NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8373 8.2833 118.1941 52.2152 39.0361 174.3511 2 L 3.8749 8.2116 117.8643 57.7337 41.3454 174.8833 3 V 3.5854 8.6871 118.8158 65.8830 31.8042 177.4549 4 N 4.4379 8.1110 116.0037 56.2314 38.3694 177.0840 5 F 4.6458 8.7606 122.4981 61.8394 39.4120 176.9229 6 H 4.1551 8.5147 115.9938 58.8677 28.3063 177.7105 7 R 3.9441 7.6824 119.4342 59.6043 30.0917 177.9522 8 M 4.0824 8.1528 117.8863 58.6623 32.2560 177.8382 9 I 3.5335 7.9156 120.2744 64.6344 37.4333 178.2599 10 K 4.0964 8.2764 120.0406 59.4579 31.6305 178.6709 11 L 4.1256 7.9480 119.2304 57.4278 41.7449 178.9153 12 T 4.1218 7.7535 108.5869 64.5533 69.3696 176.2967 13 T 4.2937 8.2312 111.3841 60.9929 69.4910 175.7933 14 G 3.8979 7.9337 108.3341 45.3408 0.0000 172.8824 15 K 4.5645 7.4019 117.0802 53.8166 35.5741 175.6894 16 E 3.9158 8.6072 117.9271 56.5472 28.1403 177.2354 17 A 3.8908 8.5166 126.1004 56.1276 18.6539 178.4601 18 A 3.8893 7.7077 117.4551 55.1038 18.4064 179.7131 19 L 4.4270 7.8236 116.0913 57.8832 42.0785 179.4373 20 S 4.2882 7.8676 116.4553 60.8817 62.7027 175.8407 *22 Y 4.6578 7.1064 114.6733 57.3076 39.6554 176.2519 23 G 3.2974 8.0356 109.5259 47.4114 0.0000 175.1851 24 F 5.0094 7.9162 115.2147 56.8642 41.8866 173.6461 25 Y 4.2225 8.2522 123.2917 58.7718 39.5831 177.0450 26 G 4.2296 7.3202 114.3603 45.6510 0.0000 172.3818 27 C 4.6330 8.5659 113.8733 58.1163 39.4901 174.7317 28 H 4.6060 8.0007 115.0501 56.4381 30.8324 176.1054 29 C 4.5291 8.3166 115.1292 58.8096 41.4216 173.8949 30 G 4.6174 7.2690 112.6901 44.3545 0.0000 176.8490 31 V 4.3834 8.8733 124.2942 61.5361 33.1283 174.7030 32 G 4.1217 8.1358 107.4659 44.1204 0.0000 173.9264 33 G 3.8755 8.3921 110.6248 43.4414 0.0000 172.0934 34 R 4.3475 8.2706 125.7848 54.8587 30.6001 178.1059 35 G 4.2925 7.9936 117.6248 47.1800 0.0000 174.1451 36 S 4.5575 8.6698 119.3524 56.4254 63.6079 172.0682 37 P 4.5073 0.0000 0.0000 62.6349 31.7891 176.9587 38 K 3.9660 8.5732 121.5928 59.4313 32.2605 176.1650 39 D 4.5341 7.9723 115.6127 52.7056 44.4261 174.7843 40 A 4.0699 8.8104 118.6797 55.9379 18.5036 180.0228 41 T 4.0510 8.0417 113.7670 67.0183 67.9828 176.3347 42 D 4.6949 8.1066 120.3153 56.9280 40.7859 178.5626 43 R 4.0593 7.9041 118.9826 59.1139 29.5908 177.6694 44 C 4.1580 7.9126 115.4277 59.8082 41.0840 175.2405 45 C 4.3958 8.0977 117.9920 59.4118 40.7858 176.1805 46 V 3.5133 7.3963 119.9465 65.2175 31.0003 178.7001 47 T 3.8586 8.1402 116.7436 66.3856 68.2132 176.2445 48 H 4.0551 7.7621 119.5384 58.9854 29.8121 177.0898 49 D 4.1484 8.0596 120.8957 57.5112 40.5453 178.0906 50 C 4.2837 8.1526 116.9313 60.1429 38.4433 175.3684 51 C 4.2057 8.1593 120.0092 60.0280 43.0414 175.2151 52 Y 3.9228 7.9258 116.8214 60.1807 37.5449 177.8368 53 K 4.1131 8.1388 121.2426 59.4291 32.1624 178.4232 54 R 3.9742 7.4531 117.7483 59.3880 30.0274 178.9334 55 L 4.2507 7.1976 117.3320 54.3365 40.8606 176.8884 56 E 4.1954 7.6984 118.2969 55.2858 29.9350 175.9559 57 K 4.1636 7.8382 123.9391 56.9573 34.8531 173.5590 58 R 4.6153 8.2296 117.1591 55.4267 30.2619 176.9203 59 G 3.9449 7.6700 105.9811 45.2187 0.0000 175.2921 *61 C 4.2208 8.5984 123.0092 56.7354 40.6636 173.0725 *67 G 3.4824 7.6935 110.3719 45.0995 0.0000 170.2875 68 T 3.8699 7.7794 106.9517 61.4669 69.1798 175.7691 69 K 4.1753 9.3364 125.8298 58.3987 33.5846 178.8932 70 F 4.7604 8.2989 112.3678 56.4550 39.1245 175.3308 71 L 3.8579 6.6078 124.1933 54.3095 42.4247 176.0903 72 S 4.5668 8.2310 120.3789 57.8730 63.5616 172.0441 73 Y 4.8082 7.5111 121.0208 56.1474 40.8069 173.6030 74 K 4.8949 8.6208 119.6071 54.7369 35.2238 175.3181 75 F 5.4506 8.3380 117.5463 55.8225 41.1154 173.5595 76 S 4.8462 9.4725 116.3141 56.7450 66.4952 173.1014 77 N 5.5633 8.5549 120.1655 51.1102 40.3362 174.9484 78 S 4.6648 8.3104 111.4220 59.3051 67.9505 177.2507 79 G 3.9077 8.7123 106.6640 46.8369 0.0000 174.4413 80 S 4.6186 7.5830 111.1259 57.6992 66.8682 175.0398 81 R 4.2197 7.9670 123.7138 56.8437 28.7595 177.9646 82 I 5.0574 8.2825 113.3165 59.4505 40.0035 174.4238 83 T 4.6706 9.0403 119.5377 62.0069 72.0771 172.5887 84 C 4.8482 8.9659 124.4605 56.3511 40.6885 174.0771 85 A 4.2607 9.4148 133.1609 52.9849 19.9432 176.6073 86 K 4.8154 7.8624 109.6330 56.2841 36.6655 177.0135 *88 Q 4.2054 8.6830 113.1692 56.7407 30.4964 175.2993 89 D 4.1213 6.8993 114.6192 50.5866 43.9538 176.1127 90 