NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2689 8.1849 120.6358 53.6057 43.2582 176.3627 8 P 4.1431 0.0000 0.0000 61.1945 32.0217 172.7337 9 P 4.2491 0.0000 0.0000 65.7948 32.1937 176.4989 10 G 3.6186 9.1362 111.7086 44.4016 0.0000 172.0307 11 W 5.2592 7.6918 119.8652 55.4601 30.3996 175.7716 12 E 4.9815 9.3745 121.8377 54.1514 32.8312 175.1987 13 K 4.2993 8.8408 120.9022 56.5958 33.0977 175.9160 14 A 4.5860 8.1697 124.9528 50.1885 23.2121 173.9194 15 M 4.7868 8.1526 118.4114 53.6700 34.1270 175.4061 16 S 4.4095 9.3202 122.1691 58.4993 63.0386 174.9091 17 R 3.9422 8.9338 128.0793 59.6630 30.3944 177.8106 18 S 4.3240 8.3577 112.8525 61.2899 62.9524 175.2008 19 S 4.4934 8.0038 111.8351 57.3501 64.1887 175.1426 20 G 3.9774 8.3252 107.8465 46.1031 0.0000 173.2423 21 R 4.5673 8.1469 119.1644 54.8810 31.6995 176.7127 22 V 4.3999 8.5163 116.4487 61.9764 32.7195 174.8661 23 Y 5.0024 8.1446 120.6187 55.9512 42.2445 172.7924 24 Y 5.1584 9.4723 116.0728 56.4043 41.4554 174.9245 25 F 5.6463 9.4636 125.7469 56.4076 43.1772 173.2094 26 N 4.4731 7.6590 124.1343 51.5765 40.1593 174.5237 27 H 4.0130 8.3072 122.2986 57.1872 28.7998 176.6423 28 I 3.9643 7.8094 120.6376 63.1632 37.7437 176.7368 29 T 4.1209 7.4732 108.0805 60.7216 69.8479 175.1421 30 N 3.9762 7.9840 118.7294 53.8720 36.9103 173.6518 31 A 4.5636 7.3352 120.5925 52.0447 19.6753 177.6364 32 S 5.6487 8.5543 113.9175 57.0714 66.3767 173.1090 33 Q 4.5539 9.2487 118.9541 55.0056 31.7049 175.6918 34 W 4.5653 8.8798 120.5005 59.8637 29.5097 177.4205 35 E 4.3003 8.1905 116.4872 55.5526 29.6532 176.5203 36 R 2.5100 8.1907 123.2016 54.6409 30.5466 174.5216 37 P 3.4856 0.0000 0.0000 64.8468 32.4909 176.5565 38 S 3.1011 7.8398 115.2455 58.5145 65.3281 174.6914 *51 E 4.0703 8.9179 123.3284 54.8056 29.5347 172.7968 52 P 4.4979 0.0000 0.0000 62.5006 32.2963 176.4035 53 A 4.2246 8.6740 122.1149 54.6394 18.6672 177.7962 54 R 5.2350 7.7916 111.9732 54.6401 33.9012 175.5802 55 V 4.3761 8.2075 113.9778 59.4491 36.5215 174.2998 56 R 4.7894 8.7275 122.4048 54.8669 32.9318 174.2912 57 C 5.2376 8.5148 121.5519 58.5791 33.3687 173.3326 58 S 5.6022 8.4068 117.5106 57.9151 66.3356 172.2811 59 H 5.3946 9.0708 114.1763 55.3350 32.2057 172.6291 60 L 4.5017 8.8786 121.2652 53.2384 44.9537 174.5859 61 L 4.8795 8.6587 128.8670 53.4498 44.3131 174.9220 62 V 4.7014 8.7704 127.1228 61.3578 33.1001 175.5436 63 K 4.7407 9.0820 128.3932 56.0630 33.8404 175.2377 64 H 4.9808 8.8992 116.7406 53.9472 31.7163 174.3721 65 S 4.2211 9.1297 114.3583 61.4709 62.4635 175.3079 66 Q 4.5070 8.1625 117.3740 55.6459 28.5929 175.8308 67 S 4.3694 8.4045 115.2625 58.2902 63.4884 174.4615 68 R 3.9758 8.9882 126.3074 59.2076 29.7706 177.3164 69 R 4.4817 7.4826 119.1825 53.3428 31.1316 175.0869 70 P 4.6298 0.0000 0.0000 61.2133 30.0520 176.4992 71 S 4.8818 7.6900 110.3076 57.3676 65.9315 172.6251 72 S 4.6939 8.9553 120.5288 56.2561 65.9638 174.8024 73 W 4.4568 9.0079 118.2586 59.9635 27.5053 177.7977 74 R 3.3574 6.6935 116.4761 58.1931 29.3142 176.8365 75 Q 4.2910 7.8731 118.2245 54.9412 31.8400 173.9414 76 E 3.7985 9.1201 127.0923 58.5584 29.8506 176.0402 77 K 4.6503 7.7745 120.6011 54.4071 33.1866 174.9879 78 I 4.3898 9.0221 128.5435 60.2373 37.6329 176.1660 79 T 4.5533 8.2711 113.6260 60.8292 70.4859 174.5835 80 R 4.1679 7.7827 119.8906 56.3843 30.2370 176.3495 81 T 4.3836 9.0384 110.7205 61.0262 70.0640 175.6086 82 K 3.8040 8.5303 123.1589 59.9295 32.1412 178.3354 83 E 4.0437 8.0537 118.0780 59.2117 29.7139 178.6874 84 E 3.8970 8.0254 117.9061 59.2754 29.4497 179.0959 85 A 3.9620 7.9971 120.7009 55.3648 18.5030 179.5029 86 L 3.8739 8.0087 118.5257 58.2904 42.0802 179.0717 87 E 3.9539 8.1189 118.7752 59.1049 29.3485 179.3108 88 L 3.5427 7.7677 119.0529 57.5502 41.5960 179.3294 89 I 3.7230 7.8076 120.0418 64.6242 37.0021 178.0778 90 N 4.3847 8.1527 117.1356 56.2750 38.3479 177.5009 91 G 3.5238 7.8123 106.9318 48.2589 0.0000 175.3324 92 Y 4.3948 7.5353 119.3147 60.5816 37.8103 178.3001 93 I 3.8371 8.2164 121.2547 64.4650 37.2039 178.4480 94 Q 4.0315 8.4045 119.0998 59.0576 28.4076 179.0912 95 K 4.0636 8.3243 119.4863 59.4180 32.0600 179.5915 96 I 