NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4883 0.0000 0.0000 62.4789 32.1587 176.9215 3 A 2.6063 7.6785 131.1990 51.7429 19.0085 174.6704 4 Y 4.2357 9.0914 119.3034 57.0834 39.7329 174.0238 5 H 5.5429 8.3424 120.4378 53.0047 31.5106 174.3710 6 S 5.1565 8.6624 115.0810 58.1571 62.7456 174.0619 7 S 4.8190 8.8215 119.3366 58.2283 63.0536 174.7284 8 L 4.3402 7.7832 118.9973 55.6073 41.8185 176.5612 9 M 4.1208 7.9667 119.8038 55.5447 32.3260 175.0670 10 D 4.9730 8.7972 126.3912 51.8401 43.4752 174.9263 11 P 4.4529 0.0000 0.0000 64.7166 31.5112 177.0772 12 D 5.0046 7.7728 117.4930 52.9396 39.8349 176.0360 13 T 4.3864 7.7646 115.5559 64.0506 69.9181 175.2844 14 K 4.3828 8.5280 124.4351 55.7836 33.9862 175.4936 15 L 5.0349 8.3650 123.2444 52.9810 44.3068 176.0659 16 I 4.2380 8.4039 123.3313 60.0279 40.0719 176.3978 17 G 4.0468 8.5167 121.4400 46.6336 0.0000 172.6009 18 N 4.9336 8.8839 119.3918 52.0318 38.3197 173.8284 19 M 4.2297 7.7703 118.7098 54.6054 33.1498 175.1037 20 A 4.7417 8.1063 124.9950 51.5963 19.6958 178.6217 21 L 4.0992 8.8732 128.5383 54.1877 39.8743 176.0567 22 L 4.4539 8.2917 121.6785 52.9833 43.0170 175.2349 23 P 4.5057 0.0000 0.0000 63.2980 33.0023 175.7209 24 I 4.1821 7.8416 118.6602 60.2991 39.8741 174.2287 25 R 4.0507 8.2859 127.8824 57.0875 29.3346 176.1115 26 S 4.7717 8.0086 115.0892 57.5606 65.2896 175.0079 27 Q 4.1184 8.8772 125.3675 58.7052 28.9450 176.9486 28 F 4.1135 7.7772 114.1155 57.9386 39.4598 175.5441 29 K 4.3634 8.7098 123.4502 55.6213 33.0474 176.6727 30 G 4.5223 8.2730 111.1614 44.6725 0.0000 172.0536 31 P 4.4564 0.0000 0.0000 63.3211 30.8954 176.3225 32 A 3.9285 8.1226 123.3231 51.7556 18.6241 177.0652 33 P 4.5143 0.0000 0.0000 62.5002 32.2535 175.4820 34 R 4.6716 8.2415 116.7991 55.0111 32.4672 175.6144 35 E 4.7328 8.2065 121.3259 54.2633 32.2646 174.5185 *37 K 4.1246 8.3617 116.2551 56.6852 33.0689 175.3136 38 D 4.7086 8.5129 123.3965 53.9977 39.8485 177.3178 39 T 4.4669 7.5861 117.2867 63.1195 70.3242 173.5024 40 D 4.7799 8.7594 127.0057 51.5393 41.6473 177.9402 41 I 3.7333 7.6648 118.9527 64.2206 37.8446 177.9510 42 V 3.7063 7.8590 118.5334 65.4685 31.3378 177.7187 43 D 4.2593 8.4945 119.4147 57.4394 40.6820 177.9971 44 E 3.6566 8.1574 119.4953 59.2016 29.3897 179.0104 45 A 4.0794 7.9089 120.1894 55.2990 18.4775 179.6921 46 I 3.7364 7.4250 116.3703 64.4305 37.1137 177.9916 47 Y 4.3356 7.8964 119.8858 61.1201 39.0558 177.2765 48 Y 4.3026 7.8535 116.6525 60.6280 38.0178 176.6883 49 F 3.4978 8.6732 118.5217 61.3168 39.2473 176.8974 50 K 3.6400 8.1300 121.8339 60.1035 32.7073 177.4693 51 A 4.5719 8.2262 120.8618 53.1996 18.7409 178.9915 52 N 4.2387 8.9765 113.1088 56.4318 38.9413 178.0692 53 V 3.5489 7.7223 120.1421 64.8892 31.6387 178.3783 54 F 4.3045 7.8393 118.2277 60.1015 39.1205 176.1519 55 F 4.0824 8.8038 118.7634 58.1048 39.4153 176.0397 56 K 4.4028 8.6902 120.4509 56.1782 34.3555 175.8412 57 N 5.0190 8.1350 115.2043 51.3654 41.2262 173.4524 58 Y 4.2907 8.1717 122.4421 55.8295 41.1737 173.4149 59 E 4.4446 8.4284 129.0777 55.2322 30.0847 175.8779 60 I 4.1794 8.5320 128.1055 61.5088 37.7200 175.3779 61 K 4.3535 10.3033 126.1070 57.4965 33.3092 175.9612 62 N 5.1780 7.9288 113.8674 50.8300 41.7756 174.8006 63 E 4.0598 8.5738 115.5248 58.5035 30.4069 178.9469 64 A 4.1110 8.0486 121.9722 55.1449 18.3574 179.0055 65 D 4.4601 7.9112 117.7117 57.7884 40.9381 