NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 3.9943 8.0549 117.9084 60.3471 33.6016 175.7567 4 I 4.1412 7.8433 122.8241 58.4658 36.9282 173.2710 5 N 5.0746 8.1937 121.5794 51.9619 39.4536 174.1754 6 T 4.4333 7.6640 109.6891 60.8473 71.8207 175.2304 7 F 4.3040 8.1095 120.2409 61.0286 39.0275 177.6702 8 D 4.5285 8.3149 117.7721 57.4778 40.8095 178.8821 9 G 3.7195 8.0977 106.1753 47.9648 0.0000 175.8645 10 V 3.6560 8.2886 120.8554 65.5304 31.4345 177.9014 11 A 4.0660 8.2331 120.6018 55.3878 18.0891 179.4454 12 D 4.2729 8.2776 117.3302 57.5176 40.8660 178.1258 13 Y 4.0021 8.0782 120.0806 60.8234 38.6699 178.2817 14 L 3.8017 8.2061 119.8189 58.0671 41.5236 179.6978 15 Q 3.5046 7.4429 116.6234 58.4942 28.6014 178.4518 16 T 3.6116 6.8693 115.8978 65.7894 67.8259 176.1578 17 Y 4.1950 7.5859 117.2786 57.2825 38.1269 176.0424 18 H 3.2345 7.5931 116.0313 55.4784 26.8490 174.4222 19 K 4.6389 7.1287 112.7763 55.8169 35.2977 175.2281 20 L 4.1157 8.2856 120.2214 53.6852 42.1356 175.4960 21 P 3.7503 0.0000 0.0000 62.3410 31.7262 177.5171 22 D 4.4404 8.4238 119.9703 56.9865 41.0355 177.3346 23 N 4.5621 8.1004 115.2878 53.3576 37.5360 173.4440 24 Y 5.2199 7.4669 116.5640 56.5797 40.3244 175.1754 25 I 4.9836 8.6542 115.6618 59.2152 41.7642 174.8849 26 T 4.5341 8.8651 114.3736 61.2791 70.0345 175.6799 27 K 4.0047 9.1590 121.5648 59.7654 32.0999 179.8597 28 S 4.2123 8.1573 114.8426 61.7766 62.6185 176.4540 29 E 4.0160 7.9547 119.3082 59.2408 29.5006 179.0178 30 A 4.1610 8.0614 120.7480 55.4642 18.5333 179.7000 31 Q 4.3335 8.7088 116.5640 59.2402 28.5558 179.0283 32 A 4.1070 7.8880 120.5033 54.7398 18.4937 178.8144 33 L 4.3885 7.7446 115.2819 54.9325 42.0321 177.5948 34 G 4.1553 7.8667 108.1405 45.0259 0.0000 173.3691 35 W 4.4654 8.1974 129.5050 56.6327 31.3842 175.6256 36 V 3.7656 9.3022 126.0437 60.5931 31.9437 175.4220 37 A 3.6370 7.4175 131.3577 55.3903 18.0847 179.5938 38 S 4.4491 7.8782 109.3649 60.7244 62.9793 175.1539 39 K 4.2715 7.8673 118.1859 55.2514 33.2350 176.3463 40 G 3.2492 7.6144 107.7895 46.6083 0.0000 174.2986 41 N 4.8896 8.0083 112.7328 52.2519 38.1870 176.1513 42 L 3.9158 8.4908 122.6743 59.0584 41.9751 178.7681 43 A 4.0607 8.1358 119.7118 54.7759 18.0578 179.3425 44 D 4.3728 7.7739 117.2250 57.7797 41.1043 178.9717 45 V 3.9874 7.7728 110.7338 62.8238 33.3640 176.4694 46 A 4.6153 8.2954 121.7635 48.7254 18.8739 172.0541 47 P 4.5414 0.0000 0.0000 63.1972 31.9268 178.1959 48 G 3.8777 8.9721 110.5587 44.9825 0.0000 173.1329 49 K 4.6601 7.3482 118.0966 55.4210 33.8712 176.2046 50 S 4.5700 8.6672 117.4325 56.5597 67.2997 173.4424 51 I 4.2810 7.8698 122.9015 60.9023 38.1642 175.3482 52 G 4.2604 8.9636 112.6536 47.0695 0.0000 173.4479 53 G 4.4257 9.5854 109.4037 44.7369 0.0000 174.3795 54 D 4.7088 8.0534 119.6585 53.8855 42.3053 175.9014 55 I 4.2519 8.3807 122.4141 61.6277 38.0000 175.1501 56 F 4.7712 8.7216 129.6751 56.3804 39.8313 175.6518 57 S 3.9584 8.1514 121.7848 59.7734 62.9863 174.1144 58 N 3.8510 6.7309 119.1014 54.6354 36.6636 176.1693 *59 R 4.0147 7.4332 114.9324 59.1724 29.0233 180.6394 60 E 4.0193 8.1804 116.7490 56.8981 29.7091 177.9498 61 G 3.8690 7.7014 106.5359 46.3951 0.0000 175.4059 62 K 4.1300 7.5380 117.6263 57.7366 32.4711 177.5950 63 L 3.7857 6.9684 118.0999 51.4570 43.0322 174.4857 64 P 4.3228 0.0000 0.0000 62.7395 31.5364 176.2723 65 G 4.0731 8.5113 112.7152 44.6412 0.0000 172.2765 66 K 4.5915 8.0255 121.3365 54.3649 35.3137 175.2231 67 S 4.1590 8.4354 118.9809 59.4192 63.5251 174.7284 68 G 3.8141 8.8401 111.7464 45.3999 0.0000 172.8048 69 R 4.0828 7.3900 120.7337 55.1684 31.0812 175.4681 70 T 4.6624 8.4212 115.3059 59.6332 72.1155 172.8600 71 W 5.0278 8.5223 121.9455 55.1772 32.4321 174.9255 72 R 5.2103 8.7431 121.2490 54.4145 34.4821 173.8144 73 E 5.4815 8.9263 117.3933 55.0362 