4.3482 7.9731 121.5094 64.0190 36.8756 178.6858 97 K 4.1099 8.2970 118.7028 59.2579 31.9577 179.1033 98 S 4.4086 8.2435 113.2143 59.2226 63.3693 175.4194 99 G 4.0199 7.8946 110.3703 45.3361 0.0000 174.2983 100 E 4.1839 7.8498 118.6489 58.6316 29.8891 176.9255 101 E 4.7717 8.0617 117.6734 54.9138 34.0719 173.9310 102 D 5.1863 8.3652 120.9230 51.4102 42.1917 176.9016 103 F 3.8955 9.0878 122.0931 62.0282 39.1512 177.5205 104 E 4.0731 8.3585 117.1593 59.2001 29.3667 179.2406 105 S 4.0244 8.1396 113.5019 61.3412 62.4800 176.2023 106 L 3.9326 7.6916 120.8606 57.2034 41.5061 179.2066 107 A 3.6987 7.8683 121.4346 55.1048 18.4058 179.6707 108 S 4.3691 7.8888 115.0413 61.2705 62.6698 176.9332 109 Q 4.0252 7.4966 118.7795 57.3207 28.7242 176.7648 110 F 4.9565 7.6959 115.2490 56.9977 40.9455 175.6866 111 S 4.4465 7.8684 115.9750 58.4632 62.5818 173.0155 112 D 4.5984 8.9825 127.3733 54.4019 40.8735 175.7200 113 C 4.9758 7.9209 119.2632 57.6107 34.2023 174.3589 114 S 4.5813 8.5721 118.1785 59.3272 63.1057 175.6749 115 S 4.3401 8.0322 117.6171 59.7677 62.7506 175.2581 116 A 3.9773 7.9064 125.3803 55.7631 17.8357 179.7410 117 K 3.7192 7.7148 115.3569 58.2159 32.4987 177.4435 118 A 4.6608 7.7613 122.3452 52.3209 19.4964 176.7128 119 R 3.9217 8.5187 113.7958 57.3036 28.1799 178.0250 120 G 4.1371 8.4179 103.6236 46.3201 0.0000 173.7230 121 D 4.9814 8.1490 119.4985 53.6388 41.5774 175.9095 122 L 4.5336 8.7694 124.8333 53.8715 42.3970 177.4922 123 G 3.8532 8.7161 108.9941 44.4342 0.0000 172.6394 124 A 4.7921 8.1979 119.9229 51.7455 19.7339 176.8940 125 F 5.1733 8.6118 113.5860 56.1285 41.6332 173.3066 126 S 5.8505 9.0587 114.7979 55.5099 66.3181 173.5122 127 R 4.2113 8.2750 118.7288 57.7624 30.0699 177.4702 128 G 4.0955 9.3308 109.8449 45.4162 0.0000 174.2573 129 Q 4.4538 7.5786 116.5519 56.1048 30.7225 175.6605 130 M 4.4084 7.5814 115.6588 52.9395 34.4452 176.0558 131 Q 3.9805 8.2983 118.9578 56.5134 30.3833 178.1115 132 K 3.9047 8.8175 124.9783 59.4199 32.1629 177.2242 133 P 4.3049 0.0000 0.0000 65.4860 31.3081 178.2490 134 F 3.8699 8.2830 119.0436 61.1968 39.2990 176.6034 135 E 4.2880 8.8116 119.2284 59.5508 29.5393 178.4272 136 D 4.4435 8.7343 119.0517 57.3672 41.0087 178.6177 137 A 3.9136 8.2075 121.3097 55.4471 18.1686 179.8577 138 S 3.9530 7.9169 112.2543 61.7100 62.9753 176.6071 139 F 4.1259 8.4088 118.9401 59.5194 38.9184 177.2921 140 A 4.2280 8.0536 119.1024 52.8927 18.7072 177.8153 141 L 4.1572 6.9548 116.7175 54.6173 42.5667 176.9442 142 R 4.4753 10.1414 120.7570 54.6134 31.7787 176.3587 143 T 3.9564 8.1456 116.1141 65.6400 68.6934 174.6375 144 G 3.9856 9.3426 115.0451 45.1776 0.0000 173.5737 145 E 4.4453 7.9719 118.8907 55.9215 31.2811 175.2278 146 M 5.1529 8.3280 121.0841 53.6522 34.9051 175.4998 147 S 4.3145 8.8787 121.0304 58.1782 64.4352 174.1453 148 G 4.4053 8.0985 109.0730 44.7524 0.0000 171.3446 149 P 4.6518 0.0000 0.0000 62.4705 32.3179 176.2163 150 V 4.4987 8.5240 124.3808 61.1099 34.1266 173.9885 151 F 5.4460 9.2443 126.5271 56.2559 41.1026 175.0701 152 T 4.8560 9.0640 112.3973 60.0804 72.0992 174.2029 153 D 4.6194 8.4591 118.6085 56.5986 40.8641 179.1511 154 S 3.8647 7.9785 115.2880 59.7146 64.0631 174.6183 155 G 3.8596 6.3901 109.4724 45.0679 0.0000 172.5182 156 I 4.6861 8.4059 125.7242 59.7197 40.1024 174.4798 157 H 5.4957 9.3422 124.3458 54.2376 31.9204 173.5250 158 I 4.8742 8.7002 122.2582 59.7530 39.6174 174.6264 159 I 5.0170 8.9664 127.8048 59.3018 40.2881 174.2035 160 L 4.7522 8.4296 128.3652 53.0259 44.7454 174.9870 161 R 4.6277 8.7749 128.0658 56.0534 30.5479 176.4054 162 T 4.4678 8.6313 117.0875 61.8952 70.4942 174.8015 163 E 4.2941 7.6442 127.2119 57.1456 30.5245 175.0709 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 L 8.18 4.27 0.00 1.78 1.81 1.18 0.68 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 8 P 0.00 4.14 0.00 2.59 2.11 0.00 3.51 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 1.95 2.12 0.00 9 P 0.00 4.25 0.00 2.06 2.08 0.00 3.98 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 10 G 9.14 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 7.69 5.26 0.00 3.17 3.19 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 