NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.5399 8.1927 115.3042 58.6021 64.5920 175.5695 5 S 3.8909 7.8589 114.2480 59.8239 62.3349 174.6632 6 L 3.9709 8.0245 123.2706 57.8774 42.4532 177.8847 7 L 3.9925 7.8597 119.8380 58.2066 42.1745 178.7745 8 L 4.0538 8.0137 118.9751 57.7072 41.5142 179.6426 9 K 3.9694 7.8484 118.4335 59.1190 31.9428 179.3971 10 K 3.9103 8.0541 119.8806 59.6511 32.1727 178.9467 11 Q 4.0817 8.6519 118.6921 58.9408 28.6997 178.5095 12 L 3.7590 8.6693 121.4960 58.0385 42.0148 178.9029 13 A 3.9321 7.8854 120.5454 55.2167 18.2427 179.3665 14 D 4.2621 8.1555 117.3894 57.6674 40.7918 178.3268 15 M 4.0151 8.2066 118.8369 59.2432 31.9341 178.6067 16 R 3.9972 7.8671 116.2783 58.6702 30.2756 178.5764 17 R 4.3646 7.6812 117.9630 57.4784 31.0158 176.4517 18 V 4.2598 8.3716 119.2934 60.2978 31.8985 172.9745 19 P 4.8153 0.0000 0.0000 60.5449 32.4059 176.6414 20 V 3.8181 8.6016 119.6007 62.9696 30.9642 174.5807 21 D 4.2636 8.2721 126.5621 55.4943 41.0712 176.4943 22 G 3.8353 9.9541 115.1283 45.1129 0.0000 171.5512 23 F 5.3587 7.9297 117.0741 55.4833 42.9708 174.1023 24 S 4.8339 9.2549 117.9547 56.4577 64.7513 172.3317 25 A 5.2565 8.7579 128.6625 50.5631 21.6252 175.2118 26 G 3.9601 8.5096 106.5170 45.6115 0.0000 171.1319 27 L 5.0192 7.9917 119.0580 52.8180 43.2566 177.6115 28 V 3.6327 8.5210 123.7366 65.3366 31.8673 175.6768 29 D 4.8717 7.8318 119.9170 52.0929 42.6865 175.8846 30 D 4.3947 8.9038 127.0573 56.7598 40.9776 177.0435 31 N 4.9377 8.6804 115.8281 52.7154 39.1278 175.0341 32 D 4.6845 8.2044 119.8934 52.4754 41.6325 175.4019 33 I 3.8611 8.1887 120.5804 62.1309 38.1622 175.5802 34 Y 4.6406 8.3198 115.9772 58.6350 39.5064 175.0653 35 K 5.1435 8.2555 119.2836 54.6878 35.5224 174.8783 36 W 5.4072 9.4991 126.1227 54.8732 32.2092 175.3122 37 E 5.0443 9.1392 122.2477 54.9304 31.2541 175.0595 38 V 5.0729 9.2322 119.3011 59.1864 35.0876 174.6822 39 L 4.6323 9.2858 128.4989 54.5162 43.5216 175.4310 40 V 4.1728 9.0666 127.5051 61.1562 33.2773 174.2987 41 I 4.2829 7.9456 130.1247 60.1045 37.9556 176.4657 42 G 4.0615 8.8047 114.8220 45.5365 0.0000 171.2203 43 P 4.7408 0.0000 0.0000 61.8164 32.2067 174.7365 44 P 4.3625 0.0000 0.0000 64.0933 31.9674 175.6889 45 D 4.6558 9.2467 119.6947 55.4900 38.3075 174.1020 46 T 4.8928 7.6758 106.2848 59.7100 71.9076 173.7960 47 L 3.9054 8.7703 122.0080 57.2514 41.7885 177.0986 48 Y 4.5254 7.9779 117.0026 56.7572 37.2901 174.8474 49 E 4.7425 8.3278 121.0356 56.9107 31.7428 178.2302 50 G 4.0250 7.9990 104.2529 45.2045 0.0000 173.2693 51 G 3.2252 7.8521 107.7775 45.1987 0.0000 174.2114 52 F 4.4869 8.0029 123.9975 55.7566 37.9606 174.5646 53 F 4.7412 8.5722 119.1739 56.7338 40.3980 176.2046 54 K 4.8525 9.0275 123.7911 56.4184 33.4808 176.0434 55 A 4.9471 8.9263 124.0181 50.6708 23.4368 174.9146 56 I 5.0808 8.5961 119.6527 59.5231 40.9354 174.6546 57 L 4.7672 8.9318 127.0263 53.1171 43.8304 175.0486 58 D 5.1655 8.6304 124.5529 52.6980 42.8864 175.2417 59 F 4.8658 8.8290 123.5292 54.6848 39.4514 174.5717 60 P 4.5122 0.0000 0.0000 62.4041 31.8994 177.4137 61 R 3.9588 8.4281 117.2368 58.2130 30.0446 177.1826 62 D 5.0617 7.1710 116.0950 54.9895 39.2195 178.0246 63 Y 4.3717 7.7542 119.5280 61.3776 40.5119 176.1791 64 P 3.8355 0.0000 0.0000 65.2399 32.3373 177.3912 65 Q 4.8614 7.2877 114.8803 53.3514 27.6943 176.5711 66 K 4.4115 7.9136 117.1044 55.9807 36.3414 172.2726 67 P 2.9700 0.0000 0.0000 61.5900 31.7386 174.4055 68 P 4.3474 0.0000 0.0000 62.0860 33.0899 174.9265 69 K 4.3209 8.3511 120.1642 55.0730 34.3255 175.3737 70 M 4.7823 8.3867 124.0810 53.6452 34.6739 173.9295 71 K 4.9451 8.5851 128.2126 54.4652 34.6200 174.9357 