NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3968 8.3349 117.0990 56.3802 64.8561 173.5220 -1 N 4.0718 8.2377 115.4942 53.9030 35.8753 172.1428 0 A 5.0366 7.7494 118.4200 48.8930 23.5016 175.6991 0 K 5.0366 7.7994 115.0200 52.5930 37.5016 174.4991 3 A 4.3294 7.9891 128.0462 50.1623 19.1875 175.6164 4 P 4.2981 0.0000 0.0000 62.6789 32.2169 176.7089 5 E 4.1184 8.7490 122.2072 56.2927 30.0297 177.2372 6 L 4.0949 8.6331 123.1662 55.2432 42.4057 176.7560 7 Q 4.6030 9.0143 122.6749 54.4652 30.3741 174.3546 8 I 4.7081 8.1950 124.2335 59.5542 39.5285 175.6481 9 Q 4.3520 9.1208 127.6625 58.3522 29.9302 175.4146 10 Q 4.6166 7.4244 114.0791 55.0685 31.8408 173.0371 11 W 5.1945 8.5881 119.3778 55.0233 31.9691 175.1410 12 F 4.8870 9.7400 122.2578 56.2081 41.7048 175.3635 13 N 4.4835 9.2175 116.5296 54.0216 35.8573 174.5026 14 S 4.4849 8.0659 110.8427 56.5852 65.4420 173.4170 15 A 4.0918 8.8565 131.1819 54.4401 18.3713 176.6472 16 T 4.4941 7.2557 103.3413 59.2935 71.6840 173.5570 17 D 4.3992 8.2578 120.9997 53.1809 39.9103 175.1414 18 L 4.1158 6.7629 126.3999 54.4090 42.2330 176.8916 19 T 4.8917 8.1595 112.1438 59.3399 72.0139 174.1636 20 L 4.1116 8.5793 121.5729 57.8749 42.3737 179.7085 21 A 4.0255 8.1910 121.2424 55.2909 18.4853 179.0473 22 D 4.4039 7.9414 114.6263 56.9213 41.1445 177.5772 23 L 4.5539 7.7828 116.9108 53.9157 42.1925 176.2378 24 R 4.0534 7.3509 118.0607 58.3647 30.3182 176.7980 25 G 4.0099 8.9977 111.2921 44.7655 0.0000 173.4335 26 K 4.6523 7.3641 118.2994 54.7043 34.0236 176.8253 27 V 3.9399 8.1192 123.5836 63.0005 32.8844 174.7499 28 I 4.8693 8.7071 128.1242 59.4607 40.3060 174.4289 29 V 4.6504 8.9024 127.2737 61.1818 33.7452 174.1297 30 I 4.8457 8.7908 129.2653 59.4996 40.0444 174.1164 31 E 4.9726 9.1899 128.6916 54.6566 31.3471 174.2028 32 A 5.3466 9.0679 130.7825 50.7281 20.8394 175.7936 33 F 5.1984 9.0525 116.8297 55.9560 42.0403 173.4346 34 Q 4.5406 8.4559 118.2280 55.3667 30.1977 177.4811 *36 L 3.9583 8.4621 125.6465 55.2470 43.6639 175.6472 37 C 4.4457 7.8576 121.0818 57.4318 31.9057 172.6251 38 P 4.3195 0.0000 0.0000 65.5778 31.5945 178.1582 39 G 3.7989 8.1510 106.9422 48.6247 0.0000 175.3853 40 C 4.1726 8.2661 117.6210 62.9219 28.2774 175.6430 41 V 3.7866 7.4893 114.8874 64.1108 30.9214 176.0990 *43 H 4.8878 8.3373 117.1040 55.7463 30.7341 175.9389 44 G 3.9058 7.9913 106.6874 47.4514 0.0000 175.8865 45 I 3.7186 8.0471 123.4469 63.5386 37.2098 176.8788 46 P 4.3139 0.0000 0.0000 65.3078 31.0885 178.4322 47 L 3.9439 8.1638 119.1254 58.1112 41.9784 178.8296 48 A 3.9362 8.1394 120.6962 55.4149 18.2458 179.6934 49 Q 4.1386 8.4196 116.4566 58.8527 28.6610 179.1685 50 K 3.9808 8.0995 119.6964 59.3342 32.1491 179.3977 51 V 3.7705 7.9473 118.5684 66.1487 31.2302 177.9382 52 R 3.8998 7.9989 116.8459 59.5865 30.0144 178.0824 53 A 4.1264 8.1290 119.1706 54.8715 18.4248 179.0153 54 A 3.9389 8.1975 118.7686 52.7959 18.9986 177.5206 55 F 4.8689 7.3114 114.9618 54.7359 42.0742 173.5695 56 P 4.5950 0.0000 0.0000 62.2810 32.1072 177.3918 57 E 4.2325 9.0256 119.5657 58.8512 29.6072 178.3185 58 D 4.5132 8.1200 117.2625 55.2973 40.0969 176.9548 59 K 4.4086 7.9925 118.4816 56.9208 34.7390 176.6173 60 V 4.7377 8.2949 120.1117 60.8946 34.5168 174.4075 61 A 4.6690 8.8814 130.1217 50.6683 20.8624 175.7505 62 V 4.7091 8.3133 121.4865 60.9678 33.8574 174.6885 63 L 5.2033 8.8792 127.3736 52.9981 45.6018 175.7634 64 G 4.7615 9.9747 110.0702 45.0251 0.0000 172.5204 65 L 5.0848 9.4624 124.8182 53.1940 45.2358 175.2137 66 H 4.1275 9.2364 129.0703 55.6962 