NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1566 8.0249 120.7873 60.8079 39.1820 174.6430 3 Q 4.5510 8.4377 124.5719 52.3044 32.0836 173.3561 4 S 4.8736 9.1450 116.0043 56.7381 67.2185 172.9259 5 Q 4.6743 8.6413 120.9174 54.5600 30.4116 175.8805 6 I 4.4567 8.1497 110.6084 60.1068 38.9957 174.6137 7 N 4.8982 7.8360 120.5171 51.1832 40.7855 174.8105 8 R 3.9829 8.6320 123.5594 59.3597 29.3380 178.3434 9 N 4.3639 8.8193 117.3778 55.6949 38.3963 177.3656 10 I 3.6846 7.4958 121.8156 64.5984 37.1776 178.6349 11 R 4.0198 7.9015 118.2384 59.0059 30.0113 178.9484 12 L 4.0156 8.1968 119.2145 57.7497 41.6235 179.1977 13 D 4.3831 8.4375 119.2964 56.9721 40.6765 178.4488 14 L 3.9115 8.0394 120.8155 58.1246 42.0396 178.7000 15 A 4.1450 8.3104 121.0176 55.5848 18.2392 179.3993 16 D 4.2863 8.1575 116.8703 57.3993 40.8846 178.8852 17 A 4.0224 8.0237 121.2737 55.0768 18.3797 179.6479 18 I 3.6702 8.2078 118.8209 64.6359 37.1941 178.6576 19 L 4.0476 8.2010 119.9221 57.6814 41.3923 179.3731 20 L 3.9698 8.0036 120.4236 57.9529 42.0558 178.9400 21 S 4.0251 8.1682 113.1961 61.2385 62.3883 175.8388 22 K 3.7472 8.5286 122.4329 59.6559 31.8615 178.5374 23 A 3.9602 8.0117 120.8234 55.0964 18.0981 179.8095 24 K 3.9811 8.0796 116.0587 58.9928 32.1800 178.8398 25 K 4.1891 7.8313 116.3363 55.5233 32.5494 175.9735 26 D 4.3450 7.6551 117.6706 55.0646 40.0815 173.3825 27 L 4.5360 7.7553 116.3995 53.6945 43.1093 177.2981 28 S 4.6427 8.3945 116.6467 56.7989 66.3382 175.5562 29 F 4.1920 8.3825 121.9944 60.7582 38.8061 177.7172 30 A 4.1151 8.1743 120.2339 55.2231 17.9843 179.3071 31 E 4.0316 8.0462 115.0329 59.3720 29.9140 178.9951 32 I 3.8231 7.7370 119.9569 64.1115 37.4726 177.7507 33 A 4.2586 8.2101 120.9806 52.9204 18.5482 177.0501 34 D 4.4714 7.2317 117.3162 56.0204 41.6261 176.3192 35 G 4.0803 9.0728 114.8411 45.6519 0.0000 174.3526 36 T 4.0398 7.6134 108.5137 62.2732 69.2427 176.1921 37 G 3.9701 8.3823 109.4211 45.1563 0.0000 172.9636 38 L 4.7067 7.5216 118.6392 52.2183 44.5071 176.9136 39 A 4.1816 8.2608 123.1079 52.0965 20.3137 178.6542 40 E 3.9548 8.8283 122.5032 59.3483 29.7880 179.3773 41 A 3.9236 7.9713 120.4996 54.8882 18.4816 179.2934 42 F 3.9289 8.1320 118.8387 61.3114 39.6181 177.5108 43 V 3.6046 8.0267 117.9317 66.3265 31.3529 178.0965 44 T 3.7620 8.1219 115.3738 66.5757 68.1894 176.4606 45 A 3.8434 7.8659 122.4178 54.9000 18.3238 179.5516 46 A 4.2330 7.6420 120.5887 54.8284 18.2290 179.7120 47 L 4.0037 7.7578 116.3095 57.7057 41.7495 178.8423 48 L 4.4992 7.5387 116.1307 54.4473 41.6845 177.4030 49 G 3.9300 8.0356 107.1251 45.5795 0.0000 174.3946 50 Q 4.4997 8.1751 116.3595 55.4314 30.0924 174.8093 51 Q 4.6160 7.4508 115.8606 54.3332 33.9287 172.9684 52 A 5.0177 8.4759 121.4677 50.3678 21.2415 176.1784 53 L 4.6928 8.6972 122.1411 52.7231 43.7052 175.1594 54 P 4.3243 0.0000 0.0000 62.6882 32.2871 177.0799 55 A 4.0027 8.8326 122.4928 55.8861 18.2154 180.1138 56 D 4.2837 8.1183 116.3921 57.3475 40.8310 178.7472 57 A 4.0423 7.9985 120.8057 54.7897 18.5052 179.2523 58 A 3.9505 8.2602 119.5472 55.5813 18.4980 180.1186 59 R 3.8924 8.2326 116.6829 59.1230 30.0790 179.1376 60 L 3.9268 8.0486 120.0969 58.4351 42.2150 179.5913 61 V 3.8117 8.1968 112.6707 64.1829 31.3269 178.8510 62 G 3.6131 8.3521 105.5946 47.6622 0.0000 175.7019 63 A 4.0366 8.1117 123.1324 54.9058 18.1771 179.9359 64 K 4.0802 7.9797 116.2310 58.7458 32.2144 178.5810 65 L 4.4319 7.7879 116.1779 53.3507 42.3097 175.6367 66 D 4.4085 7.6836 116.1926 55.1903 39.9432 173.8133 67 L 4.2505 8.0588 117.1580 53.9052 42.5446 177.6199 68 D 4.7066 8.2968 121.9146 52.8148 41.9295 177.3298 69 E 3.9584 8.5510 118.4514 59.5382 29.2842 179.3213 70 D 4.3594 8.0345 118.5862 57.4091 40.9605 178.7677 71 S 4.1142 8.7796 116.0731 61.6611 62.6149 176.7578 72 I 3.6996 7.7674 121.5522 64.3592 37.1335 177.9299 73 L 4.2555 8.1273 121.1643 58.1821 41.6894 179.0341 74 L 4.0499 7.9391 118.3049 57.6468 41.7661 179.1199 75 L 4.1526 8.0397 118.3235 56.3646 42.4548 177.3537 76 Q 4.8512 7.4255 119.9948 54.0186 27.7589 175.9804 *78 I 4.0794 7.2512 118.8132 60.6021 39.2376 175.6781 79 P 4.7642 0.0000 0.0000 62.0449 33.0541 175.9512 80 L 4.3376 8.2845 123.1586 54.0739 41.7122 176.5344 81 R 4.1605 8.3474 125.3597 55.7594 