NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 H 4.7433 8.4449 120.3964 57.3362 31.2296 172.4140 16 M 2.9290 8.4977 122.7001 55.5285 29.2786 177.6380 17 S 4.2278 8.9002 114.7316 61.7255 63.6546 174.6935 18 G 3.8775 8.1093 107.3954 48.0131 0.0000 175.2584 19 L 4.1660 8.0359 123.1351 57.4671 42.2564 178.6618 20 K 4.1295 8.2690 119.4575 59.3051 31.8488 178.5779 21 K 4.2311 8.0782 117.5330 58.4967 32.0947 178.5392 22 F 4.3699 8.8269 117.4026 58.3956 40.1385 175.4213 23 F 4.9278 8.0815 116.9938 55.1788 38.8611 173.8209 24 P 4.1773 0.0000 0.0000 64.1490 31.6030 177.3092 25 Y 4.9086 7.5154 114.0061 57.5203 39.9675 175.2346 26 S 4.7592 8.0283 115.8113 57.0640 66.5985 173.8598 27 T 4.2975 8.6674 114.5056 62.7175 69.7057 174.5188 28 N 5.3552 7.8877 116.9350 51.3149 42.5566 174.0821 29 V 4.5661 8.7559 114.1295 59.2978 35.8487 175.1639 30 L 4.6375 8.8362 122.2363 55.1485 43.6038 176.8583 31 K 4.7351 8.9602 118.5150 55.4685 33.9391 176.4196 32 G 3.8414 9.1890 119.7710 46.3479 0.0000 173.4258 33 A 4.4588 8.7220 127.4573 51.8507 20.6795 178.4921 34 A 3.9520 7.7962 113.8339 53.1783 17.2042 178.4516 35 A 4.1986 9.9849 120.5641 52.6101 16.7264 179.1338 36 D 4.9455 7.8193 114.5640 53.7606 40.1989 175.5095 37 I 3.9663 7.8129 121.2042 61.3716 37.9703 174.9916 38 A 4.8605 8.2928 128.2423 50.3624 20.5943 177.7375 39 L 3.9191 8.4234 121.5081 57.3537 41.9342 177.9136 40 P 4.2265 0.0000 0.0000 65.3797 31.4339 177.6673 41 S 4.2403 8.0017 112.3628 61.0563 63.0194 175.5284 42 L 4.3969 8.1566 120.1251 54.6322 41.1264 176.2872 43 A 4.0070 7.5454 122.9103 53.3568 18.5851 179.1559 44 G 3.9198 9.0327 109.5758 45.8059 0.0000 173.7030 45 K 4.5756 7.5074 119.7116 55.4452 35.0106 175.3237 46 T 4.8293 8.1647 116.8181 62.4016 70.4286 174.3645 47 V 4.7687 8.6568 126.0344 61.0757 34.7228 173.9846 48 F 5.2321 8.9042 126.7252 55.9791 41.0778 174.8300 49 F 4.5945 9.3629 124.2972 56.6948 40.2642 174.4685 50 Y 5.1987 8.9620 127.1213 56.0349 40.2102 174.5190 51 F 4.7947 9.3741 127.7431 56.0802 40.2235 175.2687 52 S 4.4909 7.9699 116.9790 57.5278 66.1769 171.9500 53 A 4.4181 7.5357 121.4981 50.6176 21.4419 177.7976 54 S 3.4250 8.4522 115.0285 60.2523 63.2343 175.3773 55 W 4.5276 7.4104 116.6107 56.4709 28.0941 175.7261 56 C 4.7009 7.4413 120.1165 57.1449 32.4623 172.2205 57 P 4.2999 0.0000 0.0000 65.3135 31.1351 176.8459 58 P 4.3236 0.0000 0.0000 66.0192 31.0737 178.2176 59 C 4.3259 8.0165 115.9988 62.8519 27.9871 175.7260 60 R 4.1482 8.1677 118.8907 59.4715 29.6594 177.9611 61 A 4.2392 8.0838 119.5809 54.2779 18.8398 178.7447 62 F 4.8673 8.2752 120.6014 60.2779 39.6568 177.5678 63 T 3.8615 8.5353 116.3096 66.4054 68.5244 174.5448 64 P 4.4104 0.0000 0.0000 65.8733 31.0152 178.4424 65 Q 3.9647 8.0407 118.0430 58.7483 28.5489 178.2572 66 L 3.7437 7.1230 120.8534 57.9558 42.0872 178.8643 67 I 3.9476 8.2344 120.3891 64.4619 36.8583 178.1786 68 D 4.4024 8.1274 119.4310 57.3864 40.5752 178.5132 69 F 4.0840 8.5870 121.2808 61.4267 39.3211 176.4681 70 Y 4.6407 8.8871 119.5059 60.9979 38.6213 178.1044 71 K 3.8092 8.3881 118.0153 58.5865 32.2326 178.1258 72 A 4.4006 7.5343 118.8247 52.4575 20.0529 176.9428 73 H 4.4839 7.7472 111.0468 53.9831 32.1642 175.1796 74 A 2.5800 7.7629 122.8736 54.6114 17.9881 179.6161 75 E 3.6768 7.5216 116.4385 59.8764 29.6085 178.5156 76 K 3.8015 7.7453 118.2374 59.6711 32.2935 177.8644 77 K 4.1410 7.9344 119.2741 56.4020 33.0350 177.7533 78 N 4.4113 7.9836 109.7521 52.9612 35.7302 172.7562 79 F 5.3712 7.3126 119.8144 56.2367 41.6587 172.5626 80 E 5.3165 9.7333 119.1741 54.6350 33.7415 174.0404 81 V 4.8501 8.6238 121.6456 61.1524 35.1948 173.6280 82 M 4.9962 8.8626 126.8865 53.4227 35.4091 173.9418 83 L 4.5905 9.2887 129.2568 55.0192 43.8201 175.4270 84 I 4.6353 8.6057 127.7142 59.5416 39.2941 174.4016 85 S 5.0152 8.8732 122.6382 57.3569 63.1820 173.5403 86 W 5.2053 8.9590 126.6498 56.8025 29.5649 176.4896 87 D 4.8505 8.9086 120.8790 54.7922 40.6823 176.6036 88 E 4.5200 9.0003 118.8863 57.5252 30.6003 176.6945 89 S 4.6761 7.5288 113.4160 56.2134 66.8404 174.9174 90 A 2.9892 8.2972 124.5797 55.0051 18.1984 180.0744 91 E 3.8972 7.9545 116.5722 59.6415 