30.2500 173.7217 67 T 4.8427 8.0460 118.2442 59.8372 68.1751 172.3756 68 V 3.7889 7.7522 128.1102 62.6357 32.0090 175.4649 69 F 5.0430 8.3220 120.7569 55.2767 38.4448 174.4687 70 E 4.4159 7.4066 117.0253 56.3994 31.9068 173.6547 71 H 4.1921 8.5567 113.5027 56.7169 26.5422 176.8948 72 H 4.0006 8.5626 117.1007 59.0294 28.7943 177.1543 73 E 4.0758 8.1622 115.0043 58.2310 29.6963 176.5631 74 A 4.3674 7.7977 122.9337 52.7224 19.2470 177.3871 *76 T 4.1767 7.6422 109.5249 62.4700 71.1795 172.0086 77 P 4.3727 0.0000 0.0000 65.7998 30.7715 178.7778 78 I 3.7641 7.8048 117.1140 64.1248 37.9630 178.0427 79 S 4.1863 7.6226 115.6154 61.3407 62.5883 176.2869 80 L 3.8529 8.0270 123.1716 57.9110 41.7834 178.7016 81 K 3.2271 8.0320 119.6597 59.5052 31.9542 178.5467 82 A 4.0009 7.6481 119.6106 54.9985 18.2980 179.3345 83 F 4.2008 8.3645 119.2134 61.5826 39.4974 177.4014 84 L 3.8510 8.3501 118.9648 57.7938 41.3301 178.9172 85 H 4.0361 8.1564 118.1799 59.4476 29.6748 177.1082 86 E 3.8132 8.2102 119.3032 59.1802 29.3544 178.1350 87 Y 3.9946 7.5208 113.4822 56.3343 38.8593 175.6372 88 R 3.5151 7.5047 118.2611 57.0178 28.3032 177.2792 89 I 3.8808 7.5711 117.7232 60.3514 37.4767 176.5893 90 K 4.3566 8.1188 124.5293 56.1446 33.5980 176.8925 91 F 4.6940 7.1544 113.4163 55.2964 39.1155 173.2503 92 P 5.0260 0.0000 0.0000 63.0274 32.5808 175.5939 93 V 5.1527 9.6088 123.7573 61.2679 34.7661 174.1600 94 G 3.2701 8.9791 115.5321 44.0026 0.0000 172.4321 95 V 4.2788 8.3036 125.4160 61.6794 32.6964 174.8261 96 D 4.7356 8.4779 128.7515 54.1312 41.8721 176.0317 97 Q 4.3023 8.7098 124.8515 55.0005 30.0060 174.3824 98 P 4.4845 0.0000 0.0000 62.9354 31.9305 176.5564 99 G 4.0347 8.1849 110.0813 44.1566 0.0000 173.0446 100 D 4.4991 8.7842 118.3159 56.4457 41.4551 176.8380 101 G 4.3276 7.5249 108.3383 44.5324 0.0000 175.1961 102 A 4.1147 8.4517 122.3163 51.1106 17.5648 175.5231 *104 P 4.2916 0.0000 0.0000 63.8770 32.8116 176.8776 105 R 4.0877 8.8783 117.4325 59.8873 30.1354 180.5435 106 T 4.3361 8.9101 114.0011 63.8237 68.0790 176.5141 *108 A 4.1857 8.2441 125.7041 52.2168 20.4196 179.7088 109 A 3.9548 8.2123 117.6467 55.4138 18.3986 178.0241 110 Y 4.0246 8.1833 110.7097 57.3659 38.4081 172.6063 111 Q 3.1746 7.8092 125.1060 55.7433 29.1031 174.0537 *113 R 3.8986 8.5634 120.2962 54.3104 32.1681 176.0022 114 G 3.6525 6.2458 102.9088 45.6018 0.0000 171.1517 115 T 5.2060 8.2517 109.0405 59.1483 72.0839 172.1533 116 P 4.9962 0.0000 0.0000 63.0586 33.1878 175.0383 117 S 5.4429 9.1059 117.1597 56.7715 67.0396 172.6274 118 L 5.1901 9.3428 125.3685 53.3262 44.6097 174.9416 119 L 5.2272 8.9886 126.2330 52.8784 45.1531 175.3403 120 L 5.1867 8.8778 122.5420 53.0398 44.8569 175.3672 121 I 5.0537 8.6004 125.2527 59.3340 40.0868 175.6393 122 D 5.0397 9.1267 127.3363 52.4025 40.9946 177.4995 123 K 4.0160 8.8248 117.0226 59.0612 32.0302 178.4512 124 A 4.3134 8.1605 119.2664 52.0277 19.4618 177.7549 125 G 3.9672 8.5421 105.3297 45.2359 0.0000 172.9560 126 D 4.8131 8.4723 120.3257 52.4052 42.0905 175.8152 127 L 4.5705 8.4094 125.3635 55.4175 42.5982 176.5645 128 R 4.7556 9.1819 123.2612 56.0670 32.8312 175.3853 129 A 4.6722 7.8106 118.7416 50.9791 23.1188 175.3178 130 H 4.9660 8.5187 120.0118 55.9134 31.7691 171.8388 131 H 5.0927 9.7765 124.0231 53.8573 31.3009 173.4874 132 F 5.2779 9.0356 125.1577 57.0426 40.7787 175.3953 133 G 3.6391 9.1667 114.5527 45.6825 0.0000 173.6746 134 D 4.4193 8.3394 124.1879 53.9606 41.4304 175.6879 135 V 4.2456 7.9307 122.1502 60.1028 34.2998 175.4207 136 S 4.1542 8.5542 121.2556 