NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.3407 8.3649 120.5051 53.2076 43.2847 175.0635 4 F 4.9546 7.6054 117.1385 56.3355 41.1771 173.6595 5 S 4.2600 8.9259 116.4589 58.9927 63.4354 173.0744 6 L 4.7773 7.9343 123.5513 53.0169 45.5701 175.8081 7 E 4.3497 8.5777 120.3494 55.5766 29.7806 176.1817 8 L 4.8371 8.0164 122.6785 51.6932 45.8376 174.6704 9 P 4.2732 0.0000 0.0000 62.8303 31.7741 176.6441 10 V 3.7875 8.2624 121.9426 62.7632 32.1033 175.4767 11 R 4.7399 8.2590 125.6787 54.2694 32.7165 175.9367 12 T 4.2063 8.2587 110.4602 61.6213 69.7404 173.5139 13 N 5.0638 8.1806 119.4172 50.9630 41.5191 174.8652 14 K 4.2453 8.2831 119.5996 55.6993 32.7404 175.3521 15 P 4.4070 0.0000 0.0000 62.3365 32.0949 175.9424 16 R 4.2830 8.4942 122.2472 55.7171 30.6906 176.1189 17 E 4.5398 8.7429 121.3888 56.8404 30.7372 175.3994 18 T 4.5940 7.3558 111.5228 61.3454 70.4816 172.3435 19 G 4.2336 8.6526 110.2900 46.5385 0.0000 173.9970 20 Q 4.6623 7.8957 117.4075 55.3687 30.9601 175.3822 21 S 5.0017 9.4792 117.8421 56.9811 66.5230 173.1169 22 I 4.8120 9.0101 126.8707 59.7097 38.9171 175.2153 23 L 4.9786 8.7309 127.8403 53.8481 43.6018 175.6007 24 I 4.8239 8.5518 122.2253 59.4110 40.1769 174.2246 25 D 4.7885 9.2697 130.2463 52.6043 42.3410 175.7629 26 N 4.1672 7.9031 123.0929 52.7016 37.6377 175.0256 27 G 4.0935 8.3024 108.2883 46.5467 0.0000 174.5989 28 Y 4.3317 7.9398 116.8492 56.5586 38.9273 175.2884 29 P 4.4971 0.0000 0.0000 62.4121 33.4295 176.9327 30 L 3.9613 8.6228 121.4812 58.9910 41.8665 179.5376 31 Q 4.0718 8.1649 117.0123 59.0173 28.6865 178.5645 32 F 4.1593 8.3452 121.2082 61.0299 39.5001 176.6372 33 F 4.0260 8.5831 120.3702 61.4090 39.1526 177.2736 34 K 4.0194 8.6327 118.3301 59.4518 31.8442 178.8261 35 D 4.1839 8.2483 118.1439 57.2522 40.8565 178.2203 36 A 3.6567 7.7778 121.5544 55.0742 18.3993 179.7029 37 I 3.2787 7.4353 118.0946 64.2285 36.8685 178.5362 38 A 3.8559 7.7891 120.9112 55.0747 18.3147 179.7250 39 G 3.6837 7.8330 102.4594 46.7222 0.0000 174.3315 40 A 4.6766 7.3971 121.7839 51.5914 20.7097 177.5129 41 S 3.9295 7.9416 116.1319 62.7604 62.7609 176.7992 42 D 4.1320 7.6569 119.0150 56.4809 40.4994 176.6048 43 Y 4.7555 7.4493 114.5093 57.4313 38.2318 175.0645 44 I 4.4489 7.5560 121.6470 59.7197 39.3859 174.7910 45 D 4.7366 8.7158 124.5601 55.2000 43.1980 176.5381 46 F 5.3415 8.0304 114.7237 55.7266 44.3315 174.0989 47 V 4.6737 8.7913 120.4993 61.1536 34.6886 173.9171 48 K 3.8722 8.9774 130.0643 54.6450 34.0224 175.3435 49 F 4.7267 8.6207 127.3402 56.3273 39.5170 175.0119 50 G 3.4107 8.7884 111.6458 46.9706 0.0000 172.3253 51 W 4.0509 8.9235 118.2553 57.0128 31.1910 175.5426 52 G 4.1312 9.2139 109.1204 45.5506 0.0000 175.0257 53 T 3.7695 7.6969 114.6256 64.5100 68.4103 176.2947 54 S 3.9077 8.0168 116.5137 61.3567 62.5587 176.4361 55 L 4.0651 7.5868 121.1514 56.7226 41.3296 178.3510 56 L 4.7381 7.3968 116.3753 53.6972 41.9715 176.4088 57 T 4.2685 7.1445 117.1384 61.9027 68.1207 175.1295 58 K 4.1290 8.5430 127.1684 58.5788 32.5884 178.3796 59 D 5.0182 7.6586 118.3558 53.6426 42.0488 178.1136 60 L 3.4675 7.7638 122.9760 58.2214 41.9558 177.5888 61 E 3.9208 8.1625 118.4892 59.6548 29.5104 178.6270 62 E 3.9671 8.0259 117.8411 59.1019 29.5534 179.3144 63 K 3.7444 7.8640 118.5616 59.4896 32.0302 179.4120 64 I 3.4858 7.7168 120.2237 64.3023 36.9386 178.4319 65 S 4.0908 8.1867 113.9982 61.7757 61.7250 176.3844 66 T 4.0171 8.1909 118.4513 66.4862 68.1697 176.7747 67 L 4.0782 8.1553 120.9624 57.8738 41.7654 179.5767 68 K 4.0179 8.2781 118.5091 59.5901 31.7855 179.0225 69 E 4.0461 8.2501 118.3363 58.4886 29.4569 177.5581 70 H 4.6883 7.4311 113.7652 54.3593 30.6651 174.2686 71 D 4.3760 7.8491 118.0614 55.8342 38.4826 174.0640 72 I 4.6279 7.8550 117.2951 59.8022 40.8949 177.6748 73 T 4.4541 8.2465 123.5350 63.0293 69.9222 173.6814 74 F 5.7965 8.0992 117.5906 54.6291 41.5680 173.2208 75 F 4.5796 7.9996 112.2272 56.2909 40.6487 172.6419 76 F 5.3872 8.6178 118.2967 55.9847 41.2237 175.8110 