NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 G 3.9811 8.3544 109.7443 44.8604 0.0000 172.9451 39 F 4.0243 8.7126 121.7021 57.1669 39.8845 172.8372 40 D 4.5957 7.2420 127.4536 51.5504 41.9975 174.8591 41 P 4.4235 0.0000 0.0000 62.5193 31.2428 179.0896 *43 R 4.1154 8.2074 120.2151 57.6486 31.9463 176.4857 44 Y 4.0386 7.9564 118.0020 60.6363 38.6234 177.9031 45 A 4.0936 8.4023 121.9312 55.0977 18.4363 179.5751 46 R 3.5752 7.8071 116.7055 59.5514 29.9848 178.4472 47 E 3.8998 7.8955 117.1726 59.3272 29.4864 178.9547 48 L 4.1199 7.7250 118.0931 57.4581 41.9840 179.0925 49 W 4.6333 8.2558 128.3411 60.4942 30.6084 178.5373 50 F 4.3737 7.7046 114.8109 58.5158 38.3188 176.7620 *52 L 4.1710 7.8083 122.0723 55.2231 43.6471 177.7992 53 Q 3.8000 8.0516 116.7177 59.1068 29.0821 178.1413 54 D 4.5462 7.6489 119.1995 54.5219 38.0507 176.2258 *57 N 4.6219 8.0190 118.5188 53.0777 40.9931 176.2087 58 E 3.8727 7.9210 116.9350 58.7161 29.6816 176.1068 59 G 3.7153 7.5302 106.5364 44.3096 0.0000 172.9323 60 L 4.4300 8.3852 127.1497 53.9909 45.2407 175.4772 61 G 4.1028 8.6505 113.4205 45.0923 0.0000 173.0125 62 Y 4.3844 8.6415 119.6427 56.3279 39.4501 174.7787 63 D 4.6897 8.6445 120.6245 54.4302 42.1802 176.5923 64 A 4.1081 8.9233 129.9760 55.4895 18.4291 179.6269 65 V 3.5277 7.8269 115.9467 66.0941 31.7024 177.4921 66 E 3.9153 8.5136 118.9862 59.3074 29.3839 178.8827 67 V 3.2006 7.5035 117.9454 65.9834 31.6008 177.9560 68 L 4.0536 8.0860 118.6813 57.9697 41.4673 179.2982 69 N 4.4139 8.5603 116.7489 56.6877 38.4738 177.6684 70 T 4.0156 8.2434 117.1952 66.5669 68.3474 176.7712 71 L 4.1315 8.1452 120.3957 58.0050 41.6847 179.0702 72 D 4.6278 8.2088 120.5268 57.8281 40.8392 178.9885 73 E 4.3728 8.0756 118.0279 60.0094 31.3062 179.3264 74 N 5.0422 8.6443 117.5505 50.5496 41.1044 172.3701 75 P 4.2348 0.0000 0.0000 65.3709 31.7193 177.5560 76 E 3.9908 8.1038 116.6994 59.1479 29.1993 178.9619 77 L 3.8909 7.8337 118.9749 57.9675 42.2412 178.5022 78 A 4.2926 7.8651 119.5490 55.5556 18.6595 178.8924 79 H 4.4827 8.3851 116.2902 58.4882 28.6183 177.8525 80 Q 3.7855 7.6473 115.3201 57.6110 28.6503 176.7758 *82 F 4.1900 7.9269 115.9973 56.6077 41.4022 175.1353 83 A 4.6522 7.1698 124.0676 50.0720 19.9056 176.1675 *85 V 4.0671 8.0593 107.5914 61.7923 32.5676 175.0015 86 V 4.3921 8.1418 121.6642 61.9231 34.6612 174.9405 87 G 4.0719 8.7024 115.3326 47.4059 0.0000 174.4605 88 V 4.4284 8.3143 116.7697 60.8005 32.4613 175.7912 89 S 4.4071 7.5822 113.6960 58.2972 63.4852 173.7634 90 N 4.5531 8.1526 116.6676 53.8449 38.7461 175.4397 91 Y 4.4725 7.0832 116.9097 57.9832 38.9420 175.6717 92 R 4.3697 8.9421 121.2947 54.7093 33.6402 173.7344 93 Y 5.0122 8.4666 121.9496 56.6756 39.6429 174.2884 94 Y 4.6445 8.9936 122.3903 56.0558 41.4867 174.8108 95 I 5.2132 8.4657 122.8855 59.5461 40.5880 174.5017 96 I 5.4180 9.2406 120.6932 59.1923 41.0812 174.3973 97 Q 4.6126 9.2458 120.8013 54.6578 32.5977 175.2934 98 G 3.4304 6.0322 105.4510 45.7092 0.0000 171.1138 99 V 4.8952 8.3895 119.1424 61.1091 34.0408 176.3574 100 G 4.4635 9.4299 114.1822 44.4431 0.0000 170.7593 101 E 5.1919 8.5140 121.3855 54.1821 31.9216 175.0793 102 I 4.1172 8.7018 128.5364 61.9866 37.4911 176.6402 103 V 4.1536 8.8470 127.6487 64.1327 33.1649 175.6445 104 E 4.7825 7.9432 119.2971 54.9419 32.9621 174.1515 105 I 4.6772 8.2637 125.9621 59.9248 39.6226 175.2100 *107 D 4.6836 8.6293 122.9315 53.8523 42.6387 176.4359 108 D 5.0000 8.2962 114.9250 50.9376 40.0206 175.6347 109 G 4.1760 6.9833 105.5909 46.7273 0.0000 171.4037 110 I 5.0553 7.9216 112.8388 59.0432 40.6579 174.7446 111 L 4.9630 8.8679 125.5859 54.4015 43.3526 176.0519 112 V 4.7106 8.3011 123.1897 60.9976 34.5959 175.4354 *114 V 4.3063 8.5856 109.9726 61.1722 33.4937 175.9298 115 R 4.6708 8.2489 117.8240 54.1234 33.4177 174.7562 116 E 4.2670 8.4132 119.2074 56.0461 30.7217 175.9641 117 N 4.7921 8.5121 114.7599 54.7967 38.0876 174.8668 118 R 4.3196 