58.3612 63.0643 174.4551 137 E 3.9798 8.8514 129.4994 59.5030 29.3180 179.1652 138 L 3.9938 7.8976 118.4539 57.9910 41.7186 179.4793 139 L 4.0901 8.1268 118.7972 57.3522 41.4991 179.2412 140 L 4.2117 8.3721 121.0218 58.1028 42.0635 179.2202 141 G 3.7650 8.4487 105.6642 47.7575 0.0000 175.4619 142 A 4.0597 8.0805 123.1263 55.0759 18.4340 179.6146 143 E 3.9417 8.3989 117.1601 59.5820 29.4987 179.6801 144 I 3.5260 8.0407 119.8733 64.2150 37.0124 178.2974 145 A 4.0465 8.1251 121.5814 55.4541 17.9772 179.7393 146 T 3.8054 7.7798 113.1412 66.8769 68.7577 176.5423 147 L 4.1292 7.8645 120.7715 57.8130 41.4324 179.6214 148 L 4.1488 8.2259 118.4391 57.4728 41.5843 179.4340 149 G 3.7104 8.0773 104.8381 46.0721 0.0000 173.9420 150 E 4.2254 7.2239 119.8581 55.4766 30.2987 176.6117 151 A 4.1001 8.3038 124.3730 51.6780 19.1585 177.7178 152 A 4.1013 8.3681 124.2851 51.7005 19.0120 175.8397 153 P 4.5421 0.0000 0.0000 62.1564 33.2092 177.1311 154 S 4.6908 8.7619 113.5155 58.1580 62.5010 169.5399 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 -2 S 8.33 4.40 0.00 3.65 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 -1 N 8.24 4.07 0.00 2.93 2.92 0.00 0.00 6.60 6.46 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 A 7.75 5.04 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 0 K 7.80 5.04 0.00 1.52 1.45 0.00 0.61 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.26 7.81 3 A 7.99 4.33 1.47 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 0.00 0.00 4 P 0.00 4.30 0.00 1.69 1.86 0.00 2.20 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.82 0.00 5 E 8.75 4.12 0.00 1.99 1.95 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 2.36 2.37 0.00 6 L 8.63 4.09 0.00 1.80 1.71 1.20 0.95 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 7 Q 9.01 4.60 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 8 I 8.19 4.71 1.81 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 1.24 0.57 0.17 0.00 0.00 9 Q 9.12 4.35 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 10 Q 7.42 4.62 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 11 W 8.59 5.19 0.00 3.12 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 12 F 9.74 4.89 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 9.22 4.48 0.00 3.15 3.14 0.00 0.00 6.66 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 14 S 8.07 4.48 0.00 3.72 3.64 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 15 A 8.86 4.09 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 16 T 7.26 4.49 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 1.16 0.00 0.00 17 D 8.26 4.40 0.00 2.70 2.69 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 18 L 6.76 4.12 0.00 0.37 1.22 0.39 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.16 4.89 4.30 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 1.27 0.00 0.00 20 L 8.58 4.11 0.00 1.79 1.82 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.19 4.03 1.32 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 0.00 0.00 22 D 7.94 4.40 0.00 2.92 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 23 L 7.78 4.55 0.00 1.84 1.65 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.35 4.05 0.00 1.91 1.91 0.00 3.31 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 25 G 9.00 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 26 K 7.36 4.65 0.00 1.81 1.72 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.55 1.36 7.81 27 V 8.12 3.94 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 0.89 0.00 0.00 0.89 0.00 0.00 28 I 8.71 4.87 1.88 