NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4115 8.0433 120.5890 54.6576 43.4247 174.9918 2 I 4.6824 8.2781 124.7363 58.5605 39.8506 172.7529 3 L 4.8681 9.7541 131.8674 53.2999 44.6752 174.6630 4 Y 5.1685 8.9982 125.9424 58.2591 38.8402 174.5477 5 D 5.3596 10.0186 124.5078 52.6085 45.8854 173.6170 6 Y 5.4255 8.5391 122.4999 54.6339 41.4310 175.7423 7 F 3.9669 8.6618 121.6266 59.3256 37.8721 176.3824 8 R 4.0654 5.8400 117.3505 55.3588 30.5459 176.0926 9 S 4.3505 7.9285 112.6577 59.4509 63.4960 174.6709 10 T 4.0528 8.8018 125.9673 66.6116 68.3523 176.4178 11 A 3.9509 8.0165 122.2183 55.5131 18.4938 179.2590 12 C 4.0946 8.0952 115.1104 62.9612 28.0727 175.4791 13 Y 4.2391 8.0983 121.1357 61.0213 38.3143 178.3358 14 R 3.7963 7.8274 118.3675 59.5047 30.1537 179.1966 15 V 3.4948 7.5576 117.0539 66.0458 31.6780 177.9876 16 R 3.7979 8.4721 118.1364 59.4411 29.8936 179.0732 17 I 3.4796 8.0695 119.2926 64.1597 37.0906 178.1173 18 A 3.8650 7.7871 121.4459 55.2635 18.3340 179.3096 19 L 3.8087 7.8816 117.5166 58.2282 41.6197 179.6997 20 N 4.3707 7.9731 115.5522 56.5050 38.3246 177.4691 21 L 4.0075 7.7535 118.8375 57.3557 41.7739 178.8492 22 K 4.2773 7.8955 115.4241 55.3398 32.2831 176.8501 23 K 3.9076 7.9801 117.5704 57.0654 30.3891 175.1837 24 I 3.8296 7.4340 119.2110 60.8297 37.4303 176.0533 25 A 4.2552 8.5076 128.8187 52.4122 18.9311 175.8804 26 Y 5.2160 7.9901 119.1144 55.8136 41.2493 173.6091 27 E 4.6330 9.9287 119.2922 54.3749 32.7304 174.7313 28 K 5.0477 8.6501 123.5790 55.0587 34.0492 174.9068 29 I 4.4913 8.7103 129.5002 60.0593 38.5850 175.4266 30 E 4.9005 8.8018 126.3852 55.8494 31.3593 175.4851 31 V 4.5424 8.3826 122.2335 61.4411 33.8838 174.6719 32 H 4.9848 8.6986 123.9952 53.7117 32.0788 172.9626 33 L 4.2350 8.4191 125.4201 54.5080 42.8054 175.9267 34 V 4.3214 7.9483 123.9696 62.1653 33.7616 175.6160 35 N 4.0422 8.9648 123.2452 55.5170 37.2961 175.6219 *53 L 4.3903 7.7321 115.4960 53.4492 43.2213 182.4001 54 V 4.7920 7.3980 109.1800 59.4194 35.3725 173.3481 55 P 4.8281 0.0000 0.0000 63.0378 32.3393 175.7007 56 S 4.8549 8.8023 117.3866 56.6958 67.0692 172.4984 57 L 4.7084 8.6822 126.4274 53.4657 44.1088 174.3865 58 D 4.7101 9.4998 127.3681 53.1036 42.9057 175.0249 59 I 4.2299 8.3782 127.1833 59.0820 39.5341 175.7023 60 N 4.0452 9.6443 128.2104 54.2696 36.0618 175.5977 61 G 3.8591 8.7519 102.0923 46.0476 0.0000 173.2305 62 Q 4.4606 8.2833 120.0100 53.9281 29.8066 174.5892 63 I 4.6404 8.1952 124.4830 60.1956 38.5052 175.0121 64 L 4.7254 8.7250 129.3143 53.1708 44.5488 175.4557 65 S 4.9108 8.7050 119.8219 56.8998 66.6879 171.0003 66 Q 3.8063 8.7738 123.2121 56.0947 27.6329 174.1784 67 S 4.2287 8.5591 119.2039 58.9515 62.9511 176.2130 *69 A 4.2272 8.1820 125.0434 53.1859 20.4349 179.6028 70 I 3.7038 7.9944 116.8427 64.9699 37.1694 178.6912 71 I 3.7456 7.7186 120.1516 64.3775 36.9620 178.2541 72 D 4.3537 8.0767 119.3253 57.3869 40.6293 177.7110 73 Y 4.1596 8.4178 120.4685 61.0681 38.7506 178.3970 74 L 3.7979 8.0912 119.4788 57.9549 41.1785 179.4857 75 E 4.0246 8.2207 118.2351 58.6746 29.0827 178.7710 76 E 4.0030 7.5720 118.6288 58.6876 30.0918 177.8004 77 I 3.9132 7.5271 117.1771 62.4736 38.5007 175.7263 78 H 4.7745 7.8361 119.1585 54.4053 30.3483 171.5675 79 P 4.5290 0.0000 0.0000 63.5779 31.9510 177.1120 80 E 4.1298 7.0116 119.8195 