NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2174 0.0000 0.0000 62.8061 33.4991 174.4092 2 H 4.9758 7.8374 122.3518 54.0578 32.1091 172.3366 3 F 5.5801 9.3869 124.2231 55.6625 43.6180 173.1187 4 L 4.3973 8.2892 123.0820 53.6259 43.9420 175.3833 5 I 4.5556 8.7056 128.0527 59.9240 38.4147 174.0246 6 L 5.1448 8.8428 130.8014 53.5353 43.7600 174.7406 7 N 5.4094 9.4883 124.4038 51.7537 41.7797 175.2152 8 G 4.4347 8.7337 113.3632 43.2203 0.0000 170.8967 9 P 4.9765 0.0000 0.0000 63.7252 31.8273 176.6278 10 N 4.5527 8.6699 117.4791 53.6822 38.0318 176.7571 11 V 3.6837 7.4762 118.8228 65.5145 31.7795 177.6217 12 N 4.3416 8.1737 116.1629 55.3246 37.1773 175.5176 13 R 4.3283 7.8107 116.8638 55.4879 30.5366 175.7000 14 L 3.9325 7.5802 119.4121 56.9016 42.0056 178.4701 15 G 4.0498 9.0667 112.1517 44.9340 0.0000 174.6708 16 S 4.1664 8.2518 114.6967 61.2593 62.6709 175.7289 17 R 4.4268 7.8977 116.1461 55.6899 30.3138 175.4826 18 E 4.6481 8.1257 118.3779 53.7794 31.4125 174.0428 19 P 4.3794 0.0000 0.0000 62.7625 32.2088 176.7242 20 E 4.0315 9.3158 122.6170 59.9431 30.1463 175.8581 21 V 4.4458 7.6760 118.5520 59.3792 30.2292 177.5320 *22 F 4.5054 7.7226 120.8415 56.0962 43.1485 176.8454 23 G 4.1167 9.2147 107.5285 46.3668 0.0000 173.3686 24 R 4.3883 7.8996 116.6070 55.2441 31.6249 173.8680 25 Q 4.5807 8.6739 121.4737 54.7991 30.2978 175.8158 26 T 4.8702 8.5813 118.2844 59.4193 72.1673 175.2795 27 L 3.9042 8.1941 121.5690 58.4739 41.9889 178.8246 28 T 3.7043 7.7268 115.2476 66.5318 68.4487 175.9580 29 D 4.3284 7.7432 120.6577 57.6450 40.8984 179.0213 30 I 3.6512 7.5516 119.9077 64.3033 37.0707 178.1082 31 E 3.3158 8.0317 120.0400 59.2693 29.2888 178.9196 32 T 3.8226 7.7172 115.6278 66.9219 68.4830 176.2773 33 D 4.4389 8.0969 120.6236 57.5080 40.6900 178.9887 34 L 3.8984 8.1432 119.5184 57.5271 41.5876 179.4603 35 F 4.4136 8.5220 120.8224 61.4128 39.3541 176.9612 36 Q 4.0795 8.5282 118.0645 59.2091 28.6336 179.0269 37 F 4.2062 9.1689 122.0070 61.5293 39.3826 177.0515 38 A 3.7689 9.0126 121.3876 54.9093 18.1478 179.2468 39 E 3.6900 8.5568 117.2182 59.6944 29.3779 179.4725 40 A 4.0446 7.3658 119.0993 54.8512 18.4432 178.7073 41 L 4.0630 6.9158 113.7903 54.3239 41.9362 176.5421 42 H 4.0943 8.4575 115.5594 56.8212 26.5529 174.1937 43 I 4.5442 7.7344 111.5082 59.1985 40.6673 174.2782 44 Q 4.5948 8.7214 121.3886 54.0976 31.2354 175.0458 45 L 5.3730 8.2983 121.2750 53.2794 45.7579 175.9185 46 T 4.7870 8.4468 117.5337 61.8747 72.1843 172.8761 47 F 5.3322 9.0140 123.9131 55.9326 41.5217 175.0390 48 F 5.0993 9.1948 124.4584 56.8589 42.9904 172.7548 49 Q 5.2766 7.9830 125.9783 53.3266 31.3990 173.9649 50 S 4.5507 8.0516 118.5506 57.1872 66.2419 173.9155 51 N 4.6132 8.9275 120.0600 53.9242 39.2518 174.3580 52 H 4.9164 8.2448 117.6912 54.1277 30.2220 175.1974 53 E 3.9868 9.1909 125.6940 59.6781 29.2875 179.2062 54 G 3.6877 8.1421 104.8294 47.9039 0.0000 175.2112 55 D 4.4581 8.1209 120.7673 57.2376 40.7800 178.8315 56 L 4.1687 7.9481 119.1514 57.6574 41.7306 179.3678 57 I 3.6297 7.8784 119.7494 64.4527 37.1102 177.8892 58 D 4.3051 8.2505 119.6292 57.5664 40.7351 178.8999 59 A 3.9656 8.0832 120.8361 55.2801 18.1134 179.7729 60 I 3.6966 7.7456 117.1130 64.9728 37.3151 178.0604 61 H 4.4167 7.9876 115.5799 59.0520 29.0063 177.4778 62 E 4.1519 8.5330 119.6503 58.6137 29.2377 178.9412 63 A 4.3521 8.0479 121.4931 55.1305 18.3946 178.8147 64 E 3.9142 8.3352 117.3295 59.4306 29.2342 177.9924 65 E 4.5994 7.4133 113.8662 56.1987 29.8247 176.3139 66 Q 4.1518 8.2761 118.7881 55.5220 31.8261 173.8982 67 Y 4.8737 7.6454 113.2307 56.2433 41.2858 174.9657 68 S 4.7951 8.4046 114.1139 57.7379 63.9310 174.0786 69 G 4.2335 7.6218 106.2591 46.3402 0.0000 172.4935 70 I 5.1542 8.1493 121.4672 59.2146 41.2263 174.6769 71 V 4.4901 8.7511 127.1810 61.3046 33.2735 173.9713 72 L 5.0157 8.8946 131.1237 53.3865 44.5306 174.5129 73 N 5.2426 9.4076 125.9176 50.2688 40.1835 172.4509 74 P 4.4859 0.0000 0.0000 61.7860 32.7361 178.2713 75 G 3.7482 8.3622 108.6190 46.1559 0.0000 174.5388 76 A 4.2407 8.5167 