7.0232 117.8308 55.3024 29.9960 176.2919 *120 V 3.8932 8.0272 116.8685 61.2212 32.8373 173.3974 121 P 4.3887 0.0000 0.0000 63.1095 31.9478 177.4837 122 D 4.4159 8.6584 120.7833 56.8269 42.0710 176.4286 123 L 5.1870 8.1471 117.1328 52.7699 46.2097 175.8511 124 F 5.2736 9.1587 126.0103 56.7813 41.1692 174.6659 125 L 4.7727 8.8686 129.0722 53.6157 42.2391 176.1750 126 S 4.8511 7.9241 118.1355 55.8725 66.5221 173.6145 127 N 4.6484 8.6499 115.7402 53.2159 37.3009 175.1897 128 H 4.9234 7.4498 118.1334 55.0171 27.0908 173.8652 129 I 4.1502 7.2202 120.6068 59.5223 36.5865 175.0937 130 F 4.6831 7.9290 122.5772 56.1384 42.7590 176.0622 131 G 3.9910 8.7732 111.5193 45.5639 0.0000 173.1726 132 N 4.8635 8.3082 112.9303 52.9963 39.0975 177.7309 133 G 3.8255 8.2443 108.5491 48.0301 0.0000 176.1877 134 I 3.7450 7.6459 121.3652 64.4197 37.3029 178.5787 135 V 3.6692 7.6396 118.5704 66.0277 31.2206 177.6525 136 N 4.1318 7.9626 115.2947 55.9280 38.3143 177.0553 137 A 4.2033 8.0043 121.9180 54.6982 18.5757 178.9545 138 T 4.3312 7.8096 106.2163 61.1894 69.5948 175.8727 139 G 3.9807 8.0475 108.9618 46.2410 0.0000 174.8734 140 I 3.8667 7.6705 114.5697 62.7434 37.8424 175.6368 141 A 5.1545 7.4859 120.8619 49.9556 22.4572 175.0381 *144 E 4.3222 8.5583 118.9093 56.3703 31.3315 177.1004 145 D 4.6066 8.0501 116.4930 55.1118 41.1927 175.4335 146 F 4.6781 7.3698 116.7004 55.3058 41.9297 175.0020 147 D 4.4639 8.6210 123.7497 56.2315 41.3047 177.0489 148 R 4.7132 7.5490 116.5029 53.5012 34.9597 176.3005 149 I 3.6543 8.1936 122.5417 64.5827 37.1054 178.6831 150 I 3.7112 7.6670 118.9708 63.8844 37.8390 177.4954 151 D 4.1984 7.7808 119.5224 57.0840 40.5097 178.1651 152 F 2.3464 7.2358 120.3744 60.9122 39.3068 176.9697 153 N 4.1006 8.0248 115.8609 56.2943 38.2966 177.5399 154 L 3.9832 8.0908 120.6292 57.8429 41.5697 179.7476 155 T 3.8332 7.8932 115.5161 66.5773 68.3792 176.1921 156 A 3.7591 7.6338 122.8549 55.6650 18.0091 179.8744 157 T 3.6734 7.4633 112.5499 66.8375 68.6121 176.5501 158 E 4.0170 8.0428 119.3523 59.1167 29.8667 178.8512 159 L 4.0205 8.1675 120.7875 57.9573 41.9880 180.2401 160 N 4.4197 7.7991 115.0835 53.1069 38.7563 176.4852 *162 I 3.9343 7.7542 122.1029 61.5030 39.1460 179.2919 163 V 3.4258 6.8608 117.6036 63.1515 30.7856 177.5810 *165 E 4.1804 8.3722 118.8679 55.7143 30.9709 177.4729 166 E 4.4301 8.3493 115.0010 56.6516 30.1417 176.8991 167 V 4.1838 7.3425 116.4403 64.5940 33.1051 177.3329 168 V 3.6426 7.6988 117.5173 66.1087 31.4164 177.9337 169 N 4.3194 7.9882 114.6684 56.2320 38.5105 176.8586 170 S 4.2313 7.6653 113.7892 61.4247 62.7852 175.7900 171 F 4.3026 8.0136 123.3342 60.9886 39.2010 177.9408 172 L 3.9192 8.1537 116.8742 55.3269 41.3517 179.0391 *174 Q 4.2177 8.1073 120.3478 55.9846 30.8107 177.6815 175 L 3.8120 7.5796 117.2431 57.7913 41.6715 180.7037 176 S 4.2550 7.4677 113.4265 57.8812 60.6513 175.1684 *178 G 3.8006 8.1902 107.6514 45.9964 0.0000 175.1224 179 A 4.0495 8.2063 124.0980 54.7929 18.4467 177.7389 180 G 3.9752 7.0743 99.9149 46.1587 0.0000 171.2868 181 S 4.4645 8.3566 112.4723 57.1274 65.5619 173.5617 182 V 3.7746 8.2836 119.6214 65.2876 31.3000 176.0625 183 G 4.1047 9.2304 115.6247 45.7635 0.0000 174.1595 184 S 4.4360 8.1739 115.7634 58.6106 64.2897 173.3758 185 L 5.0985 8.4658 121.9577 53.6291 44.0393 175.7684 186 V 4.9557 8.9023 122.4691 61.1153 34.8764 174.7513 187 R 4.7864 9.2613 128.4918 56.2437 31.3115 175.7814 188 F 6.2618 8.6303 117.5223 54.2568 42.1100 173.4334 189 I 5.1955 8.6884 119.8779 59.7447 40.4205 174.3657 190 A 5.3703 9.5630 127.2642 50.6451 23.3287 175.0979 191 V 5.2121 9.0478 113.0520 59.6707 35.2931 175.0339 192 F 5.4057 8.8926 118.0372 55.7949 41.8992 173.1512 193 T 5.1751 8.8378 115.7428 61.8794 71.0503 173.5771 194 L 5.0234 9.0464 125.3415 51.8242 45.8180 176.4882 195 L 5.0222 8.4257 125.0250 55.1720 40.3169 178.4990 *197 D 4.5838 8.7211 116.1583 53.2278 42.2505 174.5773 198 E 4.2701 8.0434 120.8808 