12 E 9.37 4.98 0.00 2.08 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 2.26 2.31 0.00 13 K 8.84 4.30 0.00 1.60 1.60 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 1.48 7.81 14 A 8.17 4.59 0.52 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 0.00 0.00 15 M 8.15 4.79 0.00 2.01 1.94 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 2.54 2.59 0.00 16 S 9.32 4.41 0.00 4.33 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 0.00 17 R 8.93 3.94 0.00 1.84 1.96 0.00 3.30 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 18 S 8.36 4.32 0.00 4.00 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 19 S 8.00 4.49 0.00 3.99 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 20 G 8.33 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 21 R 8.15 4.57 0.00 1.79 2.06 0.00 2.90 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 22 V 8.52 4.40 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 0.69 0.00 0.00 0.89 0.00 0.00 23 Y 8.14 5.00 0.00 2.98 2.68 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 24 Y 9.47 5.16 0.00 3.06 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 25 F 9.46 5.65 0.00 3.29 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 26 N 7.66 4.47 0.00 1.44 1.42 0.00 0.00 6.92 7.51 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 27 H 8.31 4.01 0.00 3.23 3.51 0.00 5.80 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.81 3.96 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.17 0.90 0.00 0.00 29 T 7.47 4.12 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 1.01 0.00 0.00 30 N 7.98 3.98 0.00 3.08 3.09 0.00 0.00 6.74 7.15 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 31 A 7.34 4.56 1.25 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 32 S 8.55 5.65 0.00 3.88 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 33 Q 9.25 4.55 0.00 2.39 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 34 W 8.88 4.57 0.00 3.40 3.34 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 35 E 8.19 4.30 0.00 1.93 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 2.36 2.45 0.00 36 R 8.19 2.51 0.00 1.46 1.53 0.00 3.19 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.89 0.00 37 P 0.00 3.49 0.00 1.29 0.49 0.00 2.25 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.00 38 S 7.84 3.10 0.00 3.99 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 *51 E 8.92 4.07 0.00 2.04 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 2.21 2.42 0.00 52 P 0.00 4.50 0.00 2.47 2.06 0.00 3.91 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 53 A 8.67 4.22 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 54 R 7.79 5.24 0.00 1.65 1.75 0.00 3.18 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 55 V 8.21 4.38 1.49 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 -0.01 0.00 0.00 -0.53 0.00 0.00 56 R 8.73 4.79 0.00 1.65 1.60 0.00 3.29 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 57 C 8.51 5.24 0.00 3.11 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 58 S 8.41 5.60 0.00 3.87 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 59 H 9.07 5.39 0.00 3.68 3.75 0.00 5.22 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.88 4.50 0.00 1.46 1.52 0.49 0.58 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 61 L 8.66 4.88 0.00 1.75 1.47 0.79 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.77 4.70 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 0.91 0.00 0.00 1.08 0.00 0.00 63 K 9.08 4.74 0.00 1.61 1.66 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.33 7.81 64 H 8.90 4.98 0.00 3.39 3.40 0.00 5.48 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.13 4.22 0.00 3.96 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 66 Q 8.16 4.51 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 67 S 8.40 4.37 0.00 3.80 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 68 R 8.99 3.98 0.00 1.90 1.98 0.00 3.20 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 1.66 1.66 0.00 69 R 7.48 4.48 0.00 1.79 1.83 0.00 3.27 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 70 P 0.00 4.63 0.00 2.17 2.03 0.00 3.60 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 2.11 2.19 0.00 71 S 7.69 4.88 0.00 3.77 3.67 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 72 S 8.96 4.69 0.00 3.