119.2480 54.6285 18.4367 179.6284 77 L 3.4588 7.5686 116.5882 57.5117 41.4526 179.1008 78 S 4.0186 7.9238 113.3670 61.5659 61.9122 175.2463 79 H 4.9187 8.0609 116.3567 56.6285 29.0031 175.2613 80 Y 4.6107 7.6011 114.7543 55.6381 40.3759 176.6390 81 S 4.1766 7.4135 116.1138 58.0570 60.2105 173.5251 82 Y 4.3169 7.9710 124.3073 59.7547 38.0380 177.0074 83 A 4.1687 7.9910 121.8200 54.8412 18.6637 179.4679 84 I 3.7622 7.7271 118.4330 64.0829 37.1677 178.3851 85 R 3.8711 7.9440 119.7113 59.8334 29.7748 178.4410 86 D 4.4324 8.0682 116.8832 56.9684 41.0141 178.3586 87 A 4.2500 8.0217 121.5584 55.3113 18.3255 179.7373 88 V 3.5718 7.8007 116.5988 66.4661 31.3911 178.4636 89 S 4.2805 7.9575 113.5407 60.8584 62.7256 175.7851 90 S 4.5151 7.8063 115.1520 57.8308 63.4779 173.6954 91 I 4.8126 7.1010 115.0474 58.3797 39.8894 175.6955 92 S 4.4938 9.0022 115.2567 58.9731 63.6104 174.6540 93 L 4.4789 7.7048 121.2690 53.8633 42.6609 174.8095 94 P 4.5653 0.0000 0.0000 62.8558 32.9125 175.1938 95 V 4.9786 8.4561 122.2336 61.0294 35.1644 173.8549 96 V 4.7468 8.3992 126.8413 61.0009 34.1986 174.0974 97 E 4.7096 9.0577 129.3922 55.7748 31.3148 175.2067 98 V 4.7987 8.8652 125.1588 61.4325 35.4346 173.8563 99 H 4.8324 8.9685 123.1785 54.3337 32.7074 174.3607 100 L 4.0337 8.6347 122.7844 57.7017 42.5169 177.8614 101 S 4.4843 7.8457 111.1685 57.4446 64.2740 174.0043 102 N 4.4713 8.2828 120.1236 52.5228 37.3911 175.1858 103 L 3.8107 7.8865 125.7666 57.5625 41.9705 179.5033 104 Y 3.8356 7.2649 114.6412 60.1060 37.7736 176.5409 105 A 4.4363 7.8086 120.6036 52.2743 19.6339 177.0345 106 R 4.8571 7.4322 116.2839 54.3552 32.7693 175.6712 107 E 4.0043 8.3591 117.7066 57.1982 30.3403 177.4693 108 E 3.3862 8.7780 122.4862 59.1656 29.7637 179.2931 109 F 4.2247 7.9955 112.2220 59.5393 37.9534 176.0291 110 R 3.2141 6.5942 118.1397 57.0662 29.8930 176.4544 111 H 4.8857 7.8655 115.1933 55.6573 28.9085 174.9937 112 Q 4.6381 7.7169 116.9674 54.2848 31.3899 174.0276 113 S 4.9212 8.6646 114.9667 56.8238 64.3443 174.0527 114 V 4.1093 8.4621 120.0820 61.9103 32.0826 176.7806 115 I 4.1407 7.4821 120.6052 62.6011 38.6357 177.5427 116 A 4.0302 8.2517 123.5531 54.8097 18.2691 177.8468 117 P 4.3172 0.0000 0.0000 65.0832 31.4334 177.4617 118 V 4.0977 7.7793 108.6775 60.9738 32.1957 175.5152 119 A 4.5744 7.4033 123.3301 50.4239 20.5033 177.4626 120 K 4.1020 8.8233 118.7275 59.4311 32.6142 177.8691 121 G 3.9063 7.3208 103.8453 46.4700 0.0000 171.6230 122 Q 5.1050 8.5544 119.4563 54.6024 32.4812 174.5803 123 I 4.5363 8.5322 125.9320 59.5020 40.2327 174.5981 124 V 4.5911 8.5122 126.5431 62.2604 33.9798 175.8104 125 G 3.9281 8.9915 115.5915 45.5919 0.0000 173.4999 126 L 4.3777 7.6490 118.2855 54.1560 42.1824 178.4158 127 G 3.8364 7.9826 110.0375 44.8906 0.0000 174.5719 128 A 4.2016 8.4384 120.0251 54.7996 18.8203 179.6603 129 E 4.0486 8.3710 116.3636 59.0679 29.4206 178.7298 130 G 3.6604 8.1819 106.1718 48.0845 0.0000 175.0349 131 Y 4.1242 7.7592 118.3559 61.0148 37.9027 179.1227 132 K 3.7601 7.9970 118.6945 59.2671 32.0739 179.3312 133 L 3.9752 8.1248 119.2711 57.5981 41.4155 179.3978 134 A 4.0148 8.1221 120.9167 55.0234 18.3433 179.7625 135 V 3.3616 8.0126 116.8677 66.2350 31.4128 178.3295 136 R 4.0363 8.0900 116.5819 59.4824 30.2316 177.9057 137 Y 4.2675 8.0681 119.1217 60.9762 38.6886 178.3853 138 L 3.6704 8.1683 119.8897 57.6104 41.3510 179.4470 139 L 4.2007 7.8314 118.2091 56.8748 41.5134 177.9974 140 S 4.5868 7.4959 111.8389 57.8387 63.3466 174.2501 141 Q 4.1286 7.8831 126.1738 56.3485 28.7129 175.2929 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 P 0.00 4.22 0.00 1.25 2.05 0.00 3.50 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 1.67 1.88 0.00 2 H 7.84 4.98 0.00 3.13 3.16 0.00 5.54 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.39 5.58 0.00 2.94 2.71 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 4 L 8.29 4.40 0.00 0.71 1.18 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.71 4.56 1.55 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 0.54 0.72 1.02 0.00 0.00 6 L 