NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0912 8.0549 120.3916 63.1583 31.6228 174.3767 4 Q 4.4277 8.7609 126.6544 54.6772 31.3167 170.3677 5 V 4.8475 8.0620 119.6926 60.8520 35.3935 173.9417 6 G 4.6494 8.8943 115.1557 44.2076 0.0000 172.4613 7 V 5.0382 9.1251 127.9072 61.2957 33.4214 174.7722 8 I 5.8458 8.1078 121.0620 58.2604 41.0322 175.8479 *10 G 4.0426 8.7118 107.7229 46.7044 0.0000 172.9810 11 S 4.7503 8.1089 112.9498 55.6698 66.3137 175.3403 12 K 3.9877 8.6695 120.0709 59.4387 31.3582 179.5129 13 S 4.2455 8.1121 113.2361 61.0335 63.0077 175.2867 14 D 4.6225 8.2838 121.5471 55.0601 40.5482 178.0021 15 W 4.4951 8.1993 129.9730 60.4746 30.8100 177.5052 16 S 4.0781 8.1508 112.9255 61.4714 62.3147 174.9713 17 T 4.1016 7.3797 117.8395 63.8144 68.1897 176.0446 *19 K 2.8353 8.0058 125.1674 55.9231 33.7054 177.7651 20 E 3.7944 7.4949 118.3537 59.0410 29.1884 178.8359 21 C 4.0590 7.7469 118.3758 62.7271 31.7643 175.1722 22 C 3.4733 7.7825 117.6775 62.7845 27.7187 175.7019 23 D 4.4867 8.1954 120.6174 57.4845 40.3149 179.0340 24 I 3.6596 7.3676 120.2938 64.2313 37.0511 178.3078 25 L 3.8872 7.5872 119.7848 57.8835 41.3849 179.3129 26 D 4.4862 8.1421 118.5568 57.7165 40.6355 178.6721 27 N 4.4203 7.9662 115.3247 56.1114 38.6344 176.5937 28 L 4.4156 8.0265 117.5651 53.9727 41.9133 176.9919 29 G 3.9396 7.7813 106.8579 46.5803 0.0000 173.4745 30 I 4.3566 8.1040 120.9952 59.1912 38.6082 176.3564 31 G 3.9218 8.7238 115.0204 46.5618 0.0000 171.8886 32 Y 5.5870 7.9528 121.4086 55.6469 41.5037 173.5486 33 E 4.9689 9.2527 117.8941 54.6013 33.0143 174.5454 34 C 6.0172 8.5661 115.1758 55.7108 32.6472 172.6629 35 E 4.6423 8.5315 121.3515 54.8716 33.1847 173.5737 36 V 4.2530 8.2153 125.3716 61.9761 32.6799 175.4488 37 V 4.2316 8.1467 127.5172 61.2871 34.6675 173.8375 38 S 4.4799 8.6549 123.6388 56.5840 63.2699 174.9716 39 A 4.0521 8.5603 130.8796 55.0122 18.5473 177.8340 40 H 4.6528 8.0399 111.6336 57.3531 29.5566 176.3320 41 R 4.4475 7.9996 116.6260 56.6246 31.4345 176.3357 42 T 4.7418 7.7779 108.1822 59.7130 68.6777 173.5793 43 P 4.1911 0.0000 0.0000 66.7900 32.1704 177.8690 44 D 4.4229 8.0444 118.5235 57.0424 41.0683 178.6840 45 K 4.2995 7.7111 119.5664 56.6225 31.7651 178.6992 *47 F 4.8518 8.2725 117.2026 57.4027 41.2169 177.3338 48 D 4.5607 8.4681 120.2148 57.5186 40.1052 178.0188 49 Y 3.9260 8.5214 120.1889 60.8471 38.5688 178.2790 50 A 4.1439 8.1308 119.5618 55.2609 18.6768 178.9107 51 E 4.1337 8.4766 116.8219 58.9085 29.8770 178.6783 52 T 4.5119 7.6262 106.8384 61.3482 69.4169 176.1639 53 A 3.7165 7.4088 124.0143 55.3106 18.4321 179.6386 54 K 4.0137 7.9147 117.7529 59.6998 32.1816 178.6608 55 E 4.0590 7.9990 115.6805 58.9358 29.8097 178.3470 56 R 4.1286 7.8109 117.5531 57.0287 30.2544 177.2946 57 G 3.9699 7.8444 107.3896 44.8915 0.0000 173.8897 58 L 4.2169 7.5234 119.5420 54.6943 42.1351 176.8939 59 K 4.5656 8.8737 121.1775 57.0030 34.5849 176.8307 60 V 4.7449 7.6550 117.9813 61.2432 35.6540 173.7156 61 I 5.1055 8.6752 126.7389 59.6236 40.2227 174.3821 62 I 4.9896 9.0596 127.7081 59.5091 39.7497 174.4997 63 A 5.0497 9.3291 128.9288 50.1544 21.8144 174.8466 64 G 4.7036 8.7489 110.2233 44.2489 0.0000 172.6299 65 A 4.6172 8.1720 121.2321 50.9413 22.6144 175.4397 66 G 4.3990 8.5735 106.9120 43.9223 0.0000 175.1786 67 G 3.8835 8.7424 107.4377 45.8755 0.0000 176.6549 68 A 4.2604 8.4645 121.4577 51.9382 15.9164 175.3621 69 A 4.3536 8.0262 122.0784 51.6097 17.7590 177.0618 70 H 4.8578 8.3636 118.5064 56.9295 30.5878 177.5100 71 L 3.8406 8.1641 120.9208 57.7297 42.3450 176.2351 72 