NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.4129 8.1733 120.0834 56.3151 34.3091 174.4542 5 T 5.0681 7.8778 115.8311 59.9363 73.0622 171.4219 6 I 4.8325 9.5367 120.2959 59.2221 40.9245 174.4315 7 S 4.9055 8.7627 122.9930 58.3775 63.9709 173.7235 8 R 4.7933 8.4502 120.4799 55.3392 35.1751 174.1156 9 T 5.0190 8.4519 111.8542 59.9985 71.2928 173.0134 10 I 4.3657 8.6809 121.3638 59.4613 39.1917 175.0971 11 E 4.8381 8.8319 126.5323 54.5313 31.4983 178.1730 12 S 4.4819 8.5814 114.8001 58.9602 62.8816 176.4848 *18 Q 3.7163 8.7735 111.4901 54.4773 28.9586 171.8638 19 P 4.4300 0.0000 0.0000 63.0895 32.8123 176.4300 20 T 4.7137 8.3104 115.6407 63.2618 70.1113 174.0248 21 L 5.3485 8.5382 124.3655 53.1605 45.1686 175.2365 22 D 5.1412 8.9344 122.9096 53.4226 43.1702 176.2262 23 V 4.7064 8.4008 122.1527 61.0641 34.6874 173.5098 24 I 4.7239 8.3113 129.4874 60.1852 38.9541 175.0218 25 A 5.6103 8.5558 127.8797 49.8215 22.3557 174.6759 26 T 4.8227 8.7800 119.6800 61.9290 70.4958 174.2783 27 L 4.6947 8.6826 125.8043 54.0780 44.0016 173.2955 28 P 4.3327 0.0000 0.0000 62.1659 31.8562 175.5521 29 A 4.1214 8.7269 125.3571 53.0971 19.8074 180.3676 30 D 3.8678 8.1634 108.1973 52.9786 41.2972 179.5889 *34 K 4.2585 9.1345 121.1579 55.6127 34.0832 174.9436 35 K 4.2827 7.9294 115.5272 57.1465 32.7214 176.4943 36 I 3.9299 7.6116 120.4515 60.3972 36.8575 173.7070 37 P 4.8843 0.0000 0.0000 62.3285 32.6307 176.1500 38 I 4.2053 8.4736 123.1932 61.3959 38.6539 174.8643 39 S 5.2196 9.3518 121.0228 56.4980 65.7312 172.4418 40 L 4.8084 9.7195 128.8851 53.4717 44.7678 174.7866 41 V 4.6647 9.0008 128.1839 61.8033 33.5254 175.3277 42 V 5.2436 8.3829 127.4745 60.1423 34.6698 174.1358 43 G 3.7463 8.0338 111.1008 41.9988 0.0000 171.1501 44 F 5.0270 7.8238 118.6200 57.2316 39.1390 176.0588 45 K 4.2612 8.8295 125.4224 56.6808 32.9759 175.8501 46 Q 4.5215 8.3976 123.9125 54.4686 32.0019 174.8404 47 E 4.2870 8.3197 124.6990 54.6927 29.6780 174.4078 *52 S 4.3879 7.6855 118.0770 56.7110 64.8489 176.4115 53 S 4.5282 7.3816 118.2650 57.2682 65.9740 173.2918 54 S 4.8974 8.4373 114.2363 57.8782 63.7497 174.2392 55 S 4.8421 9.0036 118.3890 56.3302 66.3470 172.3943 56 L 4.5120 8.3191 122.8478 54.4937 42.1387 175.9005 57 S 4.7471 8.6608 122.3335 60.1751 64.9758 174.6144 58 C 5.0236 7.9780 118.4958 58.4968 35.1128 172.1099 59 Y 5.6722 9.1937 127.4222 56.5042 41.4353 173.5644 60 Y 4.9406 8.8096 124.8477 56.5781 43.0658 172.7301 61 Y 5.1514 8.1660 125.1996 56.1454 42.8475 173.7304 62 A 4.6785 7.1156 123.3248 51.2260 23.3984 175.0695 63 I 4.6020 8.3548 119.4671 58.9511 41.8405 172.3443 64 P 4.8646 0.0000 0.0000 62.0003 32.5873 175.8061 65 L 4.2465 7.8871 120.7122 55.1277 41.9924 177.1102 66 M 4.3899 8.4874 121.7237 54.5876 33.1529 176.7570 67 R 4.3622 8.3209 114.7711 56.7596 29.9264 177.8409 68 D 4.8187 7.3218 119.3743 51.7323 39.2091 174.4458 69 R 4.1291 7.8396 128.5257 57.5603 37.6058 176.8941 *78 S 4.1908 9.2130 117.0292 58.6267 63.6553 171.5342 79 N 4.7759 7.8475 117.3376 53.4926 40.2116 175.0349 80 V 4.6214 7.9967 118.9169 60.4354 35.2668 174.7390 81 V 4.5241 8.6524 119.4792 60.5382 34.7753 174.1211 82 G 4.3219 8.4010 107.9327 46.2003 0.0000 172.0486 83 I 4.5623 7.9212 119.5436 58.1967 42.0389 172.0946 84 P 4.0114 0.0000 0.0000 63.0905 30.9908 176.0540 85 L 3.9869 8.4505 125.2792 57.0587 42.2737 177.4946 86 L 4.6435 7.9355 124.3796 53.1685 44.3008 175.3601 87 D 5.2720 8.6550 126.5644 54.2651 42.7880 174.5005 88 T 4.7370 8.0736 112.6491 60.5142 70.1421 173.5943 89 K 4.0705 8.6230 124.7899 58.7003 