NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.1081 8.2033 119.5735 55.7089 30.6511 173.6883 13 F 5.2264 8.4907 120.7027 55.3526 42.0219 173.4812 14 L 4.5996 9.0879 123.0694 54.8751 43.9953 176.5409 15 R 5.2941 8.4893 121.7688 54.8312 34.5736 172.8308 16 T 4.2245 8.4956 107.7435 64.3575 69.2543 174.8953 17 D 4.6289 9.4650 122.7451 54.5138 39.4905 174.0645 18 D 4.5033 7.5474 119.9430 54.1736 42.1202 175.6944 19 E 4.3356 8.9558 123.7513 56.0770 29.7557 175.9776 20 V 4.9536 9.1443 118.3945 59.4884 35.5568 175.2600 21 V 4.7595 8.6465 115.7358 59.6771 35.0297 174.9008 22 L 5.0511 8.6237 126.5866 54.3526 43.2150 176.0915 23 Q 5.4705 9.4289 125.0911 53.9164 32.1767 170.7682 24 C 4.7982 8.8796 118.2629 56.7541 33.3492 173.8266 25 S 5.0775 8.2805 117.9556 58.1755 63.6417 174.1922 26 A 4.6059 8.5180 122.6434 50.9085 23.0464 175.9324 27 T 4.5196 8.4839 111.8716 60.0918 69.1372 174.2457 28 V 4.2077 8.0534 126.5014 61.6029 33.3150 176.0114 29 L 3.5643 8.7702 129.5194 57.1600 41.0526 175.6536 *32 Q 4.2888 7.7844 114.1824 54.6009 29.7285 177.6662 33 L 4.9356 9.0937 124.5241 52.5754 46.0983 176.3509 34 K 4.6787 8.5547 125.7135 53.9092 33.7554 174.4124 35 L 4.6584 8.8629 127.1578 52.4642 43.6428 175.5846 36 C 5.0608 8.8400 122.5885 58.2408 30.2073 172.9595 37 L 4.5123 9.3390 126.3001 55.0345 42.7967 175.5294 38 A 4.8278 9.0250 127.4370 50.1745 22.7480 174.4097 39 A 4.8250 8.3946 122.3705 51.1516 22.7396 176.4865 40 E 4.5535 9.2429 117.5641 53.9697 31.9501 174.4995 41 G 3.8051 8.6849 116.5034 43.6073 0.0000 173.6028 *45 R 4.1823 8.1594 122.7606 55.5255 31.0490 170.8749 46 L 4.6658 8.1493 114.9728 56.3430 42.3120 177.3985 47 C 4.7927 8.8846 119.7494 59.9712 29.3684 172.7029 48 F 5.1388 9.1061 115.8898 55.8169 41.7893 172.7102 49 L 5.2662 8.9502 120.1505 53.5607 44.6704 176.9375 50 E 4.7666 9.1418 120.9151 54.1906 32.5980 172.7072 51 P 4.7194 0.0000 0.0000 62.3602 32.2407 177.3027 52 T 4.4431 7.8890 116.6936 59.9261 69.9195 171.5485 *59 P 4.2004 0.0000 0.0000 62.4159 32.5063 174.7423 60 P 4.3649 0.0000 0.0000 65.3553 31.3780 176.5957 61 D 4.6003 7.8442 118.7450 52.4175 41.8131 175.7555 62 L 4.1568 8.6017 124.2240 55.9706 41.7161 175.2842 63 A 3.9367 8.2254 121.7209 56.5453 18.6360 179.4956 64 I 3.9299 7.6359 112.1924 61.8713 35.9832 179.0731 65 C 4.4824 7.5656 114.1891 61.3659 29.0317 173.6072 66 C 4.2577 7.7337 121.2719 59.3232 32.1775 172.5264 67 F 5.2561 9.3353 125.2612 55.7794 42.2631 174.1440 68 T 4.9419 8.7867 113.2041 60.0810 71.3981 174.0452 69 L 4.5812 8.4768 125.3015 54.4522 40.9802 177.3526 70 E 4.1560 9.2083 127.3410 59.2286 30.1114 177.2063 71 Q 4.7545 7.8944 118.6171 53.8168 32.9585 175.3614 72 S 5.2770 8.9587 117.0613 56.2449 64.5993 172.7884 73 L 5.0794 9.1895 127.2316 52.6268 45.8652 176.8133 74 S 4.7337 8.4024 117.9202 57.9805 64.7026 176.3423 75 V 3.6235 8.2997 122.6128 66.8392 31.1477 177.0288 76 R 4.2411 7.8577 120.6675 60.9035 29.3723 180.4847 77 A 4.1230 7.7258 120.3970 54.7928 18.3941 179.5884 78 L 3.4878 7.8285 121.5859 58.9259 42.0232 179.8969 79 Q 3.9206 7.4767 119.2344 60.1641 27.7689 180.1265 80 E 4.1984 7.5992 121.4266 60.1061 29.9087 179.6669 81 M 4.2518 8.0336 122.9670 60.2098 31.2443 181.5706 82 L 4.2180 7.7141 122.1866 58.9495 41.1626 180.7121 83 A 4.3778 7.5455 118.2439 52.7402 18.5057 177.4624 84 N 4.1348 8.0113 114.6155 54.3252 38.0794 175.6777 *98 H 4.5381 8.7794 116.3293 56.1720 30.9939 173.6143 99 R 4.6829 9.0436 123.7094 54.5896 33.0675 174.6430 100 T 4.5479 8.4756 122.7022 63.2619 69.6014 174.3602 101 L 4.1960 9.1089 126.6981 54.6685 