77 G 4.1484 9.0944 109.5240 46.8255 0.0000 175.0095 78 G 4.1336 9.2279 109.8725 47.0511 0.0000 176.2098 79 T 4.0303 8.1229 117.6545 66.2248 68.4452 176.3001 80 L 4.0100 8.1848 122.7907 57.9675 42.1894 178.5769 81 F 2.7433 8.1251 120.0774 61.1147 39.1947 176.7686 82 E 3.3542 8.0974 117.9637 58.8723 29.1906 179.3081 83 K 3.7444 8.0075 119.8629 59.8198 32.2959 178.5723 84 Y 3.9031 7.7591 116.9245 60.7766 37.6211 178.6738 85 V 3.4337 7.4036 119.5841 65.8491 31.3590 178.2231 86 S 4.0854 8.0680 113.0982 60.5501 62.5696 174.9925 87 Q 4.4682 7.0800 118.1942 54.7107 28.9186 175.3805 88 K 3.9618 7.9906 115.6779 58.0541 30.3542 175.3506 89 K 4.8028 8.3815 113.6012 55.4272 33.5585 179.3327 90 V 3.8509 8.3440 120.4238 66.6137 31.2976 176.4161 91 N 4.5955 8.3568 115.6035 56.1989 38.3305 177.1089 92 E 4.0113 8.3912 120.3543 59.1767 29.4779 178.9456 93 F 3.5299 8.0085 120.2379 61.2954 39.4656 176.3554 94 H 4.3455 8.7205 117.8159 59.7411 29.7430 177.5456 95 R 4.0402 8.4677 119.8552 59.0242 29.8331 178.6261 96 Y 4.0901 8.2329 120.1063 61.0287 38.7811 177.6143 97 C 4.5004 8.2851 117.9167 63.1439 28.1485 176.3195 98 T 4.1522 8.3997 117.5674 66.6260 67.8345 176.0936 99 Y 3.9872 7.9969 120.6577 60.7446 38.8972 177.7156 100 F 4.2972 7.7540 114.2788 56.8993 39.2937 175.4180 101 G 3.9793 8.1443 106.5983 46.7271 0.0000 174.3872 102 C 3.9968 8.6301 117.3313 59.5957 28.9784 173.5039 103 E 4.5212 8.5890 123.6233 57.1881 31.3156 174.9237 104 Y 5.8035 8.1021 114.4993 55.5548 41.3774 175.2146 105 I 4.6420 7.9438 112.7256 59.7796 41.1531 172.7935 106 E 5.0451 8.2320 125.2381 54.6207 31.7399 175.0667 107 I 4.0945 8.3341 126.9027 59.3282 40.4593 174.8157 108 S 5.0730 8.5167 120.0970 56.6247 67.2297 173.3031 109 N 5.1581 8.3045 115.5883 52.3915 37.3677 175.8666 110 G 3.7960 8.5090 109.0429 48.5145 0.0000 175.2654 111 T 4.1499 8.1128 113.1353 64.9130 70.7297 174.1884 112 L 4.0189 8.6711 123.2010 53.7682 42.3803 174.9036 113 P 4.1730 0.0000 0.0000 63.1915 31.8737 176.3192 *115 T 4.0660 8.1655 111.4814 61.3932 71.1150 174.4998 116 N 4.0699 8.1493 119.7320 56.5852 38.9887 177.2329 117 K 4.1485 7.8789 120.8489 59.0483 32.0195 178.9348 118 E 4.0101 8.2256 118.7517 59.1854 29.3393 179.3232 119 K 4.2184 8.2909 119.6361 59.5681 32.1898 178.7343 120 A 4.0376 8.6782 121.2988 55.0853 18.2644 179.4525 121 A 3.8995 7.9086 119.1239 55.5282 18.3756 179.5166 122 Y 4.3513 7.8007 115.2856 61.0604 37.9742 178.4514 123 I 3.7537 7.9357 120.7482 64.3681 37.0415 178.1712 124 A 4.2585 7.9517 121.6534 54.8373 18.2948 179.0559 125 D 4.3640 8.0148 116.0174 57.4275 41.1145 178.5815 126 F 4.6275 8.4530 117.6048 59.1077 39.0086 178.0090 127 S 4.4991 8.4513 112.4190 60.0820 62.7997 174.6900 128 D 4.7092 8.0142 118.6561 53.5508 39.6512 176.4429 129 E 4.3947 7.9342 116.9548 56.0754 32.1019 175.1628 130 F 4.9892 8.3569 116.0544 55.5282 44.3016 173.7738 131 L 4.2701 8.6555 121.3930 54.0355 42.8141 176.0146 132 V 4.6315 8.3127 124.0936 61.3440 33.8915 174.1532 133 L 5.1055 8.5578 127.9847 53.0932 43.7070 175.9440 134 S 5.1552 8.3814 118.5049 56.6315 66.1491 172.5593 135 E 4.9524 8.4176 121.2242 54.3851 31.9871 174.9436 136 V 3.8951 9.6915 127.3612 60.7768 32.6652 174.6643 137 G 4.2842 7.4960 112.6368 43.1730 0.0000 171.7243 138 S 4.8873 8.4108 113.8573 56.2268 65.2802 174.2807 139 K 4.5767 8.9501 124.0654 56.9186 33.3411 176.7609 140 D 4.6455 8.0900 118.5713 54.5981 42.1530 177.8627 *147 Q 4.5256 8.7592 122.9934 56.5288 30.1063 178.6147 148 S 4.9834 8.8958 109.7464 56.3626 66.0205 171.7495 149 S 4.8754 8.2040 123.6383 58.4761 61.5671 175.0567 150 E 4.7269 8.8977 118.8780 56.5084 29.0853 176.9020 151 E 3.8844 7.7113 121.4537 58.1460 29.2830 178.7363 152 W 4.1889 7.7455 129.0000 60.7706 30.7807 177.7301 153 L 4.0895 7.9864 118.3040 57.8912 40.9616 179.5337 154 E 3.9523 7.8433 117.9492 59.6873 29.4482 178.8258 155 Y 4.4081 7.9847 117.1539 61.0173 37.6074 178.7832 156 I 3.6454 7.6775 119.9905 64.3550 37.3527 178.2405 157 V 3.7256 7.5909 117.5234 65.9385 