NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *29 S 4.4458 8.4345 117.0966 58.2080 62.9148 172.4857 *30 S 4.5318 8.2015 113.7903 58.6671 70.0800 171.9200 *31 K 4.2016 7.4668 121.6412 52.9437 33.6578 177.4500 32 E 4.9693 8.4431 107.1345 56.3751 27.9997 174.4816 33 P 4.7265 0.0000 0.0000 63.3308 33.4450 177.4111 34 K 4.7597 8.7474 119.4736 54.6649 37.0346 175.7693 35 F 4.9900 10.1896 123.0835 58.6455 39.1159 174.5476 36 T 4.5744 9.6024 112.5996 62.6916 69.8874 174.2690 37 K 4.6963 7.8610 122.7768 54.3564 36.0953 174.3293 38 C 5.4445 8.5361 121.7111 55.1459 38.9282 173.4572 39 R 4.8051 9.1229 122.7377 54.6684 33.9377 173.3790 40 S 5.2852 8.8321 120.2046 55.1884 64.0966 172.9512 41 P 4.6961 0.0000 0.0000 64.9531 31.7368 177.4504 42 E 4.5100 7.9335 113.3663 56.4880 30.7266 174.8905 43 R 3.9600 8.5101 117.0959 57.6215 29.2415 176.1707 44 E 4.8685 9.7088 117.7574 55.8358 32.2974 175.7588 45 T 5.2410 7.9829 107.7102 60.4443 73.1831 172.4771 46 F 5.0095 7.8162 115.1569 56.5089 41.6082 172.8439 47 S 5.1082 8.9762 112.9779 57.3401 66.7757 172.2292 48 C 5.6056 9.4229 118.3063 55.7390 42.0578 172.7785 49 H 5.4828 9.8613 118.1085 54.1581 32.8973 172.6263 50 W 5.6799 8.0629 117.0917 56.0933 31.6097 173.3964 51 T 4.6141 8.4735 110.8752 60.3769 70.5795 173.9541 52 D 4.7522 8.6799 123.2994 54.6782 41.9122 177.9093 53 E 4.4603 8.9293 122.1240 56.3705 29.8749 176.7728 54 V 4.6434 8.2086 125.5228 59.3678 35.4088 173.8025 *60 N 4.6387 8.7391 121.1695 52.8320 39.0603 174.9409 61 L 4.5835 8.1503 119.5009 54.6774 43.4330 177.5494 62 G 4.1499 8.5089 105.9783 44.3906 0.0000 172.1975 63 P 4.8213 0.0000 0.0000 61.6567 29.6914 174.7791 64 I 4.9549 7.2795 119.9058 61.0855 39.8725 176.7247 65 Q 4.7080 8.8830 122.7665 54.9051 34.0609 173.0651 66 L 5.1877 8.7557 122.0140 53.4794 45.6432 175.2402 67 F 5.6101 9.2855 123.2409 56.0479 43.4202 173.3382 68 Y 5.7848 9.5410 119.2626 56.1056 41.7224 173.6948 69 T 4.4265 8.5221 112.8673 60.3677 71.1229 173.4000 70 R 4.4396 8.0240 129.3931 54.3143 27.8694 175.9249 71 R 4.1082 8.2052 120.0115 57.8447 33.9956 179.6903 72 N 3.6877 8.4296 115.9114 56.2273 39.6441 176.5766 *78 Q 4.3797 7.3306 119.6026 55.0245 29.4213 180.1328 79 E 4.3897 8.7052 117.7795 57.2784 30.0668 174.2773 80 W 4.8351 8.7941 125.2450 54.2897 30.8368 176.0038 81 K 4.8451 8.7703 123.5542 54.2105 35.2468 175.6554 82 E 4.0601 9.0093 124.3559 55.7479 30.6717 176.7261 83 C 3.8740 8.2474 124.6518 56.7135 43.2539 172.4749 84 P 3.9454 0.0000 0.0000 64.7902 31.5960 175.9652 85 D 4.2659 7.0449 118.9734 53.8085 42.4343 174.4788 86 Y 4.9063 8.8161 123.7277 57.5677 38.9241 176.6130 87 V 4.2228 7.8293 119.2855 63.0051 33.3404 177.9142 88 S 3.7968 9.1008 116.3848 61.0118 62.6377 175.0915 89 A 4.4146 7.9674 119.8294 51.6446 19.1797 178.0354 90 G 3.7825 7.8085 105.3030 45.1811 0.0000 173.4745 91 E 3.9112 8.4009 118.8870 57.5667 30.8387 176.4819 92 N 3.5774 8.5694 118.5544 53.5884 36.0615 172.9726 93 S 4.4437 6.4902 110.9907 56.8447 67.6674 175.0039 94 C 5.1202 9.0297 120.2526 55.0327 46.8583 171.7749 95 Y 4.8398 8.5601 127.3990 55.6547 40.8913 174.5963 96 F 3.7684 7.7637 125.5364 54.8255 41.4332 175.3831 97 N 4.8238 8.3316 121.8829 52.0234 38.1078 175.7579 98 S 5.2224 8.8526 111.3062 59.7278 62.9166 176.0054 99 S 4.2396 9.1207 116.2895 60.4264 63.0149 174.9268 100 F 4.5221 8.3431 118.9568 58.2496 38.8615 175.7982 101 T 4.8342 7.6433 111.9141 61.4336 69.1660 176.9077 102 S 4.1148 8.5386 118.6871 62.2138 63.0435 174.2747 103 I 4.5392 7.2426 116.6972 57.8417 40.8582 174.1132 104 W 4.2101 8.8863 132.9400 57.6008 30.5195 175.4958 105 I 3.1373 8.1287 120.1449 63.1877 35.6665 175.1805 106 P 3.1903 0.0000 0.0000 62.9259 29.1032 172.6101 107 Y 4.7859 7.8105 125.7412 56.5317 41.8679 173.3152 