43.0682 176.0632 102 L 5.0996 8.0430 122.0220 52.5707 46.0798 175.3641 103 Y 4.2807 8.8014 121.0153 59.9440 38.0693 176.4118 104 G 4.1181 8.7618 115.3120 46.2777 0.0000 174.0022 105 H 4.5466 8.5508 116.7479 55.7663 30.3370 174.3658 106 A 5.3816 9.7167 123.9355 50.5745 21.0379 176.2881 107 I 5.0131 9.3388 116.7896 59.1926 41.1512 174.6697 108 L 4.1505 8.5178 125.6136 53.2932 44.2700 175.1418 109 L 4.9272 8.3879 127.4673 53.4202 43.4645 175.4865 110 R 4.6178 8.6752 125.7418 54.4878 32.0006 175.0474 111 H 3.6303 9.2089 127.1829 56.4958 30.3629 175.7854 112 A 3.9024 7.7872 129.4139 55.6617 18.7896 179.5969 *113 H 4.1596 7.7595 111.3684 57.5234 27.3411 179.2868 114 S 4.3981 8.1888 115.4829 58.1632 63.6019 175.3108 115 R 3.9750 7.6134 117.2357 56.8791 26.6501 180.9955 116 M 4.5605 7.0502 116.0076 54.9795 35.3874 174.2761 117 Y 5.1034 8.8216 116.9726 56.0111 41.0769 175.5600 118 L 4.6121 8.9914 126.4467 55.5550 42.0753 176.0949 119 S 5.2117 9.0983 121.2369 56.6413 66.8573 172.5930 120 C 4.8916 8.6177 122.3959 58.3343 31.8160 173.5529 121 L 4.4070 8.6949 129.2756 55.2524 42.3561 177.9574 122 T 3.8040 8.4080 110.9786 60.9688 69.1083 174.6473 123 T 4.7703 7.4239 111.3153 60.8608 70.8904 175.0245 124 S 5.0367 8.2215 118.7963 57.6432 64.2092 173.7696 *131 L 4.0971 8.2583 119.0274 54.8340 43.2798 177.8704 132 A 3.9891 7.4884 119.6165 51.8321 19.6520 176.7001 133 F 5.2075 8.4520 119.0481 55.8733 42.2867 175.4007 134 D 5.0008 9.2542 121.3433 54.1952 42.6898 175.6472 135 V 4.7794 8.4818 119.8130 61.4313 34.0324 173.1090 136 G 4.2700 8.6795 118.7643 45.4786 0.0000 170.3028 137 L 5.5137 8.3081 123.4939 53.6928 44.7033 176.9137 138 Q 4.6835 9.4054 126.1917 54.5528 30.1083 175.4120 139 E 4.0113 9.3231 122.6255 58.3052 30.0755 175.7597 140 D 5.1847 7.8185 115.4965 51.0221 44.0429 177.7726 141 A 3.9923 7.9403 124.3161 51.4045 17.1271 177.1540 142 T 4.5121 7.2355 111.3723 60.0120 71.9818 176.2107 143 G 3.8580 8.5528 111.6828 45.0780 0.0000 172.8994 144 E 4.2329 8.3593 115.6392 57.5041 30.1558 178.8349 145 A 4.0000 7.8583 121.4676 54.6086 18.5400 179.2893 146 C 4.2939 7.9820 112.0468 61.7346 28.9457 173.7434 147 W 4.9239 7.8721 119.8804 55.3330 30.7821 175.7016 148 W 5.6031 9.0776 122.5393 55.2258 32.8703 174.2475 149 T 5.1081 9.4311 114.8230 60.6915 70.8709 173.4957 150 M 5.1252 8.6597 123.9034 54.8144 34.2683 174.9181 151 H 5.4557 9.0690 118.3639 53.5735 33.8620 171.7522 152 P 4.5077 0.0000 0.0000 62.5799 32.1515 175.6908 153 A 4.2680 8.3390 122.6857 54.2947 20.3320 178.9313 *156 Q 4.3613 8.1280 114.8043 55.4578 30.3008 178.7325 157 R 4.4441 7.7793 118.3685 55.4813 30.3043 178.2150 158 S 4.8303 8.1951 116.1192 55.0237 66.3299 172.3403 159 E 4.2620 8.4548 120.1123 58.7072 29.8593 175.8267 160 G 4.1963 9.3118 114.3083 45.5327 0.0000 173.9947 161 E 4.3036 7.9117 119.8867 56.5038 30.7492 177.7060 162 K 4.4297 8.4377 125.7473 55.2622 32.8610 177.6937 163 V 3.5302 8.8210 127.5683 62.5181 31.7046 176.3853 164 R 4.7416 8.7073 128.7536 56.1302 31.1863 172.6406 165 V 3.8406 8.4265 121.7488 64.5051 31.7307 176.6219 166 G 4.0225 9.0379 115.4891 44.9982 0.0000 172.7678 167 D 4.7195 7.3372 118.3333 53.9352 41.7930 175.9630 168 D 4.8329 8.7051 122.2580 54.3116 41.7352 175.6624 169 L 5.2250 9.3039 122.7611 53.0192 46.5856 175.3560 170 I 4.7812 8.9029 120.9536 59.8567 39.9608 174.9138 171 L 5.1945 8.8605 127.8111 53.3361 43.6232 175.6101 172 V 5.0520 8.9631 124.8146 60.7958 34.3568 174.6176 173 S 3.7252 9.2668 123.9074 58.1136 62.4899 175.0462 174 V 3.5958 7.9710 128.0298 66.1582 31.5771 177.7814 175 S 