NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *10 C 4.5657 8.3293 117.6236 57.1083 30.0038 172.9152 11 P 4.5435 0.0000 0.0000 62.9011 32.6896 173.2727 12 L 5.1005 7.7949 122.4655 53.6270 45.0066 176.1639 13 M 4.9263 9.0469 125.8060 53.6773 35.9514 174.0029 14 V 4.8855 8.4486 124.6144 60.9492 35.1485 174.0233 15 K 4.9974 9.0573 128.0683 54.6357 35.8286 174.8164 16 V 4.7584 8.9230 126.7421 61.1348 34.5282 174.1394 17 L 5.1011 8.9555 127.4462 52.9221 45.6761 174.9160 18 D 5.2276 8.9803 121.6082 52.8001 42.3000 176.6886 19 A 4.2574 9.2035 128.8154 54.1055 18.7017 178.8028 20 V 3.8461 8.5318 114.7413 65.3754 31.9124 176.9541 21 R 4.3533 8.8654 116.4356 55.3271 31.1983 175.9365 22 G 3.8720 8.3505 105.8850 45.9220 0.0000 172.7160 23 S 4.8508 7.3929 111.6932 55.6573 67.2626 172.7651 24 P 4.6216 0.0000 0.0000 62.9863 32.0875 175.7052 25 A 4.5171 8.5999 124.0388 50.6561 19.8818 176.4059 26 I 4.2408 8.4175 115.7055 60.5692 39.8692 175.0715 27 N 4.1854 8.5238 118.9500 54.3864 36.7986 174.3544 28 V 4.0893 7.6886 118.1995 61.7768 33.0717 174.9716 29 A 4.5991 8.6210 130.1678 51.9931 19.8328 176.0066 30 V 4.7708 8.9021 122.4121 61.3117 34.8810 173.8387 31 H 5.1302 9.4028 125.3084 53.9733 31.4912 173.1656 32 V 4.9261 8.7239 123.4468 61.3244 34.2301 174.4279 33 F 5.5295 9.5342 124.0854 55.8740 43.6528 173.4998 34 R 4.7436 9.2070 121.9812 54.2405 32.4834 175.0215 35 K 3.7658 8.7936 127.9069 56.1199 32.7809 176.0789 36 A 4.4791 8.5187 128.8583 50.1474 22.0136 177.0223 *37 A 4.1127 8.0602 118.4524 52.0672 19.8911 176.3125 38 D 4.6316 8.1663 117.1617 52.7591 39.8595 176.0714 39 D 4.0986 8.4897 120.2116 56.3601 38.9186 174.3185 40 T 4.4016 7.3363 112.6721 60.0327 70.9945 177.1971 41 W 5.0437 8.6645 124.8301 56.3917 30.3416 176.1396 42 E 4.7620 9.2397 124.4166 54.3927 31.1211 170.4795 43 P 4.1333 0.0000 0.0000 62.8801 31.2792 175.2534 44 F 4.7832 8.6025 126.3820 59.1898 41.5550 175.0738 45 A 4.3722 7.5971 117.2966 51.9057 22.0441 174.9767 46 S 4.7139 7.7904 112.8571 57.5311 66.2797 173.3420 47 G 3.9481 7.5239 105.8140 46.4132 0.0000 171.9553 48 K 5.3567 8.4463 118.0043 54.2620 35.8085 176.9714 49 T 4.2805 8.5542 113.4082 61.9487 70.3109 175.0087 50 S 4.8535 8.6420 118.3491 57.3968 65.1908 174.4273 51 E 3.9849 8.6453 118.6765 58.8980 29.2383 177.8282 52 S 4.4155 7.8534 111.8768 57.7962 63.5389 174.9655 53 G 3.8953 8.4814 109.8809 45.2699 0.0000 172.6648 54 E 5.0990 7.7761 118.2117 54.1463 33.1391 174.9231 55 L 4.8333 8.8904 124.2957 53.9777 44.8607 175.0948 56 H 4.8666 8.9029 122.6768 54.3051 32.1107 174.2784 57 G 3.8803 8.7204 105.0670 46.6258 0.0000 175.2017 58 L 3.9880 7.9092 121.8331 57.5201 41.7546 176.7023 59 T 4.3917 7.2522 110.1628 61.4455 70.5046 171.6920 60 T 4.6912 8.1400 115.2821 59.8543 71.2654 175.6709 61 E 4.2760 8.8424 118.2218 58.4560 29.8500 178.8979 62 E 4.4652 8.2817 117.2361 59.0211 30.4161 177.7005 63 E 4.3917 7.9297 112.7979 57.2759 30.4913 180.8980 64 F 5.1042 7.8751 120.7402 57.6437 37.6223 175.0797 65 V 4.0805 7.5289 117.4271 59.3696 33.2806 175.5392 66 E 4.5421 7.9507 121.5798 55.8667 29.9604 176.4383 67 G 3.7290 7.8867 111.4335 46.6315 0.0000 170.4965 68 I 4.7420 7.1471 120.1303 59.8556 39.0835 174.8673 69 Y 5.1047 8.5816 125.0845 55.9203 41.1916 174.5631 70 K 4.8145 9.1166 124.3425 54.5591 34.9502 174.6897 71 V 4.7895 9.0484 128.1891 61.4257 33.5894 173.9140 72 E 5.0736 9.5058 128.4010 54.6655 32.1488 174.9908 73 I 4.6430 8.5551 125.8697 59.2944 39.5293 175.8014 74 D 5.1304 8.9562 129.4616 53.6384 37.8049 176.6269 75 T 3.9912 7.7496 114.5437 64.0492 69.4181 176.5694 76 K 4.1113 8.1156 122.0945 59.6794 32.3978 178.6421 77 S 4.1507 8.1499 114.9615 61.7046 62.5133 175.8891 78 Y 3.9142 7.3624 119.6037 60.6994 38.7840 178.1644 79 W 4.3799 8.0800 119.4849 59.7830 29.1137 178.7649 80 K 4.4731 8.6644 119.5904 58.9310 31.2512 179.2104 81 A 3.9660 7.7692 120.0046 54.5485 18.2794 178.6116 82 L 4.3859 7.6117 115.2604 54.4681 41.9260 177.4556 83 G 3.9333 8.2155 107.4374 45.5292 0.0000 173.2260 84 I 4.3532 7.6182 119.9218 59.1676 39.2212 174.8737 85 S 4.5881 8.5349 120.2705 56.2187 