33.6770 174.3468 74 A 5.0451 8.8959 120.8086 50.7946 23.0515 175.2122 75 D 5.2057 9.3561 121.4368 53.7988 41.5525 175.9653 76 A 4.7683 8.3653 123.0744 50.4516 22.5826 176.0284 77 N 4.1637 8.7065 114.8198 54.2547 36.5438 173.8517 78 Y 4.4715 7.3273 120.2905 56.8463 39.9013 175.3925 79 T 4.0000 7.5393 115.3227 62.7031 70.6885 173.5827 80 S 4.0196 6.3950 112.3338 58.1746 65.7406 174.3313 81 G 3.8096 8.4605 107.1447 45.3289 0.0000 173.2668 82 F 4.4466 8.5512 117.1862 57.3030 39.5912 175.4581 83 R 4.2566 8.7181 122.5022 56.4039 30.7893 177.6112 84 N 4.8592 8.6213 119.5186 52.8102 39.5681 174.6749 85 S 4.1378 8.5446 111.8368 58.7057 64.7126 173.1716 86 D 5.3351 8.2415 122.3164 53.8189 42.3582 175.7927 87 R 5.0839 9.2743 121.3166 54.7736 35.4617 173.9112 88 I 5.0866 9.0930 123.3132 60.0089 39.4450 174.5548 89 L 5.4757 9.3815 128.1525 53.1159 43.9728 175.2111 90 Y 5.6857 9.0335 122.0991 55.3895 41.6671 175.0249 91 S 4.6508 8.5567 116.6459 55.4473 65.3528 175.2969 92 S 3.2645 7.8514 114.5041 60.2599 62.7449 174.7007 93 D 4.3655 7.1398 118.5680 52.0830 39.3315 175.8710 94 W 3.8101 6.6645 117.4504 58.2656 27.0457 174.4270 95 L 4.5473 7.6983 117.8879 54.2361 42.4797 176.2033 96 I 5.4782 8.8814 123.3931 59.9632 40.4069 174.3171 97 Y 5.3665 9.9164 124.0958 56.0303 42.1545 174.5802 98 K 5.2286 9.2131 119.3834 55.6321 36.5663 175.0546 99 T 4.8744 9.2287 115.8297 60.5253 70.8248 174.0812 100 T 4.8285 8.7550 115.3720 60.2976 69.8815 173.4469 101 D 4.7423 7.4046 121.0452 54.0788 40.0005 175.1699 102 H 3.5598 8.6519 111.7325 58.6543 26.6636 175.1366 103 Y 3.1691 7.1263 110.0113 58.8979 36.2436 172.1844 104 Q 4.1300 7.8485 120.6327 58.5300 28.9383 176.6655 105 T 4.6161 8.2719 105.4736 59.6089 71.8286 172.8412 106 F 5.3177 8.5412 120.1709 56.1729 43.0332 174.4785 107 T 4.6773 8.8924 117.4885 61.4299 71.9654 173.4733 108 K 3.4281 8.5590 128.3018 56.1832 32.3493 176.2856 109 I 4.5402 8.6966 118.7774 60.5410 39.7657 175.7363 110 R 4.1898 7.6312 126.7783 56.6361 31.1036 174.5301 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 V 8.05 3.99 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.84 4.14 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.10 0.91 0.00 0.00 5 N 8.19 5.07 0.00 2.75 2.82 0.00 0.00 5.88 7.22 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 6 T 7.66 4.43 4.22 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 1.17 0.00 0.00 7 F 8.11 4.30 0.00 3.17 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 8 D 8.31 4.53 0.00 2.76 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 9 G 8.10 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 0.00 0.00 0.00 10 V 8.29 3.66 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 0.95 0.00 0.00 1.08 0.00 0.00 11 A 8.23 4.07 1.52 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 0.00 0.00 0.00 12 D 8.28 4.27 0.00 2.77 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 13 Y 8.08 4.00 0.00 3.22 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 14 L 8.21 3.80 0.00 1.86 1.67 0.48 0.59 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 15 Q 7.44 3.50 0.00 1.85 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 16 T 6.87 3.61 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 0.47 0.00 0.00 17 Y 7.59 4.19 0.00 2.48 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 18 H 7.59 3.23 0.00 3.22 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.13 4.64 0.00 1.91 1.85 0.00 1.91 0.00 0.00 2.03 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.62 7.81 20 L 8.29 4.12 0.00 1.62 1.39 0.79 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.75 0.00 2.32 1.38 0.00 3.45 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.16 0.00 22 D 8.42 4.44 0.00 2.63 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 23 N 8.10 4.56 0.00 2.77 2.90 0.00 