P 4.4278 0.0000 0.0000 65.7405 31.6620 179.8020 73 G 3.6340 7.5930 104.4519 46.0873 0.0000 175.4137 *75 V 3.9963 7.9730 121.3013 62.4829 33.1191 177.4510 76 A 4.0318 8.0479 121.1153 54.9088 18.3415 178.5988 77 A 4.1052 7.8674 117.9363 54.3578 18.4654 178.2658 78 K 4.3612 7.6042 111.9990 56.1985 33.1732 175.8339 79 T 4.6434 7.4067 112.5658 60.4856 70.3326 173.4642 80 T 4.2818 8.3804 115.4776 62.1212 69.5858 175.0071 81 L 4.3510 7.7038 123.0981 54.0010 42.6666 175.2828 82 P 4.4276 0.0000 0.0000 63.1687 32.6621 174.9649 83 V 4.9464 8.5288 122.9333 61.0815 34.4034 173.7166 84 L 5.1945 9.3540 128.2578 53.1218 44.2070 175.4204 85 G 4.3388 9.5519 112.4972 44.5822 0.0000 172.3598 86 V 4.6138 8.4796 125.7005 60.4650 33.8622 172.9236 87 P 4.7517 0.0000 0.0000 62.3934 32.2918 175.7102 88 V 4.2404 8.2253 125.8126 61.4127 32.6451 175.6828 89 K 4.0404 8.6142 129.2206 56.2477 32.4595 176.5151 90 S 4.4265 8.6109 121.7868 57.7811 64.0221 175.4422 91 S 4.1239 8.6489 118.2248 61.6665 63.1733 175.8757 92 T 4.0123 7.9473 110.2005 64.1206 69.1240 175.7299 93 L 4.5809 7.7753 121.0112 53.1917 42.0613 176.4250 94 N 4.2232 8.7964 113.9955 54.4232 36.6280 175.5974 95 G 3.9784 8.8229 104.9229 46.2704 0.0000 176.4625 96 Q 3.9738 8.2655 120.6858 58.5949 28.4966 178.1476 97 D 4.3374 8.0291 119.7348 56.7062 39.3218 178.5268 98 S 4.3436 8.0278 117.9673 60.3221 62.7844 176.4216 99 L 3.9488 8.1207 122.9000 58.2779 41.9592 179.0740 100 L 3.9874 7.9791 118.9365 57.8711 41.3375 179.6579 101 S 4.2217 8.1533 114.2173 60.9232 62.7140 176.1915 102 I 4.1463 7.2539 121.8790 63.5650 37.6635 178.1480 103 V 3.8942 7.6819 119.9933 62.6707 31.7628 176.7883 104 Q 3.9876 7.3353 118.5977 54.5829 28.6886 173.6658 *106 P 4.1106 0.0000 0.0000 61.7280 32.5248 175.4064 107 A 4.0970 8.5094 121.1808 52.3821 18.4812 176.0736 108 G 3.4264 8.0894 116.0456 45.2379 0.0000 173.4880 109 I 4.4033 6.9581 121.6186 58.8057 39.0970 173.1290 110 P 4.6442 0.0000 0.0000 61.5202 32.4614 175.9889 111 V 4.4429 7.9570 119.8907 60.9557 34.3485 174.6624 112 A 4.0576 8.7147 130.3193 51.9333 19.1387 176.0347 113 T 4.8505 7.9840 119.0059 62.3352 71.2224 174.1082 114 F 4.7248 8.3592 122.9142 54.7477 42.7134 174.9328 115 A 4.1099 8.7682 122.1978 52.4120 18.6186 177.2229 116 I 4.1394 8.0893 120.9170 62.5670 37.2543 174.8613 117 G 3.6809 8.7110 118.2443 46.1158 0.0000 175.1602 *119 A 4.2266 7.8260 119.2679 51.2969 21.2259 179.4490 120 G 4.1934 8.2795 103.1486 47.1819 0.0000 175.3674 121 A 3.8927 7.9478 123.2085 55.0484 18.3936 179.7534 122 K 3.7341 7.8973 115.9773 59.8771 32.2257 179.2530 123 N 4.2309 8.1786 116.2581 55.9916 38.2984 177.3228 124 A 2.9171 7.9568 122.4410 54.7446 18.4190 179.5387 125 A 3.7826 7.5303 118.7775 55.2744 18.4039 179.9342 126 L 3.7526 7.8185 117.5312 57.6612 41.6324 179.5014 127 F 4.0448 8.6869 120.8919 61.0194 39.2832 177.0779 128 A 3.9898 8.3280 120.5014 55.0368 18.1144 179.1368 129 A 3.8882 7.9612 119.5482 55.6390 18.1650 180.0674 130 S 3.9929 7.4226 110.6069 61.0949 62.9264 176.5521 131 I 3.7084 7.4528 123.8247 64.2378 36.7744 178.0476 132 L 3.8724 7.9692 119.2840 56.6655 41.7214 179.1379 133 Q 4.1111 8.2760 118.3564 59.4618 28.1325 178.0693 134 H 4.3297 7.6524 118.9091 58.3617 29.7720 175.4265 135 T 4.4747 7.2709 112.6432 60.6174 68.1538 173.2643 136 D 4.4539 8.0543 119.1053 52.3606 44.5839 175.4464 137 I 3.9431 8.4003 126.8200 63.1189 38.3048 177.1725 138 N 4.3866 8.3289 117.6811 56.3687 38.2457 177.3385 139 I 3.7731 7.8561 120.7487 63.9963 37.3329 178.0354 140 A 3.9453 7.7479 121.7852 54.9723 18.1941 179.3399 141 K 3.7922 