61.5091 171.7121 86 P 4.2664 0.0000 0.0000 61.1910 32.8513 176.5716 87 F 3.9190 8.2403 120.9066 61.2982 39.2814 175.4356 88 H 4.5243 7.9064 115.8650 54.8230 29.6812 175.4753 89 E 4.0374 8.6568 122.4863 59.6727 29.5169 176.1704 90 H 4.7860 7.5187 110.5593 55.9519 31.2472 172.8062 91 A 4.2735 8.3920 119.9359 49.9431 21.1541 175.5618 92 E 5.1163 8.4237 120.2782 54.4560 33.1335 176.0235 93 V 4.4038 8.9955 122.9979 61.3345 34.5065 174.1359 94 V 5.1743 8.6321 128.4358 61.1399 33.2896 174.5370 95 F 5.1467 8.8839 121.6776 55.9098 41.7584 173.2824 96 T 4.7384 8.6863 116.8610 63.0567 69.3944 174.0856 97 A 4.6903 8.7177 127.6232 50.7277 22.4610 176.1451 98 N 4.7540 9.9091 115.0897 52.8748 37.2573 176.2631 99 D 4.3796 8.1899 118.3819 55.9161 39.2886 177.3455 100 S 4.6254 8.2509 114.3719 58.0350 63.6895 174.6095 101 G 4.0156 8.4732 106.7250 44.1585 0.0000 171.9713 102 P 4.6849 0.0000 0.0000 63.5062 31.6168 176.1110 103 R 4.8396 8.6653 120.2183 54.6828 34.7881 174.4161 104 R 4.9002 8.6911 119.5961 54.9803 32.5147 175.1903 105 Y 4.9834 9.1837 121.4234 56.4108 41.3822 174.7487 106 T 5.0202 8.8802 120.2055 61.8996 71.8613 172.9224 107 I 4.7148 8.8396 128.2970 59.6642 39.2278 174.5673 108 A 5.2161 8.8820 129.1989 49.9923 21.8551 174.9445 109 A 5.1452 8.9223 122.9793 50.0029 22.6263 174.5511 110 L 4.9950 9.1495 125.3185 53.3508 44.3577 174.9784 111 L 5.3398 9.1271 126.6418 53.3405 44.5033 175.7867 112 S 5.1290 9.3395 118.0689 56.1017 67.3357 173.2935 113 P 3.0503 0.0000 0.0000 65.2228 31.0450 177.7964 114 Y 4.6657 7.8248 112.0218 57.1913 38.5925 175.1975 115 S 4.8100 8.0582 114.0268 57.2374 66.1091 172.5477 116 Y 5.4488 7.9438 119.2433 55.6723 41.1967 174.0261 117 S 4.7802 9.0855 115.2094 56.9234 65.8755 172.5741 118 T 5.2592 8.5677 119.7977 60.8670 70.6739 172.2217 119 T 4.8656 8.9266 120.1354 60.5088 71.7949 171.9580 120 A 5.1141 8.4885 125.2895 49.9886 22.0700 175.4618 121 V 4.2643 8.7678 122.1772 61.0223 33.8888 174.4433 122 V 4.6052 8.3907 127.8574 61.1787 33.3714 174.5424 123 T 4.6496 8.5959 117.5351 59.7779 72.4454 173.8188 124 N 4.4573 8.5462 119.8014 53.7871 39.0902 174.5325 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 *10 C 8.33 4.57 0.00 2.70 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 11 P 0.00 4.54 0.00 2.51 2.48 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.20 0.00 12 L 7.79 5.10 0.00 0.91 1.22 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.05 4.93 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 14 V 8.45 4.89 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 0.90 0.00 0.00 0.89 0.00 0.00 15 K 9.06 5.00 0.00 1.76 1.53 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.31 7.81 16 V 8.92 4.76 1.90 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 0.65 0.00 0.00 0.81 0.00 0.00 17 L 8.96 5.10 0.00 1.58 1.51 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.98 5.23 0.00 2.62 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 19 A 9.20 4.26 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 20 V 8.53 3.85 2.62 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 0.97 0.00 0.00 1.03 0.00 0.00 21 R 8.87 4.35 0.00 1.91 2.02 0.00 3.39 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 22 G 8.35 3.87 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 0.00 0.00 0.00 23 S 7.39 4.85 0.00 3.87 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 24 P 0.00 4.62 0.00 2.11 2.18 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 25 A 8.60 4.52 0.41 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 26 I 8.42 4.24 1.87 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 1.34 0.70 0.96 0.00 0.00 27 N 8.52 4.19 0.00 2.90 2.94 0.00 0.00 6.87 8.40 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 28 V 7.69 4.09 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 0.83 0.00 0.00 0.71 0.00 0.00 29 A 8.62 4.60 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 30 V 8.90 4.77 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 0.98 0.00 0.00 0.92 0.00 0.00 31 H 9.40 5.13 0.00 3.15 2.90 0.00 5.83 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.72 