55.0690 30.3991 176.0296 199 E 4.0593 8.5243 125.1983 56.2427 30.0727 177.0840 200 I 3.7175 7.9165 123.8647 61.1907 38.0482 174.7245 *202 Y 4.4922 7.9047 118.0483 57.2241 38.7153 173.6967 203 P 5.0100 0.0000 0.0000 62.1165 32.5188 176.2360 204 I 3.7931 8.7486 125.3330 61.0343 38.1582 174.7306 205 E 4.8353 8.7867 128.6453 55.7397 30.1954 175.3557 206 A 5.0470 8.9797 128.1985 50.1992 23.3690 174.5865 207 I 4.3937 8.9299 121.9207 59.6221 38.6048 173.4341 208 P 5.0052 0.0000 0.0000 62.5735 31.6142 176.0706 209 L 4.7586 9.1943 124.2456 55.6569 43.2040 176.2373 210 Y 4.8603 7.9010 119.5960 56.1158 42.5524 173.8338 211 L 4.7714 7.6505 125.6564 53.5463 45.5706 174.8432 212 E 4.7742 9.0451 124.8347 54.3638 33.4960 174.3607 213 I 4.3886 8.8381 127.8970 61.6921 37.9968 175.7560 214 Q 4.2896 8.9328 127.6739 56.2879 28.5304 175.1876 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 38 G 8.35 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.71 4.02 0.00 3.08 3.02 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 40 D 7.24 4.60 0.00 2.54 2.29 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 0.00 41 P 0.00 4.42 0.00 2.31 2.52 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 *43 R 8.21 4.12 0.00 1.91 2.22 0.00 3.16 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 44 Y 7.96 4.04 0.00 3.06 2.98 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 0.00 0.00 0.00 45 A 8.40 4.09 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 46 R 7.81 3.58 0.00 1.78 1.95 0.00 2.94 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.13 0.00 47 E 7.90 3.90 0.00 1.91 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 2.36 2.46 0.00 48 L 7.73 4.12 0.00 1.97 1.83 1.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.26 4.63 0.00 3.32 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 50 F 7.70 4.37 0.00 3.20 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 *52 L 7.81 4.17 0.00 1.77 1.78 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.05 3.80 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.16 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 54 D 7.65 4.55 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 N 8.02 4.62 0.00 2.80 2.86 0.00 0.00 7.27 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 58 E 7.92 3.87 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 2.30 2.26 0.00 59 G 7.53 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 60 L 8.39 4.43 0.00 1.46 1.42 0.87 1.17 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 61 G 8.65 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 0.00 0.00 0.00 62 Y 8.64 4.38 0.00 2.96 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 4.69 0.00 2.79 2.56 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 0.00 0.00 0.00 0.00 64 A 8.92 4.11 1.61 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 0.00 0.00 65 V 7.83 3.53 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 1.13 0.00 0.00 0.96 0.00 0.00 66 E 8.51 3.92 0.00 2.21 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 2.44 2.41 0.00 67 V 7.50 3.20 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 1.16 0.00 0.00 0.33 0.00 0.00 68 L 8.09 4.05 0.00 1.78 1.82 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.56 4.41 0.00 2.80 2.91 0.00 0.00 7.06 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 70 T 8.24 4.02 4.64 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 1.36 0.00 0.00 71 L 8.15 4.13 0.00 1.83 1.74 0.81 1.35 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 72 D 8.21 4.63 0.00 2.90 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 73 E 8.08 4.37 0.00 2.09 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 2.26 2.18 0.00 74 N 8.64 5.04 0.00 2.63 2.68 0.00 0.00 7.24 7.65 0.00 0.00 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 P 0.00 4.23 0.00 2.18 2.08 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.36 0.00 76 E 8.10 3.99 0.00 1.98 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 2.42 2.33 0.00 77 L 7.83 3.89 0.00 1.61 1.92 0.