NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4939 8.3231 115.4233 57.7113 64.7698 173.9542 18 G 3.8632 8.8402 107.4902 47.4601 0.0000 174.1741 19 L 4.2822 8.2641 123.1727 57.5107 42.6752 176.5678 20 K 4.4923 8.1496 118.3765 57.9611 32.0119 178.5791 21 K 4.1533 7.9415 117.3594 59.6277 32.0366 178.2829 22 F 4.3932 8.7681 116.7847 58.1763 40.6270 175.4135 23 F 4.9555 8.1289 117.3008 55.3539 39.0270 174.1409 24 P 4.1599 0.0000 0.0000 64.6388 31.6817 177.3944 25 Y 4.6863 7.6823 113.9755 57.5220 39.5438 175.3602 26 S 4.8665 7.8765 115.1095 56.8905 65.8412 173.8410 27 T 4.5238 8.5083 113.3909 61.7913 70.5423 173.6751 28 N 5.5553 8.1064 119.0736 51.5266 42.6784 173.6939 29 V 4.6098 8.6489 114.0174 59.4625 36.6268 175.0337 30 L 4.8393 8.8046 122.5764 54.7495 43.2720 176.7843 31 K 4.2715 9.3582 124.0852 57.8530 34.7362 175.5822 32 G 3.7817 8.6493 117.8606 44.3168 0.0000 170.9170 33 A 3.8504 8.1013 119.5903 55.0053 18.7207 179.1021 34 A 4.7579 7.5074 117.7757 51.4581 19.9633 175.5113 35 A 5.0606 7.7272 121.2181 51.6169 22.1314 176.6655 36 D 5.4491 8.5610 118.2188 51.7199 43.0035 174.6017 37 I 4.8352 8.8608 112.2452 58.7299 41.5222 174.3454 38 A 4.6261 8.5605 125.0731 51.2284 19.0724 176.9674 39 L 3.8032 8.8004 124.3844 55.1019 42.3573 175.5060 40 P 4.5856 0.0000 0.0000 62.1946 32.4276 176.5171 41 S 4.2440 8.6181 114.4783 59.4117 63.7279 174.1503 42 L 3.6113 8.0918 119.2761 54.9111 39.1510 174.1289 43 A 4.3509 8.0788 119.4798 53.6050 18.8687 179.3235 44 G 4.1422 9.9189 109.6471 45.7330 0.0000 173.9958 45 K 4.6628 7.6930 119.4399 55.7824 34.6393 175.5239 46 T 4.8427 8.4447 118.3292 62.1151 70.7383 173.9689 47 V 4.6585 8.7613 126.9033 61.1146 34.1973 174.0329 48 F 5.2729 9.0992 127.4258 56.0575 41.0468 174.8322 49 F 4.6962 9.3904 124.0198 56.5679 40.4915 174.2345 50 Y 5.1132 8.9219 126.4894 56.0137 40.7392 174.3465 51 F 4.9308 9.0807 127.3192 55.9775 40.4088 175.3148 52 S 4.4541 7.9925 116.6380 57.7880 64.5221 172.3611 53 A 4.4091 7.5261 121.8604 50.5922 21.1705 177.7379 54 S 3.7657 8.4444 115.0056 60.6704 63.1032 176.0560 55 W 4.5905 6.9212 114.6143 56.3613 28.0409 175.4665 56 C 4.7037 7.3712 119.8052 57.1400 31.8747 172.5216 57 P 4.3179 0.0000 0.0000 65.1829 31.0542 176.9201 58 P 4.3699 0.0000 0.0000 65.8622 31.0977 178.2177 59 C 4.3108 8.0678 116.2699 62.9135 27.9265 175.8044 60 R 4.0726 7.8824 118.6954 59.3503 29.6775 178.0478 61 A 4.2287 7.9383 119.9992 54.7468 18.8050 178.9653 62 F 4.7379 8.4074 120.5383 60.6499 39.5526 177.4698 63 T 3.8338 8.4422 116.0867 66.6214 68.3928 174.4738 64 P 4.3269 0.0000 0.0000 65.6821 30.7908 178.7384 65 Q 4.0139 7.7427 116.5186 58.6193 28.6058 178.2658 66 L 3.7477 7.3448 121.4962 57.8850 41.9709 178.9138 67 I 3.8823 8.3380 120.1529 64.5511 37.1068 178.0706 68 D 4.3605 8.1756 119.5549 57.4640 40.7936 178.5923 69 F 4.0773 8.2935 121.0520 61.3928 39.2598 176.4319 70 Y 4.4204 8.8610 119.5269 61.0303 38.5170 178.4246 71 K 3.8705 8.4019 117.7689 58.7077 32.2279 178.3277 72 A 4.2936 7.5666 118.3766 52.7126 19.5734 177.1568 73 H 4.5930 7.8317 110.7855 54.8114 31.9283 175.3178 74 A 2.0000 7.7346 123.3333 54.9277 18.4272 179.7288 75 E 3.7213 7.7659 114.0728 59.3031 30.0164 179.3124 76 K 3.7810 7.9642 117.9512 59.3620 32.1351 177.4295 77 K 4.1224 8.2386 115.1734 55.8555 33.1209 175.8716 78 N 4.0908 7.9789 118.0113 54.5861 37.3721 171.9382 79 F 5.7038 7.9862 112.2121 55.3979 42.2411 174.7940 80 E 5.0746 9.6884 119.7217 54.6152 33.9995 174.0825 81 V 4.9431 9.1902 121.4737 61.2693 35.2247 173.7410 82 M 5.2444 9.0526 126.5155 53.5900 35.9197 173.6629 83 L 4.7040 9.1930 128.8770 54.9196 44.0132 175.3522 84 I 4.7422 8.6595 127.7529 59.6069 39.2120 174.4638 85 S 5.0659 8.9565 122.7085 57.2870 63.2640 173.5612 86 W 5.2523 8.9467 126.7834 56.8873 29.5220 176.5277 87 D 4.9280 8.6758 120.0695 54.7389 40.7821 176.5815 88 E 4.4702 8.9894 120.3565 58.4561 30.3377 177.2325 89 S 4.7918 7.6869 111.9973 55.8032 67.1590 174.7116 90 A 3.0153 8.3902 123.9164 54.9359 18.1024 179.8387 91 E 3.9038 7.9997 116.5464 59.7982 29.6758 179.1618 92 D 4.3991 7.9532 118.5876 57.1565 40.8406 