4.1258 8.0676 115.2828 60.9677 63.1661 175.7528 176 S 4.4123 7.3012 112.9744 56.6977 63.5422 174.3732 177 E 3.7358 8.1069 119.2095 57.1591 27.7350 174.2482 178 R 4.2476 7.2010 117.7190 55.3195 32.5484 175.2466 179 Y 5.2319 8.3748 118.8407 56.9088 38.8344 175.0163 180 L 4.3930 9.0600 125.0683 55.8118 43.0153 175.0319 181 H 5.3610 9.5666 127.4037 54.2199 33.0076 172.3273 182 L 4.8665 8.7401 128.5433 54.4427 42.5742 175.8821 183 S 5.0250 9.1949 121.4191 56.6035 66.6474 173.0465 184 T 5.1210 7.8633 110.4659 58.9242 70.6621 173.0253 *187 G 3.7677 8.4820 116.6700 44.8964 0.0000 175.8769 188 E 4.5232 7.9853 118.8061 53.7499 33.0272 177.1937 189 L 4.3141 8.5700 119.4993 57.3162 41.2212 176.8732 190 Q 5.0365 9.1507 124.8374 53.5696 32.2658 171.8094 191 V 5.0952 8.3478 117.3180 61.2221 33.9652 174.3764 192 D 5.0609 9.3471 125.0107 51.6731 43.6323 173.6449 193 A 5.7580 9.4265 120.8961 50.0022 21.2576 175.4937 194 S 4.6079 8.3186 116.3455 57.6673 66.7859 174.3240 195 F 4.8313 8.5980 116.3233 58.6329 39.2668 176.2287 196 M 4.4588 7.6865 121.2673 54.6226 32.5730 175.5422 197 Q 4.6924 8.3825 119.1177 54.5546 31.0501 174.7853 198 T 4.6389 7.8956 117.5639 61.6247 71.1528 173.8825 199 L 4.6469 8.1897 124.8020 54.1605 42.8001 176.2548 200 W 5.0614 9.0561 122.6358 54.9399 33.0623 174.0604 201 N 5.4609 9.6637 120.3685 51.9906 41.2768 173.8411 202 M 4.9217 8.9017 125.2440 54.4139 32.8620 174.4133 203 N 4.9512 8.7406 122.7894 50.8630 39.5913 171.9395 204 P 4.9094 0.0000 0.0000 62.2589 33.2350 177.1584 205 I 3.5969 8.0478 117.1010 60.4883 35.9563 172.8102 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 12 Q 8.20 4.11 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 13 F 8.49 5.23 0.00 3.01 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 14 L 9.09 4.60 0.00 1.60 1.58 0.92 1.16 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 15 R 8.49 5.29 0.00 1.44 1.74 0.00 3.25 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 16 T 8.50 4.22 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 1.24 0.00 0.00 17 D 9.47 4.63 0.00 2.73 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 18 D 7.55 4.50 0.00 2.90 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 19 E 8.96 4.34 0.00 1.92 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 2.36 2.33 0.00 20 V 9.14 4.95 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 0.77 0.00 0.00 1.03 0.00 0.00 21 V 8.65 4.76 2.13 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 0.93 0.00 0.00 1.03 0.00 0.00 22 L 8.62 5.05 0.00 1.46 1.52 0.61 0.17 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 23 Q 9.43 5.47 0.00 1.68 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 24 C 8.88 4.80 0.00 2.15 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 25 S 8.28 5.08 0.00 3.41 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 26 A 8.52 4.61 1.14 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 0.00 0.00 27 T 8.48 4.52 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 28 V 8.05 4.21 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 0.86 0.00 0.00 0.92 0.00 0.00 29 L 8.77 3.56 0.00 1.81 1.76 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 *32 Q 7.78 4.29 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 33 L 9.09 4.94 0.00 1.47 1.52 0.92 0.56 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 34 K 8.55 4.68 0.00 1.44 1.70 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.02 7.81 35 L 8.86 4.66 0.00 1.49 1.62 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.84 5.06 0.00 2.89 