29.6106 178.9400 92 D 4.3886 7.9256 118.7895 57.3482 40.9348 178.5971 93 F 4.2771 8.2468 121.2551 61.2355 39.4747 176.6848 94 K 3.8846 8.3194 119.2060 60.1417 31.7523 178.4201 95 D 4.3848 7.8521 117.1512 57.1321 40.8596 177.9876 96 Y 4.2794 8.2756 120.5149 61.0202 38.8736 177.4800 97 Y 3.8782 8.3103 120.4413 60.1978 38.5407 177.1866 98 A 3.7560 7.4115 120.7770 54.5673 18.4157 178.7721 99 K 3.9754 7.1790 114.4722 56.2800 32.8419 176.6201 100 M 3.7954 6.8424 119.8339 52.8262 33.5132 174.3319 101 P 4.2754 0.0000 0.0000 64.0347 32.8485 177.2671 102 W 4.5125 6.3000 117.3854 56.2532 29.3609 174.9375 103 L 5.1213 8.8245 118.0491 54.4598 43.8805 175.5504 104 A 5.0857 8.3045 120.6837 50.3360 22.8540 175.4904 105 L 4.4245 8.5643 124.5761 54.0811 43.0148 175.2438 106 P 4.1897 0.0000 0.0000 62.9256 32.0004 176.5664 107 F 3.4935 8.3446 125.4642 61.0217 39.1549 176.0959 108 E 3.8544 8.1350 116.5284 59.2782 29.9508 177.7029 109 D 4.5453 7.7095 120.9499 53.1587 37.6279 176.7486 110 R 3.7690 7.3575 122.7644 59.0413 30.6808 178.8620 111 K 3.9702 7.8444 118.0348 59.3440 31.9221 179.3772 112 G 3.9186 8.8273 106.4714 48.1412 0.0000 175.4626 113 M 4.2355 8.0511 120.4267 58.5567 32.2666 178.2380 114 E 4.1347 8.7131 119.2086 59.0970 29.4829 179.1947 115 F 4.1742 8.4263 120.9156 61.4928 39.5252 177.3479 116 L 4.1175 8.6051 118.8681 57.9869 41.3151 179.7491 117 T 4.0801 8.4193 115.9292 67.0028 68.4621 176.9044 118 T 3.9148 8.2143 117.8309 66.4931 68.2526 176.9193 119 G 3.1823 7.8051 108.9525 48.4646 0.0000 174.3198 120 F 4.3088 8.2341 115.9194 56.3877 39.3334 174.9747 121 D 4.2227 7.7690 119.4775 54.9355 39.8584 174.3541 122 V 3.5530 7.8741 118.0238 62.8641 31.3585 175.3670 123 K 4.5599 8.2395 126.4162 56.1971 32.9296 176.0219 124 S 4.7685 7.0811 111.6633 57.9021 64.8161 174.8854 125 I 4.4285 7.8628 113.7361 57.7856 40.2300 173.3199 126 P 4.5805 0.0000 0.0000 63.2341 32.4706 175.6988 127 T 4.5715 8.3965 117.0012 61.7669 72.5989 172.5406 128 L 5.3324 8.6217 127.6270 53.2743 44.6978 175.4206 129 V 4.4632 8.9261 126.1940 61.0613 34.6015 174.1839 130 G 3.9031 9.0484 115.4566 44.9363 0.0000 172.9446 131 V 5.0696 8.5038 117.3180 59.1316 36.4204 174.6409 132 E 4.3073 9.1361 125.5850 55.9436 29.6758 176.8272 133 A 3.9257 8.7416 130.5822 55.6152 18.1159 178.5989 134 D 4.4495 8.3985 114.9848 56.9141 41.1431 178.0813 135 S 4.4777 8.0678 110.7994 57.4519 64.1497 174.8178 136 G 4.0839 8.2989 108.7553 46.3587 0.0000 173.2717 137 N 4.7605 7.9702 117.0771 52.0567 39.6158 174.4465 138 I 4.3734 8.1838 122.5848 61.6776 36.9721 175.9679 139 I 4.0457 8.8986 128.9424 63.9573 38.3436 176.0319 140 T 5.0469 7.7556 115.1016 60.5311 70.9182 173.8803 141 T 4.6324 9.3831 116.9352 61.4065 69.3480 174.2831 142 Q 4.4588 8.0983 117.6950 55.7666 29.2177 177.1284 143 A 3.5261 8.0605 122.7064 55.2052 16.6213 180.3355 144 R 3.2901 7.5387 116.9548 59.7289 30.2156 178.7286 145 T 3.7314 7.3595 114.8952 66.9219 68.4803 176.5535 146 M 3.6231 7.5447 120.1627 57.4287 31.4155 178.8984 147 V 3.0804 6.9289 118.5281 65.5989 31.6151 177.9705 148 V 3.7933 6.8431 115.5147 66.0003 31.6301 178.0806 149 K 4.1828 7.7145 116.2726 57.8726 33.3087 176.6703 150 D 5.0369 8.2640 118.3676 51.8981 41.1399 174.1879 151 P 4.6628 0.0000 0.0000 65.8675 32.0268 178.3847 152 E 4.0009 8.3096 114.1926 57.0067 30.1522 175.9806 153 A 4.0186 8.9040 124.1444 54.0009 16.0372 179.6389 154 K 4.2088 10.1919 125.5146 58.5850 32.4723 180.2271 155 D 4.8035 8.8203 117.8526 53.7804 40.9794 176.4045 156 F 2.4141 7.9115 121.4038 57.9788 39.4859 172.6579 157 P 2.9700 0.0000 0.0000 62.3743 31.9702 175.9574 158 W 3.6787 7.2084 114.2684 56.7483 27.0515 173.8891 159 P 4.4891 0.0000 0.0000 62.7999 31.6406 177.6252 160 N 4.9742 8.5406 117.4671 53.6459 38.1725 174.5914 161 V 4.0420 8.0355 112.3020 64.0655 33.9833 176.1811 *162 E 4.1515 8.0590 118.0789 56.1016 30.2635 177.4054 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 15 H 8.44 4.74 0.00 3.12 3.28 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 M 8.50 2.93 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 1.90 0.00 17 S 8.90 4.23 0.00 3.90 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 