NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8708 8.1676 115.8569 57.2602 40.2757 177.0890 11 H 3.8115 6.1364 117.2716 56.9179 28.6280 173.6967 12 E 4.3207 8.0204 120.3730 58.0089 30.2361 178.1751 13 M 4.6164 7.3207 115.7872 55.1047 32.1360 176.9269 14 R 4.5523 7.5977 117.3106 55.7346 33.3264 175.5187 15 E 4.0057 8.7869 117.8279 55.4079 29.7301 174.7911 16 P 4.6429 0.0000 0.0000 63.0112 32.4950 174.8157 17 R 4.3370 7.8253 115.5213 55.8018 33.3329 173.5657 18 I 4.4771 8.1858 120.4130 60.0634 37.8001 175.6323 19 E 4.2534 8.8883 129.6352 58.6043 30.1190 176.7000 20 K 4.7000 7.4524 115.3823 55.9892 35.9865 174.6829 21 V 5.0868 8.3115 121.3803 60.2267 34.4266 174.2316 22 V 4.5069 8.1529 128.7882 61.7928 33.3270 174.7531 23 V 5.1535 8.3754 121.3542 59.1390 33.9282 174.2424 24 H 5.1626 8.6321 124.5711 54.6102 33.7618 172.0162 25 M 4.7031 8.4049 123.1967 53.0427 33.6386 174.4902 26 G 3.5222 8.0900 110.2941 47.7478 0.0000 170.4958 27 I 3.8387 9.4883 130.4699 60.3056 36.2582 176.9550 28 G 4.6059 5.3800 125.5337 46.3473 0.0000 172.3160 29 H 4.5492 7.3230 117.4855 55.6466 31.2946 174.6230 *35 A 4.4122 6.8780 123.3158 51.4032 19.2417 180.0367 36 N 4.3963 9.0398 117.5649 58.1386 36.3043 176.4606 37 A 4.0367 8.0067 122.9772 55.3385 18.3869 178.8890 38 E 3.8322 8.0785 117.0705 60.0546 29.6453 179.1585 39 D 4.4804 7.7397 117.1248 57.8599 40.8971 179.4524 40 I 3.9932 7.5526 113.9885 63.6640 37.7159 177.8350 41 L 4.0256 8.1394 120.9531 57.5515 41.3404 179.7431 42 G 3.6026 7.7982 105.1501 47.9741 0.0000 175.5885 43 E 3.9818 7.7475 120.6643 59.0665 29.2467 179.3610 44 I 3.8713 8.1925 118.4061 63.4225 38.0925 177.2524 45 T 4.3827 8.2316 109.7272 64.5301 69.5968 174.9635 46 G 3.7164 7.1059 108.9703 44.2493 0.0000 173.1814 47 Q 4.5559 7.7410 117.0408 54.3381 31.6351 174.1391 48 M 3.9072 8.4151 118.6681 55.3585 32.6890 174.9077 49 P 4.8757 0.0000 0.0000 61.8311 34.3432 175.1071 50 V 4.3036 7.9375 118.8391 61.9184 34.4286 174.8903 51 R 4.3653 8.8496 127.1161 57.3279 31.3367 176.5298 52 T 4.4652 8.5699 117.4008 62.0293 71.8171 174.2046 53 K 5.2670 8.8074 126.3397 54.9088 34.2933 175.7475 54 A 4.7552 8.0330 119.6368 50.9326 22.2804 176.0938 55 K 4.4367 8.5617 118.2409 55.8064 34.4751 177.3577 56 R 3.9493 8.6128 122.9301 55.9241 29.2705 175.5336 57 T 4.8098 8.1912 114.2230 61.8834 71.2064 174.2558 58 V 4.5294 8.3510 124.4911 60.5684 34.5050 176.8189 59 G 3.7309 8.7656 114.1327 48.3207 0.0000 174.4076 60 E 4.2141 8.1583 119.1910 59.0018 28.3376 176.7181 61 F 4.1184 7.6344 115.0524 60.6696 39.0577 174.8626 62 D 4.9431 8.0242 116.9020 52.8093 41.1573 175.7330 63 I 3.8391 7.6120 113.6708 62.6729 39.0119 176.5057 64 R 3.8168 7.8762 120.6372 56.0162 29.1048 174.9074 65 E 3.6509 8.3804 127.1271 59.3609 29.9993 175.7959 66 G 4.0129 7.8704 106.7119 45.4899 0.0000 172.3118 67 D 4.7619 8.5518 124.9585 52.0728 41.5613 174.1044 68 P 4.3683 0.0000 0.0000 64.0497 31.6577 175.6636 69 I 4.6642 8.7405 119.6230 62.3026 44.3409 174.4437 70 G 4.5649 7.8295 106.8483 45.8213 0.0000 171.3313 71 A 5.8166 8.4189 120.1113 51.0535 23.0262 175.1314 72 K 5.3676 8.2171 116.5832 57.3792 36.3751 174.7428 73 V 4.5993 8.0012 119.4426 61.7647 35.0254 172.7924 74 T 4.6724 8.5151 118.4472 60.2438 70.0974 173.6176 75 L 4.6810 8.3503 127.1603 53.1374 43.8823 176.1136 76 R 4.7745 7.9640 120.6960 55.0578 33.7868 176.4761 77 D 4.4028 8.9092 120.4106 55.3413 38.6985 176.3266 78 E 3.9610 8.9385 121.6271 61.1112 29.1667 178.6699 79 M 4.0074 8.1624 116.7683 58.0708 32.2010 178.1419 80 A 4.3128 8.1429 120.9363 54.7209 19.1488 179.2778 81 E 3.9678 8.1011 116.4959 59.7132 29.5670 179.1227 82 E 4.0723 8.2650 116.5485 58.3002 29.8535 178.0389 83 F 4.6120 7.8554 120.3389 59.8840 40.6128 177.2222 84 L 4.1328 8.1333 118.3853 57.1581 41.1804 178.7240 85 Q 4.4258 8.5041 117.9354 55.8124 29.0617 175.6947 86 T 4.2829 7.8651 114.0797 62.6841 75.2584 174.5316 87 A 3.9749 7.9753 124.6991 55.0192 18.8249 178.4062 88 L 3.7771 8.1815 115.2371 57.6992 41.6571 178.0882 89 P 4.3400 0.0000 0.0000 63.8220 30.9628 176.3541 90 L 4.8281 8.1494 117.1840 53.8431 42.9585 176.0151 91 A 4.6167 7.7159 119.3887 51.0026 21.8427 177.2748 92 E 4.4022 8.3743 121.2200 54.1849 28.8642 175.3617 