8.84 5.14 0.00 1.74 1.58 0.98 1.00 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 7 N 9.49 5.41 0.00 2.60 2.69 0.00 0.00 6.39 7.62 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 8 G 8.73 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 0.00 0.00 0.00 0.00 9 P 0.00 4.98 0.00 2.20 2.20 0.00 3.62 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 10 N 8.67 4.55 0.00 3.09 3.06 0.00 0.00 6.52 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 11 V 7.48 3.68 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 0.99 0.00 0.00 12 N 8.17 4.34 0.00 2.83 3.04 0.00 0.00 5.99 7.66 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 13 R 7.81 4.33 0.00 1.97 1.97 0.00 3.31 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 14 L 7.58 3.93 0.00 1.71 1.78 0.94 0.81 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 15 G 9.07 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 0.00 0.00 0.00 16 S 8.25 4.17 0.00 3.94 4.10 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 17 R 7.90 4.43 0.00 1.81 1.99 0.00 3.35 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 18 E 8.13 4.65 0.00 1.88 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 2.26 2.39 0.00 19 P 0.00 4.38 0.00 2.04 1.99 0.00 3.70 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 2.02 2.07 0.00 20 E 9.32 4.03 0.00 1.89 1.99 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 2.32 1.91 0.00 21 V 7.68 4.45 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 0.86 0.00 0.00 0.93 0.00 0.00 *22 F 7.72 4.51 0.00 2.23 2.14 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 23 G 9.21 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 24 R 7.90 4.39 0.00 1.87 1.85 0.00 2.99 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 25 Q 8.67 4.58 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 26 T 8.58 4.87 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 1.19 0.00 0.00 27 L 8.19 3.90 0.00 1.74 1.65 0.92 0.77 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 28 T 7.73 3.70 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 1.11 0.00 0.00 29 D 7.74 4.33 0.00 2.73 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 30 I 7.55 3.65 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.52 0.68 0.00 0.00 31 E 8.03 3.32 0.00 2.02 1.55 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 1.52 1.47 0.00 32 T 7.72 3.82 4.35 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 1.24 0.00 0.00 33 D 8.10 4.44 0.00 2.74 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 34 L 8.14 3.90 0.00 2.21 2.13 0.94 1.13 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 35 F 8.52 4.41 0.00 3.45 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 36 Q 8.53 4.08 0.00 2.42 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.55 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 37 F 9.17 4.21 0.00 3.12 3.35 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 38 A 9.01 3.77 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 39 E 8.56 3.69 0.00 2.00 1.94 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 2.33 2.21 0.00 40 A 7.37 4.04 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 41 L 6.92 4.06 0.00 1.31 1.50 0.85 0.83 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 42 H 8.46 4.09 0.00 3.16 3.32 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.73 4.54 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.86 0.00 0.00 44 Q 8.72 4.59 0.00 1.57 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 45 L 8.30 5.37 0.00 1.36 1.05 1.08 0.95 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 46 T 8.45 4.79 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 1.35 0.00 0.00 47 F 9.01 5.33 0.00 2.96 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 48 F 9.19 5.10 0.00 3.10 2.89 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 0.00 0.00 0.00 49 Q 7.98 5.28 0.00 1.95 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 50 S 8.05 4.55 0.00 3.58 3.51 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 51 N 8.93 4.61 0.00 2.75 2.77 0.00 