NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 3.7905 8.1693 120.6179 53.9259 41.6565 176.5312 13 P 4.4861 0.0000 0.0000 61.2093 32.6228 175.6305 14 S 4.2969 9.2634 115.5893 61.4078 63.8224 175.3544 15 D 4.5498 7.1400 116.9090 53.3352 44.9776 174.4630 16 L 4.8090 8.2637 120.7556 53.7237 43.0456 176.7410 17 A 4.3131 8.7027 125.5507 51.7862 20.1282 176.5993 18 R 4.7116 8.5204 120.1052 55.8144 31.6258 175.9043 19 R 5.1394 9.0429 122.3653 54.2754 34.5025 174.3534 20 A 5.4449 8.7849 122.9963 50.7800 22.2218 175.9044 21 T 5.1159 9.0988 116.2543 61.7954 72.9071 172.7818 22 A 5.2315 8.8196 127.5264 50.3264 21.4566 176.1851 23 I 4.1270 8.8057 123.3525 59.7542 39.2460 174.9964 24 I 4.7208 8.1118 128.6418 59.4227 39.7623 175.0575 25 E 4.5607 8.7752 127.8195 55.6130 29.9330 176.5466 26 M 4.4743 8.8087 124.6366 53.1104 33.8238 175.6705 27 P 4.1994 0.0000 0.0000 65.9969 31.3580 177.4830 28 D 4.6966 8.9973 114.1758 52.8250 41.1245 176.8040 29 G 3.9962 6.8311 108.1212 44.4384 0.0000 171.6496 30 V 4.3369 7.9264 120.6021 61.9757 32.6234 175.7883 31 L 4.5851 8.6141 131.0275 55.5316 42.4574 176.4441 32 V 4.9417 8.9739 118.8957 59.8573 36.2783 174.5575 33 T 5.3495 9.3214 111.9586 60.0975 72.7438 172.5561 34 A 4.8161 9.0409 124.6308 50.4075 21.6724 177.0950 35 S 4.6033 8.6630 115.5665 58.6498 64.2755 174.5223 *39 R 4.3085 7.6272 118.9294 56.1613 31.1845 175.0330 40 Y 4.5845 8.4992 119.7148 58.2440 39.3787 174.1353 41 N 5.3721 9.2458 119.8526 51.8362 43.2846 173.5222 42 L 4.4016 8.5607 122.7361 54.0094 42.4822 175.5891 43 P 4.4278 0.0000 0.0000 62.8075 32.7222 177.0820 44 G 4.2150 7.7535 107.7160 46.6983 0.0000 171.0932 45 G 3.8490 7.1894 107.2791 45.2882 0.0000 171.8371 46 K 4.6702 8.4816 120.2763 55.8390 32.9432 176.8307 47 A 4.4530 8.6582 129.2117 51.8503 19.3402 177.2515 48 N 4.6850 9.8808 119.4467 52.2889 40.3742 175.2490 49 R 4.0849 8.4914 119.7015 58.1549 30.5203 177.8096 50 G 3.9165 8.9241 109.0935 45.3460 0.0000 172.6386 51 E 4.6984 7.8935 121.3848 53.7275 31.5221 175.4202 52 L 4.3185 8.6791 126.4213 54.6522 43.6668 178.4743 53 R 3.9546 8.6241 120.6251 59.5358 29.5107 179.5756 54 S 3.6691 8.0132 113.5670 61.0027 63.2409 176.5658 55 Q 3.8910 7.8274 121.1757 58.8126 28.5764 178.0657 56 A 4.1915 8.1105 123.3187 54.3182 18.2587 179.3698 57 L 3.8089 8.1165 119.2255 58.4086 42.2701 179.2737 58 I 3.5999 7.2082 118.7127 64.2711 36.9658 178.3365 59 R 3.8431 7.7518 118.9667 59.6545 29.8726 178.5058 60 E 3.9504 8.4815 118.6736 59.2993 29.3722 179.3308 61 I 3.6607 7.9538 120.1233 64.2611 37.0808 178.3023 62 R 4.1863 7.7527 120.4542 58.8435 29.7037 177.8482 63 E 3.8887 8.0064 117.6163 59.7157 29.6721 178.4549 64 E 4.2137 8.3513 117.3204 58.3660 29.9923 177.6169 65 T 4.9525 7.7071 106.0138 59.1497 70.3208 175.7549 66 G 4.0119 8.4169 110.2564 45.3757 0.0000 174.0152 67 L 4.0397 7.6666 120.6207 54.6430 42.1364 176.4626 68 R 4.5851 8.2413 121.7385 54.2972 30.6258 175.9844 69 I 4.1183 8.2216 125.1214 61.1709 37.6272 175.8191 70 N 4.8301 8.4332 122.6045 53.9617 38.9708 175.6703 71 S 4.8917 7.8079 114.4937 57.1866 67.5386 173.0415 72 M 5.2860 8.5222 119.7049 53.8575 34.4918 173.8442 73 L 4.7891 9.1801 122.8169 53.1489 45.1944 174.9261 74 Y 4.0257 9.0556 128.3533 58.5333 38.7202 174.9400 75 L 4.2783 7.8392 127.2993 55.3266 43.0298 176.4507 76 F 4.3461 5.9621 110.6113 56.5532 40.6057 171.6316 77 D 5.4739 9.0771 118.6867 53.3653 42.9144 176.1400 78 H 4.9987 9.3941 121.4115 54.6715 32.7846 171.9919 79 I 5.0738 8.4586 119.6755 59.7240 39.4939 174.9209 80 T 4.8171 8.6427 113.6852 59.4080 71.7080 172.6435 81 P 3.9687 0.0000 0.0000 64.7662 31.6791 177.3831 82 F 4.6800 8.0456 115.8630 57.4722 41.0868 174.9404 83 N 5.6173 8.3370 116.1174 51.2383 42.9888 173.7605 84 A 4.9052 9.2502 124.5085 50.7863 21.0456 175.2024 85 H 5.1809 9.4745 120.1643 55.5569 30.9871 174.8866 86 K 4.8957 8.9072 121.9688 54.9986 34.3947 175.4808 87 V 4.6676 8.3629 124.6559 61.2442 33.9868 173.9688 88 Y 5.0994 8.6535 124.2719 56.0365 42.3651 174.0852 89 L 4.7840 8.8129 125.8255 54.5727 43.3921 175.1013 90 C 5.3928 8.8534 123.9267 58.0213 31.3582 173.3681 91 I 4.6240 8.6754 