93 L 3.9788 8.1540 122.9643 54.6201 42.2557 176.9120 94 A 5.6486 8.2413 124.6664 49.7919 21.8361 176.8589 95 T 4.0170 8.4322 115.4571 66.8948 68.9256 177.9598 96 S 4.0213 8.1495 115.3426 61.3453 63.0134 175.9902 97 Q 4.2745 8.0440 117.7685 56.2911 27.8405 175.2887 98 F 5.1105 8.0661 116.4294 55.4763 41.8238 174.9382 99 D 4.7240 9.9362 123.0265 53.8895 41.7424 176.9529 100 D 4.5776 8.5979 120.9644 56.3136 41.0815 177.5458 101 T 4.6442 7.7965 114.4141 62.3317 68.6890 174.4813 102 G 4.0022 8.0932 108.8469 46.6815 0.0000 173.4906 103 N 5.3650 8.0307 115.5807 51.4027 42.4662 173.5481 104 F 4.4435 7.9130 113.4282 55.8586 41.5191 173.0632 105 S 5.0301 8.1996 112.8067 56.5072 64.7273 173.0255 106 F 4.9631 8.7870 121.2069 55.8070 41.2007 173.2534 107 G 4.0680 8.9117 103.8440 44.5535 0.0000 172.8320 *128 L 4.0121 8.5396 122.8756 55.1665 43.7538 176.5184 129 D 4.8160 8.6478 126.0846 52.8460 43.8010 176.1741 130 V 4.1598 7.8900 121.4701 61.8574 34.3644 173.9068 131 T 4.6693 8.8615 125.4940 61.7058 71.2560 174.1607 132 V 4.4327 7.7895 123.9792 61.0864 34.6769 173.6299 133 N 4.8548 9.0835 127.9086 52.2664 40.1290 173.4706 134 L 5.2737 8.1578 126.2160 53.3793 44.5286 175.9136 135 V 4.2413 7.8181 120.1823 61.4434 35.3687 171.7874 136 R 4.6911 8.1007 116.8606 53.7696 31.8503 175.7952 137 P 4.2909 0.0000 0.0000 64.5286 31.8669 176.9500 138 G 4.2521 8.3481 107.3846 44.8918 0.0000 174.6741 139 Y 4.1645 8.2913 123.3935 60.1696 38.7226 177.1519 140 R 4.0793 8.2297 119.4112 59.3982 30.0059 178.2229 141 V 3.5943 7.7861 117.0566 64.7401 31.2216 176.5866 142 A 5.2069 7.8236 119.4442 51.1288 19.7470 176.7162 143 K 4.2821 7.4679 114.9053 55.9499 34.3059 176.6196 144 R 4.2567 7.7125 115.3300 55.6174 30.4555 176.6358 145 D 4.4611 8.5215 117.6015 56.9321 40.9770 177.8142 146 K 4.0829 7.9207 118.2281 57.2496 32.7605 176.6793 147 A 3.6818 8.7873 124.0343 52.4012 16.3314 177.0572 148 S 4.4686 7.1312 112.0733 61.0970 63.7279 173.5343 149 R 4.6081 9.1019 119.6862 55.3383 33.9322 173.3526 150 S 4.8346 8.4402 118.6898 56.8005 63.5311 173.8879 151 I 3.7209 8.4418 127.9256 61.0315 37.3855 174.2346 152 P 4.4442 0.0000 0.0000 62.7158 32.1272 177.4205 153 T 4.0211 8.5787 110.8647 64.8671 68.9887 176.7847 154 K 3.9342 8.1115 120.4739 59.5700 32.1241 177.2073 155 H 4.5346 7.7671 113.7456 56.5189 29.8390 175.2002 156 R 4.2759 7.5364 117.5100 56.0129 30.6980 175.7400 157 L 4.2325 8.2735 122.9767 54.6566 43.0900 176.0798 158 N 4.7422 8.2100 123.3276 51.5227 41.1158 174.3048 159 P 4.2711 0.0000 0.0000 66.0635 31.4517 178.5515 160 A 3.8923 8.0184 118.5481 55.6317 18.0486 179.3242 161 D 4.3429 8.1729 116.0632 56.9712 40.8346 178.7908 162 A 4.1864 7.8421 121.6116 54.8106 18.7711 179.3919 163 V 3.1640 7.8629 116.9732 66.4915 31.4605 177.4655 164 A 3.8839 8.0989 119.9178 55.5058 17.8936 178.8641 165 F 3.9909 7.9810 117.6135 62.0026 39.7997 177.7151 166 I 3.5932 8.1470 118.5602 64.4211 36.8875 177.8977 167 E 4.4551 8.3097 120.6256 58.5969 29.6803 177.7489 168 S 4.5495 8.2319 112.7109 57.5218 64.4134 175.3481 169 T 4.6486 7.8332 112.9672 63.7728 71.7771 173.2406 170 Y 3.3996 7.8300 123.1930 57.8037 35.6096 168.5778 171 D 4.3636 6.6593 117.1159 53.8286 43.1748 175.4388 172 V 4.7799 7.9419 117.1383 61.1913 35.6655 177.4924 173 E 4.5586 8.8764 128.9857 56.6603 28.8202 177.0196 174 V 3.6357 7.5712 117.6169 61.7015 32.0539 174.8117 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 10 F 8.17 4.87 0.00 3.33 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 6.14 3.81 0.00 3.20 2.83 0.00 5.48 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.02 4.32 0.00 1.57 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 2.22 2.22 0.00 13 M 7.32 4.62 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 14 R 7.60 4.55 0.00 1.99 1.94 0.00 3.39 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 15 E 8.79 4.01 0.00 2.14 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 2.45 2.27 0.00 16 P 0.00 4.64 0.00 0.79 1.50 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 17 R 7.83 4.34 0.00 1.78 1.90 0.00 2.73 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 18 I 8.19 4.48 1.95 0.00 0.00 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 1.41 