8.1815 117.9364 59.9179 32.2697 178.7838 142 A 4.0094 8.1007 120.7557 54.8679 18.1354 179.4674 143 L 3.8868 8.2620 118.8714 58.1346 42.2664 178.5216 144 A 4.0195 8.0131 120.8299 55.5703 18.2380 179.1345 145 E 3.8939 8.4267 117.4748 59.3243 29.6514 178.7820 146 F 3.9961 8.2106 120.5752 61.4839 39.5089 177.3743 147 R 3.9839 8.6359 117.7773 59.0460 29.7838 178.7287 148 A 3.9633 8.6223 120.9510 55.3967 18.3782 179.3922 149 E 3.8465 8.4994 118.3068 59.2913 29.5519 178.9579 150 Q 3.9279 7.9349 117.8327 59.4277 28.5892 178.7042 151 T 3.8594 7.8832 117.6868 66.3573 68.5207 176.4964 152 R 3.8528 8.1722 120.7396 59.4217 29.8670 177.9596 153 F 4.1464 8.3789 119.6516 61.6035 39.5488 177.1068 154 V 3.5653 7.6491 117.5993 65.9453 31.1923 178.1019 155 L 4.0464 7.6675 117.3289 57.4828 41.4556 178.9455 156 E 4.1961 8.1111 117.8387 57.4234 30.7183 176.8046 157 N 4.8856 7.3406 115.6722 50.7320 38.6564 171.9745 158 P 4.2686 0.0000 0.0000 64.5302 32.6443 176.9858 159 D 4.6129 7.7753 119.5568 51.7314 41.1326 174.1497 160 P 4.3879 0.0000 0.0000 64.5389 31.9174 176.5783 161 R 4.0702 7.7696 123.2219 56.6024 29.8442 176.2063 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 V 8.05 4.09 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 0.99 0.00 0.00 0.88 0.00 0.00 4 Q 8.76 4.43 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 5 V 8.06 4.85 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 1.04 0.00 0.00 0.97 0.00 0.00 6 G 8.89 4.65 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 0.00 0.00 0.00 7 V 9.13 5.04 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.91 0.00 0.00 8 I 8.11 5.85 1.65 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.24 0.46 0.00 0.00 *10 G 8.71 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 0.00 0.00 0.00 0.00 11 S 8.11 4.75 0.00 3.93 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 12 K 8.67 3.99 0.00 1.83 1.93 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.47 7.81 13 S 8.11 4.25 0.00 4.05 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 14 D 8.28 4.62 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.20 4.50 0.00 3.32 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 16 S 8.15 4.08 0.00 4.00 3.99 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 17 T 7.38 4.10 4.37 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 1.17 0.00 0.00 *19 K 8.01 2.84 0.00 0.79 1.09 0.00 1.13 0.00 0.00 1.56 0.00 0.00 3.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.73 7.81 20 E 7.49 3.79 0.00 1.95 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 2.13 2.34 0.00 21 C 7.75 4.06 0.00 2.92 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 22 C 7.78 3.47 0.00 3.11 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 23 D 8.20 4.49 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.37 3.66 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.58 0.00 0.00 25 L 7.59 3.89 0.00 1.31 1.67 0.54 1.00 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 26 D 8.14 4.49 0.00 2.94 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 27 N 7.97 4.42 0.00 2.87 2.96 0.00 0.00 7.