179.1554 66 R 4.1007 7.6197 118.8066 59.0383 29.9655 179.2994 67 T 4.1119 7.8196 115.1251 66.2876 68.5732 176.5494 68 L 4.0358 8.0552 122.4581 58.1877 42.0702 179.0565 69 I 3.6457 8.4593 120.1149 64.4313 37.0836 177.6919 70 Y 3.9414 8.2224 120.2468 60.8703 38.7064 178.0735 71 I 3.7006 7.9692 120.5808 64.8244 36.9936 178.2882 72 T 3.8833 7.6988 115.0689 66.7813 68.4542 175.8882 73 L 4.1010 8.1085 120.8704 58.4005 41.5333 179.2432 74 Y 3.7972 7.7375 118.9556 60.5675 38.6348 177.8881 75 I 3.2543 7.6420 120.7588 64.5734 37.1144 178.4646 76 S 4.1777 7.7730 115.7746 61.5103 62.3818 176.6496 77 E 3.8768 7.5885 119.9941 59.4559 29.5354 178.6522 78 C 4.0209 7.3881 116.5532 62.8160 28.1836 176.0972 79 L 3.8729 7.7059 120.4049 57.8102 40.9982 179.6679 80 K 4.1075 7.7658 116.8373 58.4461 32.1594 178.2162 81 K 4.3200 8.3474 118.6648 58.2369 32.9157 178.3716 82 L 4.0222 7.8287 118.7243 57.8887 41.2288 179.3332 83 Q 3.9895 7.7877 118.8780 58.5493 29.3091 178.1661 84 K 4.5777 7.9664 117.5444 56.8116 32.6500 175.9995 85 C 5.0256 7.6085 115.1060 58.4123 31.1870 173.7306 86 N 5.4292 9.4582 116.3574 50.9202 39.5695 174.4680 87 S 5.1728 7.8951 114.2552 56.6856 64.7018 177.7158 88 K 2.0000 7.6777 124.9637 58.9675 31.4193 178.9539 89 S 3.9671 7.5828 113.0501 61.8986 63.2315 175.6294 90 Q 4.0487 7.6046 123.2387 58.5910 28.7861 178.3424 91 G 4.0563 8.4781 106.7709 47.9141 0.0000 174.8435 92 E 4.0450 8.2794 121.2241 58.7976 29.3980 179.0258 93 K 4.0863 8.4258 119.1935 59.2588 32.5132 178.6549 94 E 3.9114 8.3285 118.9515 59.2518 29.2061 178.5770 95 M 4.0350 8.0443 118.0935 58.6638 32.3174 176.9855 96 Y 4.1855 7.4819 117.2056 61.8815 39.0952 177.9132 97 T 3.8485 8.5230 116.4574 65.9911 68.4812 175.8644 98 L 4.1865 8.4811 121.8738 58.7433 42.1542 180.0575 99 G 3.7699 8.7345 103.8948 48.2233 0.0000 174.9471 100 I 3.9447 8.2516 122.2185 62.2862 37.7009 176.5512 101 T 3.8540 6.8619 109.1947 62.1324 69.1358 174.0922 102 N 4.6535 8.1179 122.5426 52.0853 37.4592 174.6172 103 F 4.2410 7.9266 119.1840 56.2346 40.1567 173.9002 104 P 4.7154 0.0000 0.0000 63.0983 31.7662 174.7086 105 I 4.5008 8.3643 111.4154 57.7117 40.7317 172.7778 106 P 3.6298 0.0000 0.0000 64.3210 31.4032 174.9945 107 G 4.1969 10.7961 111.1577 46.0225 0.0000 174.2577 108 E 4.3075 7.9920 118.2781 54.9084 30.3531 174.0670 109 P 4.7151 0.0000 0.0000 62.3792 32.1008 175.6740 110 G 3.7276 8.8110 113.0321 45.5959 0.0000 173.5746 111 F 4.5005 7.7242 122.5931 56.1806 39.6734 173.3766 112 P 4.2812 0.0000 0.0000 63.7722 32.1920 175.9861 113 L 4.0089 8.5470 119.2855 55.3505 38.4260 175.5513 114 N 4.6997 8.3905 113.6968 54.9552 38.2977 175.3222 115 A 4.7038 7.9512 120.0555 52.0821 19.8701 177.3277 116 I 4.5322 8.4087 115.3316 60.6737 39.6606 175.0511 117 Y 4.4403 8.2305 118.2009 55.6325 38.8277 175.2512 118 A 4.1949 8.8353 128.8546 52.2887 19.1224 176.0910 119 K 4.5212 8.1503 120.2530 53.3490 34.4739 174.4469 120 P 4.3085 0.0000 0.0000 63.3862 31.2006 176.7324 121 A 4.1836 8.9472 125.2118 52.7943 18.5894 175.9899 122 N 4.2220 7.2918 111.8506 50.9073 40.6409 175.4086 123 K 3.8818 8.1387 118.1771 59.5470 31.9417 178.2446 124 Q 3.8735 8.0972 119.3664 59.2253 29.0952 177.6697 125 E 3.9109 8.2716 119.4571 59.5535 29.5555 178.6800 126 D 4.2836 8.1771 117.8932 57.5925 41.1505 178.5046 127 E 3.9247 8.0079 118.5705 59.3965 29.5468 179.3206 128 V 3.5351 7.8230 118.1416 66.3048 31.5596 177.1650 129 