55.7850 27.1492 173.4527 *82 P 4.3506 0.0000 0.0000 62.5197 32.8324 177.6588 83 L 4.4314 9.1886 120.7573 55.2324 42.2586 176.3437 84 L 5.1150 7.3776 117.4556 51.8376 45.3925 174.5200 85 P 4.5954 0.0000 0.0000 62.4831 32.0819 177.1307 86 K 4.0871 8.6260 119.7789 59.4059 32.2451 178.0015 87 D 4.3811 8.1246 117.5975 54.0345 41.7187 173.6459 88 P 4.3711 0.0000 0.0000 66.0494 31.6360 178.6062 89 F 4.1889 8.3420 115.2500 59.1603 39.1402 176.1352 *91 K 4.0454 8.1851 121.3629 56.1031 33.7106 177.7298 92 A 3.8925 7.8887 120.4180 55.2121 17.9231 179.6048 93 T 3.4516 7.5191 113.6339 66.8034 68.5736 176.4703 94 L 3.9653 7.4506 118.7602 57.5560 42.0131 179.0400 95 K 4.1257 7.9600 119.9367 59.0746 32.0824 179.5330 96 S 4.0875 8.1011 113.4825 58.6693 62.8425 175.9185 *98 A 4.4408 8.0565 127.3488 53.1519 20.3153 179.8755 99 L 4.0757 7.7448 115.7516 57.5583 41.6772 179.3140 100 I 3.9456 7.7113 120.1570 64.5988 36.8474 178.4500 101 V 3.4168 7.7308 116.6496 66.0881 31.7227 177.7021 102 A 4.1032 8.3016 119.4567 54.3123 18.2394 177.7486 103 C 4.4775 8.8994 114.7911 60.9283 30.0799 174.5756 104 D 4.4496 7.6187 116.2648 54.7579 40.7774 176.5658 *106 H 4.6951 8.1121 120.4639 55.7376 31.3918 173.7065 107 P 4.2509 0.0000 0.0000 65.1233 31.4190 178.6208 108 L 3.9866 7.6320 117.4062 57.0097 41.7535 177.3615 109 N 4.9308 7.6675 114.0676 52.6591 38.9760 174.3324 110 N 4.5903 7.5106 117.0011 53.1528 39.9026 175.3264 111 L 4.0127 8.8157 125.5939 58.6483 42.1278 179.7601 112 R 3.9832 7.9266 115.1792 58.9911 29.4778 178.8548 113 V 3.6116 7.8632 119.2873 65.4957 31.5296 177.9241 114 L 3.8055 7.8151 118.2823 58.0129 41.5030 179.1055 115 N 4.3330 8.1685 116.2492 56.3190 38.3780 177.4831 116 R 3.8322 7.8161 119.7843 59.1352 30.0300 178.5730 117 L 4.0798 7.7329 118.9526 57.8056 41.6122 179.6674 118 K 4.0920 7.9367 118.6600 59.1948 31.7295 179.3695 119 E 3.8894 8.0314 117.2073 59.5710 29.8931 178.5947 120 Q 3.8263 8.1478 119.8879 57.1334 29.1595 176.1156 121 F 4.7652 7.8435 114.9260 56.0491 40.6795 174.3306 122 N 4.2836 8.1850 116.8812 53.9888 36.3407 174.6651 123 A 4.4629 8.2544 118.7623 51.7980 19.4852 178.0451 124 N 4.8728 8.5040 118.9472 51.2486 41.1163 175.7936 125 E 3.9382 8.6933 119.1679 59.8215 29.3209 179.3832 126 E 4.0302 8.2101 118.5617 59.2039 29.7704 178.6122 127 Q 4.0510 8.5600 118.2286 58.8543 28.7513 178.6185 128 V 3.6693 8.1384 119.6325 66.1030 31.5538 177.9029 129 L 4.1008 8.0236 119.7823 58.1176 41.8202 178.8411 130 E 4.0312 8.2989 118.8574 58.9255 29.4525 178.6424 131 W 3.9801 8.5901 128.7148 60.7508 30.7906 177.0013 132 Y 4.9797 8.6066 120.5592 60.8310 38.2372 178.3293 133 H 4.5093 8.6247 116.6462 58.7106 28.8063 177.3361 134 H 3.9673 8.1769 120.5112 59.0936 29.5903 177.4571 135 W 4.1939 7.1778 120.4915 59.3843 28.7015 178.2635 136 L 3.2382 7.5492 119.0877 57.5614 40.9307 179.5484 137 K 4.2594 7.9335 118.8721 60.0888 32.1955 178.6598 138 T 3.9722 7.9003 116.1104 66.7223 68.2715 176.7006 139 G 3.2861 7.9995 107.2869 47.9473 0.0000 175.9138 140 F 4.2132 7.6121 121.2329 59.7571 38.6808 177.2517 141 D 4.7613 8.5963 118.9126 57.6372 40.7401 178.7337 142 A 3.9796 7.8797 120.3163 55.2791 18.4910 179.1760 143 F 3.8129 8.5298 119.3166 61.6124 39.3000 176.9820 144 E 4.1421 9.1258 119.2842 59.2037 29.2401 178.2079 145 E 3.9824 8.0919 118.4337 59.5290 30.1583 178.8487 146 K 