31.1399 177.1054 158 E 4.1690 8.5412 119.3770 59.4958 29.4701 179.5499 159 D 4.3653 8.2511 115.8295 55.2596 40.5205 178.0834 *161 E 4.2484 8.1732 120.9232 56.4168 31.2678 177.2158 162 A 4.0513 7.8763 121.0252 53.0638 18.6356 178.3381 163 G 4.0986 8.3794 104.2280 45.3400 0.0000 173.6322 164 A 4.1852 7.8322 123.6051 51.5242 18.7633 177.8228 165 E 4.1908 9.1163 126.0092 59.1401 30.1328 177.1599 166 K 4.7766 7.8171 116.2071 54.9363 37.3314 174.8830 167 V 4.6079 8.4627 122.0602 61.2551 34.0413 174.3145 168 I 4.5511 8.8692 129.2672 60.4595 39.1129 174.9091 169 T 5.0113 8.6226 120.5758 60.9838 71.6216 171.6401 170 E 5.0751 9.0229 121.6066 54.5501 32.8166 176.9783 *189 Q 4.0494 8.4168 118.4127 56.4709 28.7853 174.6384 190 I 4.1074 7.6765 126.1424 63.2191 38.9771 176.6497 191 V 3.7142 7.9184 119.6572 64.5274 30.5576 177.8211 192 D 4.3599 8.0089 117.8226 57.6418 41.5100 177.3441 193 D 4.5215 8.1578 119.4057 57.4371 40.5762 178.8125 194 I 3.7772 7.7513 118.9487 64.5082 37.5373 178.0625 195 I 3.9586 7.9118 120.6935 63.9175 37.8663 177.4008 196 S 4.8046 7.6437 116.3182 58.1222 59.5828 174.5595 197 S 4.6575 7.2793 112.2934 57.9851 63.4222 175.2521 198 D 4.7366 8.4589 117.4233 55.3366 38.5478 174.7119 199 I 4.1344 7.0466 120.0031 59.7575 38.2220 175.1989 200 D 4.3750 8.6601 124.9361 54.3911 41.5250 176.8374 201 I 3.9183 8.4671 127.0182 63.8020 38.3160 176.9383 202 N 4.5830 8.4575 116.3676 54.8995 38.5975 175.5648 203 R 4.2324 7.9094 118.1154 56.5641 30.6414 175.1931 204 L 5.0225 7.3612 116.5701 53.6743 44.3592 175.9138 205 I 4.5153 7.9753 121.4204 59.5168 40.9557 174.3229 206 F 5.0015 8.7603 125.7806 55.3221 41.2911 174.9810 207 E 4.5200 8.8431 123.8048 56.3309 29.8092 177.7793 208 A 5.0585 9.1202 126.4592 49.8922 18.8645 174.8336 209 P 4.9151 0.0000 0.0000 62.9675 32.2996 176.6108 210 N 5.1005 7.8937 114.9574 50.1071 40.8331 175.1985 211 K 3.8849 8.8799 119.0743 60.0838 32.0848 178.5740 212 T 3.8507 7.9903 115.2530 66.7852 68.4360 176.3754 213 L 3.8328 8.4866 120.8191 57.7410 41.6909 179.4656 214 Q 4.2051 8.3020 118.2587 59.2157 28.6622 179.1313 215 Q 4.1481 8.5904 119.1113 59.1112 28.5813 178.7289 216 G 3.4196 7.9548 107.5686 47.6620 0.0000 175.7306 217 F 4.2620 7.9913 120.6941 60.2104 38.8912 177.9099 218 I 3.9562 8.0452 119.5148 64.4759 36.6420 178.5582 219 Q 4.0254 8.1883 118.4080 58.8521 28.6135 178.5916 220 K 4.1390 8.0457 118.4900 58.9420 32.2923 178.6652 221 I 4.2514 8.4124 118.6611 62.2870 38.3093 174.9810 222 G 4.0667 7.7468 104.5524 42.3589 0.0000 172.7281 223 P 4.3273 0.0000 0.0000 65.0826 31.3870 176.5759 224 N 5.1989 7.9082 116.8093 52.7620 39.6450 175.1005 225 V 4.1240 7.5815 118.2565 61.8831 32.7445 175.0221 226 N 5.0401 8.7474 119.7453 52.4198 40.2574 174.0820 227 L 5.4072 9.0278 122.9761 52.9331 46.0949 175.3410 228 A 5.0684 8.5510 122.6724 49.9229 23.5031 175.3591 229 N 4.4311 8.7381 111.9538 54.4421 36.3706 174.5780 230 I 4.2038 7.8469 119.6504 60.1125 37.8726 174.5255 231 P 4.9153 0.0000 0.0000 62.3703 32.3297 177.1964 232 F 3.8744 9.4536 119.2062 61.1186 38.8802 177.0632 233 H 4.5709 8.3519 113.3471 57.2567 28.7422 175.2815 234 D 4.7533 8.2244 120.1706 54.1745 41.2132 177.6489 235 A 3.9149 7.8506 123.0331 55.7025 18.2671 180.3885 236 I 3.7428 7.6555 116.9136 64.2569 37.5458 178.1753 237 A 3.9690 7.9800 121.1594 55.1745 18.1681 179.2725 238 L 3.8899 8.5522 119.0193 58.3000 42.1847 178.8100 239 E 3.7948 7.5892 119.5969 59.3464 29.4138 178.9220 240 T 3.8358 7.6689 109.8200 64.4755 68.9193 176.7638 241 L 3.9524 7.6471 121.4479 57.7834 41.4631 179.6067 242 R 3.9820 7.8797 116.7786 58.7213 30.0605 178.1427 243 L 4.4114 7.6725 116.0357 53.7274 41.7280 176.9210 244 G 3.8721 7.6955 107.2239 46.4090 0.0000 174.9252 245 L 4.4252 8.3278 117.4263 53.8973 41.9925 176.5824 246 R 4.6740 7.3027 118.6865 54.0443 33.6071 175.4917 247 S 4.1294 9.0120 118.7441 61.8087 62.3353 176.3378 248 D 4.5125 8.2871 118.0265 57.0977 40.6940 177.3448 249 T 4.6861 7.9976 106.8568 61.0066 69.7338 175.2616 