4.93 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 1.28 0.00 0.00 0.95 0.00 0.00 33 F 9.53 5.53 0.00 2.95 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 34 R 9.21 4.74 0.00 1.89 1.67 0.00 2.80 0.00 0.00 2.67 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.54 0.00 35 K 8.79 3.77 0.00 0.79 1.30 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.02 0.87 7.81 36 A 8.52 4.48 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 *37 A 8.06 4.11 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 38 D 8.17 4.63 0.00 2.70 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 39 D 8.49 4.10 0.00 2.95 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 T 7.34 4.40 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 41 W 8.66 5.04 0.00 2.91 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 42 E 9.24 4.76 0.00 1.65 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 0.00 2.19 2.15 0.00 43 P 0.00 4.13 0.00 1.97 2.05 0.00 3.77 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 44 F 8.60 4.78 0.00 3.20 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 45 A 7.60 4.37 1.06 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 0.00 0.00 0.00 46 S 7.79 4.71 0.00 3.68 3.66 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 47 G 7.52 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 0.00 0.00 0.00 48 K 8.45 5.36 0.00 1.56 1.64 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.36 7.81 49 T 8.55 4.28 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 1.17 0.00 0.00 50 S 8.64 4.85 0.00 4.00 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 0.00 51 E 8.65 3.98 0.00 2.23 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 0.00 2.31 1.87 0.00 52 S 7.85 4.42 0.00 3.97 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 53 G 8.48 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 54 E 7.78 5.10 0.00 1.96 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 0.00 2.27 2.44 0.00 55 L 8.89 4.83 0.00 1.63 1.41 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.90 4.87 0.00 2.97 3.18 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.72 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 58 L 7.91 3.99 0.00 1.56 1.69 0.87 0.76 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 59 T 7.25 4.39 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 0.81 0.00 0.00 60 T 8.14 4.69 4.28 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 1.20 0.00 0.00 61 E 8.84 4.28 0.00 2.01 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 2.23 1.92 0.00 62 E 8.28 4.47 0.00 1.98 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 2.29 2.40 0.00 63 E 7.93 4.39 0.00 2.01 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 2.23 2.11 0.00 64 F 7.88 5.10 0.00 3.13 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 65 V 7.53 4.08 2.11 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 0.81 0.00 0.00 1.01 0.00 0.00 66 E 7.95 4.54 0.00 1.95 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 0.00 2.51 2.12 0.00 67 G 7.89 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 0.00 0.00 0.00 68 I 7.15 4.74 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.47 1.09 0.00 0.00 69 Y 8.58 5.10 0.00 1.95 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 70 K 9.12 4.81 0.00 0.79 0.96 0.00 1.03 0.00 0.00 1.14 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.06 0.88 7.81 71 V 9.05 4.79 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 1.01 0.00 0.00 1.14 0.00 0.00 72 E 9.51 5.07 0.00 2.17 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 73 I 8.56 4.64 1.73 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 1.04 0.75 0.79 0.00 0.00 74 D 8.96 5.13 0.00 2.79 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 75 T 7.75 3.99 4.49 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 1.18 0.00 0.00 76 K 8.12 4.11 0.00 2.17 1.90 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.58 7.81 77 S 8.15 4.15 0.00 3.94 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 78 Y 7.36 3.91 0.00 2.78 2.88 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 79 W 8.08 4.38 0.00 3.52 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 80 K 8.66 4.47 0.00 1.91 1.89 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.52 7.81 81 A 7.77 3.97 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 82 L 7.61 4.39 0.00 1.79 1.71 0.42 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.22 3.93 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 0.00 0.00 0.00 84 I 7.62 4.35 2.25 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.80 0.00 0.00 85 S 8.53 4.59 0.00 3.