4.1002 8.1440 118.2735 59.1182 32.0249 179.2520 147 L 4.0970 7.9853 119.7373 57.8558 41.4354 179.4602 148 G 3.8566 7.8709 102.6988 46.0974 0.0000 173.7761 149 A 4.6636 7.4198 122.6733 51.6336 19.1912 176.2003 150 L 5.0015 7.7591 117.1633 53.9710 45.3287 175.5381 151 E 5.0312 8.5818 118.5849 54.9594 32.7909 175.4374 152 R 4.9623 8.1560 117.2749 55.4051 31.7298 174.6979 153 D 4.5758 8.9560 121.6159 56.4409 41.5597 176.2564 154 K 4.3164 7.4619 115.4478 54.1587 36.3836 175.3076 155 P 4.5225 0.0000 0.0000 63.1576 28.3924 175.4211 156 V 4.7302 7.1087 117.4371 60.0838 36.2033 175.7821 157 C 4.3848 9.6250 119.6883 62.6049 28.0725 174.8655 158 F 5.0631 7.7206 119.0512 57.4893 43.1170 174.7237 159 G 3.2143 8.2090 115.6026 47.0073 0.0000 176.3043 160 S 4.6762 8.5136 116.7690 58.0483 65.0366 173.7492 161 E 4.8208 7.6951 117.9140 53.8004 32.2778 175.8775 162 V 4.0219 8.3802 121.1725 63.2634 32.4950 175.4329 163 G 4.2578 9.5564 113.8718 43.0135 0.0000 172.4967 164 L 3.9185 8.8050 119.8427 58.5856 41.6466 179.3084 165 A 4.1534 8.0370 120.0063 55.2085 18.4609 179.2031 166 D 4.4592 8.4447 117.5700 57.5215 40.7010 179.0093 167 V 3.6170 7.9437 117.4471 66.1685 31.2317 177.3022 168 C 4.2615 8.0100 116.0122 62.1397 28.1107 175.6549 169 L 3.7866 7.9938 121.9463 58.1466 41.6223 179.1008 170 I 3.6970 7.6712 119.4662 64.1291 37.1106 176.7833 171 P 4.2034 0.0000 0.0000 65.3068 31.1344 178.5069 172 Q 4.0240 7.8042 117.8430 59.3211 29.0552 178.5461 173 V 3.6818 8.2519 119.6198 65.9777 31.5086 177.2398 174 Y 4.2325 8.4657 119.6183 60.9798 38.7604 178.0336 175 N 4.6173 8.6038 117.1780 56.2016 38.5794 177.2087 176 A 4.2546 8.2946 122.3189 55.6784 18.4713 179.5089 177 H 4.2730 8.2442 114.5829 58.9524 28.6248 177.7125 178 R 3.6752 7.6256 119.3733 59.1909 29.7218 177.4553 179 F 4.4692 7.8604 114.4711 56.7923 39.4906 175.2604 180 H 4.1759 8.1993 114.2198 56.8321 26.5933 174.7733 181 F 4.3940 8.5169 121.0969 57.5343 40.0295 174.8591 182 D 4.4375 7.3819 126.6169 53.1832 42.5491 175.2703 *184 A 4.3027 8.2502 121.1617 52.1523 20.0916 177.9476 185 S 4.0358 7.6077 109.8086 60.1970 63.6117 173.8116 186 Y 5.1050 7.0843 117.3537 55.3646 38.2554 173.9904 187 P 4.2771 0.0000 0.0000 65.8314 32.0667 178.5775 188 I 3.7168 8.0913 118.1778 64.4741 37.1034 178.2988 189 I 3.7505 8.0411 120.6164 64.6645 36.9872 177.9451 190 N 4.2962 8.5091 117.2865 56.5742 38.3605 177.2096 191 E 4.0101 8.6128 120.0422 59.5403 29.4830 179.5632 192 I 3.9908 7.8078 121.0270 63.7750 37.1850 177.8826 193 N 4.1926 8.6744 118.1275 56.6720 38.6059 176.0722 194 E 3.8964 7.9698 119.1954 59.6572 30.0820 177.8665 195 Y 4.2194 8.2083 119.2613 61.1078 38.8590 177.9313 196 C 3.4930 8.1826 117.6966 62.5756 27.8364 176.1481 197 L 4.2427 7.5357 119.4594 57.3145 41.2453 178.7767 198 T 4.0937 7.2587 107.6157 61.6605 69.5231 174.2829 199 L 4.4911 7.7603 123.8345 53.0017 43.2405 175.6571 200 P 4.2665 0.0000 0.0000 65.7889 30.9874 178.7609 201 A 3.9916 7.9716 118.0351 55.1744 18.6459 179.3502 202 F 4.1424 8.3341 115.7123 60.9350 39.3284 177.0246 203 H 4.1820 9.0798 118.1998 59.7621 29.4862 176.9722 204 D 4.4075 8.6680 118.4747 56.4532 40.6651 177.6917 205 A 4.3416 7.9283 119.7284 51.9045 19.7132 177.4469 206 A 3.0746 6.9264 119.8077 51.3439 19.1307 175.9003 207 P 4.3950 0.0000 0.0000 64.7652 31.6599 176.6716 208 E 4.0861 7.9450 120.2425 