0.86 0.96 0.00 0.00 19 E 8.89 4.25 0.00 1.83 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 2.28 2.25 0.00 20 K 7.45 4.70 0.00 1.77 1.80 0.00 1.45 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.32 7.81 21 V 8.31 5.09 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 0.92 0.00 0.00 0.97 0.00 0.00 22 V 8.15 4.51 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 0.76 0.00 0.00 0.84 0.00 0.00 23 V 8.38 5.15 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 0.46 0.00 0.00 0.67 0.00 0.00 24 H 8.63 5.16 0.00 3.25 2.98 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.40 4.70 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 26 G 8.09 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 27 I 9.49 3.84 1.91 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 1.28 0.79 0.72 0.00 0.00 28 G 5.38 4.61 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 29 H 7.32 4.55 0.00 3.13 3.32 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 6.88 4.41 1.11 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 0.00 0.00 36 N 9.04 4.40 0.00 2.92 3.12 0.00 0.00 5.84 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.01 4.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.08 3.83 0.00 2.02 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 2.32 2.38 0.00 39 D 7.74 4.48 0.00 2.81 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 40 I 7.55 3.99 1.88 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 1.76 1.93 0.92 0.00 0.00 41 L 8.14 4.03 0.00 1.86 1.75 0.87 0.84 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 42 G 7.80 3.60 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 0.00 0.00 0.00 43 E 7.75 3.98 0.00 2.30 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 2.34 2.47 0.00 44 I 8.19 3.87 1.96 0.00 0.00 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 2.12 0.89 1.07 0.00 0.00 45 T 8.23 4.38 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 0.88 0.00 0.00 46 G 7.11 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.74 4.56 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 48 M 8.42 3.91 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 49 P 0.00 4.88 0.00 2.05 1.98 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 50 V 7.94 4.30 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 0.98 0.00 0.00 0.93 0.00 0.00 51 R 8.85 4.37 0.00 1.71 1.86 0.00 3.35 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 52 T 8.57 4.47 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 1.20 0.00 0.00 53 K 8.81 5.27 0.00 1.62 1.76 0.00 1.75 0.00 0.00 1.05 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.27 7.81 54 A 8.03 4.76 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 55 K 8.56 4.44 0.00 1.64 1.73 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.44 7.81 56 R 8.61 3.95 0.00 1.97 1.99 0.00 3.16 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 57 T 8.19 4.81 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 1.24 0.00 0.00 58 V 8.35 4.53 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 1.10 0.00 0.00 0.94 0.00 0.00 59 G 8.77 3.73 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 0.00 0.00 0.00 60 E 8.16 4.21 0.00 2.14 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 2.31 2.34 0.00 61 F 7.63 4.12 0.00 3.00 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 62 D 8.02 4.94 0.00 2.95 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 63 I 7.61 3.84 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 1.02 0.00 0.00 64 R 7.88 3.82 0.00 1.75 2.08 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 65 E 8.38 3.65 0.00 2.04 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 2.38 2.33 0.00 66 G 7.87 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.55 4.76 0.00 2.69 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 68 P 0.00 4.37 0.00 1.93 2.04 0.00 3.64 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 2.02 2.13 0.00 69 I 8.74 4.66 1.97 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 1.13 1.33 0.84 0.00 0.00 70 G 7.83 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.42 5.82 1.12 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 0.00 0.00 72 K 8.22 5.37 0.00 1.76 1.89 