M 3.9205 8.6863 118.2150 59.1409 32.1317 178.0901 130 R 3.8522 8.1392 117.4086 59.5746 30.2967 178.8960 131 A 4.0119 8.0761 120.1286 55.1954 18.3170 179.0080 132 Y 4.2210 8.4937 118.3521 60.9485 38.8989 177.8086 133 L 3.4648 7.9636 119.9857 57.9539 41.7051 179.6013 134 Q 3.7775 7.8350 118.5815 59.0349 29.1039 177.7842 135 Q 3.8298 8.0741 120.6163 59.2415 29.0322 178.1816 136 L 3.7843 8.1409 120.1039 58.0205 41.6233 179.7851 137 R 3.1143 7.8411 117.8833 59.0479 29.8520 179.1853 138 Q 3.5931 7.7496 117.6276 58.6704 28.5558 178.3945 139 E 3.9215 7.6971 120.0666 59.6271 29.7350 178.7267 140 T 3.9359 8.0041 115.9325 66.8806 68.3675 176.7711 141 G 3.6320 8.3435 106.3432 47.6203 0.0000 175.2359 142 L 4.1552 7.8814 122.6187 58.0480 42.2968 178.8988 143 R 3.9077 8.2033 117.8929 59.5957 30.0459 178.8622 144 L 3.5958 7.8772 118.3061 58.1234 41.4045 179.4771 145 C 4.2774 8.1546 116.7311 62.5463 27.7545 176.0409 146 E 4.0325 7.8951 118.6931 59.6315 29.3069 179.0518 147 K 4.1043 7.8362 118.1771 58.6434 32.4882 178.6478 148 V 3.3404 7.3770 118.4395 64.6523 31.3556 175.9594 149 F 5.0265 7.2475 116.5231 55.7085 40.2242 175.4176 150 D 4.6332 8.4597 125.3816 53.4381 41.6491 175.2198 151 P 4.3949 0.0000 0.0000 63.8137 31.2825 176.7124 152 Q 4.3942 8.7716 119.5788 53.2731 29.2368 174.6098 153 N 4.2113 8.5450 122.0081 53.8454 39.3474 173.7125 154 D 4.8683 8.7754 113.6227 53.8082 39.8325 172.6175 155 K 4.8658 7.8017 115.0869 53.1768 33.4265 171.6694 156 P 4.0644 0.0000 0.0000 61.9898 32.2139 175.4430 157 S 4.2769 9.3163 121.7790 58.4087 62.9955 175.4248 158 K 4.1791 9.0031 126.7949 58.4813 32.2184 178.0567 159 W 4.5994 7.8304 118.1878 57.1774 29.4776 176.5656 160 W 4.7961 8.9131 118.8038 57.9658 31.0716 177.8000 161 T 4.0182 8.2962 114.8784 66.7234 67.6224 175.9066 162 C 4.2522 8.0430 114.8957 60.4590 29.7432 174.9589 163 F 4.4851 8.5708 119.4215 57.6491 38.7391 177.6404 164 V 3.5954 7.7464 118.7468 64.7028 30.9420 177.4171 165 K 4.3163 7.9018 116.3540 56.5688 32.6072 177.0380 166 R 4.1672 8.3696 119.3338 55.8307 30.7654 176.3230 167 Q 4.4393 8.3542 119.6440 53.5953 31.0679 174.6515 168 F 4.7832 8.8745 124.8411 59.6404 39.6431 174.8662 169 M 3.0189 8.5083 125.2246 54.6682 30.3449 176.5582 170 N 4.2152 8.1840 112.1418 54.5895 36.7784 173.7037 171 K 4.7091 7.8942 114.2941 54.9220 36.5167 176.2878 172 S 4.5847 7.9672 112.9879 57.2290 65.0538 174.1359 173 L 4.2432 8.4549 125.6150 56.2167 41.7743 177.5938 174 S 4.8699 7.9791 115.2855 57.5963 63.5296 174.3851 175 G 3.7788 7.9591 115.1459 46.4924 0.0000 174.0974 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 P 0.00 4.49 0.00 1.88 1.76 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.09 0.00 3 A 7.68 2.61 0.53 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 0.00 0.00 4 Y 9.09 4.24 0.00 2.41 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 5 H 8.34 5.54 0.00 3.09 3.30 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.66 5.16 0.00 4.02 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 7 S 8.82 4.82 0.00 3.99 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 8 L 7.78 4.34 0.00 1.75 1.79 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 M 7.97 4.12 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 10 D 8.80 4.97 0.00 2.64 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 11 P 0.00 4.45 0.00 2.04 2.11 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 