NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Q 4.2582 8.3444 119.1162 54.8889 29.2043 174.6113 8 E 4.6877 8.4340 125.9214 52.6114 31.8927 172.0046 9 I 4.9424 9.0623 120.7218 59.3910 42.4672 173.4139 10 V 4.6657 8.2642 120.4757 61.3729 33.7079 175.3340 11 L 4.4084 8.6340 126.2346 55.2885 42.2863 176.5801 12 Q 4.6167 7.5887 116.3249 53.3851 32.0544 171.8023 13 P 4.4802 0.0000 0.0000 63.7654 32.5490 175.8365 14 R 5.4088 7.3344 120.7610 53.6881 29.8512 175.2834 15 S 4.6425 8.1649 114.9518 57.9360 65.1870 175.1332 16 I 4.4120 8.2345 123.6613 61.5064 37.6745 175.4630 17 V 4.8055 9.2483 125.8569 60.3254 35.9195 174.1009 18 V 4.8178 8.0051 120.7214 59.6668 34.4338 171.8685 19 P 4.6417 0.0000 0.0000 64.2333 31.6475 177.4267 20 G 3.8917 8.7886 109.4122 45.5257 0.0000 173.3190 21 E 4.2613 7.8764 121.9297 55.5491 30.8512 175.4323 22 L 4.1092 8.6233 129.4972 55.3762 42.4334 175.8110 23 L 3.9478 8.6236 125.9735 56.0539 43.8634 176.2762 24 A 4.7705 7.1290 117.0525 50.9840 22.5994 175.0148 25 E 5.2140 9.0950 118.2984 55.5105 33.6355 175.0963 26 G 4.0533 8.9954 111.5999 45.0049 0.0000 175.3633 27 E 4.5590 8.2467 116.4278 54.5587 28.2378 175.0872 28 F 4.4774 9.0899 125.4949 57.5197 40.6596 176.8792 29 Q 4.7847 8.4334 119.1237 53.9036 27.8853 176.0863 30 I 4.3051 7.3184 120.8009 59.1207 39.1826 175.0687 31 P 4.4354 0.0000 0.0000 61.9769 31.8527 176.2423 32 W 4.2505 8.6821 131.6486 57.5776 31.7036 175.2702 33 S 3.6713 6.9878 117.9990 55.1289 64.9717 172.9744 34 P 3.9129 0.0000 0.0000 65.0618 31.3300 176.6843 35 Y 4.9566 6.7510 114.9123 57.7982 38.3860 174.7247 36 I 5.2268 7.0052 119.1140 59.2172 41.1567 174.7476 37 L 4.7567 9.4062 127.4602 53.1986 44.7016 175.0455 38 K 4.5306 8.8878 128.4892 55.5049 33.1549 175.7589 39 I 4.4592 8.8724 129.1176 60.8209 40.5707 176.9200 40 N 4.0159 8.6035 122.6127 54.4846 38.8156 175.1102 41 S 4.8093 8.8658 121.4681 58.8481 63.8351 173.1069 42 K 5.0812 8.2151 119.7051 55.5354 36.1079 174.7533 43 Y 5.1474 8.5347 120.6986 56.4760 40.9597 174.4627 44 Y 5.2948 9.1827 120.8488 56.0115 42.6931 174.6712 45 S 4.9357 9.0732 117.9164 58.6985 63.6715 174.5505 46 T 4.5523 9.0143 116.3977 62.4069 69.9763 174.2920 47 V 4.9090 7.7179 114.3953 59.5177 36.6143 175.0979 48 V 3.9354 8.4022 122.0497 63.5220 32.3056 174.6821 49 G 4.1403 8.5126 116.5270 45.7145 0.0000 170.1944 50 L 5.2934 8.3641 122.7089 53.0820 45.3021 176.8331 51 F 5.1240 9.4833 130.1691 58.2245 40.5047 173.6267 52 D 4.8012 8.7635 124.8660 52.4299 45.0543 173.9658 53 V 4.6107 8.1951 124.9973 61.5905 34.9259 175.7660 54 K 4.4878 8.4085 127.0378 53.6593 36.3411 176.9994 55 D 4.3978 9.2284 126.0234 54.8268 39.9321 174.8349 56 T 4.4599 9.3116 118.2332 62.8043 70.4597 174.9767 57 Q 4.4426 7.9834 122.6522 54.5538 30.4321 178.6694 58 F 5.2258 7.2739 108.3043 58.5675 40.3120 172.4922 59 E 4.8121 8.9883 116.4082 55.7672 33.2052 173.9796 60 V 4.8287 8.4830 120.1400 61.3187 33.7339 174.7021 61 I 4.2687 8.6953 129.8465 58.9834 38.2799 173.4903 62 P 4.4404 0.0000 0.0000 62.8633 31.4460 176.5109 63 L 4.4128 8.6760 122.0987 54.7405 42.3981 176.0467 64 E 4.5493 7.9303 118.3022 54.7844 32.8554 173.4608 65 G 3.7444 8.4429 111.7240 44.6708 0.0000 173.8170 66 S 4.5516 8.6410 118.3882 57.8487 63.7537 173.4991 67 F 5.0724 7.5158 114.2016 56.7311 39.4007 174.2119 68 Y 4.8244 8.9960 121.6023 56.1931 40.9998 