250 F 3.9404 7.9672 125.3935 61.0755 39.3374 175.4381 251 F 4.5788 8.0856 121.3877 57.6801 38.9221 175.5588 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 3 D 8.36 4.34 0.00 2.38 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 0.00 0.00 0.00 0.00 4 F 7.61 4.95 0.00 3.09 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 5 S 8.93 4.26 0.00 3.82 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 6 L 7.93 4.78 0.00 1.58 1.44 0.87 0.89 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 7 E 8.58 4.35 0.00 1.93 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 2.27 2.26 0.00 8 L 8.02 4.84 0.00 1.54 1.46 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.27 0.00 2.02 1.99 0.00 3.70 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 2.00 2.06 0.00 10 V 8.26 3.79 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 0.80 0.00 0.00 0.93 0.00 0.00 11 R 8.26 4.74 0.00 1.83 1.83 0.00 3.44 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 12 T 8.26 4.21 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 1.23 0.00 0.00 13 N 8.18 5.06 0.00 2.71 2.75 0.00 0.00 6.99 7.61 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 14 K 8.28 4.25 0.00 1.71 1.70 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.38 7.81 15 P 0.00 4.41 0.00 2.17 2.03 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 16 R 8.49 4.28 0.00 1.87 2.16 0.00 3.57 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 17 E 8.74 4.54 0.00 1.97 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 0.00 2.28 2.25 0.00 18 T 7.36 4.59 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 19 G 8.65 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 0.00 0.00 0.00 0.00 20 Q 7.90 4.66 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 6.79 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 21 S 9.48 5.00 0.00 3.86 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 22 I 9.01 4.81 1.89 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.76 1.05 0.00 0.00 23 L 8.73 4.98 0.00 1.45 1.46 0.83 -0.36 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 24 I 8.55 4.82 1.98 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 1.17 1.01 1.15 0.00 0.00 25 D 9.27 4.79 0.00 2.97 2.64 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 26 N 7.90 4.17 0.00 2.91 2.89 0.00 0.00 6.48 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.30 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.94 4.33 0.00 3.09 3.12 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 29 P 0.00 4.50 0.00 2.37 2.24 0.00 4.01 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.09 0.00 30 L 8.62 3.96 0.00 1.76 1.76 0.89 0.75 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 31 Q 8.16 4.07 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 32 F 8.35 4.16 0.00 3.22 3.34 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 33 F 8.58 4.03 0.00 3.43 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 34 K 8.63 4.02 0.00 2.03 1.89 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.81 7.81 35 D 8.25 4.18 0.00 2.85 2.63 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 36 A 7.78 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.44 3.28 1.56 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.73 0.62 0.00 0.00 38 A 7.79 3.86 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 39 G 7.83 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 0.00 0.00 0.00 40 A 7.40 4.68 1.20 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 0.00 0.00 41 S 7.94 3.93 0.00 3.95 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 0.00 42 D 7.66 4.13 0.00 1.63 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 0.00 0.00 0.00 0.00 43 Y 7.45 4.76 0.00 2.92 2.99 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 44 I 7.56 4.45 1.71 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 1.13 0.67 0.76 0.00 0.00 45 D 8.72 4.74 0.00 2.84 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 46 F 8.03 5.34 0.00 2.84 