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.87 4.29 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.39 4.48 0.00 3.33 3.33 0.00 5.64 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 80 Q 7.65 3.79 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 *82 F 7.93 4.19 0.00 3.27 2.81 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 83 A 7.17 4.65 0.58 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 *85 V 8.06 4.07 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 0.71 0.00 0.00 0.96 0.00 0.00 86 V 8.14 4.39 2.22 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 1.07 0.00 0.00 0.87 0.00 0.00 87 G 8.70 4.07 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 0.00 0.00 0.00 88 V 8.31 4.43 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 0.81 0.00 0.00 0.94 0.00 0.00 89 S 7.58 4.41 0.00 4.10 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 90 N 8.15 4.55 0.00 2.43 2.70 0.00 0.00 6.96 7.46 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 91 Y 7.08 4.47 0.00 2.74 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 0.00 0.00 0.00 0.00 92 R 8.94 4.37 0.00 1.63 1.62 0.00 3.15 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.26 0.00 93 Y 8.47 5.01 0.00 2.88 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 94 Y 8.99 4.64 0.00 1.46 2.15 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 95 I 8.47 5.21 1.95 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 1.47 1.14 0.98 0.00 0.00 96 I 9.24 5.42 2.12 0.00 0.00 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 1.73 1.74 1.18 0.00 0.00 97 Q 9.25 4.61 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 98 G 6.03 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 0.00 0.00 0.00 99 V 8.39 4.90 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 0.89 0.00 0.00 0.89 0.00 0.00 100 G 9.43 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 0.00 0.00 0.00 0.00 101 E 8.51 5.19 0.00 2.10 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 2.33 2.47 0.00 102 I 8.70 4.12 2.09 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.98 0.00 0.00 103 V 8.85 4.15 2.19 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 0.72 0.00 0.00 0.94 0.00 0.00 104 E 7.94 4.78 0.00 2.03 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 0.00 2.27 2.34 0.00 105 I 8.26 4.68 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.94 0.00 0.00 *107 D 8.63 4.68 0.00 2.75 2.81 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 0.00 108 D 8.30 5.00 0.00 2.87 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 0.00 109 G 6.98 4.18 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 0.00 110 I 7.92 5.06 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.25 1.10 0.00 0.00 111 L 8.87 4.96 0.00 1.64 1.63 0.86 0.53 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 0.00 112 V 8.30 4.71 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 1.24 0.00 0.00 0.92 0.00 0.00 *114 V 8.59 4.31 2.19 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 0.99 0.00 0.00 0.99 0.00 0.00 115 R 8.25 4.67 0.00 1.69 1.74 0.00 3.16 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 116 E 8.41 4.27 0.00 1.98 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 2.37 2.23 0.00 117 N 8.51 4.79 0.00 2.79 2.83 0.00 0.00 6.94 7.65 0.00 0.00 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 R 7.02 4.32 0.00 1.65 1.66 0.00 3.24 0.00 0.00 3.12 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 *120 V 8.03 3.89 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 0.70 0.00 0.00 1.00 0.00 0.00 121 P 0.00 4.39 0.00 2.17 1.97 0.00 3.57 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 2.09 2.10 0.00 122 D 8.66 4.42 0.00 2.57 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 0.00 123 L 8.15 5.19 0.00 1.39 1.32 0.63 0.78 