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 37 L 9.34 4.51 0.00 1.87 1.51 0.79 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 A 9.02 4.83 0.54 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 39 A 8.39 4.82 1.13 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 0.00 0.00 40 E 9.24 4.55 0.00 1.96 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 2.12 1.83 0.00 41 G 8.68 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 0.00 0.00 0.00 *45 R 8.16 4.18 0.00 1.78 1.89 0.00 3.25 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 46 L 8.15 4.67 0.00 1.62 1.72 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 C 8.88 4.79 0.00 2.99 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 48 F 9.11 5.14 0.00 3.10 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 49 L 8.95 5.27 0.00 1.60 1.64 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.14 4.77 0.00 1.58 1.80 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 2.12 2.12 0.00 51 P 0.00 4.72 0.00 1.95 2.01 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 52 T 7.89 4.44 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 *59 P 0.00 4.20 0.00 2.20 2.13 0.00 3.77 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 1.89 2.00 0.00 60 P 0.00 4.36 0.00 2.09 2.21 0.00 3.67 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 2.13 0.00 61 D 7.84 4.60 0.00 2.72 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 62 L 8.60 4.16 0.00 1.60 1.71 0.92 1.03 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 63 A 8.23 3.94 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 64 I 7.64 3.93 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 1.41 0.70 0.91 0.00 0.00 65 C 7.57 4.48 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 7.73 4.26 0.00 3.07 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 0.00 0.00 0.00 0.00 67 F 9.34 5.26 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 68 T 8.79 4.94 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 1.16 0.00 0.00 69 L 8.48 4.58 0.00 1.67 1.68 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 70 E 9.21 4.16 0.00 2.06 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 0.00 2.39 2.32 0.00 71 Q 7.89 4.75 0.00 1.72 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.25 1.90 0.00 72 S 8.96 5.28 0.00 3.89 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 73 L 9.19 5.08 0.00 1.39 1.39 0.65 0.99 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 74 S 8.40 4.73 0.00 3.85 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 75 V 8.30 3.62 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 0.80 0.00 0.00 0.93 0.00 0.00 76 R 7.86 4.24 0.00 1.81 1.96 0.00 3.21 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 77 A 7.73 4.12 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 78 L 7.83 3.49 0.00 1.46 1.58 -0.69 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.48 3.92 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 80 E 7.60 4.20 0.00 1.99 1.98 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 2.29 2.32 0.00 81 M 8.03 4.25 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 82 L 7.71 4.22 0.00 1.75 1.62 0.92 0.66 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 83 A 7.55 4.38 1.31 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 *113 H 7.76 4.16 0.00 2.95 2.98 0.00 7.20 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.19 4.40 0.00 3.98 4.13 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 0.00 115 R 7.61 3.98 0.00 2.01 1.91 0.00 3.14 0.00 0.00 3.88 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 