2.99 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 47 V 8.79 4.67 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.81 0.00 0.00 48 K 8.98 3.87 0.00 0.90 1.37 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.10 0.57 7.81 49 F 8.62 4.73 0.00 3.24 2.96 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 50 G 8.79 3.41 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 0.00 51 W 8.92 4.05 0.00 3.50 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.21 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 53 T 7.70 3.77 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 0.45 0.00 0.00 54 S 8.02 3.91 0.00 3.81 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 0.00 55 L 7.59 4.07 0.00 1.71 1.73 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.40 4.74 0.00 1.58 1.65 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.14 4.27 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 1.01 0.00 0.00 58 K 8.54 4.13 0.00 1.71 1.85 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.39 7.81 59 D 7.66 5.02 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 3.47 0.00 1.58 1.40 -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.16 3.92 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 62 E 8.03 3.97 0.00 2.17 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 2.39 2.45 0.00 63 K 7.86 3.74 0.00 1.58 1.35 0.00 1.18 0.00 0.00 0.82 0.00 0.00 2.50 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.35 1.19 7.81 64 I 7.72 3.49 1.77 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.25 0.38 0.00 0.00 65 S 8.19 4.09 0.00 4.07 4.01 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 66 T 8.19 4.02 4.69 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 0.00 0.00 0.00 1.35 0.00 0.00 67 L 8.16 4.08 0.00 2.00 2.01 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.28 4.02 0.00 1.84 1.92 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.22 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.65 1.78 7.81 69 E 8.25 4.05 0.00 2.06 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 0.00 2.13 2.28 0.00 70 H 7.43 4.69 0.00 3.12 3.19 0.00 5.86 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.85 4.38 0.00 2.77 2.64 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 72 I 7.85 4.63 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.88 0.00 0.00 73 T 8.25 4.45 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 74 F 8.10 5.80 0.00 2.82 2.95 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 75 F 8.00 4.58 0.00 3.09 3.03 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 0.00 0.00 0.00 76 F 8.62 5.39 0.00 3.38 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 77 G 9.09 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 78 G 9.23 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 79 T 8.12 4.03 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 1.26 0.00 0.00 80 L 8.18 4.01 0.00 2.16 2.10 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.13 2.74 0.00 2.20 2.95 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 82 E 8.10 3.35 0.00 2.12 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 2.32 2.61 0.00 83 K 8.01 3.74 0.00 1.92 1.75 0.00 1.39 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.23 7.81 84 Y 7.76 3.90 0.00 3.11 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 85 V 7.40 3.43 1.64 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 0.88 0.00 0.00 -0.41 0.00 0.00 86 S 8.07 4.09 0.00 3.94 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 87 Q 7.08 4.47 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 88 K 7.99 3.96 0.00 1.88 1.90 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.39 7.81 89 K 8.38 4.80 0.00 1.95 2.11 0.00 1.70 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.64 7.81 90 V 8.34 3.85 2.33 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 1.61 0.00 0.00 1.05 0.00 0.00 91 N 8.36 4.60 0.00 2.88 2.95 0.00 0.00 7.17 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 