72 F 4.4377 9.6009 127.6655 57.4903 39.9002 174.9321 73 I 4.3840 8.7704 124.7460 60.8253 39.4936 173.9725 74 S 4.2647 9.0531 123.3047 58.6439 60.4571 168.8028 75 E 3.9826 8.5744 123.4926 56.9459 29.7214 177.0459 76 I 4.5441 8.1964 121.7744 59.3916 40.9524 174.0121 77 W 4.6981 8.7373 135.0000 55.8995 30.7281 173.8875 78 H 4.9103 7.7422 123.8684 53.3483 32.9825 172.3028 79 P 4.1203 0.0000 0.0000 65.3677 31.3606 177.4533 80 N 4.7056 7.9277 112.9649 52.6233 38.7368 173.7456 81 I 4.7345 7.3413 120.0902 59.1269 39.4507 175.6062 82 D 4.7297 8.5941 126.0819 52.4236 40.2237 176.8872 83 K 4.2692 8.5203 116.8510 58.6346 32.6051 177.1024 84 E 4.4995 9.9671 120.3887 55.9231 29.9567 177.7811 85 G 4.2569 8.2819 108.3184 46.2835 0.0000 173.6422 86 N 4.7476 7.7707 117.2922 53.5586 39.4795 174.3407 87 V 4.3781 8.7257 125.0183 62.4893 32.7026 175.3611 88 C 4.9193 9.0996 126.1088 57.8529 29.8079 173.3103 89 I 4.6461 7.8879 116.1800 58.4514 40.8025 176.6501 90 S 3.6117 8.7544 118.1288 61.9659 62.5878 176.8560 91 I 3.8543 7.7285 116.7589 62.7468 37.6894 175.8214 92 L 4.4644 7.5938 118.0068 55.9286 42.7789 176.5793 93 H 4.5195 8.6039 117.3105 55.8689 29.2436 174.4521 94 D 4.6543 8.2454 116.8613 52.4262 40.7914 173.6507 95 P 4.3924 0.0000 0.0000 64.8356 32.6235 175.2026 *105 P 4.4978 0.0000 0.0000 62.2271 32.0357 180.0152 106 E 4.1000 9.0281 118.5646 58.3026 29.6608 177.2729 107 E 4.0533 8.2234 117.6166 59.8995 29.6721 177.4952 108 R 4.5953 7.1434 113.9925 55.2618 31.8813 175.2997 109 W 4.5223 8.4536 130.0732 57.6762 31.3433 176.1522 110 L 4.5381 7.4197 126.0256 52.1651 43.9297 175.8716 111 P 5.0494 0.0000 0.0000 64.5033 31.5129 177.9335 112 V 3.7982 7.1077 109.5055 61.9013 31.9204 175.9920 113 H 4.3957 6.7832 117.5476 55.4316 29.3096 174.7594 114 T 5.0955 8.0582 112.9203 58.1406 73.1188 175.0993 115 V 3.6921 8.5801 119.5602 66.1700 31.1970 177.2304 116 E 3.8777 8.2801 118.4687 59.6217 29.3914 178.7287 117 T 3.8042 7.5555 115.6599 66.7290 68.5157 176.3883 118 I 3.6960 7.8135 121.4227 64.6381 36.9882 178.3365 119 L 3.5489 8.0539 118.5630 57.7010 41.6178 179.5699 120 L 4.1341 8.0763 119.2455 57.7950 41.7034 179.6443 121 S 4.2424 8.3301 113.9207 60.8087 62.8075 176.5162 122 V 3.6771 7.6594 122.6622 65.8517 31.1891 177.9077 123 I 3.8550 7.7960 119.3318 64.3104 36.7992 178.5315 124 S 4.0965 8.0275 115.5506 61.8119 62.5557 175.9621 125 M 3.9868 7.7760 119.3221 58.9700 31.9641 178.0236 126 L 3.6815 7.5359 117.5440 57.8261 41.7894 179.2396 127 T 4.4293 7.9572 115.1956 65.1809 69.4144 174.6736 128 D 4.6786 8.8351 121.1441 51.4991 42.0275 172.2525 129 P 4.3123 0.0000 0.0000 62.2419 31.9541 176.1701 130 N 4.8353 8.3056 119.6521 51.6420 40.8622 173.9515 131 F 3.7550 9.6240 127.6354 58.3376 37.7693 177.9406 132 E 3.5806 10.2924 117.2625 59.0126 27.1741 174.5442 133 S 3.7371 8.0806 121.9348 58.4808 59.6193 169.5795 134 P 4.2954 0.0000 0.0000 62.7163 32.0923 177.2596 135 A 4.2147 8.2705 122.1722 53.1145 19.1041 177.7025 136 N 4.6842 7.8449 114.3332 50.7177 39.9366 174.9573 137 V 3.5617 8.4509 124.7166 65.9925 31.8920 176.9329 138 D 4.7197 8.2269 118.0732 57.6711 40.6917 179.2127 139 A 4.1272 8.3222 120.7044 54.9262 17.9467 179.3431 140 A 4.0445 8.0151 119.6187 55.3609 18.6134 179.7895 141 K 3.9339 9.1647 118.9883 59.7777 32.0737 178.4745 142 M 4.1087 8.1340 118.4153 59.0152 32.0756 177.9540 143 Q 3.8022 7.6987 118.3156 58.9782 29.0501 178.5361 144 R 3.9131 7.5048 117.5772 58.7896 30.2226 177.3011 145 E 4.4355 7.7569 113.7906 57.4525 31.9839 176.5017 146 N 4.7284 7.7300 119.5091 51.5727 37.8914 175.1675 147 Y 4.4077 7.9297 122.2060 60.5157 39.5436 176.1707 148 A 3.9288 8.2517 121.5568 55.6609 