32.6451 177.4874 90 D 4.6651 8.3669 119.6780 53.0502 41.9799 176.4195 91 D 4.3588 8.6857 127.5163 57.5967 40.9279 178.8070 92 R 3.8664 8.1175 117.9411 59.3631 30.0529 179.0615 93 I 3.4502 7.6148 118.9142 64.4022 37.1184 177.8358 94 R 3.8753 7.8897 119.3298 59.7488 29.8823 177.8932 95 D 4.2420 8.4825 118.5434 57.6825 40.9351 178.8626 96 M 3.7995 8.0864 118.1866 58.6877 32.0722 178.2365 97 A 3.9686 8.1723 121.2737 55.0342 18.5004 179.3463 98 R 2.5871 8.2847 118.5659 59.0481 30.0818 177.7959 99 H 3.8484 8.5684 118.1740 59.8549 29.9282 176.8086 100 M 3.9896 8.1415 119.2966 58.4291 31.9583 178.0162 101 A 4.0402 7.5666 120.8347 55.1177 18.9120 179.2074 102 T 3.7795 8.1767 114.6746 67.3213 68.5588 176.6744 103 I 3.7002 7.8640 121.0481 64.3149 37.1548 178.5381 104 I 3.8733 7.6775 120.5535 64.6107 36.4953 178.4568 105 S 4.6090 8.1381 115.1313 60.8279 62.0780 175.7065 106 E 3.8838 8.1963 122.0282 59.3839 29.2050 178.6980 107 R 3.9697 8.0082 117.1148 58.1182 30.2444 177.2552 108 F 4.4439 8.3179 115.4411 56.1678 40.4037 175.2935 109 N 4.1683 7.7083 115.6365 53.9772 37.8488 173.2110 110 R 4.9302 7.7535 118.1247 53.8763 35.8869 174.9362 111 P 4.7867 0.0000 0.0000 62.6602 32.9993 174.8344 112 C 5.4636 8.6113 115.3707 56.9970 33.6145 172.0884 113 Y 5.2333 9.3347 119.2507 56.4550 40.1865 174.7960 114 V 5.0135 9.2663 124.3539 61.4794 34.8979 174.0382 115 T 5.3329 9.3315 124.7173 61.7243 71.1843 173.1409 116 W 5.2240 9.0125 135.0000 56.1902 32.0468 175.6154 117 S 4.7501 7.5922 121.9805 57.5154 65.0571 173.2113 118 S 4.8761 9.0169 116.7979 56.5978 66.5894 173.7666 119 L 4.1336 9.1138 124.0070 54.7265 42.2809 176.8218 120 P 3.7586 0.0000 0.0000 64.3137 32.2425 176.4597 121 S 4.6522 7.2088 111.9209 59.0709 63.0125 173.4283 122 E 3.6657 7.8746 117.9839 54.2994 29.1948 176.0050 123 D 4.6882 8.7928 126.4588 52.7712 42.7005 174.6185 124 P 4.3320 0.0000 0.0000 66.2985 31.8908 178.2825 125 S 4.1506 9.1604 114.3465 62.2988 62.4670 176.6137 126 M 4.0709 7.8453 121.0228 58.6377 31.5802 179.0656 127 L 4.0252 8.2840 118.7480 57.8108 41.7611 179.2785 128 V 3.5440 7.8673 115.9682 66.2551 31.4885 177.5350 129 A 4.2479 8.5165 118.6305 53.9172 18.4212 177.5650 130 N 5.0400 7.4877 112.4543 52.6198 39.9454 175.6074 131 H 3.6107 7.9684 116.7473 60.3791 29.8683 176.4147 132 L 4.0405 7.9457 119.5668 58.0289 41.7525 179.1230 133 Y 4.1686 7.9913 118.8749 60.7891 38.9206 177.7039 134 I 3.4082 8.0334 121.0514 64.0792 37.1148 177.7860 135 L 3.8471 7.5495 120.6421 58.2200 41.8407 178.8355 136 K 3.8406 7.7748 118.5697 59.7342 32.0730 178.8545 137 K 4.2037 7.9322 117.8486 58.6985 31.8655 179.1984 138 C 4.1465 7.9707 117.6160 62.3621 28.3444 175.5599 139 L 4.1158 8.4983 120.9825 58.1913 41.2223 179.2516 140 D 4.4132 8.5184 118.8777 57.4608 40.7063 178.6960 141 L 3.9147 7.6738 120.5666 58.0679 42.2868 178.5652 142 L 3.7368 7.7540 118.7684 57.8680 41.2222 179.4148 143 K 4.2076 8.7710 119.4156 60.2097 31.8449 178.5004 144 T 3.9550 8.0661 114.6633 66.9086 68.6026 175.9944 145 E 4.2635 8.3871 117.6501 58.2506 29.5436 176.7751 146 L 4.6189 9.1127 115.9981 52.5558 45.2206 176.7983 147 G 3.7178 7.9253 113.9855 46.5105 0.0000 171.8025 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 4 K 8.17 4.41 0.00 1.71 2.13 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 5 T 7.88 5.07 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 1.19 0.00 0.00 6 I 9.54 4.83 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.90 0.00 0.00 7 S 8.76 4.91 0.00 3.76 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 8 R 8.45 4.79 