92 E 8.39 4.01 0.00 2.33 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 2.42 2.44 0.00 93 F 8.01 3.53 0.00 2.75 3.35 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 94 H 8.72 4.35 0.00 3.70 3.69 0.00 5.66 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 95 R 8.47 4.04 0.00 2.05 2.01 0.00 3.20 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 96 Y 8.23 4.09 0.00 2.99 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 97 C 8.29 4.50 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 98 T 8.40 4.15 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 99 Y 8.00 3.99 0.00 2.87 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 0.00 100 F 7.75 4.30 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 0.00 101 G 8.14 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 0.00 102 C 8.63 4.00 0.00 3.14 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 0.00 103 E 8.59 4.52 0.00 2.04 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 2.10 2.25 0.00 104 Y 8.10 5.80 0.00 2.80 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 0.00 105 I 7.94 4.64 1.68 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.47 0.05 0.00 0.00 106 E 8.23 5.05 0.00 2.11 2.23 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 2.24 2.37 0.00 107 I 8.33 4.09 1.60 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.45 0.55 0.00 0.00 108 S 8.52 5.07 0.00 3.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.30 5.16 0.00 2.76 2.86 0.00 0.00 5.98 7.00 0.00 0.00 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 G 8.51 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.11 4.15 4.32 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 1.18 0.00 0.00 112 L 8.67 4.02 0.00 1.44 1.59 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.17 0.00 2.21 2.05 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 *115 T 8.17 4.07 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 1.28 0.00 0.00 116 N 8.15 4.07 0.00 1.76 2.75 0.00 0.00 6.94 6.75 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 0.00 117 K 7.88 4.15 0.00 1.85 1.86 0.00 2.04 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.80 1.45 7.81 118 E 8.23 4.01 0.00 2.25 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 2.35 2.34 0.00 119 K 8.29 4.22 0.00 1.96 1.99 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.53 7.81 120 A 8.68 4.04 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 0.00 121 A 7.91 3.90 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 0.00 122 Y 7.80 4.35 0.00 3.46 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 0.00 123 I 7.94 3.75 2.11 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 1.43 1.10 0.93 0.00 0.00 124 A 7.95 4.26 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 0.00 125 D 8.01 4.36 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.45 4.63 0.00 3.27 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 0.00 127 S 8.45 4.50 0.00 4.01 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 0.00 128 D 8.01 4.71 0.00 2.77 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 0.00 129 E 7.93 4.39 0.00 1.63 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 2.09 2.22 0.00 130 F 8.36 4.99 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.66 4.27 0.00 0.30 0.93 0.42 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.31 4.63 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 0.92 0.00 0.00 1.05 0.00 0.00 133 L 8.56 5.11 0.00 1.22 1.22 -0.33 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.38 5.16 0.00 3.