108 C 5.2772 8.1682 115.5549 56.0202 45.6596 173.6142 109 I 5.9334 9.4849 115.9285 59.4723 41.6106 174.0908 110 K 5.4395 9.3243 121.5408 55.5159 36.1972 175.4426 111 L 4.4400 9.1027 123.7729 54.7605 43.2678 175.9900 112 T 4.9831 9.0236 118.6934 61.8144 72.6589 172.8494 113 S 4.8299 8.6542 121.0237 57.8609 63.8926 173.0532 114 N 4.7707 10.0253 130.9129 52.5609 39.1017 175.2374 115 G 4.5821 7.3368 112.7496 45.7473 0.0000 172.7345 116 G 3.8876 7.0803 110.6819 44.0757 0.0000 173.7876 117 T 4.2511 8.1886 120.2982 64.1883 68.9356 174.0957 118 V 4.4162 7.8833 121.1028 62.3243 33.6844 174.6097 119 D 4.6902 7.5874 116.6248 53.9968 44.1560 174.0313 120 E 5.5947 8.8156 121.0837 55.3550 33.4336 174.0993 121 K 4.5788 8.8370 118.4425 55.9485 36.1706 173.2887 122 C 5.3973 8.5309 123.6020 55.2576 42.4041 172.8756 123 F 4.9152 7.7798 115.5433 56.8742 41.2500 172.7950 124 S 4.8425 8.9926 114.4857 55.8634 65.0394 175.7561 125 V 3.5203 7.9635 120.4093 64.5658 31.5457 178.3671 126 D 4.3950 7.9639 120.8635 57.4433 40.7196 178.4633 127 E 4.0263 7.8281 115.8671 58.3948 29.8044 177.5148 128 I 4.2772 7.2036 110.3782 60.1187 38.9674 175.7883 129 V 3.9624 7.2737 123.7360 64.1017 31.8631 176.5095 130 Q 4.5634 9.3167 128.4059 54.1205 30.5178 171.8363 131 P 4.5047 0.0000 0.0000 62.3088 32.4399 175.4787 132 D 4.8054 8.3219 119.9476 52.9797 41.7338 174.8007 133 P 4.5979 0.0000 0.0000 62.2010 32.3897 173.8800 134 P 4.9552 0.0000 0.0000 62.3276 32.5962 175.2075 135 I 4.6658 8.4416 113.5439 58.9788 41.3428 174.4369 136 A 3.8473 8.3720 121.6107 53.2774 15.3798 177.7140 137 L 4.8534 7.8241 120.8643 55.2606 42.8305 178.1492 138 N 5.4371 9.6865 120.6695 51.5692 43.4958 173.1520 139 W 6.2090 8.4618 115.0192 56.6816 30.9640 173.8762 140 T 4.3448 8.5571 112.2586 59.4351 71.9993 172.5793 141 L 4.6705 8.3283 124.6340 55.3359 42.4752 176.0708 142 L 4.6588 8.7564 124.8288 56.0135 44.0362 176.1611 143 N 4.4619 7.4781 113.6423 52.9843 42.2280 173.3537 144 V 4.9824 8.3724 122.8238 60.7173 34.3545 175.4086 145 S 4.3902 8.9277 122.0577 58.0525 63.8223 175.0946 146 L 3.9341 8.7352 120.9116 58.1241 41.4640 178.6820 147 T 4.1288 7.9892 106.3608 61.2800 69.3313 176.4488 148 G 4.0386 8.2942 110.2259 46.1429 0.0000 174.9444 149 I 3.8998 7.5489 121.3296 63.9030 38.1552 175.8056 150 H 5.6604 8.4043 117.3926 54.1494 32.4251 173.2212 151 A 5.1522 8.9250 120.2195 50.8761 23.2271 174.7952 152 D 5.4790 9.2569 119.9593 52.5377 44.1968 175.6392 153 I 5.0837 8.4962 115.3851 59.1128 42.1510 173.6445 154 Q 4.7504 8.7307 121.5943 54.4949 31.9605 173.8680 155 V 4.9285 8.7230 127.6416 61.9293 33.2905 174.9191 156 R 4.8833 9.3863 124.0989 54.4345 33.0732 173.9141 157 W 5.3951 7.7035 115.9887 56.7656 31.6507 173.0939 158 E 4.7883 9.5599 119.8137 54.3464 31.3726 176.0204 159 A 4.7661 8.6639 125.2866 51.0100 19.2098 175.4944 160 P 4.3852 0.0000 0.0000 63.4059 31.7868 177.5979 161 R 4.1836 8.9641 120.7823 58.2908 30.1979 176.5718 162 N 4.9575 7.5872 114.2479 52.3573 37.9840 174.7072 163 A 4.4840 7.5602 119.2491 51.7547 22.4203 176.6356 *170 M 4.1224 8.3785 119.1624 55.3412 32.1841 174.4971 171 V 4.2660 7.8934 125.7590 60.2721 33.5319 175.2230 172 L 4.9355 8.4477 124.8583 53.5144 42.8664 175.7053 173 E 4.7333 8.6902 119.5609 54.8131 32.9730 174.2936 174 Y 4.8445 9.5031 120.2833 56.4125 41.4186 174.3768 175 E 4.9617 8.7830 123.0481 54.4811 32.1574 174.5705 176 L 4.7349 8.5269 129.5254 54.5221 44.1038 175.2350 177 Q 5.3282 9.0084 123.6090 54.7371 33.2472 173.6567 178 Y 6.0819 8.8017 119.0261 57.1699 42.2167 173.1018 179 K 4.3472 8.2747 117.0214 55.8318 35.4474 173.6859 180 E 3.5642 8.1892 122.0689 56.4029 30.1735 177.6327 181 V 3.3367 8.1915 129.5262 66.8958 31.5843 177.9057 182 N 4.3512 7.9995 115.6651 54.2155 37.4914 176.9887 