122.9226 59.6068 39.2310 174.9278 92 A 4.8645 8.6494 130.2486 51.5246 22.2213 175.9018 93 Q 4.6387 8.7035 116.2514 54.6720 29.1221 176.7355 94 G 4.3493 7.8520 109.3079 44.7875 0.0000 172.5499 95 Q 4.5965 8.2905 117.8659 53.2208 30.4659 174.1000 96 P 4.7668 0.0000 0.0000 63.7374 32.7477 176.2906 97 K 4.8439 8.7567 123.0753 52.8733 36.5005 174.7370 98 P 4.6457 0.0000 0.0000 63.0036 31.8941 175.4995 99 Q 4.5751 8.6023 121.9084 55.7811 33.3484 175.0444 100 N 4.3612 8.5421 123.2119 55.3846 37.4510 177.0375 101 E 4.1477 8.6813 122.4997 57.9729 30.1833 174.9889 102 I 4.4296 8.3184 123.6264 62.2860 37.7733 176.5916 103 E 4.4028 8.9449 125.9179 58.4534 31.1171 173.7170 104 R 4.9959 8.2885 119.4521 54.7504 33.9385 176.5237 105 I 5.3661 8.3718 113.1232 59.7566 41.2587 173.9983 106 A 4.5396 8.6983 123.6482 51.4734 22.9649 174.6250 107 L 5.1132 8.2417 116.3997 53.1196 45.2165 176.6909 108 V 4.3445 8.9145 125.6281 62.0671 33.2930 176.9933 109 S 4.5176 8.8217 123.5496 58.9853 63.4589 170.8337 110 S 4.7423 7.3828 110.8541 57.3654 64.9380 173.9185 111 P 4.4485 0.0000 0.0000 64.7696 31.2202 176.8413 112 D 4.8333 7.6433 117.2475 54.0497 40.9263 176.5956 113 T 4.0018 7.5711 113.9016 62.3605 67.6898 174.1414 114 D 4.4697 8.5112 125.6225 56.8623 41.2636 177.0281 115 M 4.1571 7.6444 118.4750 55.6842 33.0071 175.9771 116 D 4.7366 8.4629 124.2752 53.6378 40.3762 174.1857 117 L 4.9917 7.9952 122.1273 52.9768 43.4620 176.1002 118 F 4.0653 9.3865 125.7458 58.8812 40.1683 176.1154 119 V 3.4887 7.5739 126.0725 65.3698 30.8917 178.4771 120 E 4.1590 8.2600 119.5458 58.5721 29.4455 179.3435 121 G 3.8618 8.5433 106.6693 47.3295 0.0000 175.5047 122 R 3.9440 8.3187 121.2395 58.9032 30.0101 178.3543 123 A 4.0297 8.2641 120.7630 55.3577 18.3198 179.7414 124 I 3.8280 8.0261 118.4633 64.5618 37.0944 178.7394 125 L 4.1681 8.0260 119.6593 57.6814 41.3919 179.7975 126 R 3.9299 8.1212 118.3210 59.2548 29.9695 179.0641 127 R 3.7453 7.8456 118.2388 59.4250 29.9357 177.8564 128 Y 4.3018 8.5443 119.4134 60.7131 38.5752 177.8362 129 A 3.7641 8.1623 120.9018 55.1168 18.7626 179.5611 130 R 3.9224 7.8318 116.3468 59.3654 30.2035 178.9644 131 L 4.0090 7.9149 120.1190 58.2623 41.8371 178.7394 132 R 3.6994 7.5842 117.6619 59.0782 29.8810 177.1603 133 N 4.6519 7.6526 113.3814 52.3726 39.2907 175.2716 134 E 4.1070 7.6827 122.1249 56.2515 30.2162 176.5410 135 E 4.5838 8.4155 122.6622 55.1014 28.5387 175.5237 136 T 4.7157 7.3995 116.9989 59.6887 73.8697 174.4270 137 A 3.9637 8.5039 122.5650 55.1186 18.2799 179.8746 138 K 3.9769 8.0563 117.7633 59.6423 32.3625 178.9607 139 G 3.8233 8.0159 107.3308 47.2627 0.0000 175.4294 140 E 3.9450 8.5407 120.8730 59.0372 29.4767 179.1725 141 A 3.9871 8.1825 120.9456 55.0525 18.3854 179.2984 142 L 3.9322 8.3338 119.1063 58.6562 42.2295 179.5606 143 R 3.9265 8.3291 117.8851 59.1179 29.9105 178.9934 144 A 4.0420 8.2830 120.8727 55.0040 18.3258 179.7143 145 L 3.9764 8.1965 117.6955 57.9033 41.6154 179.5689 146 L 4.1391 8.2933 119.2506 57.7898 41.4844 179.8372 147 G 3.6241 8.2673 105.5773 47.5986 0.0000 175.2110 148 L 3.9980 8.1115 122.8222 58.0224 42.0475 178.9045 149 A 4.0205 8.1737 120.4303 55.3451 18.2781 179.7261 150 R 3.8769 8.3423 116.7720 59.6492 30.1808 178.6654 151 Y 4.0973 8.3514 119.3894 60.7138 38.7778 178.1500 152 I 3.5437 8.1676 120.7059 64.3133 37.2301 178.2933 153 A 3.9443 8.1606 121.6998 54.7985 18.1591 179.5594 154 K 3.7561 8.0937 118.2056 59.6696 32.0740 179.3192 155 V 3.3243 7.0646 111.0491 64.4713 31.7545 177.8053 156 D 4.4796 8.0417 120.7947 58.3675 40.5358 179.5145 157 E 4.1025 8.4309 117.7479 61.1907 29.6129 181.2808 158 G 3.8555 7.6172 104.3896 48.1689 0.0000 173.3001 159 H 4.5345 7.8201 121.8692 55.8515 28.7841 175.0819 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 12 L 8.17 3.79 0.00 1.55 1.49 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.49 0.00 2.48 2.25 0.00 3.33 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 14 S 9.26 4.30 0.00 3.89 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 15 D 7.14 4.55 0.00 2.70 2.52 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 16 L 8.26 4.81 0.00 1.54 1.62 0.98 0.73 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 17 A 8.70 4.31 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 18 R 8.52 4.71 0.00 1.79 1.89 0.00 3.08 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 19 R 9.04 5.14 0.00 1.46 1.70 0.00 3.15 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 20 A 8.78 5.44 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 21 T 9.10 5.12 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 1.20 0.00 0.00 22 A 8.82 5.