18.4674 179.0744 149 E 3.9713 9.0548 117.0255 58.6375 29.7396 178.9862 150 F 4.1147 7.9157 120.1884 61.4199 39.5713 177.1773 151 K 3.6688 7.7270 117.5017 59.2911 31.3127 179.2686 152 K 3.8900 7.4735 118.8976 59.0643 32.1703 178.8462 153 K 3.9200 7.6127 118.6705 58.5496 32.0290 179.3799 154 V 3.4002 7.4801 118.5871 65.7641 31.2613 177.9366 155 A 3.9195 7.8482 120.5344 55.2092 18.2440 179.6519 156 Q 3.8956 7.5530 115.4625 59.2787 28.7129 178.7189 157 C 4.2990 7.9251 117.4777 62.6001 27.7748 176.2551 158 V 3.6092 8.0235 120.1710 65.8659 30.8859 178.3914 159 R 4.0161 8.1443 117.6092 58.9942 30.0440 178.5805 160 R 4.0778 7.9449 118.4753 59.0450 29.8900 178.5055 161 S 4.1859 7.9114 113.1708 60.7535 63.1487 175.6969 162 Q 4.1574 7.5656 118.8720 56.6884 28.6937 176.1087 163 E 4.6521 7.4561 118.8423 55.7418 30.2049 175.8715 164 E 4.2218 7.8567 124.2650 56.6954 30.6485 175.3748 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 4 S 8.19 4.54 0.00 4.01 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 5 S 7.86 3.89 0.00 4.15 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.02 3.97 0.00 1.74 1.66 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.86 3.99 0.00 1.85 1.92 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.01 4.05 0.00 1.53 1.57 0.14 -0.60 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 9 K 7.85 3.97 0.00 1.88 1.82 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.57 7.81 10 K 8.05 3.91 0.00 1.90 2.02 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.46 1.55 7.81 11 Q 8.65 4.08 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.73 0.00 12 L 8.67 3.76 0.00 1.06 1.50 -0.29 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.89 3.93 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 14 D 8.16 4.26 0.00 2.88 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 15 M 8.21 4.02 0.00 2.26 2.43 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.93 0.00 16 R 7.87 4.00 0.00 1.90 1.93 0.00 2.99 0.00 0.00 3.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 17 R 7.68 4.36 0.00 1.83 2.05 0.00 3.20 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 18 V 8.37 4.26 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 0.89 0.00 0.00 0.95 0.00 0.00 19 P 0.00 4.82 0.00 2.17 2.18 0.00 3.82 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 20 V 8.60 3.82 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 1.07 0.00 0.00 0.91 0.00 0.00 21 D 8.27 4.26 0.00 2.73 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 22 G 9.95 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 0.00 0.00 0.00 23 F 7.93 5.36 0.00 3.07 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 24 S 9.25 4.83 0.00 3.94 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 25 A 8.76 5.26 1.28 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 26 G 8.51 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 0.00 0.00 0.00 27 L 7.99 5.02 0.00 1.40 1.64 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.52 3.63 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 0.75 0.00 0.00 0.99 0.00 0.00 29 D 7.83 4.87 0.00 2.69 2.51 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 0.00 0.00 0.00 0.00 30 D 8.90 4.39 0.00 2.68 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 31 N 8.68 4.94 0.00 2.79 2.81 0.00 0.00 6.64 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 32 D 8.20 4.68 0.00 2.76 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 33 I 8.19 3.86 1.76 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 1.27 0.73 0.39 0.00 0.00 34 Y 8.32 4.64 0.00 3.24 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 35 K 8.26 5.14 0.00 1.79 1.82 