56.4488 29.5470 176.0957 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 1 L 8.04 4.41 0.00 1.92 1.79 1.00 0.50 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 2 I 8.28 4.68 1.77 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.11 0.75 0.00 0.00 3 L 9.75 4.87 0.00 1.65 1.66 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 9.00 5.17 0.00 2.91 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 5 D 10.02 5.36 0.00 2.82 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 6 Y 8.54 5.43 0.00 3.05 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 7 F 8.66 3.97 0.00 3.22 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 8 R 5.84 4.07 0.00 0.67 1.65 0.00 3.51 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 9 S 7.93 4.35 0.00 4.18 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 10 T 8.80 4.05 4.44 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 1.21 0.00 0.00 11 A 8.02 3.95 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 12 C 8.10 4.09 0.00 3.22 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 13 Y 8.10 4.24 0.00 3.03 3.02 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 14 R 7.83 3.80 0.00 2.14 1.93 0.00 3.13 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 1.74 1.77 0.00 15 V 7.56 3.49 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 0.97 0.00 0.00 0.89 0.00 0.00 16 R 8.47 3.80 0.00 2.06 2.04 0.00 3.25 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 17 I 8.07 3.48 1.71 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 -0.14 0.00 0.00 18 A 7.79 3.86 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 19 L 7.88 3.81 0.00 1.62 1.60 -0.38 0.76 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 20 N 7.97 4.37 0.00 2.91 2.87 0.00 0.00 7.09 6.25 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 21 L 7.75 4.01 0.00 1.71 1.74 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.90 4.28 0.00 1.64 1.62 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.43 7.81 23 K 7.98 3.91 0.00 1.87 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.40 7.81 24 I 7.43 3.83 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.43 0.94 0.00 0.00 25 A 8.51 4.26 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 26 Y 7.99 5.22 0.00 3.03 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 27 E 9.93 4.63 0.00 2.01 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 0.00 2.22 2.32 0.00 28 K 8.65 5.05 0.00 1.82 1.77 0.00 1.81 0.00 0.00 1.96 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.61 7.81 29 I 8.71 4.49 2.27 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 0.90 0.00 0.00 30 E 8.80 4.90 0.00 1.93 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 0.00 2.43 2.31 0.00 31 V 8.38 4.54 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.85 0.00 0.00 32 H 8.70 4.98 0.00 3.14 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.42 4.23 0.00 1.53 1.53 0.90 0.84 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 34 V 7.95 4.32 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 0.90 0.00 0.00 0.94 0.00 0.00 35 N 8.96 4.04 0.00 2.89 2.91 0.00 0.00 6.91 7.85 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 *53 L 7.73 4.39 0.00 1.69 1.62 0.92 0.76 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 54 V 7.40 4.79 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 55 P 0.00 4.83 0.00 2.06 2.06 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 56 S 8.80 4.85 0.00 3.99 3.74 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 57 L 8.68 4.71 0.00 1.62 1.34 0.