30.9050 175.1055 82 G 3.0346 8.1785 107.0599 44.8852 0.0000 173.4026 83 C 4.3200 8.1768 122.4578 58.4977 30.7024 174.2716 84 I 4.1042 7.4797 121.8587 60.2975 37.7393 175.0433 85 D 4.4549 8.8453 125.3073 57.1318 41.5969 176.4884 86 D 4.6347 7.3009 115.4730 53.1871 41.4938 173.7834 87 R 4.2347 8.2135 127.0968 56.5793 29.2064 176.9462 88 I 4.0763 7.1754 115.9601 58.2872 39.1121 174.0475 89 P 4.4377 0.0000 0.0000 63.0337 31.7915 176.2704 90 T 4.2802 8.2455 110.2060 62.6458 70.0037 174.9388 91 D 4.5487 7.9424 121.6156 53.1609 42.2649 174.0368 92 P 4.5026 0.0000 0.0000 66.2432 31.5437 179.0171 93 T 3.8380 7.6166 109.3942 65.0290 68.0316 174.2580 *95 Y 4.5839 7.8721 125.1295 57.6532 40.4749 177.2707 96 R 4.0084 8.0076 117.8789 59.3085 30.0543 178.7107 97 F 4.2220 8.0018 116.4102 60.3945 39.1968 176.6186 98 Y 4.1779 7.9129 118.8913 60.2687 38.7566 178.8819 99 E 3.9799 8.0133 122.4538 55.6526 29.7082 178.6689 *101 L 4.2141 7.9481 118.5582 54.5850 43.8218 179.5243 102 Q 3.7997 7.6871 116.5362 58.7019 28.5190 178.7296 103 V 3.6396 7.7142 118.4732 64.9170 32.0160 176.7527 104 Y 4.7879 7.5582 113.0750 57.3693 38.7595 177.5095 105 G 3.6753 8.2370 109.2112 48.2088 0.0000 176.1519 106 T 4.0420 7.8321 111.8265 64.5613 68.9280 176.8882 107 T 3.9172 7.9087 118.2741 66.3872 68.4935 176.4444 108 L 3.9938 8.5056 121.4495 57.5495 41.5782 179.4802 109 K 3.8102 8.1625 119.2856 59.4819 32.2199 178.7618 110 A 4.0182 8.2306 121.2235 55.2443 18.2499 179.5498 111 L 4.0942 8.3364 117.6140 57.3970 41.6950 179.7760 112 V 3.8216 8.2007 119.0421 66.3188 30.9039 177.8453 113 H 4.8863 8.3364 117.5272 58.3687 28.3173 177.4557 114 E 3.9671 8.1343 120.2845 59.2144 29.5823 178.6524 115 K 3.9422 8.2160 117.6567 57.8762 32.1859 177.2600 116 F 4.1045 8.9618 114.9292 59.8266 41.2611 175.4870 117 G 3.9865 7.8336 104.9629 43.1823 0.0000 171.9359 118 D 4.6428 8.4826 119.3435 54.6917 42.2557 175.9274 119 G 4.2104 7.9384 110.3869 45.2000 0.0000 172.5511 120 I 4.8077 8.3206 113.8603 59.2698 41.7393 174.5760 121 I 4.6092 8.1493 123.9070 60.0632 37.9388 175.8998 122 S 4.2742 9.1667 122.9409 58.2549 62.8981 173.7171 123 A 3.8988 8.4545 127.0383 51.8859 19.3681 177.1199 124 I 4.3222 7.6654 116.5084 63.1518 39.4304 176.2234 125 N 4.7973 8.2445 122.2909 51.8808 37.5019 172.8187 126 F 5.4331 8.0115 122.7630 56.4034 42.9908 172.6806 127 K 4.6180 8.1186 123.3554 54.8921 36.1649 174.9296 128 L 5.6063 8.4214 120.7945 52.9794 43.6287 175.1271 129 D 4.8581 8.4062 118.7181 51.7916 43.4544 173.8943 130 V 4.7332 8.3903 119.6115 61.0963 33.6829 174.3893 131 K 4.6469 9.0320 129.4494 54.4028 35.0805 174.4298 132 K 4.8486 8.6494 128.3232 55.5942 33.2226 175.6373 133 V 4.6523 8.6911 126.2340 60.5918 35.4608 174.2879 134 A 4.4512 8.4964 126.0377 51.7622 19.4729 176.7418 135 D 4.5536 8.9631 122.2883 52.4287 41.6702 175.6215 136 P 4.4696 0.0000 0.0000 65.7277 31.1922 176.7276 137 E 4.0827 8.5977 117.9488 55.7762 29.8087 175.8942 138 G 4.0250 8.8392 107.7409 46.6151 0.0000 174.8040 139 G 3.8778 9.6527 109.5382 43.9156 0.0000 171.5606 140 E 5.2135 8.2743 117.1115 54.8254 33.7961 175.3726 141 R 4.8129 9.1440 120.1796 54.4373 34.6437 174.0368 142 A 4.9871 8.6015 123.2552 50.5624 21.0085 176.7020 143 V 4.1807 8.8830 123.1988 61.4214 33.3639 174.4493 144 I 4.7772 8.3665 129.5233 60.1751 38.7828 175.4003 145 T 4.4874 8.7424 124.9457 61.9400 70.3735 173.7502 146 L 4.6092 8.5555 126.9790 53.2782 43.4136 175.8631 147 D 4.6984 8.5114 124.7641 52.1949 42.8871 174.3866 148 G 4.6902 8.4227 111.4127 43.6244 0.0000 170.4273 149 K 4.3296 8.8961 123.8842 56.1889 33.6169 175.3077 150 Y 4.7984 8.5709 128.1590 57.3818 39.7659 174.2511 151 L 4.4948 8.6103 127.2303 52.0325 44.2709 174.3092 152 P 4.5975 0.0000 0.0000 62.7507 32.7427 175.7996 153 T 4.5358 8.6093 118.8849 62.2546 69.8573 174.2318 154 K 4.6617 8.5026 125.3661 53.4856 35.4968 174.4749 155 P 4.4668 0.0000 0.0000 62.7871 31.9968 176.6737 156 F 4.5556 7.8789 113.9163 57.2666 37.9603 174.5285 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 I 8.02 4.16 1.88 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.44 4.55 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.14 4.87 0.00 3.91 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 5 Q 8.64 4.67 