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 1.11 0.78 0.92 0.00 0.00 29 V 8.90 4.65 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 0.99 0.00 0.00 0.82 0.00 0.00 30 I 8.79 4.85 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.66 0.88 0.00 0.00 31 E 9.19 4.97 0.00 2.08 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 2.26 2.45 0.00 32 A 9.07 5.35 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 33 F 9.05 5.20 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.46 4.54 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 *36 L 8.46 3.96 0.00 1.54 1.65 0.83 0.74 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 37 C 7.86 4.45 0.00 2.97 3.05 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 38 P 0.00 4.32 0.00 2.10 2.12 0.00 3.75 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 2.04 2.10 0.00 39 G 8.15 3.80 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 0.00 40 C 8.27 4.17 0.00 3.34 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 41 V 7.49 3.79 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 0.74 0.00 0.00 1.02 0.00 0.00 *43 H 8.34 4.89 0.00 3.46 3.37 0.00 5.87 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 44 G 7.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.05 3.72 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.54 0.80 0.00 0.00 46 P 0.00 4.31 0.00 2.18 2.12 0.00 3.71 0.00 0.00 3.74 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 47 L 8.16 3.94 0.00 1.88 1.94 0.95 0.79 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 48 A 8.14 3.94 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 49 Q 8.42 4.14 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.65 2.78 0.00 50 K 8.10 3.98 0.00 2.05 1.88 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.60 7.81 51 V 7.95 3.77 2.23 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 1.05 0.00 0.00 1.06 0.00 0.00 52 R 8.00 3.90 0.00 1.79 2.19 0.00 3.42 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 53 A 8.13 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.20 3.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.31 4.87 0.00 3.06 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 56 P 0.00 4.59 0.00 2.47 2.20 0.00 3.92 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 2.21 2.04 0.00 57 E 9.03 4.23 0.00 2.00 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 0.00 2.35 2.24 0.00 58 D 8.12 4.51 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.99 4.41 0.00 1.78 1.89 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.44 7.81 60 V 8.29 4.74 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.75 0.00 0.00 61 A 8.88 4.67 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 62 V 8.31 4.71 1.82 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 0.12 0.00 0.00 0.86 0.00 0.00 63 L 8.88 5.20 0.00 1.71 1.81 1.11 0.82 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 64 G 9.97 4.76 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 0.00 0.00 0.00 65 L 9.46 5.08 0.00 1.68 1.51 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.24 4.13 0.00 2.85 2.98 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.05 4.84 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 1.18 0.00 0.00 68 V 7.75 3.79 1.91 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 0.58 0.00 0.00 0.50 0.00 0.00 69 F 8.32 5.04 0.00 3.10 3.04 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 70 E 7.41 4.42 0.00 1.69 1.67 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 1.47 1.91 0.00 71 H 8.56 4.19 0.00 