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.42 4.95 0.00 2.08 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 2.17 2.32 0.00 136 V 9.69 3.90 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 -0.19 0.00 0.00 0.80 0.00 0.00 137 G 7.50 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 0.00 138 S 8.41 4.89 0.00 3.88 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 0.00 139 K 8.95 4.58 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 140 D 8.09 4.65 0.00 2.66 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 0.00 0.00 0.00 *147 Q 8.76 4.53 0.00 2.26 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 148 S 8.90 4.98 0.00 4.41 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 0.00 149 S 8.20 4.88 0.00 3.95 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 0.00 150 E 8.90 4.73 0.00 2.00 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 2.35 2.33 0.00 151 E 7.71 3.88 0.00 1.90 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 0.00 0.00 0.00 2.27 2.28 0.00 152 W 7.75 4.19 0.00 3.55 3.13 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 0.00 153 L 7.99 4.09 0.00 1.91 1.74 0.96 0.89 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 0.00 154 E 7.84 3.95 0.00 1.90 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 0.00 2.36 2.32 0.00 155 Y 7.98 4.41 0.00 2.90 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 0.00 156 I 7.68 3.65 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.90 0.00 0.00 157 V 7.59 3.73 2.22 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 0.84 0.00 0.00 1.02 0.00 0.00 158 E 8.54 4.17 0.00 2.23 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 0.00 2.35 2.41 0.00 159 D 8.25 4.37 0.00 2.93 2.62 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 *161 E 8.17 4.25 0.00 2.17 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 0.00 2.22 2.45 0.00 162 A 7.88 4.05 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 0.00 163 G 8.38 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 0.00 164 A 7.83 4.19 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 0.00 165 E 9.12 4.19 0.00 1.91 2.19 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 2.57 2.47 0.00 166 K 7.82 4.78 0.00 1.55 1.53 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.42 7.81 167 V 8.46 4.61 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 0.93 0.00 0.00 0.86 0.00 0.00 168 I 8.87 4.55 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.41 0.87 0.00 0.00 169 T 8.62 5.01 4.19 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 1.10 0.00 0.00 170 E 9.02 5.08 0.00 2.12 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 2.37 2.58 0.00 *189 Q 8.42 4.05 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 190 I 7.68 4.11 1.85 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 1.69 1.37 0.88 0.00 0.00 191 V 7.92 3.71 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 1.01 0.00 0.00 1.18 0.00 0.00 192 D 8.01 4.36 0.00 2.69 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 0.00 193 D 8.16 4.52 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 I 7.75 3.78 2.05 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 1.85 0.76 0.95 0.00 0.00 195 I 7.91 3.96 2.21 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.26 1.03 0.00 0.00 196 S 7.64 4.80 0.00 4.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 S 7.28 4.66 0.00 3.93 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 0.00 198 D 8.46 4.74 0.00 2.89 2.95 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 0.00 199 I 7.05 4.13 2.07 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 1.21 0.53 0.94 0.00 0.00 200 D 8.66 4.37 0.00 2.69 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 0.00 201 I 8.47 3.92 1.96 0.00 0.00 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 1.53 1.27 0.97 0.00 0.00 202 N 8.46 4.58 0.00 2.95 2.88 0.00 0.00 6.89 7.28 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 0.00 203 R 7.91 4.23 0.00 1.91 2.03 0.00 3.19 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 204 L 7.36 5.02 0.00 1.56 0.77 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 205 I 7.98 4.52 1.62 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.61 0.76 0.00 0.00 206 F 8.76 5.00 0.00 1.89 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 0.00 0.00 0.00 207 E 8.84 4.52 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 208 A 9.12 5.06 1.47 