183 E 4.4204 7.5056 116.0809 56.6685 31.2403 181.9040 184 T 4.4619 8.1944 107.6628 62.0249 70.9234 171.6423 185 K 4.6666 7.6851 120.2519 53.2740 33.8679 180.8400 186 W 4.7984 8.5088 121.9989 54.6860 30.5743 176.4308 187 K 4.2192 9.1882 125.5150 56.5004 32.7696 176.0139 188 M 5.2959 8.5398 122.0386 53.9493 35.4074 174.7101 189 M 4.9020 8.4083 120.7613 53.2916 35.2691 175.6036 190 D 4.6730 8.6543 119.9149 53.7381 41.8522 174.8658 191 P 4.8012 0.0000 0.0000 63.1615 32.0434 175.5689 192 I 4.7343 9.2663 123.6831 59.4183 41.0551 176.1007 193 L 4.0818 8.7676 126.3337 56.7901 42.3662 177.8826 194 T 4.2266 7.8117 108.4981 61.6593 69.6050 173.9737 195 T 3.7236 7.9980 111.4732 61.1854 69.1326 173.9328 196 S 4.0391 6.5054 115.1323 58.2830 66.4992 173.8133 197 V 4.3905 8.1320 116.6472 60.2518 34.5874 170.5006 198 P 4.6829 0.0000 0.0000 62.3380 32.7311 175.5211 199 V 3.9713 8.2698 122.4290 61.3700 33.6598 173.9939 200 Y 5.0169 8.3328 125.3924 56.9233 39.6297 175.6180 201 S 3.6590 9.1482 116.4622 59.7245 61.0345 172.7300 202 L 4.3401 8.0089 120.4399 53.9245 43.8507 178.2179 203 K 4.5465 8.8419 122.3037 56.1293 32.6059 178.3111 204 V 3.7220 8.7708 126.1430 66.1728 31.5782 176.8479 205 D 4.4757 8.4060 117.9408 55.5829 40.4857 175.4135 206 K 4.5041 7.8663 117.4341 54.7715 35.1858 173.9999 207 E 4.8702 8.1592 121.2737 55.0642 31.3404 174.4107 208 Y 5.1424 9.9139 124.7326 56.3678 41.6933 174.2838 209 E 5.1167 8.7995 120.0010 54.6511 32.8388 175.4556 210 V 5.2530 8.9907 123.8575 61.3084 35.3066 174.4124 211 R 4.7674 8.6502 121.7171 54.9418 33.1506 173.7988 212 V 4.8511 8.7150 122.4480 60.9319 34.7273 174.2670 213 R 4.8727 8.5477 123.0313 54.5278 32.5197 175.1225 214 S 4.8511 8.4127 116.2969 57.8027 65.3013 172.9705 215 K 4.7484 7.9685 122.6371 54.8036 35.6081 174.8679 216 Q 4.2617 8.1189 128.0754 56.2543 30.1587 176.0990 217 R 4.1381 8.2876 127.2459 58.0839 29.7029 175.0938 218 N 4.3282 8.7230 118.7023 51.6751 35.7190 174.1479 219 S 4.0628 8.5276 118.1954 59.7585 62.5076 174.5290 220 G 4.0975 7.9404 114.9592 44.1338 0.0000 171.1143 221 N 4.6378 8.3557 120.8240 52.8320 40.9414 173.5074 222 Y 4.6382 8.4090 119.8339 57.2377 39.9161 175.0810 223 G 4.6025 7.9348 108.4188 43.5797 0.0000 173.0909 224 E 4.1045 8.5790 118.5782 56.3205 30.0312 176.8672 225 F 4.6117 8.1470 119.4121 57.1315 40.2362 175.7780 226 S 4.5655 8.3964 116.6580 57.5433 64.6294 173.4006 227 E 4.1579 8.5580 119.4916 56.1536 29.6962 177.7045 228 V 3.7604 8.4120 124.2951 63.0545 32.5818 174.5605 229 L 4.6761 8.8764 129.5842 53.5326 44.3414 174.3622 230 Y 4.9718 8.5674 123.5205 56.5748 39.4819 175.1495 231 V 4.0655 9.5551 125.0612 61.2495 34.0808 174.1836 232 T 4.7965 8.5983 118.8367 59.7951 70.5018 174.3900 233 L 4.3485 7.9877 126.2451 54.8840 41.7451 176.7143 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 *29 S 8.43 4.45 0.00 3.65 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 *30 S 8.20 4.53 0.00 3.65 3.64 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 0.00 0.00 0.00 0.00 *31 K 7.47 4.20 0.00 1.84 1.92 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.17 0.82 7.81 32 E 8.44 4.97 0.00 1.89 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 2.16 2.33 0.00 33 P 0.00 4.73 0.00 2.06 2.11 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 34 K 8.75 4.76 0.00 1.71 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.58 7.81 35 F 10.19 4.99 0.00 2.96 3.06 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 36 T 9.60 4.57 4.31 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 1.31 0.00 0.00 37 K 7.86 4.70 0.00 1.83 1.63 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.46 7.81 38 C 8.54 5.44 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 9.12 4.81 0.00 1.79 1.72 