178.5597 93 F 4.1687 8.0762 121.1497 61.1920 39.2549 176.9328 94 K 3.9499 8.3240 119.2153 59.9569 31.8060 178.5049 95 D 4.3864 7.8730 117.4565 57.1565 40.4938 177.9550 96 Y 4.2796 7.9669 120.3282 60.8930 38.9093 177.0040 97 Y 3.9690 8.2217 120.3359 60.0063 38.5636 177.2256 98 A 3.6113 7.3691 121.9542 54.4215 18.5532 178.0150 99 K 4.2588 7.1131 112.7757 56.2127 32.1315 176.1298 100 M 3.9895 7.1767 118.4957 52.6659 34.4994 174.1211 101 P 4.2725 0.0000 0.0000 62.6599 32.6261 175.8516 102 W 4.8568 6.0844 116.9830 55.5893 30.3380 175.1695 103 L 5.0521 8.3531 117.6527 54.7455 43.5594 175.6049 104 A 5.1797 8.4424 120.3275 50.3891 22.8935 175.4390 105 L 4.4704 8.6635 124.0249 54.0173 43.0408 175.2636 106 P 4.2523 0.0000 0.0000 62.8739 31.9587 176.8739 107 F 3.6355 8.2002 124.6373 61.1664 39.2885 176.1805 108 E 3.9317 8.1296 118.5485 59.1447 29.8073 177.7835 109 D 4.5737 7.7093 120.3530 53.3006 37.9985 176.7653 110 R 3.8192 7.4325 122.4893 58.6640 30.7116 178.5630 111 K 3.9789 7.8210 118.2143 59.1885 31.8493 179.4206 112 G 4.0876 8.8231 107.8370 47.4000 0.0000 175.5472 113 M 4.2908 7.9805 120.2307 58.6439 32.1928 178.2402 114 E 4.0559 8.4208 118.9102 59.1781 29.5355 178.9695 115 F 4.1433 8.5840 120.8082 61.5465 39.5153 177.3047 116 L 4.1004 8.1837 118.2813 57.9351 41.3522 179.5695 117 T 4.0021 8.5502 116.0370 67.0079 68.4569 176.8333 118 T 3.9184 8.3534 118.0205 66.5352 68.2686 176.9806 119 G 3.2393 7.8241 106.6652 47.3623 0.0000 174.7994 120 F 4.4764 8.0549 116.6935 55.9138 40.3288 174.9972 121 D 4.1864 7.6028 117.6546 55.0184 39.7103 174.5146 122 V 3.7676 8.0106 118.6136 62.4149 31.7381 175.3632 123 K 4.5519 8.3341 126.5389 56.7275 33.1381 175.9660 124 S 4.7643 7.3026 111.4069 57.7690 65.0237 173.8728 125 I 4.4483 7.8317 113.6077 57.7954 40.2377 173.1452 126 P 4.5608 0.0000 0.0000 63.1251 32.5794 175.7933 127 T 4.5831 8.4628 116.5121 61.9267 72.7329 172.7046 128 L 5.3215 8.6927 127.9057 53.3248 44.7243 175.5063 129 V 4.5531 8.9817 126.1452 61.0562 35.0167 174.0824 130 G 3.9707 8.9570 114.9024 44.5009 0.0000 172.8279 131 V 5.0655 8.7526 117.7076 59.2295 36.1673 174.5553 132 E 4.4990 9.0908 124.7733 55.4373 29.7313 176.8062 133 A 4.0842 8.5893 130.4633 55.5203 18.6460 178.6010 134 D 4.4693 8.4292 115.2034 57.0113 41.1618 178.2094 135 S 4.4348 8.1653 111.1297 57.8289 64.2261 175.1968 136 G 4.1869 8.8102 108.6912 45.4577 0.0000 173.0198 137 N 4.7623 7.9190 117.1214 52.5724 40.1037 174.6280 138 I 4.3228 8.3171 123.5019 61.9444 37.5842 175.9526 139 I 4.0470 9.2775 129.0314 63.9331 38.2345 175.8600 140 T 4.9707 7.7440 115.1798 60.6759 70.8591 173.6712 141 T 4.5570 8.7573 115.7357 61.4512 69.6232 174.1217 142 Q 4.4951 8.0782 118.8664 55.9615 29.1955 177.2690 143 A 3.7222 8.1660 123.2483 55.6383 18.0689 180.2198 144 R 3.4540 7.7225 115.9627 59.4999 30.3963 178.0889 145 T 4.0214 7.4852 114.0028 65.0074 68.9387 176.0695 146 M 3.8477 7.1207 119.6753 56.0497 32.0817 178.3771 147 V 3.3773 7.4079 118.3588 65.3484 31.6264 177.0546 148 V 4.0620 7.4526 110.3224 62.6600 32.3015 177.1838 149 K 4.1462 7.2834 116.9546 57.8125 32.9663 176.5813 150 D 5.0796 8.2798 117.6137 51.8830 40.9785 174.2428 151 P 4.5403 0.0000 0.0000 65.9487 31.9887 177.9222 152 E 4.1533 8.3714 114.1315 56.0224 30.2308 175.7423 153 A 4.2230 8.2605 121.4171 53.3140 16.2067 178.0495 154 K 4.1903 9.8678 124.2094 58.6371 33.1065 177.1239 155 D 4.9789 9.3686 116.8288 53.5886 41.6625 175.6208 156 F 2.4347 7.8680 121.5650 57.2461 39.6538 172.3574 157 P 2.9700 0.0000 0.0000 62.0886 31.7394 176.1435 158 W 3.6813 7.1566 115.4913 57.7709 26.9846 173.8141 159 P 4.5871 0.0000 0.0000 63.1487 31.9000 175.9868 160 N 4.5630 8.3443 121.7259 52.7606 39.4114 175.5078 *161 V 3.9054 8.3602 115.0029 61.6443 32.4174 171.2894 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 17 S 8.32 4.49 0.00 4.05 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 18 G 8.84 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 19 L 8.26 4.28 0.00 1.86 1.81 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.15 4.49 0.00 1.92 1.89 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.58 