3.19 3.26 0.00 5.64 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 72 H 8.56 4.00 0.00 3.07 3.37 0.00 5.90 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 73 E 8.16 4.08 0.00 2.07 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 0.00 2.27 2.25 0.00 74 A 7.80 4.37 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 *76 T 7.64 4.18 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 1.26 0.00 0.00 77 P 0.00 4.37 0.00 2.32 2.47 0.00 3.65 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 2.17 2.25 0.00 78 I 7.80 3.76 1.92 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 1.66 1.39 0.93 0.00 0.00 79 S 7.62 4.19 0.00 4.12 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 80 L 8.03 3.85 0.00 1.60 1.64 0.77 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.03 3.23 0.00 1.85 1.88 0.00 1.93 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.51 7.81 82 A 7.65 4.00 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 83 F 8.36 4.20 0.00 3.16 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 84 L 8.35 3.85 0.00 1.73 1.60 0.73 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.16 4.04 0.00 3.18 3.44 0.00 5.60 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 86 E 8.21 3.81 0.00 1.87 1.67 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 2.51 2.48 0.00 87 Y 7.52 3.99 0.00 2.45 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 88 R 7.50 3.52 0.00 1.81 1.86 0.00 3.07 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 89 I 7.57 3.88 1.58 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.46 0.00 0.00 0.00 90 K 8.12 4.36 0.00 1.73 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.32 7.81 91 F 7.15 4.69 0.00 3.32 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 5.03 0.00 2.33 2.06 0.00 4.00 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 2.15 2.29 0.00 93 V 9.61 5.15 2.39 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 1.32 0.00 0.00 1.20 0.00 0.00 94 G 8.98 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 0.00 0.00 0.00 95 V 8.30 4.28 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 0.87 0.00 0.00 1.07 0.00 0.00 96 D 8.48 4.74 0.00 2.73 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 97 Q 8.71 4.30 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 98 P 0.00 4.48 0.00 2.16 2.04 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 99 G 8.18 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.78 4.50 0.00 2.67 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 0.00 101 G 7.52 4.33 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 0.00 102 A 8.45 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *104 P 0.00 4.29 0.00 2.35 2.13 0.00 3.83 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 2.01 2.08 0.00 105 R 8.88 4.09 0.00 1.87 2.02 0.00 3.12 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 106 T 8.91 4.34 4.43 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 1.30 0.00 0.00 *108 A 8.24 4.19 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 0.00 109 A 8.21 3.95 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 0.00 110 Y 8.18 4.02 0.00 3.04 2.98 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 0.00 111 Q 7.81 3.17 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 *113 R 8.56 3.90 0.00 0.67 1.25 0.00 3.24 0.00 0.00 3.04 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.34 0.00 114 G 6.25 3.65 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 0.00 115 T 8.25 5.21 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 1.44 0.00 0.00 116 P 0.00 5.00 0.00 2.34 2.34 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 117 S 9.11 5.44 0.00 3.