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.50 4.71 0.00 2.20 2.27 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 59 I 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0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 139 G 8.00 3.29 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 0.00 140 F 7.61 4.21 0.00 2.24 1.54 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 0.00 141 D 8.60 4.76 0.00 3.00 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 0.00 142 A 7.88 3.98 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 0.00 143 F 8.53 3.81 0.00 3.24 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 0.00 144 E 9.13 4.14 0.00 2.39 2.41 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 2.60 2.53 0.00 145 E 8.09 3.98 0.00 2.10 2.36 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 2.35 2.42 0.00 146 K 8.14 4.10 0.00 1.77 1.68 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.59 7.81 147 L 7.99 4.10 0.00 2.03 1.80 0.95 1.17 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 0.00 148 G 7.87 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 0.00 149 A 7.42 4.66 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.76 5.00 0.00 1.83 1.76 0.93 0.55 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 0.00 151 E 8.58 5.03 0.00 1.97 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 0.00 2.30 2.30 0.00 152 R 8.16 4.96 0.00 1.91 1.82 0.00 3.02 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 153 D 8.96 4.58 0.00 2.55 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 0.00 154 K 7.46 4.32 0.00 1.19 1.18 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.21 1.29 7.81 155 P 0.00 4.52 0.00 2.30 2.17 0.00 3.17 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.84 0.00 156 V 7.11 4.73 2.16 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 0.85 0.00 0.00 0.96 0.00 0.00 157 C 9.62 4.38 0.00 3.06 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 0.00 158 F 7.72 5.06 0.00 2.84 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 0.00 159 G 8.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.51 4.68 0.00 3.79 3.83 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 0.00 161 E 7.70 4.82 0.00 1.94 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 2.21 2.22 0.00 162 V 8.38 4.02 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 1.14 0.00 0.00 1.13 0.00 0.00 163 G 9.56 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 0.00 0.00 0.00 0.00 164 L 8.80 3.92 0.00 1.75 1.73 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.04 4.15 1.43 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 0.00 166 D 8.44 4.46 0.00 3.18 2.91 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 0.00 167 V 7.94 3.62 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 0.80 0.00 0.00 0.92 0.00 0.00 168 C 8.01 4.26 0.00 3.04 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 0.00 169 L 7.99 3.79 0.00 1.91 1.81 0.31 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.67 3.70 2.00 0.00 0.00 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 1.41 0.40 0.80 0.00 0.00 