7.81 21 K 7.94 4.15 0.00 1.97 1.84 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.79 1.67 7.81 22 F 8.77 4.39 0.00 3.03 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 23 F 8.13 4.96 0.00 3.15 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 24 P 0.00 4.16 0.00 1.02 1.48 0.00 3.38 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.44 0.00 25 Y 7.68 4.69 0.00 3.30 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 26 S 7.88 4.87 0.00 4.10 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 27 T 8.51 4.52 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 28 N 8.11 5.56 0.00 2.64 2.71 0.00 0.00 6.91 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 29 V 8.65 4.61 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 0.53 0.00 0.00 0.91 0.00 0.00 30 L 8.80 4.84 0.00 1.60 1.79 1.17 0.88 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 31 K 9.36 4.27 0.00 1.90 1.70 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.49 7.81 32 G 8.65 3.78 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 0.00 0.00 0.00 33 A 8.10 3.85 1.22 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 34 A 7.51 4.76 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 35 A 7.73 5.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.56 5.45 0.00 2.75 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 37 I 8.86 4.84 1.87 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 1.34 1.13 0.93 0.00 0.00 38 A 8.56 4.63 1.24 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 0.00 0.00 39 L 8.80 3.80 0.00 1.56 1.57 0.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.59 0.00 2.21 2.01 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 41 S 8.62 4.24 0.00 4.03 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 42 L 8.09 3.61 0.00 1.86 1.76 0.91 1.01 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 43 A 8.08 4.35 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 44 G 9.92 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 0.00 0.00 0.00 0.00 45 K 7.69 4.66 0.00 1.97 1.77 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.72 1.43 7.81 46 T 8.44 4.84 4.47 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 0.81 0.00 0.00 47 V 8.76 4.66 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 0.50 0.00 0.00 0.90 0.00 0.00 48 F 9.10 5.27 0.00 3.12 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 0.00 49 F 9.39 4.70 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.92 5.11 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.08 4.93 0.00 2.67 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.99 4.45 0.00 2.72 3.27 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 53 A 7.53 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.44 3.77 0.00 3.90 3.78 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 55 W 6.92 4.59 0.00 3.47 3.18 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 56 C 7.37 4.70 0.00 2.40 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.32 0.00 2.25 2.14 0.00 3.74 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 58 P 0.00 4.37 0.00 2.26 2.33 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 59 C 8.07 4.31 0.00 3.21 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 60 R 7.88 4.07 0.00 2.02 2.21 0.00 3.31 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 61 A 7.94 4.23 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.41 4.74 0.00 3.11 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 63 T 8.44 3.83 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 1.28 0.00 0.00 64 P 0.00 4.33 0.00 2.14 2.08 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 65 Q 7.74 4.01 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 66 L 7.34 3.75 0.00 0.51 1.47 0.51 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.34 3.88 1.94 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.40 0.80 0.00 0.00 68 D 8.18 4.36 0.00 2.92 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 69 F 8.29 4.08 0.00 3.29 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 70 Y 8.86 4.42 0.00 3.64 3.43 