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.34 5.19 0.00 1.70 1.58 0.98 0.67 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 0.00 119 L 8.99 5.23 0.00 1.45 1.46 0.67 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.88 5.19 0.00 1.55 1.52 0.90 0.96 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 0.00 121 I 8.60 5.05 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.97 0.00 0.00 122 D 9.13 5.04 0.00 2.75 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.82 4.02 0.00 1.83 1.91 0.00 1.65 0.00 0.00 1.92 0.00 0.00 2.87 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.62 1.44 7.81 124 A 8.16 4.31 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 0.00 125 G 8.54 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 0.00 126 D 8.47 4.81 0.00 3.04 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 0.00 127 L 8.41 4.57 0.00 1.67 1.60 1.14 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 128 R 9.18 4.76 0.00 1.63 1.91 0.00 3.37 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 129 A 7.81 4.67 1.14 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 0.00 130 H 8.52 4.97 0.00 3.13 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 9.78 5.09 0.00 3.13 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.04 5.28 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 9.17 3.64 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 0.00 0.00 0.00 134 D 8.34 4.42 0.00 2.59 2.53 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 0.00 135 V 7.93 4.25 2.05 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 0.64 0.00 0.00 0.96 0.00 0.00 136 S 8.55 4.15 0.00 3.91 3.72 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 0.00 137 E 8.85 3.98 0.00 2.06 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 2.42 2.42 0.00 138 L 7.90 3.99 0.00 1.69 1.73 0.92 0.68 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 0.00 139 L 8.13 4.09 0.00 1.68 1.71 0.92 0.39 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 0.00 140 L 8.37 4.21 0.00 1.78 1.68 0.99 1.07 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 0.00 141 G 8.45 3.77 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 0.00 0.00 0.00 142 A 8.08 4.06 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 0.00 143 E 8.40 3.94 0.00 2.15 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 2.36 2.65 0.00 144 I 8.04 3.53 1.56 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 0.55 -0.04 0.00 0.00 145 A 8.13 4.05 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 0.00 146 T 7.78 3.81 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 1.21 0.00 0.00 147 L 7.86 4.13 0.00 1.80 1.67 0.89 0.65 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 0.00 148 L 8.23 4.15 0.00 1.72 1.74 0.90 0.80 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 0.00 149 G 8.08 3.71 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 0.00 0.00 0.00 150 E 7.22 4.23 0.00 2.09 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 2.34 2.48 0.00 151 A 8.30 4.10 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 0.00 152 A 8.37 4.10 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 0.00 153 P 0.00 4.54 0.00 2.19 2.09 0.00 3.75 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 1.96 2.17 0.00 154 S 8.76 4.69 0.00 3.73 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 * Residues marked with a * may have inaccurate shift predictions.