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.27 0.00 2.18 1.92 0.00 3.83 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 2.00 2.16 0.00 87 F 8.24 3.92 0.00 2.09 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 88 H 7.91 4.52 0.00 3.27 3.46 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.66 4.04 0.00 1.78 1.96 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 2.19 2.17 0.00 90 H 7.52 4.79 0.00 3.25 3.25 0.00 5.09 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.39 4.27 0.20 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 0.00 0.00 92 E 8.42 5.12 0.00 2.15 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 93 V 9.00 4.40 2.17 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 1.00 0.00 0.00 0.96 0.00 0.00 94 V 8.63 5.17 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 1.09 0.00 0.00 0.88 0.00 0.00 95 F 8.88 5.15 0.00 3.17 3.06 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 0.00 96 T 8.69 4.74 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 1.22 0.00 0.00 97 A 8.72 4.69 0.55 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 0.00 0.00 98 N 9.91 4.75 0.00 2.75 2.86 0.00 0.00 6.64 7.63 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 99 D 8.19 4.38 0.00 3.05 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.25 4.63 0.00 3.89 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 0.00 101 G 8.47 4.02 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 0.00 0.00 0.00 102 P 0.00 4.68 0.00 2.09 2.11 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 103 R 8.67 4.84 0.00 1.32 1.50 0.00 3.30 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 104 R 8.69 4.90 0.00 1.68 1.81 0.00 3.06 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 105 Y 9.18 4.98 0.00 2.98 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 0.00 106 T 8.88 5.02 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 1.18 0.00 0.00 107 I 8.84 4.71 1.82 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.79 0.86 0.00 0.00 108 A 8.88 5.22 1.20 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 0.00 0.00 109 A 8.92 5.15 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 0.00 110 L 9.15 5.00 0.00 1.78 1.59 1.00 0.37 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 0.00 111 L 9.13 5.34 0.00 1.82 2.01 0.59 0.57 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 0.00 112 S 9.34 5.13 0.00 3.76 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 0.00 113 P 0.00 3.05 0.00 2.05 1.62 0.00 3.25 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.76 0.00 114 Y 7.82 4.67 0.00 2.82 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 0.00 115 S 8.06 4.81 0.00 3.94 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 0.00 116 Y 7.94 5.45 0.00 2.90 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 0.00 117 S 9.09 4.78 0.00 3.92 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.57 5.26 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 1.34 0.00 0.00 119 T 8.93 4.87 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 1.21 0.00 0.00 120 A 8.49 5.11 1.12 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 0.00 121 V 8.77 4.26 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 0.96 0.00 0.00 0.91 0.00 0.00 122 V 8.39 4.61 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 0.48 0.00 0.00 0.92 0.00 0.00 123 T 8.60 4.65 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 1.15 0.00 0.00 124 N 8.55 4.46 0.00 2.65 2.68 0.00 0.00 6.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.