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 71 K 8.40 3.87 0.00 1.95 1.82 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.52 7.81 72 A 7.57 4.29 1.01 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 73 H 7.83 4.59 0.00 2.88 2.98 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.73 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.77 3.72 0.00 1.82 1.86 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 2.22 2.11 0.00 76 K 7.96 3.78 0.00 1.62 1.76 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.43 7.81 77 K 8.24 4.12 0.00 1.93 1.24 0.00 1.80 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.33 0.92 7.81 78 N 7.98 4.09 0.00 2.97 2.85 0.00 0.00 6.62 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 7.99 5.70 0.00 3.47 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.69 5.07 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 81 V 9.19 4.94 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 1.03 0.00 0.00 82 M 9.05 5.24 0.00 1.72 1.73 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 83 L 9.19 4.70 0.00 2.17 1.67 1.10 0.89 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 84 I 8.66 4.74 0.90 0.00 0.00 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 0.79 0.64 1.02 0.00 0.00 85 S 8.96 5.07 0.00 4.47 4.29 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 86 W 8.95 5.25 0.00 3.12 3.47 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 87 D 8.68 4.93 0.00 3.07 2.80 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 88 E 8.99 4.47 0.00 2.06 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 2.28 2.49 0.00 89 S 7.69 4.79 0.00 4.14 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 90 A 8.39 3.02 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 91 E 8.00 3.90 0.00 2.07 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 2.41 2.48 0.00 92 D 7.95 4.40 0.00 2.91 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 93 F 8.08 4.17 0.00 2.74 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 94 K 8.32 3.95 0.00 2.09 2.01 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.58 7.81 95 D 7.87 4.39 0.00 2.76 2.74 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 0.00 0.00 0.00 0.00 96 Y 7.97 4.28 0.00 3.11 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 97 Y 8.22 3.97 0.00 2.32 2.47 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 98 A 7.37 3.61 1.22 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 99 K 7.11 4.26 0.00 1.55 1.63 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.25 7.81 100 M 7.18 3.99 0.00 0.74 1.50 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 101 P 0.00 4.27 0.00 2.11 1.90 0.00 2.20 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.52 0.00 102 W 6.08 4.86 0.00 3.52 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.35 5.05 0.00 1.85 1.70 0.94 1.19 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 0.00 104 A 8.44 5.18 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.66 4.47 0.00 1.93 1.75 1.36 1.00 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 0.00 106 P 0.00 4.25 0.00 2.23 2.13 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.14 0.00 107 F 8.20 3.64 0.00 1.51 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 0.00 108 E 8.13 3.93 0.00 1.96 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 2.43 0.00 109 D 7.71 4.57 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 0.00 110 R 7.43 3.82 0.00 1.68 1.78 0.00 2.50 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 111 K 7.82 3.98 0.00 1.03 0.80 0.00 1.26 0.00 0.00 1.25 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.23 7.81 112 G 8.82 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 0.00 113 M 7.98 4.29 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 3.07 0.00 114 E 8.42 4.06 0.00 2.25 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 2.30 2.39 0.00 115 F 8.58 4.14 0.00 3.43 3.33 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 0.00 116 L 8.18 4.10 0.00 2.06 2.18 1.03 1.29 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 0.00 117 T 8.55 