0.00 3.02 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 40 S 8.83 5.29 0.00 3.96 3.64 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 0.00 0.00 0.00 0.00 41 P 0.00 4.70 0.00 2.26 2.20 0.00 4.15 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 2.05 2.03 0.00 42 E 7.93 4.51 0.00 2.07 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 2.22 2.29 0.00 43 R 8.51 3.96 0.00 1.97 2.07 0.00 3.39 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 44 E 9.71 4.87 0.00 2.09 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 2.26 2.10 0.00 45 T 7.98 5.24 4.17 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 1.36 0.00 0.00 46 F 7.82 5.01 0.00 3.04 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 47 S 8.98 5.11 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 9.42 5.61 0.00 3.21 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 9.86 5.48 0.00 3.00 3.06 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.06 5.68 0.00 3.31 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.47 4.61 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 1.33 0.00 0.00 52 D 8.68 4.75 0.00 2.62 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 53 E 8.93 4.46 0.00 1.66 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 2.28 1.88 0.00 54 V 8.21 4.64 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 0.85 0.00 0.00 0.93 0.00 0.00 *60 N 8.74 4.64 0.00 2.76 2.68 0.00 0.00 6.41 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 61 L 8.15 4.58 0.00 1.45 1.56 0.92 0.91 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 62 G 8.51 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 0.00 0.00 0.00 63 P 0.00 4.82 0.00 2.10 2.20 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 64 I 7.28 4.95 1.91 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 1.36 0.96 0.77 0.00 0.00 65 Q 8.88 4.71 0.00 2.10 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 66 L 8.76 5.19 0.00 1.45 1.44 1.22 1.27 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 67 F 9.29 5.61 0.00 3.12 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.54 5.78 0.00 3.07 3.28 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 69 T 8.52 4.43 2.79 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 0.25 0.00 0.00 70 R 8.02 4.44 0.00 1.60 1.63 0.00 3.31 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 71 R 8.21 4.11 0.00 1.53 1.63 0.00 3.27 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 72 N 8.43 3.69 0.00 2.81 3.09 0.00 0.00 6.55 7.46 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 *78 Q 7.33 4.38 0.00 2.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.91 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 79 E 8.71 4.39 0.00 1.75 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 2.22 1.91 0.00 80 W 8.79 4.84 0.00 3.09 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 81 K 8.77 4.85 0.00 1.04 1.69 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.22 7.81 82 E 9.01 4.06 0.00 1.91 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 0.00 2.11 1.93 0.00 83 C 8.25 3.87 0.00 2.57 1.68 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 84 P 0.00 3.95 0.00 2.09 2.16 0.00 2.66 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 0.00 85 D 7.04 4.27 0.00 2.57 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 86 Y 8.82 4.91 0.00 3.02 2.91 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0.00 1.20 1.21 0.32 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 112 T 9.02 4.98 4.60 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 1.35 0.00 0.00 113 S 8.65 4.83 0.00 3.81 3.67 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 0.00 114 N 10.03 4.77 0.00 3.03 2.96 0.00 0.00 7.06 8.46 