0.00 6.14 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 24 Y 7.47 5.22 0.00 3.01 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 25 I 8.65 4.98 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 0.90 0.00 0.00 26 T 8.87 4.53 4.48 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 1.28 0.00 0.00 27 K 9.16 4.00 0.00 1.99 2.20 0.00 1.94 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.61 1.81 7.81 28 S 8.16 4.21 0.00 3.92 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 29 E 7.95 4.02 0.00 2.16 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 2.38 2.37 0.00 30 A 8.06 4.16 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 31 Q 8.71 4.33 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.95 0.00 32 A 7.89 4.11 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 33 L 7.74 4.39 0.00 1.88 1.77 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.87 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.20 4.47 0.00 3.18 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 36 V 9.30 3.77 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 0.80 0.00 0.00 0.91 0.00 0.00 37 A 7.42 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.88 4.45 0.00 3.84 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 39 K 7.87 4.27 0.00 1.80 1.78 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.47 7.81 40 G 7.61 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 0.00 0.00 0.00 41 N 8.01 4.89 0.00 2.90 3.01 0.00 0.00 5.73 6.67 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 42 L 8.49 3.92 0.00 1.25 1.63 0.38 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.14 4.06 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 44 D 7.77 4.37 0.00 2.89 2.75 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 45 V 7.77 3.99 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 0.93 0.00 0.00 1.05 0.00 0.00 46 A 8.30 4.62 1.17 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 0.00 0.00 0.00 47 P 0.00 4.54 0.00 2.16 2.13 0.00 3.38 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 48 G 8.97 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 0.00 0.00 0.00 49 K 7.35 4.66 0.00 1.64 1.59 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.49 7.81 50 S 8.67 4.57 0.00 2.72 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 51 I 7.87 4.28 1.70 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.42 0.86 0.00 0.00 52 G 8.96 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 0.00 0.00 0.00 0.00 53 G 9.59 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 0.00 0.00 0.00 0.00 54 D 8.05 4.71 0.00 2.72 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 55 I 8.38 4.25 1.88 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 1.24 0.74 0.90 0.00 0.00 56 F 8.72 4.77 0.00 3.00 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 57 S 8.15 3.96 0.00 3.82 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 58 N 6.73 3.85 0.00 2.71 2.86 0.00 0.00 6.83 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 *59 R 7.43 4.01 0.00 1.78 1.89 0.00 3.32 0.00 0.00 3.34 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.00 60 E 8.18 4.02 0.00 2.09 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 2.44 2.41 0.00 61 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 62 K 7.54 4.13 0.00 1.91 2.17 0.00 2.00 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.50 7.81 63 L 6.97 3.79 0.00 0.69 0.13 -0.45 -0.42 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 64 P 0.00 4.32 0.00 2.31 2.15 0.00 2.94 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.15 0.00 65 G 8.51 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 66 K 8.03 4.59 0.00 1.75 1.55 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.40 7.81 67 S 8.44 4.16 0.00 3.99 3.84 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 