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.81 4.13 1.51 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.07 0.11 0.00 0.00 24 I 8.11 4.72 1.84 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 1.32 0.71 0.90 0.00 0.00 25 E 8.78 4.56 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 26 M 8.81 4.47 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 27 P 0.00 4.20 0.00 2.03 2.13 0.00 3.66 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 2.02 2.12 0.00 28 D 9.00 4.70 0.00 2.65 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 29 G 6.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.93 4.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.91 0.00 0.00 31 L 8.61 4.59 0.00 1.66 1.55 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.97 4.94 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 0.72 0.00 0.00 0.81 0.00 0.00 33 T 9.32 5.35 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 1.25 0.00 0.00 34 A 9.04 4.82 0.51 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 35 S 8.66 4.60 0.00 3.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 R 7.63 4.31 0.00 1.86 2.08 0.00 3.28 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 40 Y 8.50 4.58 0.00 2.97 2.87 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 41 N 9.25 5.37 0.00 2.72 2.58 0.00 0.00 7.30 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 42 L 8.56 4.40 0.00 1.58 1.72 0.90 1.05 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 P 0.00 4.43 0.00 2.11 2.18 0.00 3.92 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 44 G 7.75 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 0.00 0.00 0.00 0.00 45 G 7.19 3.85 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 0.00 0.00 0.00 46 K 8.48 4.67 0.00 1.77 1.70 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.52 7.81 47 A 8.66 4.45 1.27 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 0.00 0.00 0.00 48 N 9.88 4.69 0.00 2.65 2.73 0.00 0.00 6.86 8.23 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 49 R 8.49 4.08 0.00 1.79 1.88 0.00 3.26 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 50 G 8.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.89 4.70 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 52 L 8.68 4.32 0.00 1.73 1.57 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.62 3.95 0.00 1.97 2.19 0.00 3.28 0.00 0.00 3.55 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 54 S 8.01 3.67 0.00 3.88 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 55 Q 7.83 3.89 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 56 A 8.11 4.19 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 57 L 8.12 3.81 0.00 1.55 1.34 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.21 3.60 1.81 0.00 0.00 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 1.33 0.96 0.87 0.00 0.00 59 R 7.75 3.84 0.00 1.88 2.05 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 60 E 8.48 3.95 0.00 2.03 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 2.30 2.53 0.00 61 I 7.95 3.66 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 0.89 0.00 0.00 62 R 7.75 4.19 0.00 1.99 2.02 0.00 3.14 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 63 E 8.01 3.89 0.00 2.15 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 2.32 2.50 0.00 64 E 8.35 4.21 0.00 1.95 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 2.33 2.43 0.00 65 T 7.71 4.95 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 66 G 8.42 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 0.00 0.00 0.00 67 L 7.67 4.04 0.00 1.74 1.59 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.24 