18 G 8.11 3.88 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 0.00 0.00 0.00 19 L 8.04 4.17 0.00 2.03 1.77 0.73 0.76 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 20 K 8.27 4.13 0.00 2.14 2.04 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.55 7.81 21 K 8.08 4.23 0.00 1.99 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.67 7.81 22 F 8.83 4.37 0.00 2.94 2.72 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 23 F 8.08 4.93 0.00 3.18 3.14 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 24 P 0.00 4.18 0.00 0.83 1.33 0.00 3.36 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.44 0.00 25 Y 7.52 4.91 0.00 3.29 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 26 S 8.03 4.76 0.00 3.98 3.79 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 27 T 8.67 4.30 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 1.23 0.00 0.00 28 N 7.89 5.36 0.00 2.58 2.81 0.00 0.00 6.70 7.68 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 29 V 8.76 4.57 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 0.69 0.00 0.00 0.90 0.00 0.00 30 L 8.84 4.64 0.00 1.73 1.84 1.17 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.96 4.74 0.00 1.94 1.71 0.00 1.80 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.52 7.81 32 G 9.19 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.72 4.46 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 3.95 1.20 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 0.00 0.00 35 A 9.98 4.20 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 4.95 0.00 2.74 2.72 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 37 I 7.81 3.97 2.00 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 1.36 1.04 0.92 0.00 0.00 38 A 8.29 4.86 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 39 L 8.42 3.92 0.00 1.65 1.66 0.72 0.33 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 40 P 0.00 4.23 0.00 2.05 2.16 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 41 S 8.00 4.24 0.00 4.05 4.14 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 42 L 8.16 4.40 0.00 1.73 1.72 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.55 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.03 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 45 K 7.51 4.58 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.71 1.62 7.81 46 T 8.16 4.83 4.47 0.00 0.00 0.00 0.00 0.00 0.00 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 47 V 8.66 4.77 2.05 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 0.74 0.00 0.00 0.92 0.00 0.00 48 F 8.90 5.23 0.00 3.02 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 49 F 9.36 4.59 0.00 2.75 2.77 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 50 Y 8.96 5.20 0.00 2.62 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 51 F 9.37 4.79 0.00 2.68 2.44 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 0.00 0.00 0.00 0.00 52 S 7.97 4.49 0.00 2.72 3.39 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 53 A 7.54 4.42 0.25 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 0.00 0.00 54 S 8.45 3.43 0.00 3.83 3.58 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 55 W 7.41 4.53 0.00 3.50 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 56 C 7.44 4.70 0.00 2.37 2.66 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 57 P 0.00 4.30 0.00 2.25 2.14 0.00 3.75 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 58 P 0.00 4.32 0.00 2.26 2.32 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 59 C 8.02 4.33 0.00 3.19 3.15 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 60 R 8.17 4.15 0.00 2.02 2.16 0.00 3.31 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 61 A 8.08 4.24 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 4.87 0.00 3.14 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 63 T 8.54 3.86 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 64 P 0.00 4.41 0.00 2.25 2.29 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 65 Q 8.04 3.96 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 66 L 7.12 3.74 0.00 0.46 1.35 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.23 