0.00 1.68 1.76 0.00 3.22 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 9 T 8.45 5.02 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 1.34 0.00 0.00 10 I 8.68 4.37 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.92 0.00 0.00 11 E 8.83 4.84 0.00 1.91 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 2.29 2.27 0.00 12 S 8.58 4.48 0.00 3.92 2.92 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 *18 Q 8.77 3.72 0.00 1.86 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 1.58 2.10 0.00 19 P 0.00 4.43 0.00 2.06 1.93 0.00 3.71 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 1.75 2.00 0.00 20 T 8.31 4.71 4.31 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 1.27 0.00 0.00 21 L 8.54 5.35 0.00 1.69 1.57 1.34 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.93 5.14 0.00 2.55 2.51 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 23 V 8.40 4.71 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 1.29 0.00 0.00 0.92 0.00 0.00 24 I 8.31 4.72 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.36 0.88 0.00 0.00 25 A 8.56 5.61 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 0.00 0.00 26 T 8.78 4.82 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 1.24 0.00 0.00 27 L 8.68 4.69 0.00 1.52 1.57 0.88 0.78 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 28 P 0.00 4.33 0.00 2.06 2.03 0.00 3.64 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 2.03 2.09 0.00 29 A 8.73 4.12 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 30 D 8.16 3.87 0.00 2.82 2.18 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 *34 K 9.13 4.26 0.00 1.77 1.94 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.56 7.81 35 K 7.93 4.28 0.00 1.81 1.88 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 36 I 7.61 3.93 1.90 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 1.49 0.37 0.93 0.00 0.00 37 P 0.00 4.88 0.00 2.51 2.34 0.00 3.84 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 2.15 2.31 0.00 38 I 8.47 4.21 1.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.63 0.85 0.00 0.00 39 S 9.35 5.22 0.00 3.87 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 40 L 9.72 4.81 0.00 1.77 1.57 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 V 9.00 4.66 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 0.81 0.00 0.00 0.88 0.00 0.00 42 V 8.38 5.24 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 0.67 0.00 0.00 1.03 0.00 0.00 43 G 8.03 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.82 5.03 0.00 3.01 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 45 K 8.83 4.26 0.00 1.98 1.90 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.41 7.81 46 Q 8.40 4.52 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 47 E 8.32 4.29 0.00 1.90 1.79 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 2.18 2.23 0.00 *52 S 7.69 4.39 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.38 4.53 0.00 3.91 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 54 S 8.44 4.90 0.00 3.82 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 55 S 9.00 4.84 0.00 3.83 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 56 L 8.32 4.51 0.00 1.58 1.56 0.98 0.70 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 57 S 8.66 4.75 0.00 4.22 4.08 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 58 C 7.98 5.02 0.00 3.13 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 59 Y 9.19 5.67 0.00 3.07 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 60 Y 8.81 4.94 0.00 3.13 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 