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.03 4.42 0.00 1.56 1.66 0.71 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.78 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 0.00 0.00 0.00 30 I 8.10 4.36 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.96 0.00 0.00 31 G 8.72 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 32 Y 7.95 5.59 0.00 3.11 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 33 E 9.25 4.97 0.00 2.10 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 2.45 2.39 0.00 34 C 8.57 6.02 0.00 3.12 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 35 E 8.53 4.64 0.00 2.04 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 0.00 2.20 2.28 0.00 36 V 8.22 4.25 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 0.78 0.00 0.00 0.87 0.00 0.00 37 V 8.15 4.23 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 0.83 0.00 0.00 0.65 0.00 0.00 38 S 8.65 4.48 0.00 4.06 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.56 4.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.04 4.65 0.00 3.15 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.00 4.45 0.00 1.80 1.97 0.00 3.11 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 42 T 7.78 4.74 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 43 P 0.00 4.19 0.00 1.99 2.25 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 44 D 8.04 4.42 0.00 2.72 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 45 K 7.71 4.30 0.00 1.82 1.92 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.50 7.81 *47 F 8.27 4.85 0.00 3.26 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 48 D 8.47 4.56 0.00 2.96 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 49 Y 8.52 3.93 0.00 3.15 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 50 A 8.13 4.14 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 51 E 8.48 4.13 0.00 2.13 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 2.27 2.29 0.00 52 T 7.63 4.51 4.17 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 1.28 0.00 0.00 53 A 7.41 3.72 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 54 K 7.91 4.01 0.00 1.81 1.78 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 55 E 8.00 4.06 0.00 2.13 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 2.37 2.35 0.00 56 R 7.81 4.13 0.00 1.91 1.95 0.00 3.04 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 1.76 0.00 57 G 7.84 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 58 L 7.52 4.22 0.00 1.74 1.63 0.88 0.93 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 59 K 8.87 4.57 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.63 7.81 60 V 7.66 4.74 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 1.13 0.00 0.00 0.98 0.00 0.00 61 I 8.68 5.11 1.97 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 1.42 0.63 1.10 0.00 0.00 62 I 9.06 4.99 1.88 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 1.17 0.84 0.88 0.00 0.00 63 A 9.33 5.05 1.21 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 64 G 8.75 4.70 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 0.00 0.00 0.00 65 A 8.17 4.62 1.21 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 66 G 8.57 4.40 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 0.00 67 G 8.74 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.46 4.26 1.21 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 69 A 8.03 4.35 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 70 H 8.36 4.86 0.00 3.14 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.16 3.84 0.00 1.56 1.70 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.43 0.00 2.24 2.11 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 73 G 7.59 3.63 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 0.00 0.00 0.00 *75 V 7.97 4.00 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 1.07 0.00 0.00 1.07 0.00 0.00 76 A 8.05 4.03 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 77 A 7.87 4.11 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 78 K 7.60 4.36 0.00 1.55 1.51 0.00 1.27 