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 6 I 8.15 4.46 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 1.30 0.66 0.91 0.00 0.00 7 N 7.84 4.90 0.00 2.76 2.67 0.00 0.00 6.92 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 8 R 8.63 3.98 0.00 2.06 2.26 0.00 3.14 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.82 4.36 0.00 2.83 2.91 0.00 0.00 6.86 7.89 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 10 I 7.50 3.68 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 1.52 1.02 0.91 0.00 0.00 11 R 7.90 4.02 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.49 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.20 4.02 0.00 1.68 1.71 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.44 4.38 0.00 2.82 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 14 L 8.04 3.91 0.00 1.77 1.85 0.92 1.11 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 15 A 8.31 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.16 4.29 0.00 2.87 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 17 A 8.02 4.02 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 18 I 8.21 3.67 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.95 0.00 0.00 19 L 8.20 4.05 0.00 1.86 1.74 0.99 0.80 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 20 L 8.00 3.97 0.00 1.77 1.79 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.17 4.03 0.00 3.93 3.94 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 0.00 0.00 0.00 22 K 8.53 3.75 0.00 1.76 1.94 0.00 1.09 0.00 0.00 1.18 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.21 7.81 23 A 8.01 3.96 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 24 K 8.08 3.98 0.00 1.86 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.59 7.81 25 K 7.83 4.19 0.00 1.71 1.82 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.50 7.81 26 D 7.66 4.35 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 4.54 0.00 1.73 1.43 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.39 4.64 0.00 4.06 3.94 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 0.00 0.00 0.00 29 F 8.38 4.19 0.00 3.23 3.10 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 30 A 8.17 4.12 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 31 E 8.05 4.03 0.00 2.15 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 0.00 2.53 2.32 0.00 32 I 7.74 3.82 2.07 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.58 0.96 0.00 0.00 33 A 8.21 4.26 1.45 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 0.00 0.00 34 D 7.23 4.47 0.00 2.79 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 35 G 9.07 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 36 T 7.61 4.04 4.29 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 1.29 0.00 0.00 37 G 8.38 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 38 L 7.52 4.71 0.00 1.72 1.64 1.02 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.26 4.18 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 40 E 8.83 3.95 0.00 2.09 1.99 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 2.41 2.62 0.00 41 A 7.97 3.92 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 42 F 8.13 3.93 0.00 3.19 3.20 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 43 V 8.03 3.60 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 1.04 0.00 0.00 1.08 0.00 0.00 44 T 8.12 3.76 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 0.34 0.00 0.00 45 A 7.87 3.84 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 46 A 7.64 4.23 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 47 L 7.76 4.00 0.00 1.85 1.85 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.54 4.50 0.00 1.65 1.63 0.73 1.00 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 49 G 8.04 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 0.00 0.00 0.00 50 Q 8.18 4.50 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 Q 7.45 4.62 0.00 1.37 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.02 1.44 0.00 52 A 8.48 5.02 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 53 L 8.70 4.69 0.00 1.64 1.65 0.