4.59 0.00 1.76 1.86 0.00 3.20 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 69 I 8.22 4.12 1.82 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 1.44 0.44 0.90 0.00 0.00 70 N 8.43 4.83 0.00 2.67 2.93 0.00 0.00 6.82 8.98 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 71 S 7.81 4.89 0.00 3.76 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 72 M 8.52 5.29 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 73 L 9.18 4.79 0.00 1.76 1.58 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.06 4.03 0.00 3.03 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 75 L 7.84 4.28 0.00 0.72 1.62 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 76 F 5.96 4.35 0.00 2.99 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 77 D 9.08 5.47 0.00 2.73 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 78 H 9.39 5.00 0.00 3.48 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.46 5.07 1.90 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 1.40 0.78 0.96 0.00 0.00 80 T 8.64 4.82 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 81 P 0.00 3.97 0.00 2.02 2.02 0.00 3.84 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 2.13 2.13 0.00 82 F 8.05 4.68 0.00 2.94 3.10 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 83 N 8.34 5.62 0.00 2.74 2.60 0.00 0.00 6.59 6.92 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 84 A 9.25 4.91 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 85 H 9.47 5.18 0.00 3.28 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.91 4.90 0.00 1.86 1.47 0.00 1.66 0.00 0.00 1.33 0.00 0.00 2.71 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.70 1.42 7.81 87 V 8.36 4.67 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 0.42 0.00 0.00 0.75 0.00 0.00 88 Y 8.65 5.10 0.00 2.84 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 89 L 8.81 4.78 0.00 1.81 1.59 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.85 5.39 0.00 2.84 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 91 I 8.68 4.62 1.89 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 1.19 1.49 0.93 0.00 0.00 92 A 8.65 4.86 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 93 Q 8.70 4.64 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 94 G 7.85 4.35 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 0.00 95 Q 8.29 4.60 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 96 P 0.00 4.77 0.00 2.08 2.05 0.00 3.76 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 1.99 1.97 0.00 97 K 8.76 4.84 0.00 1.43 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.26 7.81 98 P 0.00 4.65 0.00 2.07 2.19 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 99 Q 8.60 4.58 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 5.76 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 100 N 8.54 4.36 0.00 2.85 2.16 0.00 0.00 6.86 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 0.00 101 E 8.68 4.15 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.90 0.00 102 I 8.32 4.43 2.16 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 1.14 1.08 0.92 0.00 0.00 103 E 8.94 4.40 0.00 1.74 1.84 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 2.16 1.87 0.00 104 R 8.29 5.00 0.00 1.45 1.75 0.00 3.18 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 105 I 8.37 5.37 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.17 0.96 0.00 0.00 106 A 8.70 4.54 0.80 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 0.00 107 L 8.24 5.11 0.00 1.44 1.50 0.90 0.76 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 0.00 108 V 8.91 4.34 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 1.04 0.00 0.00 0.87 0.00 0.00 109 S 8.82 4.52 0.00 3.66 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 0.00 110 S 7.38 4.74 0.00 3.96 3.95 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 0.00 111 P 0.00 4.45 0.00 2.08 2.26 0.00 3.68 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 2.05 2.27 0.00 112 D 7.64 4.83 0.00 2.69 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 0.00 113 T 7.57 4.00 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 1.21 0.00 0.00 114 