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 0.00 115 G 7.34 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.08 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 0.00 117 T 8.19 4.25 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 1.13 0.00 0.00 118 V 7.88 4.42 1.92 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 0.70 0.00 0.00 0.89 0.00 0.00 119 D 7.59 4.69 0.00 2.50 1.95 0.00 0.00 0.00 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0.00 0.00 0.00 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 I 8.50 5.08 2.22 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.19 0.94 0.00 0.00 154 Q 8.73 4.75 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 155 V 8.72 4.93 2.28 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 1.23 0.00 0.00 0.93 0.00 0.00 156 R 9.39 4.88 0.00 1.57 1.72 0.00 2.96 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 157 W 7.70 5.40 0.00 3.33 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 0.00 158 E 9.56 4.79 0.00 1.98 1.92 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 2.25 2.48 0.00 159 A 8.66 4.77 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.39 0.00 2.37 2.59 0.00 4.00 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 161 R 8.96 4.18 0.00 1.85 2.06 0.00 3.38 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 162 N 7.59 4.96 0.00 2.88 2.93 0.00 0.00 6.62 7.14 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 0.00 163 A 7.56 4.48 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *170 M 8.38 4.12 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 171 V 7.89 4.27 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 0.76 0.00 0.00 0.94 0.00 0.00 172 L 8.45 4.94 0.00 1.22 1.13 0.94 0.79 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 0.00 173 E 8.69 4.73 0.00 2.09 1.96 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 2.18 2.17 0.00 174 Y 9.50 4.84 0.00 3.10 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 0.00 175 E 8.78 4.96 0.00 2.26 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 176 L 8.53 4.73 0.00 1.77 1.59 1.03 0.69 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 0.00 177 Q 9.01 5.33 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.34 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 178 Y 8.80 6.08 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.27 4.35 0.00 1.49 1.45 0.00 0.69 0.00 0.00 0.61 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.68 7.81 180 E 8.19 3.56 0.00 1.86 1.66 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 2.21 2.30 0.00 181 V 8.19 3.34 1.96 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 0.71 0.00 0.00 0.99 0.00 0.00 182 N 8.00 4.35 0.00 2.78 2.71 0.00 0.00 6.50 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 0.00 183 E 7.51 4.42 0.00 2.00 1.79 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 2.22 2.11 0.00 184 T 8.19 4.46 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 0.00 185 K 7.69 4.67 0.00 1.75 1.59 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.00 7.81 186 W 8.51 4.80 0.00 3.04 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 0.00 187 K 9.19 4.22 0.00 0.79 1.37 0.00 1.04 0.00 0.00 1.49 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 1.07 7.81 188 M 8.54 5.30 0.00 2.05 1.95 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 2.71 2.54 0.00 189 M 8.41 4.90 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.68 0.00 190 D 8.65 4.67 0.00 2.64 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 0.00 191 P 0.00 4.80 0.00 2.09 2.06 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 192 I 9.27 4.73 2.04 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 1.36 1.59 1.42 0.00 0.00 193 L 8.77 4.08 0.00 1.75 1.78 