0.00 68 G 8.84 3.81 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 0.00 0.00 0.00 69 R 7.39 4.08 0.00 1.55 1.85 0.00 3.25 0.00 0.00 2.62 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.14 0.00 70 T 8.42 4.66 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 71 W 8.52 5.03 0.00 3.50 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 72 R 8.74 5.21 0.00 0.67 1.32 0.00 3.14 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.37 0.00 73 E 8.93 5.48 0.00 2.18 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 0.00 2.47 2.39 0.00 74 A 8.90 5.05 1.05 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 0.00 0.00 75 D 9.36 5.21 0.00 2.59 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 76 A 8.37 4.77 0.79 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 0.00 0.00 77 N 8.71 4.16 0.00 2.77 2.84 0.00 0.00 6.86 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 78 Y 7.33 4.47 0.00 3.15 2.75 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 79 T 7.54 4.00 4.04 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 1.08 0.00 0.00 80 S 6.40 4.02 0.00 3.84 3.66 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 81 G 8.46 3.81 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 0.00 0.00 0.00 82 F 8.55 4.45 0.00 3.17 3.08 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 83 R 8.72 4.26 0.00 1.97 1.94 0.00 3.22 0.00 0.00 3.54 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.74 0.00 84 N 8.62 4.86 0.00 2.86 2.98 0.00 0.00 6.00 7.64 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 85 S 8.54 4.14 0.00 3.80 4.05 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 86 D 8.24 5.34 0.00 2.94 2.78 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 87 R 9.27 5.08 0.00 1.58 1.82 0.00 3.58 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.07 0.00 88 I 9.09 5.09 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.28 1.19 0.00 0.00 89 L 9.38 5.48 0.00 1.58 1.48 0.38 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.03 5.69 0.00 3.17 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 91 S 8.56 4.65 0.00 2.84 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 92 S 7.85 3.26 0.00 3.65 3.69 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 0.00 93 D 7.14 4.37 0.00 2.68 2.59 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 94 W 6.66 3.81 0.00 3.53 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 95 L 7.70 4.55 0.00 1.84 2.02 1.22 0.93 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 96 I 8.88 5.48 2.01 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.09 1.13 0.00 0.00 97 Y 9.92 5.37 0.00 2.76 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 98 K 9.21 5.23 0.00 0.90 1.49 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.01 1.05 7.81 99 T 9.23 4.87 3.81 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 1.00 0.00 0.00 100 T 8.76 4.83 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 101 D 7.40 4.74 0.00 2.85 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 0.00 102 H 8.65 3.56 0.00 3.28 3.46 0.00 6.00 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.13 3.17 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 0.00 104 Q 7.85 4.13 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 105 T 8.27 4.62 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 1.20 0.00 0.00 106 F 8.54 5.32 0.00 2.93 3.09 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 0.00 107 T 8.89 4.68 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 108 K 8.56 3.43 0.00 0.79 1.38 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.18 0.95 7.81 109 I 8.70 4.54 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 0.81 0.00 0.00 110 R 7.63 4.19 0.00 1.89 1.84 0.00 3.34 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.