173.5988 69 Y 4.4616 8.2481 127.8607 55.2204 39.7469 173.4517 70 P 3.7283 0.0000 0.0000 62.4889 32.0498 176.5535 71 K 4.8962 8.1181 120.9354 52.6504 35.7495 176.0359 72 I 4.0147 8.5321 125.8070 62.9737 37.5574 176.9071 73 N 4.5866 9.1779 120.7713 52.4071 36.2537 172.5658 74 D 4.7678 8.0004 121.3495 55.9500 42.4965 176.2139 75 I 4.8146 8.4296 122.9547 59.8744 37.3641 173.2732 76 V 4.7776 9.1281 126.5052 59.1699 35.1388 173.6881 77 I 4.9252 8.0923 116.6972 59.2895 39.1400 175.1109 78 G 4.3401 9.5925 113.8176 44.1941 0.0000 171.2457 79 L 5.0150 8.8163 122.7734 52.6945 44.4558 175.7765 80 V 3.8887 8.6922 127.4907 63.4464 32.0063 175.6547 81 E 4.4283 9.2345 127.2263 57.3699 31.5500 176.0139 82 D 4.9073 7.9268 117.4975 52.3002 45.3124 174.8311 83 V 4.4722 8.5481 127.0785 60.7625 32.1246 175.9603 84 E 4.4282 8.8553 125.7362 55.3977 30.8912 175.4211 85 I 3.9984 8.4994 116.4762 64.5742 35.8736 174.9245 *86 Y 4.8132 9.0588 118.0782 54.1899 38.5262 178.7823 87 G 4.0424 7.1055 110.7266 46.6261 0.0000 171.9933 *88 W 5.2705 7.2014 121.5199 54.9719 32.7013 170.5190 89 V 4.6042 8.7550 125.0216 61.3360 32.5958 174.8300 90 V 4.8181 9.7253 128.3325 61.0776 34.8700 173.7377 91 D 5.0609 9.4957 128.4705 52.9345 42.0268 176.3470 92 I 4.5494 8.2885 119.9085 60.2607 38.1936 175.8541 93 K 4.0274 8.3624 117.6078 58.1900 30.3840 175.0012 94 A 5.5129 7.1166 119.8911 48.8913 21.3356 176.8927 95 P 4.3179 0.0000 0.0000 64.2055 31.4130 176.5556 96 Y 4.8630 7.0508 114.7167 55.6428 40.8765 175.5942 97 K 4.4086 8.8185 123.1672 56.5521 32.8005 176.1971 98 A 5.0987 9.2000 125.0040 50.6923 21.9990 175.0744 99 Y 4.9482 8.7559 119.5633 55.7836 42.6777 173.7257 100 L 4.8943 8.4132 129.0324 52.4739 44.4575 173.7841 101 P 4.4904 0.0000 0.0000 61.8541 32.8077 176.9647 102 A 3.9142 8.5773 124.6466 55.4733 18.6798 180.0147 103 S 4.8705 8.2212 112.0739 61.0215 62.2519 176.3405 104 N 4.2430 7.8673 119.6491 56.6880 38.9339 176.5452 105 L 4.0648 7.7585 119.7893 57.6352 42.2712 178.4219 106 L 4.2415 7.9188 118.7152 56.5875 41.8718 178.2774 107 G 3.9492 9.0583 104.9460 44.6687 0.0000 172.7068 108 R 4.3178 7.4343 115.9387 55.6861 31.2922 174.7253 109 S 4.4840 8.5618 115.2790 57.6938 62.8774 174.8398 110 I 3.8941 8.1391 121.0204 61.7668 38.3308 174.9930 111 N 5.0526 8.2583 122.0854 51.0383 41.0185 175.2910 112 V 3.6861 8.6122 120.6533 65.1338 31.6356 177.7617 113 G 4.0425 7.7435 110.1700 43.8514 0.0000 172.3830 114 E 4.5249 7.5348 126.6363 58.8973 30.5133 178.6371 115 D 4.7888 9.2616 129.4478 54.5149 37.4165 173.6971 116 L 4.2815 7.6788 120.6524 56.1136 41.4426 182.3131 117 R 4.6000 8.4304 119.4215 56.7101 30.1148 179.6653 118 R 4.1250 8.0717 119.7523 60.7037 29.5308 182.8887 *119 Y 4.2258 7.8100 113.9272 59.4498 37.2892 180.8644 120 L 4.7853 7.6561 119.9700 53.8254 46.0165 175.7958 121 D 5.0235 9.1651 121.6857 50.5067 43.4023 172.8742 122 V 3.8060 8.0250 116.5503 65.9325 31.7403 176.1045 123 G 3.9201 8.4001 115.6412 45.0957 0.0000 173.5048 124 D 4.5569 7.5481 120.3607 54.5083 42.0949 175.5289 125 Y 5.0585 8.5341 119.5652 57.4901 40.1879 174.5115 126 V 4.8557 8.9267 121.7185 61.2902 35.3355 174.2064 127 I 4.7068 8.5278 128.2630 60.3684 38.6751 174.7645 128 A 4.8722 9.4685 129.9897 51.5426 23.4023 175.3874 129 R 5.0995 8.5638 119.2993 55.1391 32.6766 176.6184 130 I 4.4764 8.4705 126.1729 61.5558 37.3128 177.1709 131 