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.69 7.81 36 W 9.50 5.41 0.00 3.34 3.16 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 37 E 9.14 5.04 0.00 2.06 2.12 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 2.30 2.28 0.00 38 V 9.23 5.07 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 0.97 0.00 0.00 0.99 0.00 0.00 39 L 9.29 4.63 0.00 1.81 1.63 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 40 V 9.07 4.17 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 0.96 0.00 0.00 1.23 0.00 0.00 41 I 7.95 4.28 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.46 0.51 0.00 0.00 42 G 8.80 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.74 0.00 1.99 2.03 0.00 3.72 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 2.04 2.06 0.00 44 P 0.00 4.36 0.00 2.19 2.06 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 45 D 9.25 4.66 0.00 2.95 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 46 T 7.68 4.89 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 1.36 0.00 0.00 47 L 8.77 3.91 0.00 1.23 1.42 1.11 0.81 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 48 Y 7.98 4.53 0.00 3.01 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 49 E 8.33 4.74 0.00 1.94 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 2.44 2.46 0.00 50 G 8.00 4.03 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 0.00 0.00 0.00 51 G 7.85 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 0.00 0.00 0.00 52 F 8.00 4.49 0.00 2.94 2.97 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 53 F 8.57 4.74 0.00 3.51 3.37 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 54 K 9.03 4.85 0.00 1.84 1.80 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.56 7.81 55 A 8.93 4.95 0.49 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 0.00 0.00 56 I 8.60 5.08 1.86 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 1.39 0.82 0.97 0.00 0.00 57 L 8.93 4.77 0.00 1.46 0.69 0.79 0.79 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 58 D 8.63 5.17 0.00 2.39 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 59 F 8.83 4.87 0.00 2.85 2.83 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 60 P 0.00 4.51 0.00 2.42 2.18 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 2.30 2.11 0.00 61 R 8.43 3.96 0.00 1.78 1.95 0.00 2.82 0.00 0.00 2.60 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 62 D 7.17 5.06 0.00 2.82 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 63 Y 7.75 4.37 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 3.84 0.00 2.19 1.97 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 65 Q 7.29 4.86 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 66 K 7.91 4.41 0.00 1.86 1.94 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.18 1.16 7.81 67 P 0.00 2.97 0.00 1.79 1.30 0.00 3.48 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.47 0.00 68 P 0.00 4.35 0.00 0.89 0.77 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.30 0.00 69 K 8.35 4.32 0.00 1.55 1.63 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.69 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.22 7.81 70 M 8.39 4.78 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 71 K 8.59 4.95 0.00 1.82 1.59 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.41 7.81 72 F 9.60 4.44 0.00 3.36 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 73 I 8.77 4.38 1.96 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 1.29 0.60 0.99 0.00 0.00 74 S 9.05 4.26 0.00 4.32 4.45 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 75 E 8.57 3.98 0.00 2.05 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 2.41 2.35 0.00 76 I 8.20 4.54 1.50 