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 9.01 4.46 0.00 3.48 3.26 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 74 R 6.69 3.36 0.00 1.36 1.47 0.00 2.85 0.00 0.00 2.98 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.87 4.29 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.22 0.00 76 E 9.12 3.80 0.00 2.04 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 2.38 2.31 0.00 77 K 7.77 4.65 0.00 1.71 1.67 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.41 7.81 78 I 9.02 4.39 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.50 0.92 0.00 0.00 79 T 8.27 4.55 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 1.20 0.00 0.00 80 R 7.78 4.17 0.00 2.10 2.09 0.00 3.16 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 81 T 9.04 4.38 4.41 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 1.20 0.00 0.00 82 K 8.53 3.80 0.00 1.77 1.84 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.26 7.81 83 E 8.05 4.04 0.00 2.09 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 0.00 2.39 2.45 0.00 84 E 8.03 3.90 0.00 2.18 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 2.30 2.31 0.00 85 A 8.00 3.96 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 86 L 8.01 3.87 0.00 1.92 1.89 0.97 1.05 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 87 E 8.12 3.95 0.00 2.13 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 2.43 2.45 0.00 88 L 7.77 3.54 0.00 1.73 1.33 0.85 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.81 3.72 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.91 0.88 0.00 0.00 90 N 8.15 4.38 0.00 2.90 2.84 0.00 0.00 6.96 6.88 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 91 G 7.81 3.52 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 0.00 0.00 0.00 92 Y 7.54 4.39 0.00 3.20 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 93 I 8.22 3.84 2.04 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 1.62 0.95 0.97 0.00 0.00 94 Q 8.40 4.03 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 95 K 8.32 4.06 0.00 1.92 1.95 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.63 7.81 96 I 7.97 4.35 2.11 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.21 1.05 0.00 0.00 97 K 8.30 4.11 0.00 1.91 1.94 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.51 7.81 98 S 8.24 4.41 0.00 4.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.89 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 0.00 0.00 0.00 100 E 7.85 4.18 0.00 2.06 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 2.38 2.32 0.00 101 E 8.06 4.77 0.00 1.99 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 2.29 2.49 0.00 102 D 8.37 5.19 0.00 2.92 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 0.00 103 F 9.09 3.90 0.00 3.25 3.16 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 0.00 0.00 0.00 0.00 104 E 8.36 4.07 0.00 2.15 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 0.00 2.49 2.63 0.00 105 S 8.14 4.02 0.00 3.92 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 0.00 106 L 7.69 3.93 0.00 1.42 1.33 0.98 0.90 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 0.00 107 A 7.87 3.70 0.95 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 0.00 0.00 108 S 7.89 4.37 0.00 3.93 3.83 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 0.00 109 Q 7.50 4.03 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 110 F 7.70 4.96 0.00 2.71 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 0.00 111 S 7.87 4.45 0.00 3.86 3.95 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 0.00 112 D 8.98 4.60 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.92 4.98 0.00 3.00 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 0.00 114 S 8.57 4.58 0.00 4.04 4.16 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 0.00 0.00 0.00 0.00 115 S 8.03 4.34 0.00 4.31 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 0.00 116 A 7.91 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.71 3.72 0.00 1.73 1.75 0.00 1.07 