E 4.2800 9.3981 126.9312 58.2913 30.9028 173.1387 132 N 5.0928 7.7712 116.5391 52.3174 42.6554 173.1664 133 F 4.9901 8.4442 124.2916 58.0508 42.5481 172.1463 134 D 3.5782 7.1113 125.0925 52.8677 41.3278 177.0610 135 R 3.7610 8.4850 119.7826 59.6377 29.1353 175.9653 136 S 4.4826 7.6463 110.9875 59.2149 62.9018 178.6885 137 I 4.7029 7.1280 110.2658 59.0906 40.3868 174.8874 138 D 4.5957 8.4065 121.4659 53.1478 41.6802 174.6670 139 P 4.7723 0.0000 0.0000 63.4177 32.4932 174.9575 140 V 4.8968 9.2387 124.3586 61.3215 33.5678 174.4284 141 L 5.2706 8.6895 127.2468 53.2178 44.3106 175.8004 142 S 4.8213 9.3265 118.4211 57.2808 65.6647 175.2722 143 V 4.0908 9.4176 125.4663 61.1544 31.8386 176.1948 144 K 4.0919 7.7528 121.6089 58.6187 31.5625 182.3081 145 G 3.9700 8.0847 109.5540 45.5622 0.0000 173.6122 146 K 3.9949 8.3984 123.2763 56.0189 32.2226 177.6703 147 D 4.3217 8.5112 119.2144 53.9330 36.9590 172.6317 148 L 4.5333 7.9005 118.4905 53.6820 45.0167 175.9340 149 G 3.7149 8.9809 107.5951 44.6376 0.0000 173.4173 150 R 4.2435 8.3230 116.5495 56.7796 29.5637 172.3389 151 V 4.0058 8.4160 123.5081 60.9496 30.2976 175.5756 152 S 4.2787 7.9573 124.5630 60.2411 63.6172 176.8064 153 N 4.5803 7.8904 121.4520 51.3940 39.0626 174.7212 154 G 3.4070 8.8681 107.0697 45.6035 0.0000 172.4301 155 I 4.4674 7.1152 117.3185 58.5839 39.3901 171.7717 156 V 4.6767 7.9773 118.6939 62.8827 33.8309 174.2353 157 I 4.4118 8.7961 129.9588 59.9843 39.1116 174.5078 158 D 5.4058 8.6648 126.7446 52.8894 42.3994 175.6523 159 I 4.9096 8.9700 116.0583 59.0899 42.2963 174.3218 160 M 4.2556 9.0364 122.5324 54.6008 32.3973 176.0195 161 P 4.3204 0.0000 0.0000 65.8636 31.3159 178.6082 162 V 3.4815 7.7702 115.3802 65.9547 31.3608 177.1777 163 K 4.2664 8.2955 116.3337 56.7627 32.2246 178.8011 164 V 3.5629 7.7292 120.1172 65.6529 31.4834 176.1216 165 P 4.2717 0.0000 0.0000 65.2611 30.9065 178.5781 166 R 3.9112 7.5576 117.3726 59.1996 30.0434 178.3674 167 V 3.7444 7.5326 116.9333 65.7675 31.9427 177.7030 168 I 3.8508 7.8638 119.7718 63.4908 37.4209 174.8901 169 G 4.1937 8.0942 113.3375 45.5229 0.0000 173.1357 170 K 3.7593 8.7535 126.0529 56.4452 31.9585 175.5177 171 N 4.1330 8.9051 125.3140 54.8579 34.6383 171.1771 172 K 4.1654 7.6813 114.7353 55.5887 30.0891 179.0607 173 S 4.4614 7.9568 117.1595 61.7176 63.6564 175.2974 174 M 4.0507 7.9376 121.8365 58.2114 31.8226 177.5147 175 Y 4.1097 8.6254 122.5836 61.5169 38.8643 178.9225 176 E 4.0458 8.1723 118.4266 61.5673 29.7424 180.6990 177 T 4.2876 7.7439 114.1576 64.2320 67.6613 176.8093 178 L 4.0979 7.8020 124.6005 60.1863 41.0224 184.5578 179 T 4.2871 7.4053 114.4963 65.2627 68.4206 176.7831 180 S 4.3419 8.0154 119.6669 61.3382 62.9514 176.8167 181 K 4.2623 7.8750 127.5156 57.9777 32.3671 180.6924 182 S 4.3803 8.7449 119.9856 58.9796 60.1823 179.7677 *186 I 4.8972 8.6327 124.8725 61.7115 36.7573 175.4365 187 F 4.9776 9.1814 130.9483 55.8839 41.4897 174.4429 188 V 4.2881 7.6767 125.9426 61.2694 32.2946 174.9071 189 A 4.2945 8.1983 130.3371 50.5262 20.5751 177.6454 190 N 4.4541 8.4810 114.8717 54.6206 38.2672 175.6420 191 N 3.9348 7.8902 116.2845 52.2637 39.7318 174.6019 192 G 4.0761 7.8498 104.4052 47.3031 0.0000 173.0819 193 R 5.2203 7.6815 116.8224 53.8461 34.7791 174.4812 194 I 5.7060 8.6780 116.0218 57.7674 40.6997 174.6258 195 W 4.8869 9.1316 135.0000 57.6853 