D 8.51 4.47 0.00 2.70 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 0.00 115 M 7.64 4.16 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 116 D 8.46 4.74 0.00 2.84 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 0.00 117 L 8.00 4.99 0.00 1.62 1.67 0.96 1.03 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 0.00 118 F 9.39 4.07 0.00 3.19 3.17 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 0.00 119 V 7.57 3.49 1.81 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 0.09 0.00 0.00 0.86 0.00 0.00 120 E 8.26 4.16 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.70 0.00 121 G 8.54 3.86 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 0.00 122 R 8.32 3.94 0.00 1.92 2.07 0.00 3.11 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 123 A 8.26 4.03 1.45 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 0.00 0.00 124 I 8.03 3.83 2.01 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.36 1.01 0.00 0.00 125 L 8.03 4.17 0.00 1.93 1.81 0.95 0.87 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 0.00 126 R 8.12 3.93 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 127 R 7.85 3.75 0.00 1.62 1.74 0.00 2.75 0.00 0.00 2.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 128 Y 8.54 4.30 0.00 3.27 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 0.00 129 A 8.16 3.76 1.38 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 0.00 0.00 0.00 130 R 7.83 3.92 0.00 1.99 1.91 0.00 3.06 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 131 L 7.91 4.01 0.00 1.87 1.78 1.01 0.96 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 0.00 132 R 7.58 3.70 0.00 1.39 1.84 0.00 2.91 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 133 N 7.65 4.65 0.00 2.80 2.79 0.00 0.00 7.05 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 0.00 134 E 7.68 4.11 0.00 2.14 1.84 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 2.29 2.42 0.00 135 E 8.42 4.58 0.00 2.06 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 2.23 2.28 0.00 136 T 7.40 4.72 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 1.20 0.00 0.00 137 A 8.50 3.96 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 0.00 138 K 8.06 3.98 0.00 1.86 1.83 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.52 7.81 139 G 8.02 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.54 3.94 0.00 2.18 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 2.33 2.50 0.00 141 A 8.18 3.99 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 0.00 142 L 8.33 3.93 0.00 1.87 1.92 0.92 1.00 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 0.00 143 R 8.33 3.93 0.00 1.88 1.97 0.00 3.17 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 144 A 8.28 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.20 3.98 0.00 1.89 1.77 0.97 0.48 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 0.00 146 L 8.29 4.14 0.00 1.88 1.77 1.02 0.87 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 0.00 147 G 8.27 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 0.00 0.00 0.00 148 L 8.11 4.00 0.00 1.80 1.94 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.17 4.02 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 0.00 150 R 8.34 3.88 0.00 2.14 2.04 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 151 Y 8.35 4.10 0.00 3.05 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 0.00 152 I 8.17 3.54 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.91 0.90 0.00 0.00 153 A 8.16 3.94 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 0.00 154 K 8.09 3.76 0.00 1.83 1.83 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.43 7.81 155 V 7.06 3.32 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 0.11 0.00 0.00 0.74 0.00 0.00 156 D 8.04 4.48 0.00 2.77 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 0.00 157 E 8.43 4.10 0.00 2.02 1.89 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 2.27 2.22 0.00 158 G 7.62 3.86 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 0.00 159 H 7.82 4.53 0.00 3.15 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.91 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.