116 M 7.05 4.56 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 117 Y 8.82 5.10 0.00 2.81 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 0.00 118 L 8.99 4.61 0.00 1.54 1.60 0.43 -0.23 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 0.00 119 S 9.10 5.21 0.00 3.94 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 0.00 120 C 8.62 4.89 0.00 2.52 2.54 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 0.00 121 L 8.69 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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 1.31 1.73 1.09 0.00 0.00 171 L 8.86 5.19 0.00 1.59 1.62 0.93 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 172 V 8.96 5.05 2.25 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 0.81 0.00 0.00 1.23 0.00 0.00 173 S 9.27 3.73 0.00 3.06 3.43 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 0.00 174 V 7.97 3.60 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 0.73 0.00 0.00 0.96 0.00 0.00 175 S 8.07 4.13 0.00 3.88 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 0.00 176 S 7.30 4.41 0.00 4.05 3.86 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 0.00 0.00 0.00 177 E 8.11 3.74 0.00 2.16 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 0.00 2.20 2.23 0.00 178 R 7.20 4.25 0.00 1.73 1.91 0.00 3.23 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.59 0.00 179 Y 8.37 5.23 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 9.06 4.39 0.00 1.41 1.34 0.18 -1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 181 H 9.57 5.36 0.00 3.53 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 8.74 4.87 0.00 1.50 1.36 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 183 S 9.19 5.02 0.00 3.92 4.01 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 0.00 184 T 7.86 5.12 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 *187 G 8.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 7.99 4.52 0.00 1.90 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 2.25 1.88 0.00 189 L 8.57 4.31 0.00 1.69 1.72 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 190 Q 9.15 5.04 0.00 1.66 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 191 V 8.35 5.10 2.25 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 0.98 0.00 0.00 1.01 0.00 0.00 192 D 9.35 5.06 0.00 2.92 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 0.00 193 A 9.43 5.76 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 0.00 194 S 8.32 4.61 0.00 3.76 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 0.00 195 F 8.60 4.83 0.00 3.16 3.18 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 0.00 196 M 7.69 4.46 0.00 1.88 1.54 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 197 Q 8.38 4.69 0.00 1.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 198 T 7.90 4.64 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 0.75 0.00 0.00 199 L 8.19 4.65 0.00 1.41 1.56 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 200 W 9.06 5.06 0.00 3.25 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 0.00 201 N 9.66 5.46 0.00 2.69 2.72 0.00 0.00 6.84 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 0.00 202 M 8.90 4.92 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 203 N 8.74 4.95 0.00 2.45 2.69 0.00 0.00 6.68 7.20 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 0.00 204 P 0.00 4.91 0.00 2.07 2.10 0.00 3.88 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 205 I 8.05 3.60 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 1.16 0.58 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.