32.2635 174.8951 196 A 3.6135 7.3414 127.7163 51.8831 21.5858 175.4173 *202 F 4.2968 8.4012 115.5169 57.5969 38.7808 171.7484 203 S 4.2306 8.7372 118.4120 60.4638 61.8429 171.5332 204 E 4.0133 8.5390 128.9064 56.3950 26.6516 173.4868 205 E 4.3913 7.4340 117.4808 55.3135 31.6482 179.8117 206 I 4.1296 7.9840 126.8748 58.3731 36.9152 175.4461 207 L 3.9913 7.8177 126.6054 58.1646 42.2733 177.6433 208 I 3.6916 7.8534 120.3391 64.8284 37.6598 177.9416 209 E 3.9220 7.6307 116.6056 61.0303 29.6507 181.1218 210 A 4.2797 7.7199 120.1159 55.3732 18.6586 179.5012 211 I 3.6938 7.8948 119.2352 64.6025 37.9323 178.9599 212 R 4.0411 8.4515 124.6282 61.7814 29.0297 184.0505 213 K 4.2888 7.9725 123.4106 59.3646 31.7680 181.3447 214 I 4.1540 7.6436 112.0935 63.8523 37.6622 177.6790 215 E 4.0073 7.5987 119.6823 59.1701 29.4353 179.0545 216 N 5.1061 7.8650 115.8967 53.3035 40.0400 176.9761 217 E 4.6661 7.7034 113.2349 56.7832 32.5210 180.0497 218 S 4.2082 8.3324 117.2351 62.5853 62.8600 174.9464 219 H 4.5519 8.2126 113.3127 55.9613 28.4917 174.7171 220 I 4.4497 7.2219 120.6643 60.1040 40.2109 175.6120 221 K 4.1537 8.6722 120.8546 57.5142 33.9388 174.4739 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 7 Q 8.34 4.26 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 8 E 8.43 4.69 0.00 1.83 1.67 0.00 0.00 0.00 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 1.74 0.00 9 I 9.06 4.94 1.91 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 1.16 0.66 0.94 0.00 0.00 10 V 8.26 4.67 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 1.04 0.00 0.00 0.79 0.00 0.00 11 L 8.63 4.41 0.00 1.45 1.59 0.83 0.61 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 12 Q 7.59 4.62 0.00 1.78 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.07 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 13 P 0.00 4.48 0.00 2.17 2.03 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 14 R 7.33 5.41 0.00 1.76 1.85 0.00 3.15 0.00 0.00 3.86 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 15 S 8.16 4.64 0.00 3.88 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 16 I 8.23 4.41 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.73 0.89 0.00 0.00 17 V 9.25 4.81 2.12 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 1.10 0.00 0.00 0.85 0.00 0.00 18 V 8.01 4.82 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 0.62 0.00 0.00 0.93 0.00 0.00 19 P 0.00 4.64 0.00 2.08 2.17 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 20 G 8.79 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 0.00 0.00 0.00 21 E 7.88 4.26 0.00 2.18 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 2.22 2.23 0.00 22 L 8.62 4.11 0.00 1.71 1.46 0.88 0.52 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 23 L 8.62 3.95 0.00 1.23 0.74 1.01 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.13 4.77 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.09 5.21 0.00 1.96 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 2.21 2.20 0.00 26 G 9.00 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 27 E 8.25 4.56 0.00 2.00 1.78 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 2.18 1.89 0.00 28 F 9.09 4.48 0.00 2.88 2.93 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 29 Q 8.43 4.78 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.17 1.90 0.00 30 I 7.32 4.31 1.72 