3.95 1.98 0.00 0.00 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 0.93 0.89 0.83 0.00 0.00 68 D 8.13 4.40 0.00 2.95 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 69 F 8.59 4.08 0.00 3.31 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.89 4.64 0.00 3.61 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 3.81 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.77 7.81 72 A 7.53 4.40 1.07 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 73 H 7.75 4.48 0.00 2.95 2.91 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.76 2.58 0.64 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 0.00 0.00 75 E 7.52 3.68 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 76 K 7.75 3.80 0.00 1.59 1.56 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.45 7.81 77 K 7.93 4.14 0.00 1.45 1.24 0.00 1.60 0.00 0.00 1.54 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.38 1.24 7.81 78 N 7.98 4.41 0.00 2.96 3.27 0.00 0.00 6.68 8.42 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 79 F 7.31 5.37 0.00 3.35 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.73 5.32 0.00 2.24 1.91 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 2.30 2.40 0.00 81 V 8.62 4.85 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 0.88 0.00 0.00 82 M 8.86 5.00 0.00 1.67 1.65 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 83 L 9.29 4.59 0.00 2.09 1.72 1.07 1.11 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 84 I 8.61 4.64 0.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.86 0.89 0.00 0.00 85 S 8.87 5.02 0.00 4.42 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.96 5.21 0.00 3.10 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.91 4.85 0.00 2.99 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 88 E 9.00 4.52 0.00 2.13 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 0.00 2.44 2.38 0.00 89 S 7.53 4.68 0.00 4.17 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 90 A 8.30 2.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 3.90 0.00 2.07 2.02 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 2.41 2.47 0.00 92 D 7.93 4.39 0.00 2.98 2.77 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 93 F 8.25 4.28 0.00 2.79 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 94 K 8.32 3.88 0.00 2.11 2.07 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.59 7.81 95 D 7.85 4.38 0.00 2.77 2.73 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 0.00 0.00 0.00 96 Y 8.28 4.28 0.00 3.06 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 97 Y 8.31 3.88 0.00 2.19 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.41 3.76 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.18 3.98 0.00 1.44 1.66 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.46 7.81 100 M 6.84 3.80 0.00 0.51 1.64 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 101 P 0.00 4.28 0.00 2.25 1.98 0.00 2.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.64 0.00 102 W 6.30 4.51 0.00 3.44 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.82 5.12 0.00 1.79 1.77 0.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.30 5.09 0.43 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 0.00 105 L 8.56 4.42 0.00 1.87 1.70 1.20 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.19 0.00 2.21 2.00 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 107 F 8.34 3.49 0.00 1.51 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 0.00 108 E 8.13 3.85 0.00 2.07 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 2.27 2.28 0.00 109 D 7.71 4.55 0.00 2.83 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 0.00 110 R 7.36 3.77 0.00 1.68 1.81 0.00 2.73 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 111 K 7.84 3.97 0.00 1.22 0.99 0.00 1.44 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.28 1.29 7.81 112 G 8.83 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 0.00 113 M 8.05 4.24 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 3.03 0.00 114 E 8.71 4.13 0.00 2.26 2.05 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 2.32 2.44 0.00 115 F 8.43 4.17 0.00 3.42 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.61 4.12 0.00 2.04 2.14 1.