0.00 6.82 8.16 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 52 H 8.24 4.92 0.00 3.35 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.19 3.99 0.00 1.97 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 2.32 0.00 54 G 8.14 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 0.00 0.00 0.00 55 D 8.12 4.46 0.00 3.01 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 56 L 7.95 4.17 0.00 1.71 1.76 0.92 0.97 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 57 I 7.88 3.63 1.95 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 1.51 1.06 0.76 0.00 0.00 58 D 8.25 4.31 0.00 2.83 2.71 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 59 A 8.08 3.97 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 60 I 7.75 3.70 2.02 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 1.56 0.75 0.98 0.00 0.00 61 H 7.99 4.42 0.00 3.27 3.36 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.53 4.15 0.00 2.09 1.99 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 2.32 2.38 0.00 63 A 8.05 4.35 1.60 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 0.00 0.00 64 E 8.34 3.91 0.00 2.12 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 0.00 2.40 2.51 0.00 65 E 7.41 4.60 0.00 1.99 1.88 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 2.26 2.27 0.00 66 Q 8.28 4.15 0.00 1.58 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 67 Y 7.65 4.87 0.00 2.99 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 68 S 8.40 4.80 0.00 4.02 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 69 G 7.62 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 70 I 8.15 5.15 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.92 0.00 0.00 71 V 8.75 4.49 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 1.09 0.00 0.00 0.89 0.00 0.00 72 L 8.89 5.02 0.00 1.76 1.46 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.41 5.24 0.00 2.69 2.96 0.00 0.00 6.82 8.20 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 74 P 0.00 4.49 0.00 2.20 2.21 0.00 3.71 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 2.03 2.00 0.00 75 G 8.36 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 76 A 8.52 4.24 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.57 3.46 0.00 1.79 1.47 0.83 0.42 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 78 S 7.92 4.02 0.00 3.96 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 79 H 8.06 4.92 0.00 3.47 3.61 0.00 5.67 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 80 Y 7.60 4.61 0.00 2.92 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 81 S 7.41 4.18 0.00 3.51 3.59 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 82 Y 7.97 4.32 0.00 3.14 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 83 A 7.99 4.17 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 84 I 7.73 3.76 1.93 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 1.38 0.51 0.89 0.00 0.00 85 R 7.94 3.87 0.00 2.03 2.22 0.00 3.46 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 86 D 8.07 4.43 0.00 2.74 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 87 A 8.02 4.25 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 88 V 7.80 3.57 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 1.05 0.00 0.00 1.01 0.00 0.00 89 S 7.96 4.28 0.00 4.10 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 90 S 7.81 4.52 0.00 4.02 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 0.00 91 I 7.10 4.81 2.08 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 1.16 1.19 0.96 0.00 0.00 92 S 9.00 4.49 0.00 4.02 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 93 L 7.70 4.48 0.00 1.62 1.72 1.