12 D 7.77 5.00 0.00 2.74 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 13 T 7.76 4.39 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 14 K 8.53 4.38 0.00 1.60 1.65 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.36 7.81 15 L 8.37 5.03 0.00 1.48 1.54 0.91 0.74 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 16 I 8.40 4.24 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.35 0.93 0.00 0.00 17 G 8.52 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 18 N 8.88 4.93 0.00 2.73 2.82 0.00 0.00 5.90 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 19 M 7.77 4.23 0.00 2.20 2.17 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 2.42 0.00 20 A 8.11 4.74 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 21 L 8.87 4.10 0.00 1.39 1.55 -0.36 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.29 4.45 0.00 1.70 1.65 1.01 1.00 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 23 P 0.00 4.51 0.00 2.10 2.12 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 24 I 7.84 4.18 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.55 1.11 0.00 0.00 25 R 8.29 4.05 0.00 2.14 1.93 0.00 3.32 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 26 S 8.01 4.77 0.00 3.94 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 27 Q 8.88 4.12 0.00 1.75 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 28 F 7.78 4.11 0.00 3.02 3.08 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 29 K 8.71 4.36 0.00 1.82 1.79 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 30 G 8.27 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.07 2.14 0.00 3.87 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 1.97 2.14 0.00 32 A 8.12 3.93 1.58 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 0.00 0.00 33 P 0.00 4.51 0.00 2.03 2.02 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 34 R 8.24 4.67 0.00 1.77 1.82 0.00 3.16 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 35 E 8.21 4.73 0.00 1.89 1.87 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 2.20 2.57 0.00 *37 K 8.36 4.12 0.00 1.96 1.77 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 38 D 8.51 4.71 0.00 2.76 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 39 T 7.59 4.47 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 1.11 0.00 0.00 40 D 8.76 4.78 0.00 3.09 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 41 I 7.66 3.73 1.94 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 1.49 1.26 0.97 0.00 0.00 42 V 7.86 3.71 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 1.00 0.00 0.00 0.91 0.00 0.00 43 D 8.49 4.26 0.00 2.93 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.66 0.00 2.16 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 2.33 2.22 0.00 45 A 7.91 4.08 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 46 I 7.42 3.74 2.01 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 1.31 0.77 0.94 0.00 0.00 47 Y 7.90 4.34 0.00 2.73 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 48 Y 7.85 4.30 0.00 3.04 2.84 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 49 F 8.67 3.50 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 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0.00 2.