0.00 0.00 0.76 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.80 0.21 7.81 79 T 7.41 4.64 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 1.33 0.00 0.00 80 T 8.38 4.28 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 81 L 7.70 4.35 0.00 1.59 1.68 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.43 0.00 2.23 2.28 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 83 V 8.53 4.95 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 1.06 0.00 0.00 1.06 0.00 0.00 84 L 9.35 5.19 0.00 1.65 1.82 1.07 0.95 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 85 G 9.55 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 0.00 0.00 0.00 0.00 86 V 8.48 4.61 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 0.99 0.00 0.00 0.99 0.00 0.00 87 P 0.00 4.75 0.00 2.12 1.94 0.00 3.89 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 2.18 2.08 0.00 88 V 8.23 4.24 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 0.78 0.00 0.00 0.97 0.00 0.00 89 K 8.61 4.04 0.00 1.75 1.72 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.50 7.81 90 S 8.61 4.43 0.00 4.04 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 91 S 8.65 4.12 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.95 4.01 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 93 L 7.78 4.58 0.00 1.71 1.67 0.92 0.69 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 94 N 8.80 4.22 0.00 2.81 2.88 0.00 0.00 6.93 7.54 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 95 G 8.82 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.27 3.97 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 97 D 8.03 4.34 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 98 S 8.03 4.34 0.00 4.02 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 99 L 8.12 3.95 0.00 1.79 1.85 0.89 0.90 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 0.00 100 L 7.98 3.99 0.00 1.75 1.70 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.15 4.22 0.00 4.05 4.11 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 0.00 102 I 7.25 4.15 1.87 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 1.60 0.62 0.91 0.00 0.00 103 V 7.68 3.89 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 1.05 0.00 0.00 0.85 0.00 0.00 104 Q 7.34 3.99 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 *106 P 0.00 4.11 0.00 2.23 2.23 0.00 3.71 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 1.97 1.97 0.00 107 A 8.51 4.10 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 0.00 108 G 8.09 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 0.00 0.00 0.00 109 I 6.96 4.40 1.87 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 1.29 0.98 0.95 0.00 0.00 110 P 0.00 4.64 0.00 2.03 1.95 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 111 V 7.96 4.44 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 0.79 0.00 0.00 0.98 0.00 0.00 112 A 8.71 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.98 4.85 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 1.16 0.00 0.00 114 F 8.36 4.72 0.00 2.92 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 0.00 115 A 8.77 4.11 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 0.00 116 I 8.09 4.14 1.88 0.00 0.00 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 1.35 0.58 0.97 0.00 0.00 117 G 8.71 3.68 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 0.00 0.00 0.00 *119 A 7.83 4.23 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 0.00 120 G 8.28 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 0.00 121 A 7.95 3.89 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 