S 4.0086 8.6825 120.7997 61.9189 62.3984 177.1756 91 C 4.2261 8.1304 118.2872 60.2430 37.3993 176.3381 92 R 3.6843 8.3100 119.0560 58.7378 29.6824 179.3731 93 S 4.0678 7.9369 115.6043 61.5144 62.9273 176.5871 94 Q 4.0666 7.7636 121.6239 58.0776 28.4927 178.4031 95 L 3.7209 7.9724 121.6788 58.2899 42.1910 178.1778 96 C 3.0200 7.4796 118.2914 59.0538 41.7283 175.1952 97 E 3.7632 7.6465 120.5381 59.3231 29.2248 178.0760 98 C 4.2476 8.0635 116.3853 60.0927 41.2160 175.5426 99 D 3.8767 7.8173 120.1664 57.2782 40.4866 178.8124 100 K 3.6975 7.8803 119.4840 59.5530 32.0995 178.3199 101 A 3.8343 7.6431 120.0015 55.3144 18.3444 179.4910 102 A 3.4773 7.9037 118.8303 55.0147 18.1427 179.5853 103 A 4.0413 8.1022 119.4679 54.7904 18.5760 179.6624 104 T 3.9320 7.7891 108.4625 64.3046 69.1783 176.4290 105 C 4.1406 8.0224 121.4724 59.5035 43.4189 175.4227 106 F 4.3295 7.4567 117.6360 60.8150 38.5986 177.3387 107 A 4.1356 7.5154 118.5872 55.0876 18.1258 179.6856 108 R 4.0693 7.8324 116.1195 58.8114 30.5687 178.1909 109 N 4.9620 7.9991 114.9173 53.5590 40.0666 177.4643 110 K 4.2955 8.0640 122.2255 59.4301 32.4356 178.6684 111 T 3.9699 8.0832 108.3225 63.9628 68.6929 174.5992 112 T 4.4490 7.7228 109.3969 60.9404 69.5725 173.7188 113 Y 4.0354 8.0509 125.2212 58.2003 39.3544 174.1994 114 N 4.9261 8.5557 125.8176 51.1287 40.4108 175.3135 115 K 3.9834 8.4264 124.9337 58.8577 32.9727 178.8464 116 K 3.8570 7.7178 120.8401 58.9393 32.3154 176.8662 117 Y 4.3082 7.0926 114.7879 57.5879 38.4623 176.9542 118 Q 3.6471 6.9961 121.4964 58.9202 28.8898 177.5027 119 Y 4.5717 7.4147 117.9427 55.9302 37.7839 172.5175 120 Y 4.5995 8.2554 123.0100 55.2476 39.5367 175.8513 121 S 4.1714 8.1743 124.0629 58.7044 63.6654 174.4794 122 N 4.4212 8.9325 122.1618 55.7902 39.1647 177.5878 123 K 4.5139 7.3068 116.9238 59.7755 32.8410 176.2154 124 H 4.8075 8.2985 110.9751 55.1919 29.8944 172.7514 125 C 4.5679 7.8731 119.8160 56.8800 41.7228 173.8537 126 R 4.5657 8.7532 121.4346 55.1857 32.2061 174.5938 127 G 3.7227 8.2572 110.4275 44.5484 0.0000 172.5438 128 S 4.6714 8.4183 115.9712 56.8304 65.1328 173.5393 129 T 4.3207 8.2194 118.7172 62.4701 67.8600 172.9375 130 P 4.1966 0.0000 0.0000 62.6237 31.1698 176.4396 131 R 3.8119 8.5063 121.5082 56.7399 30.5948 177.5782 132 C 4.4549 8.7123 118.1062 57.3278 41.3171 173.5323 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 N 8.28 4.84 0.00 3.13 3.05 0.00 0.00 6.11 5.79 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 2 L 8.21 3.87 0.00 1.74 1.79 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.69 3.59 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 1.09 0.00 0.00 0.95 0.00 0.00 4 N 8.11 4.44 0.00 2.85 2.49 0.00 0.00 6.54 7.64 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 5 F 8.76 4.65 0.00 3.30 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 6 H 8.51 4.16 0.00 3.26 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.68 3.94 0.00 2.03 2.29 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.73 0.00 8 M 8.15 4.08 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.31 0.00 9 I 7.92 3.53 1.65 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.10 0.45 0.00 0.00 10 K 8.28 4.10 0.00 1.78 2.13 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.65 7.81 11 L 7.95 4.13 0.00 1.86 1.76 1.15 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.75 4.12 4.21 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 1.24 0.00 0.00 13 T 8.23 4.29 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 14 G 7.93 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 0.00 0.00 0.00 15 K 7.40 4.56 0.00 1.70 1.65 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.34 1.21 7.81 16 E 8.61 3.92 0.00 2.14 2.20 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 2.35 2.28 0.00 17 A 8.52 3.89 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 18 A 7.71 3.89 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 19 L 7.82 4.43 0.00 1.72 1.87 1.27 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.87 4.29 0.00 3.57 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 *22 Y 7.11 4.66 0.00 2.83 2.57 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 0.00 0.00 0.00 0.00 23 G 8.04 3.30 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 0.00 24 F 7.92 5.01 0.00 3.37 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 25 Y 8.25 4.22 