61 Y 8.17 5.15 0.00 2.60 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 62 A 7.12 4.68 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 63 I 8.35 4.60 1.51 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 1.24 1.38 0.88 0.00 0.00 64 P 0.00 4.86 0.00 2.09 1.99 0.00 3.76 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 1.94 1.97 0.00 65 L 7.89 4.25 0.00 1.58 1.63 0.91 0.86 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 66 M 8.49 4.39 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 67 R 8.32 4.36 0.00 1.91 2.00 0.00 3.03 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 68 D 7.32 4.82 0.00 2.97 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 69 R 7.84 4.13 0.00 1.89 1.52 0.00 3.23 0.00 0.00 3.14 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 *78 S 9.21 4.19 0.00 3.83 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 79 N 7.85 4.78 0.00 2.67 2.72 0.00 0.00 6.47 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.00 4.62 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 0.71 0.00 0.00 0.89 0.00 0.00 81 V 8.65 4.52 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 0.82 0.00 0.00 0.92 0.00 0.00 82 G 8.40 4.32 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 0.00 83 I 7.92 4.56 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.47 0.81 0.00 0.00 84 P 0.00 4.01 0.00 2.10 2.17 0.00 3.65 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 85 L 8.45 3.99 0.00 1.10 1.71 0.72 0.51 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 86 L 7.94 4.64 0.00 1.92 1.78 0.98 1.11 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 87 D 8.65 5.27 0.00 2.77 2.63 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 88 T 8.07 4.74 4.41 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 1.35 0.00 0.00 89 K 8.62 4.07 0.00 1.82 1.89 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.46 7.81 90 D 8.37 4.67 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.69 4.36 0.00 2.72 2.85 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 92 R 8.12 3.87 0.00 1.95 1.91 0.00 3.11 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 93 I 7.61 3.45 1.92 0.00 0.00 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 1.50 0.81 1.10 0.00 0.00 94 R 7.89 3.88 0.00 2.09 2.00 0.00 3.19 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 95 D 8.48 4.24 0.00 2.63 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 96 M 8.09 3.80 0.00 1.94 1.76 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.58 0.00 97 A 8.17 3.97 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 98 R 8.28 2.59 0.00 0.72 1.57 0.00 3.21 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 99 H 8.57 3.85 0.00 3.27 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 M 8.14 3.99 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 101 A 7.57 4.04 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 0.00 102 T 8.18 3.78 4.31 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 1.13 0.00 0.00 103 I 7.86 3.70 1.96 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.40 0.91 0.00 0.00 104 I 7.68 3.87 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 0.99 0.00 0.00 105 S 8.14 4.61 0.00 4.