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 194 T 7.81 4.23 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 1.22 0.00 0.00 195 T 8.00 3.72 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 1.14 0.00 0.00 196 S 6.51 4.04 0.00 3.59 3.39 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 0.00 197 V 8.13 4.39 2.31 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 0.88 0.00 0.00 1.00 0.00 0.00 198 P 0.00 4.68 0.00 1.24 1.90 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 199 V 8.27 3.97 1.71 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 0.28 0.00 0.00 0.66 0.00 0.00 200 Y 8.33 5.02 0.00 2.90 2.82 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 0.00 201 S 9.15 3.66 0.00 3.95 3.73 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 0.00 202 L 8.01 4.34 0.00 1.36 1.06 0.29 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 203 K 8.84 4.55 0.00 1.94 1.81 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.58 7.81 204 V 8.77 3.72 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 0.73 0.00 0.00 1.08 0.00 0.00 205 D 8.41 4.48 0.00 2.66 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 0.00 206 K 7.87 4.50 0.00 1.28 1.55 0.00 1.82 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.42 7.81 207 E 8.16 4.87 0.00 1.98 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 208 Y 9.91 5.14 0.00 2.97 2.81 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 0.00 209 E 8.80 5.12 0.00 1.77 1.88 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 2.29 2.35 0.00 210 V 8.99 5.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.88 0.00 0.00 211 R 8.65 4.77 0.00 1.30 1.55 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.14 0.00 212 V 8.72 4.85 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.39 0.00 0.00 213 R 8.55 4.87 0.00 1.56 1.06 0.00 2.47 0.00 0.00 2.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 214 S 8.41 4.85 0.00 3.87 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 0.00 215 K 7.97 4.75 0.00 0.99 1.47 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.77 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.02 0.83 7.81 216 Q 8.12 4.26 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 217 R 8.29 4.14 0.00 1.62 1.72 0.00 3.31 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.34 0.00 218 N 8.72 4.33 0.00 2.82 2.94 0.00 0.00 6.98 7.57 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 0.00 219 S 8.53 4.06 0.00 3.78 3.76 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 0.00 220 G 7.94 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 0.00 221 N 8.36 4.64 0.00 2.74 2.72 0.00 0.00 7.09 7.56 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 0.00 222 Y 8.41 4.64 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 G 7.93 4.60 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 0.00 224 E 8.58 4.10 0.00 1.92 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 2.26 2.25 0.00 225 F 8.15 4.61 0.00 2.84 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 0.00 226 S 8.40 4.57 0.00 3.95 3.97 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 0.00 227 E 8.56 4.16 0.00 1.89 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 2.33 2.33 0.00 228 V 8.41 3.76 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 0.22 0.00 0.00 0.88 0.00 0.00 229 L 8.88 4.68 0.00 1.65 1.44 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 230 Y 8.57 4.97 0.00 3.02 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 0.00 231 V 9.56 4.07 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 -0.36 0.00 0.00 0.46 0.00 0.00 232 T 8.60 4.80 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 1.35 0.00 0.00 233 L 7.99 4.35 0.00 2.08 1.69 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.