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.16 0.48 0.00 0.00 31 P 0.00 4.44 0.00 2.03 2.02 0.00 3.57 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 32 W 8.68 4.25 0.00 3.27 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 6.99 3.67 0.00 3.50 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 34 P 0.00 3.91 0.00 1.64 1.79 0.00 2.78 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.33 0.00 35 Y 6.75 4.96 0.00 3.08 2.96 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 36 I 7.01 5.23 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 1.24 0.00 0.00 37 L 9.41 4.76 0.00 1.78 1.65 1.01 0.70 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 38 K 8.89 4.53 0.00 1.66 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7.74 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.53 4.52 0.00 2.04 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 2.19 2.37 0.00 115 D 9.26 4.79 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.68 4.28 0.00 1.66 1.48 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.43 4.60 0.00 1.70 1.90 0.00 3.23 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 118 R 8.07 4.12 0.00 1.82 1.89 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 *119 Y 7.81 4.23 0.00 2.33 2.23 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 0.00 120 L 7.66 4.79 0.00 1.59 1.52 0.89 0.96 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 0.00 121 D 9.17 5.02 0.00 2.53 2.52 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 0.00 122 V 8.03 3.81 2.06 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 0.90 0.00 0.00 0.94 0.00 0.00 123 G 8.40 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.55 4.56 0.00 2.72 2.60 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 0.00 125 Y 8.53 5.06 0.00 3.06 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 0.00 126 V 8.93 4.86 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 0.98 0.00 0.00 1.01 0.00 0.00 127 I 8.53 4.71 1.68 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.31 0.66 0.00 0.00 128 A 9.47 4.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.56 5.10 0.00 1.51 1.78 0.00 3.27 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 130 I 8.47 4.48 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.60 1.04 0.00 0.00 131 E 9.40 4.28 0.00 1.70 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 2.22 2.12 0.00 132 N 7.77 5.09 0.00 2.83 2.67 0.00 0.00 6.70 7.71 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 0.00 133 F 8.44 4.99 0.00 2.98 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 0.00 134 D 7.11 3.58 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.48 3.76 0.00 1.85 1.92 0.00 3.25 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 136 S 7.65 4.48 0.00 3.63 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 0.00 137 I 7.13 4.70 1.81 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 1.11 1.09 0.82 0.00 0.00 138 D 8.41 4.60 0.00 2.72 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 0.00 139 P 0.00 4.77 0.00 2.15 2.08 0.00 3.96 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.90 0.00 140 V 9.24 4.90 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 1.02 0.00 0.00 1.07 0.00 0.00 141 L 8.69 5.27 0.00 1.55 1.56 0.94 0.75 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 0.00 142 S 9.33 4.82 0.00 