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.20 3.88 0.00 2.05 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 2.25 2.27 0.00 107 R 8.01 3.97 0.00 1.69 1.95 0.00 3.11 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.92 0.00 108 F 8.32 4.44 0.00 3.19 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.71 4.17 0.00 2.79 2.86 0.00 0.00 6.88 7.53 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 0.00 110 R 7.75 4.93 0.00 1.76 1.78 0.00 3.23 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.92 0.00 111 P 0.00 4.79 0.00 2.11 2.05 0.00 3.85 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 2.18 1.88 0.00 112 C 8.61 5.46 0.00 3.17 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 0.00 113 Y 9.33 5.23 0.00 3.11 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 0.00 114 V 9.27 5.01 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 1.12 0.00 0.00 1.02 0.00 0.00 115 T 9.33 5.33 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 116 W 9.01 5.22 0.00 3.46 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 0.00 117 S 7.59 4.75 0.00 3.89 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 0.00 118 S 9.02 4.88 0.00 3.74 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 0.00 119 L 9.11 4.13 0.00 1.86 1.63 0.94 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 3.76 0.00 2.07 1.97 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 121 S 7.21 4.65 0.00 3.81 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 0.00 122 E 7.87 3.67 0.00 2.24 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 2.54 2.55 0.00 123 D 8.79 4.69 0.00 2.74 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 0.00 124 P 0.00 4.33 0.00 2.24 2.16 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 125 S 9.16 4.15 0.00 3.81 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 0.00 126 M 7.85 4.07 0.00 1.87 2.40 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 127 L 8.28 4.03 0.00 1.94 1.65 0.99 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.87 3.54 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 0.83 0.00 0.00 0.96 0.00 0.00 129 A 8.52 4.25 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 0.00 130 N 7.49 5.04 0.00 3.39 3.16 0.00 0.00 6.41 8.04 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 0.00 131 H 7.97 3.61 0.00 3.18 3.19 0.00 5.79 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 0.00 132 L 7.95 4.04 0.00 1.77 1.77 0.93 0.72 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 Y 7.99 4.17 0.00 3.10 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 0.00 134 I 8.03 3.41 1.76 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 1.51 0.78 0.93 0.00 0.00 135 L 7.55 3.85 0.00 1.93 1.72 0.78 0.63 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 0.00 136 K 7.77 3.84 0.00 1.90 1.93 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.50 7.81 137 K 7.93 4.20 0.00 1.49 1.69 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.64 1.11 7.81 138 C 7.97 4.15 0.00 3.18 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 0.00 139 L 8.50 4.12 0.00 1.80 1.80 1.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.52 4.41 0.00 2.64 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.67 3.91 0.00 1.81 1.79 0.91 0.62 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 0.00 142 L 7.75 3.74 0.00 2.00 1.10 0.77 0.57 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 0.00 143 K 8.77 4.21 0.00 2.02 2.29 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.62 7.81 144 T 8.07 3.95 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 0.00 145 E 8.39 4.26 0.00 1.98 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 2.33 2.47 0.00 146 L 9.11 4.62 0.00 1.79 1.61 0.84 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.93 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 * Residues marked with a * may have inaccurate shift predictions.