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 0.00 0.00 209 P 0.00 4.92 0.00 2.28 2.29 0.00 3.49 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 210 N 7.89 5.10 0.00 3.01 2.97 0.00 0.00 6.51 7.05 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 0.00 211 K 8.88 3.88 0.00 1.88 1.89 0.00 1.92 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.57 7.81 212 T 7.99 3.85 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 213 L 8.49 3.83 0.00 1.92 1.90 1.04 1.20 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 0.00 214 Q 8.30 4.21 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 215 Q 8.59 4.15 0.00 2.30 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 216 G 7.95 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 0.00 217 F 7.99 4.26 0.00 3.14 2.95 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 0.00 218 I 8.05 3.96 2.04 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 1.57 0.91 0.93 0.00 0.00 219 Q 8.19 4.03 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 220 K 8.05 4.14 0.00 1.71 1.84 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.54 7.81 221 I 8.41 4.25 2.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.55 0.96 0.00 0.00 222 G 7.75 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 0.00 0.00 0.00 0.00 223 P 0.00 4.33 0.00 2.19 2.31 0.00 3.74 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 2.00 2.00 0.00 224 N 7.91 5.20 0.00 2.74 2.85 0.00 0.00 6.92 7.68 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 0.00 225 V 7.58 4.12 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 0.76 0.00 0.00 1.00 0.00 0.00 226 N 8.75 5.04 0.00 2.87 2.71 0.00 0.00 6.71 6.74 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 0.00 227 L 9.03 5.41 0.00 1.57 1.55 1.01 0.78 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 0.00 228 A 8.55 5.07 1.20 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 0.00 0.00 229 N 8.74 4.43 0.00 3.09 3.01 0.00 0.00 6.83 7.32 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 0.00 230 I 7.85 4.20 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.92 0.00 0.00 231 P 0.00 4.92 0.00 2.12 2.27 0.00 3.76 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 232 F 9.45 3.87 0.00 2.88 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 0.00 233 H 8.35 4.57 0.00 3.30 3.58 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 D 8.22 4.75 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 A 7.85 3.91 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 0.00 236 I 7.66 3.74 1.87 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.88 0.00 0.00 237 A 7.98 3.97 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 0.00 238 L 8.55 3.89 0.00 1.77 1.71 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 239 E 7.59 3.79 0.00 1.66 1.59 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 1.47 1.81 0.00 240 T 7.67 3.84 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 1.12 0.00 0.00 241 L 7.65 3.95 0.00 1.96 1.76 0.94 0.88 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 0.00 242 R 7.88 3.98 0.00 1.88 1.97 0.00 3.26 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 243 L 7.67 4.41 0.00 1.53 1.61 0.80 0.91 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 0.00 244 G 7.70 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 245 L 8.33 4.43 0.00 1.62 1.62 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 246 R 7.30 4.67 0.00 1.77 1.70 0.00 3.22 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 247 S 9.01 4.13 0.00 3.88 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 0.00 248 D 8.29 4.51 0.00 2.72 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 0.00 249 T 8.00 4.69 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 1.23 0.00 0.00 250 F 7.97 3.94 0.00 2.94 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 0.00 251 F 8.09 4.58 0.00 3.20 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 * Residues marked with a * may have inaccurate shift predictions.