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.32 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 0.00 0.00 0.00 0.00 27 C 8.57 4.63 0.00 2.96 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 28 H 8.00 4.61 0.00 3.38 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.32 4.53 0.00 3.29 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.27 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.87 4.38 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 0.92 0.00 0.00 1.00 0.00 0.00 32 G 8.14 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.39 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 34 R 8.27 4.35 0.00 1.76 1.82 0.00 3.66 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.87 0.00 35 G 7.99 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 0.00 0.00 0.00 36 S 8.67 4.56 0.00 3.89 3.81 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 37 P 0.00 4.51 0.00 2.06 2.14 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 38 K 8.57 3.97 0.00 1.48 1.01 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.21 7.81 39 D 7.97 4.53 0.00 2.91 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.81 4.07 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 41 T 8.04 4.05 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 0.89 0.00 0.00 42 D 8.11 4.69 0.00 3.03 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 43 R 7.90 4.06 0.00 1.97 2.10 0.00 3.14 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 44 C 7.91 4.16 0.00 3.03 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 45 C 8.10 4.40 0.00 3.34 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 46 V 7.40 3.51 1.85 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 0.90 0.00 0.00 0.87 0.00 0.00 47 T 8.14 3.86 4.16 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 1.15 0.00 0.00 48 H 7.76 4.06 0.00 3.23 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.06 4.15 0.00 2.84 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 50 C 8.15 4.28 0.00 3.13 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 51 C 8.16 4.21 0.00 3.13 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 52 Y 7.93 3.92 0.00 3.05 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 53 K 8.14 4.11 0.00 2.01 1.81 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.50 7.81 54 R 7.45 3.97 0.00 1.79 2.13 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 55 L 7.20 4.25 0.00 1.56 1.60 0.74 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.70 4.20 0.00 2.07 2.42 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 2.30 2.39 0.00 57 K 7.84 4.16 0.00 1.81 2.06 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.20 7.81 58 R 8.23 4.62 0.00 1.85 1.93 0.00 3.30 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 59 G 7.67 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 *61 C 8.60 4.22 0.00 3.26 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 *67 G 7.69 3.48 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 0.00 0.00 0.00 0.00 68 T 7.78 3.87 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 0.83 0.00 0.00 69 K 9.34 4.18 0.00 2.15 2.38 0.00 1.61 0.00 0.00 1.98 0.00 0.00 3.16 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.75 1.67 7.81 70 F 8.30 4.76 0.00 3.26 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 71 L 6.61 3.86 0.00 1.02 1.25 0.83 0.71 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 72 S 8.23 4.57 0.00 3.81 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 73 Y 7.51 4.81 0.00 3.00 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 74 K 8.62 4.89 0.00 1.74 1.69 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.45 7.81 75 F 8.34 5.45 0.00 3.30 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 76 S 9.47 4.85 0.00 3.78 3.73 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 0.00 0.00 0.00 0.00 77 N 8.55 5.56 0.00 2.92 3.06 0.00 0.00 5.99 7.64 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 78 S 8.31 4.66 0.00 3.98 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 79 G 8.71 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 80 S 7.58 4.62 0.00 3.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.97 4.22 0.00 2.03 1.32 0.00 3.01 0.00 0.00 3.