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.42 4.08 4.60 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 1.51 0.00 0.00 118 T 8.21 3.91 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 0.00 119 G 7.81 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 0.00 0.00 0.00 120 F 8.23 4.31 0.00 2.94 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 0.00 121 D 7.77 4.22 0.00 2.69 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 0.00 122 V 7.87 3.55 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 0.35 0.00 0.00 -0.28 0.00 0.00 123 K 8.24 4.56 0.00 1.80 1.88 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.59 7.81 124 S 7.08 4.77 0.00 3.96 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 0.00 125 I 7.86 4.43 1.51 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 -0.41 0.00 0.00 126 P 0.00 4.58 0.00 2.20 2.19 0.00 3.64 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 1.85 2.00 0.00 127 T 8.40 4.57 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 1.00 0.00 0.00 128 L 8.62 5.33 0.00 1.60 1.42 0.77 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.93 4.46 1.65 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 1.18 0.00 0.00 0.84 0.00 0.00 130 G 9.05 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 0.00 0.00 0.00 131 V 8.50 5.07 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 1.03 0.00 0.00 1.05 0.00 0.00 132 E 9.14 4.31 0.00 2.03 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 2.46 2.27 0.00 133 A 8.74 3.93 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 0.00 134 D 8.40 4.45 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.07 4.48 0.00 4.04 4.06 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 0.00 136 G 8.30 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 0.00 137 N 7.97 4.76 0.00 2.89 2.76 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 0.00 138 I 8.18 4.37 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.58 1.05 0.00 0.00 139 I 8.90 4.05 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.14 0.81 0.00 0.00 140 T 7.76 5.05 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 141 T 9.38 4.63 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 1.25 0.00 0.00 142 Q 8.10 4.46 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 143 A 8.06 3.53 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.54 3.29 0.00 1.50 1.58 0.00 2.81 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 145 T 7.36 3.73 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 146 M 7.54 3.62 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.39 0.00 147 V 6.93 3.08 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 0.64 0.00 0.00 0.19 0.00 0.00 148 V 6.84 3.79 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 0.90 0.00 0.00 1.12 0.00 0.00 149 K 7.71 4.18 0.00 1.66 1.81 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.43 1.48 7.81 150 D 8.26 5.04 0.00 2.74 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 0.00 151 P 0.00 4.66 0.00 2.17 2.23 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.30 0.00 152 E 8.31 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 153 A 8.90 4.02 1.05 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 0.00 154 K 10.19 4.21 0.00 1.64 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.28 7.81 155 D 8.82 4.80 0.00 3.12 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 0.00 156 F 7.91 2.41 0.00 2.61 2.73 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 0.00 0.00 0.00 157 P 0.00 2.97 0.00 1.51 0.56 0.00 3.56 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.33 0.00 158 W 7.21 3.68 0.00 3.48 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 0.00 159 P 0.00 4.49 0.00 2.04 1.99 0.00 3.73 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 160 N 8.54 4.97 0.00 2.80 2.86 0.00 0.00 5.94 7.68 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 0.00 161 V 8.04 4.04 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 0.75 0.00 0.00 1.08 0.00 0.00 *162 E 8.06 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.