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 1.00 0.31 0.60 0.00 0.00 77 W 8.74 4.70 0.00 3.25 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 78 H 7.74 4.91 0.00 3.04 2.86 0.00 5.94 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.12 0.00 1.63 1.63 0.00 2.86 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 1.66 1.85 0.00 80 N 7.93 4.71 0.00 2.80 2.91 0.00 0.00 6.92 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 81 I 7.34 4.73 1.74 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 1.22 0.57 0.96 0.00 0.00 82 D 8.59 4.73 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 83 K 8.52 4.27 0.00 1.93 2.07 0.00 1.44 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.54 7.81 84 E 9.97 4.50 0.00 2.01 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 2.26 2.24 0.00 85 G 8.28 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 86 N 7.77 4.75 0.00 3.19 2.76 0.00 0.00 6.47 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 87 V 8.73 4.38 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 1.18 0.00 0.00 88 C 9.10 4.92 0.00 2.82 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 89 I 7.89 4.65 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 1.38 0.81 0.87 0.00 0.00 90 S 8.75 3.61 0.00 3.85 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 91 I 7.73 3.85 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.80 0.94 0.00 0.00 92 L 7.59 4.46 0.00 1.81 1.61 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.60 4.52 0.00 3.30 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.25 4.65 0.00 2.77 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 95 P 0.00 4.39 0.00 2.09 2.19 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 *105 P 0.00 4.50 0.00 2.23 1.35 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 106 E 9.03 4.10 0.00 1.91 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 2.27 2.39 0.00 107 E 8.22 4.05 0.00 2.01 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 2.32 2.28 0.00 108 R 7.14 4.60 0.00 1.77 2.01 0.00 3.25 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 109 W 8.45 4.52 0.00 3.73 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 0.00 110 L 7.42 4.54 0.00 0.70 1.07 0.72 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 5.05 0.00 1.93 2.07 0.00 3.52 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 112 V 7.11 3.80 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.65 0.00 0.00 113 H 6.78 4.40 0.00 1.51 2.58 0.00 5.59 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.06 5.10 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 1.28 0.00 0.00 115 V 8.58 3.69 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.63 0.00 0.00 116 E 8.28 3.88 0.00 2.11 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 2.37 2.41 0.00 117 T 7.56 3.80 4.34 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 0.93 0.00 0.00 118 I 7.81 3.70 2.04 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 1.01 0.81 0.00 0.00 119 L 8.05 3.55 0.00 1.32 0.57 0.71 0.62 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 0.00 120 L 8.08 4.13 0.00 1.81 1.70 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.33 4.24 0.00 4.00 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 0.00 122 V 7.66 3.68 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 1.22 0.00 0.00 0.98 0.00 0.00 123 I 7.80 3.85 2.12 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.07 0.98 0.00 0.00 124 S 8.03 4.10 0.00 4.01 3.91 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 0.00 0.00 0.00 125 M 7.78 3.99 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.24 0.00 126 L 7.54 3.68 0.00 1.66 1.31 