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.32 0.00 2.20 2.01 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 55 A 8.83 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.12 4.28 0.00 2.71 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 57 A 8.00 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.26 3.95 1.44 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 0.00 0.00 59 R 8.23 3.89 0.00 2.10 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 60 L 8.05 3.93 0.00 1.85 1.81 0.93 0.82 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 61 V 8.20 3.81 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 0.82 0.00 0.00 1.02 0.00 0.00 62 G 8.35 3.61 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 0.00 63 A 8.11 4.04 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 0.00 0.00 0.00 0.00 0.00 64 K 7.98 4.08 0.00 1.88 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.69 7.81 65 L 7.79 4.43 0.00 1.72 1.68 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.68 4.41 0.00 2.87 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 67 L 8.06 4.25 0.00 1.66 1.58 0.93 0.89 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 68 D 8.30 4.71 0.00 2.95 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 69 E 8.55 3.96 0.00 2.00 2.04 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 2.40 2.34 0.00 70 D 8.03 4.36 0.00 2.76 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 71 S 8.78 4.11 0.00 4.02 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 72 I 7.77 3.70 2.01 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 1.41 0.58 0.97 0.00 0.00 73 L 8.13 4.26 0.00 1.85 1.86 0.93 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 74 L 7.94 4.05 0.00 1.84 1.72 0.92 1.26 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 75 L 8.04 4.15 0.00 1.90 1.72 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.43 4.85 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.40 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 *78 I 7.25 4.08 1.88 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 1.42 0.75 0.92 0.00 0.00 79 P 0.00 4.76 0.00 2.11 2.03 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 80 L 8.28 4.34 0.00 1.81 1.65 0.91 0.93 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 81 R 8.35 4.16 0.00 1.82 1.88 0.00 3.24 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 82 G 8.18 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 0.00 0.00 0.00 83 C 8.18 4.32 0.00 3.05 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 84 I 7.48 4.10 1.85 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 1.29 0.54 0.91 0.00 0.00 85 D 8.85 4.45 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.30 4.63 0.00 2.58 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 87 R 8.21 4.23 0.00 1.99 2.05 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.18 4.08 1.74 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.60 0.00 0.00 89 P 0.00 4.44 0.00 2.17 2.04 0.00 3.33 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 90 T 8.25 4.28 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 1.19 0.00 0.00 91 D 7.94 4.55 0.00 2.68 2.67 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 92 P 0.00 4.50 0.00 2.26 2.12 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 93 T 7.62 3.84 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 *95 Y 7.87 4.58 0.00 3.23 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 96 R 8.01 4.01 0.00 1.54 1.75 0.00 3.39 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.78 0.00 97 F 8.00 4.22 0.00 3.07 3.12 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 0.00 0.00 0.00 98 Y 7.91 4.18 0.00 2.89 2.58 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 99 E 8.01 3.98 0.00 1.94 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 2.29 2.39 0.00 *101 L 7.95 4.21 0.00 1.60 1.59 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.69 3.80 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 1.67 2.31 0.00 103 V 7.71 3.64 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 0.11 0.00 0.00 0.85 0.00 0.00 104 Y 7.56 4.79 0.00 3.00 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 0.00 105 G 8.24 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 0.00 0.00 0.00 106 T 7.83 4.04 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 0.00 107 T 7.91 3.92 4.62 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 1.32 0.00 0.00 108 L 