4.00 4.59 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 1.49 0.00 0.00 118 T 8.35 3.92 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 1.09 0.00 0.00 119 G 7.82 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 0.00 0.00 0.00 120 F 8.05 4.48 0.00 2.99 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 0.00 121 D 7.60 4.19 0.00 2.73 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 0.00 122 V 8.01 3.77 1.90 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 0.30 0.00 0.00 -0.15 0.00 0.00 123 K 8.33 4.55 0.00 1.81 1.89 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.61 7.81 124 S 7.30 4.76 0.00 3.97 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 0.00 125 I 7.83 4.45 1.48 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.49 -0.12 0.00 0.00 126 P 0.00 4.56 0.00 2.28 2.14 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.07 0.00 127 T 8.46 4.58 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 1.07 0.00 0.00 128 L 8.69 5.32 0.00 1.73 1.51 0.89 0.79 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 0.00 129 V 8.98 4.55 1.73 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 1.19 0.00 0.00 0.90 0.00 0.00 130 G 8.96 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 0.00 0.00 0.00 131 V 8.75 5.07 2.29 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 1.05 0.00 0.00 1.04 0.00 0.00 132 E 9.09 4.50 0.00 2.02 1.86 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 2.30 2.27 0.00 133 A 8.59 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.43 4.47 0.00 2.75 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 0.00 135 S 8.17 4.43 0.00 4.08 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 0.00 136 G 8.81 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 0.00 0.00 0.00 0.00 137 N 7.92 4.76 0.00 2.82 2.77 0.00 0.00 7.02 6.51 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 0.00 138 I 8.32 4.32 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.59 1.07 0.00 0.00 139 I 9.28 4.05 1.84 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 1.02 1.20 0.76 0.00 0.00 140 T 7.74 4.97 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 1.44 0.00 0.00 141 T 8.76 4.56 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 1.27 0.00 0.00 142 Q 8.08 4.50 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 143 A 8.17 3.72 1.46 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 0.00 0.00 0.00 144 R 7.72 3.45 0.00 1.54 1.68 0.00 3.09 0.00 0.00 2.85 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 145 T 7.49 4.02 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 1.07 0.00 0.00 146 M 7.12 3.85 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.31 0.00 147 V 7.41 3.38 2.10 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 0.64 0.00 0.00 0.35 0.00 0.00 148 V 7.45 4.06 2.10 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 0.95 0.00 0.00 0.90 0.00 0.00 149 K 7.28 4.15 0.00 1.69 1.78 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.38 7.81 150 D 8.28 5.08 0.00 2.71 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 0.00 151 P 0.00 4.54 0.00 2.18 2.24 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.31 0.00 152 E 8.37 4.15 0.00 2.03 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 2.36 2.29 0.00 153 A 8.26 4.22 1.01 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 0.00 154 K 9.87 4.19 0.00 1.77 2.07 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.46 7.81 155 D 9.37 4.98 0.00 3.14 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 0.00 156 F 7.87 2.43 0.00 2.32 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 0.00 157 P 0.00 2.97 0.00 1.48 0.49 0.00 3.64 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 1.56 1.57 0.00 158 W 7.16 3.68 0.00 3.56 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 0.00 159 P 0.00 4.59 0.00 2.16 2.01 0.00 3.74 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 160 N 8.34 4.56 0.00 2.83 2.99 0.00 0.00 6.87 8.38 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 *161 V 8.36 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.