0.76 -0.01 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 0.00 127 T 7.96 4.43 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 1.26 0.00 0.00 128 D 8.84 4.68 0.00 2.50 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.31 0.00 1.58 1.78 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.04 0.00 130 N 8.31 4.84 0.00 2.68 2.70 0.00 0.00 7.20 7.18 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 0.00 131 F 9.62 3.75 0.00 3.04 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 0.00 132 E 10.29 3.58 0.00 2.27 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 0.00 2.29 2.38 0.00 133 S 8.08 3.74 0.00 4.05 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 0.00 134 P 0.00 4.30 0.00 2.01 1.97 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 135 A 8.27 4.21 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 0.00 136 N 7.84 4.68 0.00 2.69 2.60 0.00 0.00 6.72 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 0.00 137 V 8.45 3.56 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 1.05 0.00 0.00 0.94 0.00 0.00 138 D 8.23 4.72 0.00 3.13 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 0.00 139 A 8.32 4.13 0.59 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 0.00 140 A 8.02 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 141 K 9.16 3.93 0.00 1.72 1.95 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.59 7.81 142 M 8.13 4.11 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.06 0.00 143 Q 7.70 3.80 0.00 0.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.06 0.00 144 R 7.50 3.91 0.00 1.93 1.80 0.00 2.88 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.52 0.00 145 E 7.76 4.44 0.00 2.15 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 2.51 2.32 0.00 146 N 7.73 4.73 0.00 2.86 2.86 0.00 0.00 6.99 7.44 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 0.00 147 Y 7.93 4.41 0.00 3.05 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 0.00 148 A 8.25 3.93 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 0.00 149 E 9.05 3.97 0.00 2.13 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 2.23 2.27 0.00 150 F 7.92 4.11 0.00 3.44 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 K 7.73 3.67 0.00 1.60 1.66 0.00 1.59 0.00 0.00 1.40 0.00 0.00 2.35 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 0.58 7.81 152 K 7.47 3.89 0.00 1.97 1.85 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.40 7.81 153 K 7.61 3.92 0.00 1.45 1.24 0.00 1.35 0.00 0.00 1.42 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.08 7.81 154 V 7.48 3.40 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 0.27 0.00 0.00 0.23 0.00 0.00 155 A 7.85 3.92 1.29 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 0.00 0.00 0.00 156 Q 7.55 3.90 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.58 0.00 157 C 7.93 4.30 0.00 3.34 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 0.00 158 V 8.02 3.61 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 1.03 0.00 0.00 1.13 0.00 0.00 159 R 8.14 4.02 0.00 1.92 1.95 0.00 3.18 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 160 R 7.94 4.08 0.00 2.04 1.93 0.00 3.13 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 161 S 7.91 4.19 0.00 3.91 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 0.00 162 Q 7.57 4.16 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.35 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 163 E 7.46 4.65 0.00 1.83 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 2.20 2.19 0.00 164 E 7.86 4.22 0.00 1.98 1.77 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 2.20 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.