8.51 3.99 0.00 1.83 1.72 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.16 3.81 0.00 1.83 1.97 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.43 7.81 110 A 8.23 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.34 4.09 0.00 1.72 1.75 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.20 3.82 2.21 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 1.04 0.00 0.00 0.98 0.00 0.00 113 H 8.34 4.89 0.00 3.25 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.13 3.97 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 115 K 8.22 3.94 0.00 1.56 1.12 0.00 1.69 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.51 7.81 116 F 8.96 4.10 0.00 2.51 1.45 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 0.00 117 G 7.83 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 0.00 0.00 0.00 118 D 8.48 4.64 0.00 2.78 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 0.00 119 G 7.94 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 0.00 0.00 0.00 0.00 120 I 8.32 4.81 1.86 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 1.20 1.18 0.93 0.00 0.00 121 I 8.15 4.61 1.82 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.68 0.94 0.00 0.00 122 S 9.17 4.27 0.00 3.89 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 0.00 123 A 8.45 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.67 4.32 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 1.26 0.97 0.93 0.00 0.00 125 N 8.24 4.80 0.00 2.78 2.74 0.00 0.00 6.69 8.17 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 0.00 126 F 8.01 5.43 0.00 3.15 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.12 4.62 0.00 1.62 1.67 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.14 1.16 7.81 128 L 8.42 5.61 0.00 1.75 1.42 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.41 4.86 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.39 4.73 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 0.84 0.00 0.00 0.90 0.00 0.00 131 K 9.03 4.65 0.00 1.83 1.61 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.34 7.81 132 K 8.65 4.85 0.00 1.83 1.71 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.45 7.81 133 V 8.69 4.65 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 0.99 0.00 0.00 0.94 0.00 0.00 134 A 8.50 4.45 1.23 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 0.00 0.00 135 D 8.96 4.55 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.47 0.00 2.21 2.19 0.00 3.81 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 1.99 1.97 0.00 137 E 8.60 4.08 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 138 G 8.84 4.03 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 0.00 0.00 0.00 139 G 9.65 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 0.00 140 E 8.27 5.21 0.00 1.81 1.81 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 2.21 2.33 0.00 141 R 9.14 4.81 0.00 1.69 1.77 0.00 3.26 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 142 A 8.60 4.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 4.18 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 1.06 0.00 0.00 0.94 0.00 0.00 144 I 8.37 4.78 2.01 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 1.42 0.82 0.99 0.00 0.00 145 T 8.74 4.49 4.43 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 1.17 0.00 0.00 146 L 8.56 4.61 0.00 1.63 1.93 1.01 1.19 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 0.00 147 D 8.51 4.70 0.00 2.65 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.42 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.90 4.33 0.00 1.92 1.70 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.44 7.81 150 Y 8.57 4.80 0.00 2.52 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 0.00 151 L 8.61 4.49 0.00 1.44 1.39 0.87 0.79 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 0.00 152 P 0.00 4.60 0.00 2.03 1.88 0.00 3.44 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 153 T 8.61 4.54 4.35 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 1.26 0.00 0.00 154 K 8.50 4.66 0.00 1.75 1.73 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.44 7.81 155 P 0.00 4.47 0.00 2.02 1.92 0.00 3.65 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 2.03 2.07 0.00 156 F 7.88 4.56 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.