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 0.00 124 F 9.16 5.27 0.00 2.96 2.90 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 0.00 125 L 8.87 4.77 0.00 1.48 1.44 0.54 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.92 4.85 0.00 3.18 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 0.00 127 N 8.65 4.65 0.00 2.79 2.98 0.00 0.00 7.38 8.12 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 0.00 128 H 7.45 4.92 0.00 3.40 3.53 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 7.22 4.15 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.43 0.80 0.00 0.00 130 F 7.93 4.68 0.00 3.00 2.90 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 0.00 131 G 8.77 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 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8.21 4.05 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 0.00 180 G 7.07 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 181 S 8.36 4.46 0.00 3.96 3.96 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 0.00 182 V 8.28 3.77 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 0.87 0.00 0.00 0.98 0.00 0.00 183 G 9.23 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 0.00 0.00 0.00 184 S 8.17 4.44 0.00 3.95 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 0.00 185 L 8.47 5.10 0.00 1.65 1.63 0.96 0.75 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 0.00 186 V 8.90 4.96 2.19 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 0.94 0.00 0.00 1.17 0.00 0.00 187 R 9.26 4.79 0.00 2.02 1.88 0.00 3.08 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 188 F 8.63 6.26 0.00 3.14 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 0.00 189 I 8.69 5.20 2.00 0.00 0.00 0.65 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 0.65 1.03 0.00 0.00 190 A 9.56 5.37 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 0.00 191 V 9.05 5.21 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 0.82 0.00 0.00 1.03 0.00 0.00 192 F 8.89 5.41 0.00 3.05 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 0.00 193 T 8.84 5.18 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 0.91 0.00 0.00 194 L 9.05 5.02 0.00 1.76 1.66 1.05 0.61 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 0.00 195 L 8.43 5.02 0.00 1.78 0.80 0.35 1.26 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 *197 D 8.72 4.58 0.00 2.72 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 0.00 198 E 8.04 4.27 0.00 2.12 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 2.32 2.32 0.00 199 E 8.52 4.06 0.00 1.98 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 2.31 2.33 0.00 200 I 7.92 3.72 1.75 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 1.38 0.68 0.36 0.00 0.00 *202 Y 7.90 4.49 0.00 2.99 2.86 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 0.00 203 P 0.00 5.01 0.00 2.01 2.12 0.00 3.73 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 204 I 8.75 3.79 1.52 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.18 0.15 0.00 0.00 205 E 8.79 4.84 0.00 2.12 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 2.29 2.44 0.00 206 A 8.98 5.05 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 0.00 207 I 8.93 4.39 1.93 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 1.28 0.77 0.91 0.00 0.00 208 P 0.00 5.01 0.00 2.04 2.02 0.00 3.70 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 1.89 1.88 0.00 209 L 9.19 4.76 0.00 1.72 2.06 1.06 0.78 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 0.00 210 Y 7.90 4.86 0.00 3.02 2.81 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 0.00 211 L 7.65 4.77 0.00 1.08 0.31 0.62 0.49 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 0.00 212 E 9.05 4.77 0.00 1.75 1.89 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 2.29 2.32 0.00 213 I 8.84 4.39 1.99 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 1.31 0.84 0.98 0.00 0.00 214 Q 8.93 4.29 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.