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.00 67 T 7.82 4.11 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 1.36 0.00 0.00 68 L 8.06 4.04 0.00 1.98 1.94 1.05 1.18 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 69 I 8.46 3.65 2.29 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.53 1.09 0.00 0.00 70 Y 8.22 3.94 0.00 3.46 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 71 I 7.97 3.70 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 1.56 0.82 0.92 0.00 0.00 72 T 7.70 3.88 4.09 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 0.00 0.00 0.73 0.00 0.00 73 L 8.11 4.10 0.00 1.59 1.57 0.76 0.91 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 74 Y 7.74 3.80 0.00 2.59 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 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 8.28 4.05 0.00 2.26 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 0.00 2.32 2.37 0.00 93 K 8.43 4.09 0.00 2.04 1.87 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.58 7.81 94 E 8.33 3.91 0.00 2.11 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 0.00 2.42 2.49 0.00 95 M 8.04 4.04 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 96 Y 7.48 4.19 0.00 3.12 3.25 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 97 T 8.52 3.85 4.46 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 0.00 0.00 0.00 1.24 0.00 0.00 98 L 8.48 4.19 0.00 2.06 2.00 1.37 1.01 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 99 G 8.73 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 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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 1.41 0.85 1.06 0.00 0.00 117 Y 8.23 4.44 0.00 3.40 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 0.00 118 A 8.84 4.19 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 0.00 119 K 8.15 4.52 0.00 1.71 1.69 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.52 7.81 120 P 0.00 4.31 0.00 2.23 2.16 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 121 A 8.95 4.18 1.33 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 0.00 122 N 7.29 4.22 0.00 3.00 2.91 0.00 0.00 6.52 7.11 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 0.00 123 K 8.14 3.88 0.00 1.88 1.84 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.56 7.81 124 Q 8.10 3.87 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 125 E 8.27 3.91 0.00 2.21 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 0.00 2.30 2.30 0.00 126 D 8.18 4.28 0.00 2.91 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 0.00 127 E 8.01 3.92 0.00 2.30 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 0.00 2.32 2.55 0.00 128 V 7.82 3.54 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 0.81 0.00 0.00 0.95 0.00 0.00 129 M 8.69 3.92 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 130 R 8.14 3.85 0.00 2.13 1.99 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 131 A 8.08 4.01 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 0.00 132 Y 8.49 4.22 0.00 2.87 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 0.00 133 L 7.96 3.46 0.00 1.71 1.56 0.41 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.83 3.78 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.50 0.00 135 Q 8.07 3.83 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 136 L 8.14 3.78 0.00 1.59 1.53 0.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.84 3.11 0.00 1.57 1.27 0.00 2.44 0.00 0.00 2.