 7.81 112 I 7.53 3.94 2.07 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 1.60 0.79 0.92 0.00 0.00 113 R 7.47 3.96 0.00 1.91 2.06 0.00 3.06 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.63 0.00 114 S 8.03 4.27 0.00 4.03 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 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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 1.69 0.00 165 F 8.78 4.34 0.00 3.14 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 0.00 166 R 7.90 4.22 0.00 1.61 1.59 0.00 3.05 0.00 0.00 3.19 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 167 S 6.60 4.51 0.00 3.89 3.82 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 0.00 0.00 0.00 168 V 8.61 3.62 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 0.62 0.00 0.00 0.94 0.00 0.00 169 I 7.36 4.18 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.88 0.00 0.00 170 S 7.48 4.74 0.00 3.75 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 7.59 4.99 0.00 3.04 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 0.00 172 K 8.67 4.56 0.00 1.76 1.60 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.29 7.81 173 T 8.14 4.60 4.20 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 0.00 0.00 1.22 0.00 0.00 *206 E 8.82 4.39 0.00 2.13 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 2.33 2.34 0.00 207 Y 8.02 4.32 0.00 3.03 3.02 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 0.00 208 S 8.11 4.28 0.00 4.04 4.14 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 0.00 209 L 7.87 4.07 0.00 1.79 1.88 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 210 A 7.75 3.86 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 0.00 211 N 7.92 4.22 0.00 2.79 2.84 0.00 0.00 6.97 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 0.00 212 I 7.35 3.83 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 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3.98 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 1.14 0.00 0.00 222 T 7.32 3.86 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 0.39 0.00 0.00 223 S 7.95 4.27 0.00 3.87 3.45 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 0.00 0.00 0.00 0.00 224 E 8.26 3.75 0.00 1.98 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 2.28 2.31 0.00 225 Q 8.36 4.29 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 226 S 8.08 3.66 0.00 4.04 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 0.00 227 A 8.21 4.02 1.46 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 0.00 228 R 8.57 3.83 0.00 1.82 1.98 0.00 3.12 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 229 M 7.90 3.95 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.54 0.00 230 T 7.83 3.79 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 1.20 0.00 0.00 231 A 8.29 3.99 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 0.00 232 M 8.23 4.06 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.79 0.00 233 D 8.07 4.33 0.00 2.93 2.85 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 0.00 234 N 8.43 4.32 0.00 2.94 2.84 0.00 0.00 6.97 8.02 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 0.00 235 A 8.36 3.95 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 0.00 236 S 8.30 4.13 0.00 3.95 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 0.00 237 K 8.08 3.97 0.00 2.06 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.62 7.81 238 N 8.74 4.25 0.00 2.99 2.88 0.00 0.00 6.95 7.21 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 0.00 239 A 8.33 3.97 1.37 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 0.00 0.00 0.00 240 S 8.21 4.02 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 E 8.37 3.96 0.00 2.31 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 2.33 2.46 0.00 242 M 8.24 4.09 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 243 I 7.79 3.70 2.03 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 1.50 0.66 0.89 0.00 0.00 244 D 7.78 4.33 0.00 2.75 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 0.00 245 K 7.77 3.85 0.00 1.77 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 246 L 7.90 4.18 0.00 1.77 1.73 0.93 0.68 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 0.00 247 T 8.05 3.77 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 248 L 8.40 4.02 0.00 1.84 1.73 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 249 T 7.90 3.87 4.43 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 1.23 0.00 0.00 250 F 8.91 4.05 0.00 3.18 3.30 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 0.00 251 N 8.32 4.40 0.00 2.98 2.89 0.00 0.00 7.10 7.03 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 0.00 252 R 8.17 3.91 0.00 1.98 1.96 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 253 T 8.22 3.85 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 1.11 0.00 0.00 254 R 8.06 3.59 0.00 1.19 1.84 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 255 Q 8.17 3.94 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 256 A 7.74 3.90 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 0.00 257 V 7.92 3.48 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 1.06 0.00 0.00 0.86 0.00 0.00 258 I 7.34 3.65 1.98 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 1.49 0.56 0.90 0.00 0.00 259 T 7.74 3.79 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 1.20 0.00 0.00 260 K 8.34 3.80 0.00 1.76 2.04 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 261 E 8.42 4.07 0.00 2.09 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 2.30 2.31 0.00 262 L 7.85 4.05 0.00 1.96 1.81 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 263 I 8.13 3.72 1.86 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 1.51 0.80 0.90 0.00 0.00 264 E 8.32 3.98 0.00 2.18 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 0.00 2.33 2.35 0.00 265 I 7.36 3.75 2.01 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 1.52 1.12 0.91 0.00 0.00 266 I 7.89 3.67 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 1.64 0.78 0.91 0.00 0.00 267 S 8.23 4.32 0.00 3.87 3.92 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 0.00 268 G 7.82 3.59 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 0.00 269 A 7.92 4.15 1.37 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 0.00 0.00 0.00 270 A 8.37 3.98 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 0.00 271 A 7.60 4.16 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 0.00 272 L 7.55 4.12 0.00 1.67 1.59 0.92 1.09 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 * Residues marked with a * may have inaccurate shift predictions.