0.00 122 K 7.90 3.73 0.00 1.91 1.82 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.46 7.81 123 N 8.18 4.23 0.00 2.86 2.84 0.00 0.00 6.97 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 0.00 124 A 7.96 2.92 1.04 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 0.00 0.00 0.00 125 A 7.53 3.78 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.82 3.75 0.00 1.73 1.58 0.82 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.69 4.04 0.00 2.98 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 0.00 128 A 8.33 3.99 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 0.00 129 A 7.96 3.89 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 0.00 130 S 7.42 3.99 0.00 3.84 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 0.00 131 I 7.45 3.71 1.96 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 1.40 0.51 0.90 0.00 0.00 132 L 7.97 3.87 0.00 1.67 1.69 0.93 0.64 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 0.00 133 Q 8.28 4.11 0.00 2.25 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 134 H 7.65 4.33 0.00 2.99 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.27 4.47 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 136 D 8.05 4.45 0.00 2.73 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 0.00 0.00 0.00 0.00 137 I 8.40 3.94 1.86 0.00 0.00 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 1.63 1.46 0.91 0.00 0.00 138 N 8.33 4.39 0.00 2.92 2.85 0.00 0.00 6.85 7.51 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 0.00 139 I 7.86 3.77 2.01 0.00 0.00 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 1.57 0.62 0.88 0.00 0.00 140 A 7.75 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.79 0.00 1.98 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 142 A 8.10 4.01 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 0.00 143 L 8.26 3.89 0.00 1.80 1.74 0.84 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.01 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.43 3.89 0.00 2.11 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 2.34 2.41 0.00 146 F 8.21 4.00 0.00 3.25 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 0.00 147 R 8.64 3.98 0.00 2.10 2.03 0.00 3.27 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.91 0.00 148 A 8.62 3.96 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 0.00 149 E 8.50 3.85 0.00 2.23 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 0.00 2.24 2.27 0.00 150 Q 7.93 3.93 0.00 2.20 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 151 T 7.88 3.86 4.42 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 1.22 0.00 0.00 152 R 8.17 3.85 0.00 1.93 2.15 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 153 F 8.38 4.15 0.00 3.02 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 0.00 154 V 7.65 3.57 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 0.95 0.00 0.00 0.98 0.00 0.00 155 L 7.67 4.05 0.00 1.77 1.69 0.91 0.97 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 0.00 156 E 8.11 4.20 0.00 1.93 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 0.00 2.32 2.54 0.00 157 N 7.34 4.89 0.00 2.31 2.52 0.00 0.00 6.99 8.86 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 0.00 158 P 0.00 4.27 0.00 2.14 2.12 0.00 3.69 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 159 D 7.78 4.61 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.20 2.13 0.00 3.80 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 1.97 1.96 0.00 161 R 7.77 4.07 0.00 1.90 1.88 0.00 3.23 0.00 0.00 3.46 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.