3.81 3.65 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 0.00 143 V 9.42 4.09 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 0.75 0.00 0.00 0.93 0.00 0.00 144 K 7.75 4.09 0.00 1.81 1.76 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.27 7.81 145 G 8.08 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 0.00 0.00 0.00 146 K 8.40 3.99 0.00 1.79 1.61 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.00 7.81 147 D 8.51 4.32 0.00 2.85 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 0.00 148 L 7.90 4.53 0.00 1.73 1.67 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.98 3.71 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 0.00 0.00 0.00 150 R 8.32 4.24 0.00 1.84 1.76 0.00 3.26 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 151 V 8.42 4.01 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 1.28 0.00 0.00 0.98 0.00 0.00 152 S 7.96 4.28 0.00 4.07 3.85 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 0.00 153 N 7.89 4.58 0.00 2.94 3.00 0.00 0.00 6.21 7.00 0.00 0.00 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 G 8.87 3.41 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 0.00 155 I 7.12 4.47 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 1.23 0.81 0.91 0.00 0.00 156 V 7.98 4.68 1.72 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 0.58 0.00 0.00 0.40 0.00 0.00 157 I 8.80 4.41 1.83 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 1.18 0.54 0.88 0.00 0.00 158 D 8.66 5.41 0.00 2.58 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 0.00 159 I 8.97 4.91 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.09 0.89 0.00 0.00 160 M 9.04 4.26 0.00 2.21 2.00 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 2.81 2.48 0.00 161 P 0.00 4.32 0.00 2.23 2.29 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 162 V 7.77 3.48 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 0.82 0.00 0.00 0.80 0.00 0.00 163 K 8.30 4.27 0.00 2.02 1.79 0.00 1.57 0.00 0.00 1.53 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 164 V 7.73 3.56 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 1.05 0.00 0.00 0.95 0.00 0.00 165 P 0.00 4.27 0.00 2.18 2.08 0.00 3.69 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 2.10 2.14 0.00 166 R 7.56 3.91 0.00 1.71 2.06 0.00 3.29 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 167 V 7.53 3.74 2.18 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 0.92 0.00 0.00 0.99 0.00 0.00 168 I 7.86 3.85 1.86 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 1.40 0.37 0.88 0.00 0.00 169 G 8.09 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 0.00 0.00 0.00 170 K 8.75 3.76 0.00 1.78 1.69 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.37 1.04 7.81 171 N 8.91 4.13 0.00 2.90 2.79 0.00 0.00 7.05 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 7.68 4.17 0.00 1.75 1.80 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 0.97 7.81 173 S 7.96 4.46 0.00 4.07 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 M 7.94 4.05 0.00 2.20 2.25 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 2.80 2.53 0.00 175 Y 8.63 4.11 0.00 3.03 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 0.00 176 E 8.17 4.05 0.00 2.05 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 2.24 2.19 0.00 177 T 7.74 4.29 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 