171 P 0.00 4.20 0.00 2.07 2.00 0.00 3.60 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.01 0.00 172 Q 7.80 4.02 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.43 0.00 173 V 8.25 3.68 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.79 0.00 0.00 174 Y 8.47 4.23 0.00 3.29 3.31 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 0.00 175 N 8.60 4.62 0.00 3.22 3.23 0.00 0.00 6.93 8.16 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 0.00 176 A 8.29 4.25 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 0.00 177 H 8.24 4.27 0.00 3.19 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 R 7.63 3.68 0.00 1.33 1.94 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.34 0.00 179 F 7.86 4.47 0.00 2.95 2.94 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 0.00 180 H 8.20 4.18 0.00 3.39 3.48 0.00 5.84 0.00 0.00 0.00 0.00 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 F 8.52 4.39 0.00 2.95 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 0.00 182 D 7.38 4.44 0.00 2.51 2.27 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 *184 A 8.25 4.30 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 0.00 185 S 7.61 4.04 0.00 2.72 3.29 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 0.00 186 Y 7.08 5.10 0.00 2.93 2.94 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 0.00 187 P 0.00 4.28 0.00 2.18 2.13 0.00 3.88 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 2.14 2.19 0.00 188 I 8.09 3.72 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.11 0.98 0.00 0.00 189 I 8.04 3.75 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.80 0.69 0.00 0.00 190 N 8.51 4.30 0.00 2.97 2.91 0.00 0.00 7.10 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 0.00 191 E 8.61 4.01 0.00 1.99 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 2.35 2.67 0.00 192 I 7.81 3.99 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 1.01 0.00 0.00 193 N 8.67 4.19 0.00 2.82 2.98 0.00 0.00 6.87 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 0.00 194 E 7.97 3.90 0.00 2.04 2.27 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 2.38 2.36 0.00 195 Y 8.21 4.22 0.00 3.07 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 0.00 196 C 8.18 3.49 0.00 2.37 1.18 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 0.00 197 L 7.54 4.24 0.00 1.82 1.78 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 198 T 7.26 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 199 L 7.76 4.49 0.00 1.91 1.69 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 4.27 0.00 2.19 2.15 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 201 A 7.97 3.99 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 0.00 202 F 8.33 4.14 0.00 3.44 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 H 9.08 4.18 0.00 3.38 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 D 8.67 4.41 0.00 2.71 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 0.00 205 A 7.93 4.34 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 206 A 6.93 3.07 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 0.00 207 P 0.00 4.39 0.00 2.04 2.27 0.00 3.08 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.45 0.00 208 E 7.95 4.09 0.00 1.93 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 0.00 2.33 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.