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.19 1.25 7.81 118 A 7.76 4.66 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 0.00 119 R 8.52 3.92 0.00 1.99 2.08 0.00 3.35 0.00 0.00 3.90 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 120 G 8.42 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 0.00 0.00 0.00 121 D 8.15 4.98 0.00 2.71 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 0.00 122 L 8.77 4.53 0.00 1.98 1.73 0.79 0.77 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 0.00 123 G 8.72 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 0.00 0.00 0.00 124 A 8.20 4.79 1.18 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 0.00 125 F 8.61 5.17 0.00 3.15 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 0.00 126 S 9.06 5.85 0.00 4.05 4.16 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 0.00 0.00 0.00 0.00 127 R 8.28 4.21 0.00 1.62 1.85 0.00 2.81 0.00 0.00 3.05 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 128 G 9.33 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 0.00 129 Q 7.58 4.45 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 130 M 7.58 4.41 0.00 1.58 1.80 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.73 0.00 131 Q 8.30 3.98 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 132 K 8.82 3.90 0.00 1.89 1.86 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.82 7.81 133 P 0.00 4.30 0.00 2.40 2.18 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 134 F 8.28 3.87 0.00 3.06 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 0.00 135 E 8.81 4.29 0.00 2.23 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 0.00 2.48 2.70 0.00 136 D 8.73 4.44 0.00 2.90 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 0.00 137 A 8.21 3.91 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 0.00 138 S 7.92 3.95 0.00 4.21 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 0.00 139 F 8.41 4.13 0.00 3.07 3.16 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 0.00 0.00 0.00 0.00 140 A 8.05 4.23 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 0.00 141 L 6.95 4.16 0.00 1.57 1.55 0.86 0.81 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 0.00 142 R 10.14 4.48 0.00 2.15 1.83 0.00 3.21 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 143 T 8.15 3.96 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 1.18 0.00 0.00 144 G 9.34 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 0.00 145 E 7.97 4.45 0.00 2.14 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 2.28 0.00 146 M 8.33 5.15 0.00 2.00 1.86 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 2.51 2.53 0.00 147 S 8.88 4.31 0.00 4.02 3.76 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 0.00 148 G 8.10 4.41 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 0.00 149 P 0.00 4.65 0.00 1.91 1.75 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 150 V 8.52 4.50 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 0.98 0.00 0.00 0.88 0.00 0.00 151 F 9.24 5.45 0.00 2.96 3.06 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 0.00 152 T 9.06 4.86 4.50 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 1.37 0.00 0.00 153 D 8.46 4.62 0.00 2.81 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 0.00 154 S 7.98 3.86 0.00 3.94 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 0.00 155 G 6.39 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.41 4.69 1.74 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 0.86 0.73 0.33 0.00 0.00 157 H 9.34 5.50 0.00 3.10 3.43 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.70 4.87 2.14 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 1.33 0.90 1.13 0.00 0.00 159 I 8.97 5.02 1.66 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 0.62 0.72 0.67 0.00 0.00 160 L 8.43 4.75 0.00 0.72 0.65 0.77 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.77 4.63 0.00 1.78 1.87 0.00 3.07 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 162 T 8.63 4.47 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 1.12 0.00 0.00 163 E 7.64 4.29 0.00 1.88 1.71 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 2.20 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.