1.31 0.00 0.00 178 L 7.80 4.10 0.00 1.71 1.64 0.92 0.54 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 0.00 179 T 7.41 4.29 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 1.09 0.00 0.00 180 S 8.02 4.34 0.00 3.83 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 0.00 181 K 7.88 4.26 0.00 1.85 1.71 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.06 7.81 182 S 8.74 4.38 0.00 3.57 3.09 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 0.00 *186 I 8.63 4.90 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 1.21 1.17 0.91 0.00 0.00 187 F 9.18 4.98 0.00 3.26 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 0.00 188 V 7.68 4.29 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 0.72 0.00 0.00 0.96 0.00 0.00 189 A 8.20 4.29 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 0.00 190 N 8.48 4.45 0.00 2.81 3.00 0.00 0.00 6.77 7.44 0.00 0.00 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 N 7.89 3.93 0.00 2.42 2.64 0.00 0.00 7.09 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 0.00 192 G 7.85 4.08 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 0.00 0.00 0.00 193 R 7.68 5.22 0.00 1.68 1.70 0.00 3.05 0.00 0.00 3.61 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 194 I 8.68 5.71 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.72 0.86 0.00 0.00 195 W 9.13 4.89 0.00 3.44 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 0.00 196 A 7.34 3.61 0.93 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 *202 F 8.40 4.30 0.00 2.34 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 0.00 203 S 8.74 4.23 0.00 3.65 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 0.00 204 E 8.54 4.01 0.00 2.05 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 2.16 1.86 0.00 205 E 7.43 4.39 0.00 1.90 1.77 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 2.22 2.11 0.00 206 I 7.98 4.13 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.09 0.88 0.00 0.00 207 L 7.82 3.99 0.00 1.68 1.59 0.83 0.85 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 0.00 208 I 7.85 3.69 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.88 0.00 0.00 209 E 7.63 3.92 0.00 2.16 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 2.27 2.21 0.00 210 A 7.72 4.28 1.35 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 0.00 0.00 211 I 7.89 3.69 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.30 0.94 0.00 0.00 212 R 8.45 4.04 0.00 1.85 1.92 0.00 3.33 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 213 K 7.97 4.29 0.00 1.86 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 214 I 7.64 4.15 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.90 0.92 0.00 0.00 215 E 7.60 4.01 0.00 2.10 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 2.34 2.36 0.00 216 N 7.87 5.11 0.00 2.70 2.82 0.00 0.00 6.79 7.78 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 0.00 217 E 7.70 4.67 0.00 1.79 1.83 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 2.15 2.11 0.00 218 S 8.33 4.21 0.00 3.95 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 0.00 219 H 8.21 4.55 0.00 3.28 3.41 0.00 5.46 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 0.00 220 I 7.22 4.45 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 0.86 0.00 0.00 221 K 8.67 4.15 0.00 1.91 1.77 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.