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.57 0.00 2.19 2.24 0.00 3.80 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 2.11 1.99 0.00 95 V 8.46 4.98 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 0.97 0.00 0.00 1.02 0.00 0.00 96 V 8.40 4.75 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 0.86 0.00 0.00 0.93 0.00 0.00 97 E 9.06 4.71 0.00 2.04 1.75 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 2.21 2.29 0.00 98 V 8.87 4.80 1.70 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 0.42 0.00 0.00 0.76 0.00 0.00 99 H 8.97 4.83 0.00 2.93 3.02 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 0.00 100 L 8.63 4.03 0.00 1.63 1.69 0.93 0.93 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 0.00 101 S 7.85 4.48 0.00 3.92 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 0.00 102 N 8.28 4.47 0.00 2.72 2.73 0.00 0.00 6.89 6.66 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 0.00 103 L 7.89 3.81 0.00 0.98 1.47 0.47 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 7.26 3.84 0.00 3.03 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 0.00 105 A 7.81 4.44 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 0.00 106 R 7.43 4.86 0.00 1.78 1.75 0.00 3.11 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 107 E 8.36 4.00 0.00 1.57 1.84 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 2.51 2.36 0.00 108 E 8.78 3.39 0.00 1.91 1.92 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 2.31 2.22 0.00 109 F 8.00 4.22 0.00 3.06 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 0.00 110 R 6.59 3.21 0.00 1.52 1.63 0.00 2.84 0.00 0.00 3.01 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 111 H 7.87 4.89 0.00 3.20 3.47 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.72 4.64 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 113 S 8.66 4.92 0.00 3.84 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 0.00 114 V 8.46 4.11 1.74 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 0.42 0.00 0.00 0.59 0.00 0.00 115 I 7.48 4.14 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.91 0.00 0.00 116 A 8.25 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 0.00 117 P 0.00 4.32 0.00 2.10 2.17 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 118 V 7.78 4.10 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 0.71 0.00 0.00 1.08 0.00 0.00 119 A 7.40 4.57 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 0.00 120 K 8.82 4.10 0.00 1.83 1.91 0.00 2.03 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.74 7.81 121 G 7.32 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 0.00 122 Q 8.55 5.10 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.55 0.00 123 I 8.53 4.54 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 1.04 0.57 0.84 0.00 0.00 124 V 8.51 4.59 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 0.53 0.00 0.00 0.87 0.00 0.00 125 G 8.99 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 0.00 126 L 7.65 4.38 0.00 1.60 1.65 0.90 0.91 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 0.00 127 G 7.98 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 0.00 0.00 0.00 128 A 8.44 4.20 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 0.00 129 E 8.37 4.05 0.00 2.07 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 0.00 2.35 2.40 0.00 130 G 8.18 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 0.00 0.00 0.00 131 Y 7.76 4.12 0.00 3.29 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 0.00 132 K 8.00 3.76 0.00 1.63 1.06 0.00 1.40 0.00 0.00 1.13 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.38 1.24 7.81 133 L 8.12 3.98 0.00 1.79 1.71 0.89 0.63 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 0.00 134 A 8.12 4.01 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 0.00 135 V 8.01 3.36 2.43 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 1.36 0.00 0.00 1.10 0.00 0.00 136 R 8.09 4.04 0.00 2.06 2.08 0.00 3.32 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 137 Y 8.07 4.27 0.00 3.09 3.12 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 0.00 138 L 8.17 3.67 0.00 1.54 0.81 0.94 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.83 4.20 0.00 1.84 1.79 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.50 4.59 0.00 3.88 3.89 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 0.00 0.00 0.00 141 Q 7.88 4.13 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.58 0.00 0.00 0.00 0.00 0.00 1.53 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.