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 82 I 8.28 5.06 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.95 0.90 0.00 0.00 83 T 9.04 4.67 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 84 C 8.97 4.85 0.00 2.84 3.01 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 85 A 9.41 4.26 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 86 K 7.86 4.82 0.00 1.88 1.39 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.47 7.81 *88 Q 8.68 4.21 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.21 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 89 D 6.90 4.12 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.68 4.01 0.00 3.90 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 91 C 8.13 4.23 0.00 3.08 3.03 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 92 R 8.31 3.68 0.00 1.89 2.07 0.00 3.13 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 93 S 7.94 4.07 0.00 4.04 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 94 Q 7.76 4.07 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 95 L 7.97 3.72 0.00 1.59 1.51 0.50 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.48 3.02 0.00 2.08 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 97 E 7.65 3.76 0.00 1.98 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 2.22 2.42 0.00 98 C 8.06 4.25 0.00 3.23 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 99 D 7.82 3.88 0.00 2.72 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.88 3.70 0.00 1.91 1.72 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.36 7.81 101 A 7.64 3.83 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 0.00 102 A 7.90 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.10 4.04 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 0.00 104 T 7.79 3.93 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 1.16 0.00 0.00 105 C 8.02 4.14 0.00 2.94 3.03 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 0.00 106 F 7.46 4.33 0.00 2.87 2.48 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 0.00 107 A 7.52 4.14 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 0.00 108 R 7.83 4.07 0.00 1.95 2.00 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 109 N 8.00 4.96 0.00 2.80 2.90 0.00 0.00 7.13 7.23 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 0.00 110 K 8.06 4.30 0.00 1.82 1.86 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.50 7.81 111 T 8.08 3.97 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 112 T 7.72 4.45 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 1.25 0.00 0.00 113 Y 8.05 4.04 0.00 3.02 3.01 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 0.00 114 N 8.56 4.93 0.00 2.43 1.83 0.00 0.00 6.56 6.24 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 0.00 115 K 8.43 3.98 0.00 1.96 2.10 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.37 7.81 116 K 7.72 3.86 0.00 1.57 1.60 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.24 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.25 1.39 7.81 117 Y 7.09 4.31 0.00 1.43 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 0.00 0.00 0.00 0.00 118 Q 7.00 3.65 0.00 1.85 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.03 0.00 0.00 0.00 0.00 0.00 1.48 2.20 0.00 119 Y 7.41 4.57 0.00 2.98 2.73 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 0.00 0.00 0.00 0.00 120 Y 8.26 4.60 0.00 2.89 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 0.00 121 S 8.17 4.17 0.00 3.79 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 0.00 122 N 8.93 4.42 0.00 2.72 2.79 0.00 0.00 7.19 6.75 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 0.00 123 K 7.31 4.51 0.00 1.52 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.31 7.81 124 H 8.30 4.81 0.00 3.13 3.18 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 7.87 4.57 0.00 2.96 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 0.00 126 R 8.75 4.57 0.00 1.74 1.83 0.00 3.26 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 127 G 8.26 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 0.00 0.00 0.00 128 S 8.42 4.67 0.00 3.89 3.79 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 0.00 129 T 8.22 4.32 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 1.23 0.00 0.00 130 P 0.00 4.20 0.00 1.99 2.02 0.00 3.61 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 131 R 8.51 3.81 0.00 1.79 1.91 0.00 3.37 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 1.65 1.65 0.00 132 C 8.71 4.45 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.