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 138 Q 7.75 3.59 0.00 1.45 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 139 E 7.70 3.92 0.00 2.09 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 0.00 2.38 2.44 0.00 140 T 8.00 3.94 4.54 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 1.22 0.00 0.00 141 G 8.34 3.63 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 0.00 0.00 0.00 142 L 7.88 4.16 0.00 2.09 2.02 1.23 1.04 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 0.00 143 R 8.20 3.91 0.00 1.85 1.95 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 144 L 7.88 3.60 0.00 1.78 1.41 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 145 C 8.15 4.28 0.00 3.26 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 0.00 146 E 7.90 4.03 0.00 2.17 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 2.68 2.34 0.00 147 K 7.84 4.10 0.00 1.21 1.95 0.00 1.98 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.28 7.81 148 V 7.38 3.34 1.64 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 0.44 0.00 0.00 0.30 0.00 0.00 149 F 7.25 5.03 0.00 3.01 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 0.00 150 D 8.46 4.63 0.00 2.84 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 0.00 151 P 0.00 4.39 0.00 2.12 2.12 0.00 3.73 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 2.08 2.17 0.00 152 Q 8.77 4.39 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 153 N 8.55 4.21 0.00 2.74 2.76 0.00 0.00 6.82 8.49 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 0.00 154 D 8.78 4.87 0.00 2.98 2.68 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 0.00 155 K 7.80 4.87 0.00 2.01 1.74 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.77 7.81 156 P 0.00 4.06 0.00 1.84 1.83 0.00 3.75 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 2.11 0.00 157 S 9.32 4.28 0.00 4.06 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 0.00 158 K 9.00 4.18 0.00 1.71 1.94 0.00 1.24 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 0.52 7.81 159 W 7.83 4.60 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 0.00 160 W 8.91 4.80 0.00 3.45 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 0.00 161 T 8.30 4.02 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 0.00 162 C 8.04 4.25 0.00 2.97 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 0.00 163 F 8.57 4.49 0.00 3.38 3.32 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 0.00 164 V 7.75 3.60 2.26 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 0.71 0.00 0.00 1.02 0.00 0.00 165 K 7.90 4.32 0.00 1.78 1.90 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.46 7.81 166 R 8.37 4.17 0.00 1.91 1.80 0.00 3.38 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 167 Q 8.35 4.44 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 168 F 8.87 4.78 0.00 2.97 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 0.00 169 M 8.51 3.02 0.00 1.94 1.77 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 1.00 1.66 0.00 170 N 8.18 4.22 0.00 2.74 2.82 0.00 0.00 6.62 7.18 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 0.00 171 K 7.89 4.71 0.00 1.72 1.54 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.37 7.81 172 S 7.97 4.58 0.00 3.77 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 0.00 173 L 8.45 4.24 0.00 1.56 1.70 0.33 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 174 S 7.98 4.87 0.00 3.92 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 0.00 175 G 7.96 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.