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.22 7.81 73 V 8.00 4.60 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 0.89 0.00 0.00 0.92 0.00 0.00 74 T 8.52 4.67 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 1.16 0.00 0.00 75 L 8.35 4.68 0.00 1.62 1.62 0.54 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.96 4.77 0.00 1.62 1.77 0.00 3.31 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 77 D 8.91 4.40 0.00 2.89 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.94 3.96 0.00 2.02 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 0.00 2.42 2.43 0.00 79 M 8.16 4.01 0.00 1.97 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 80 A 8.14 4.31 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 81 E 8.10 3.97 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 82 E 8.26 4.07 0.00 2.06 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 0.00 2.36 2.43 0.00 83 F 7.86 4.61 0.00 3.24 3.30 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 84 L 8.13 4.13 0.00 1.93 1.78 1.09 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.50 4.43 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 86 T 7.87 4.28 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 1.15 0.00 0.00 87 A 7.98 3.97 1.04 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 88 L 8.18 3.78 0.00 1.72 1.63 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.34 0.00 2.11 2.07 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 90 L 8.15 4.83 0.00 1.73 1.63 0.92 0.56 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 91 A 7.72 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.37 4.40 0.00 1.97 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 2.22 2.31 0.00 93 L 8.15 3.98 0.00 1.58 1.65 0.66 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.24 5.65 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.43 4.02 4.24 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 1.17 0.00 0.00 96 S 8.15 4.02 0.00 4.06 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.04 4.27 0.00 2.56 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 98 F 8.07 5.11 0.00 3.15 3.04 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 99 D 9.94 4.72 0.00 2.83 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 0.00 100 D 8.60 4.58 0.00 2.73 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 0.00 101 T 7.80 4.64 4.32 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 1.25 0.00 0.00 102 G 8.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.03 5.37 0.00 2.67 2.75 0.00 0.00 6.54 8.13 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 0.00 104 F 7.91 4.44 0.00 2.56 1.48 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 0.00 105 S 8.20 5.03 0.00 3.79 3.69 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 0.00 106 F 8.79 4.96 0.00 3.21 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 0.00 107 G 8.91 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 L 8.54 4.01 0.00 1.75 1.60 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.65 4.82 0.00 2.81 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 0.00 130 V 7.89 4.16 1.15 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 0.97 0.00 0.00 0.94 0.00 0.00 131 T 8.86 4.67 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 1.07 0.00 0.00 132 V 7.79 4.43 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 0.00 0.00 1.03 0.00 0.00 0.81 0.00 0.00 133 N 9.08 4.85 0.00 2.72 2.57 0.00 0.00 6.61 6.48 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 0.00 134 L 8.16 5.27 0.00 1.71 1.46 1.28 1.07 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 0.00 135 V 7.82 4.24 1.59 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 0.29 0.00 0.00 0.81 0.00 0.00 136 R 8.10 4.69 0.00 1.88 2.00 0.00 3.04 0.00 0.00 2.79 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 137 P 0.00 4.29 0.00 2.08 2.19 0.00 3.62 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 2.18 2.10 0.00 138 G 8.35 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 0.00 0.00 0.00 139 Y 8.29 4.16 0.00 3.18 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.23 4.08 0.00 1.94 1.94 0.00 3.24 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 141 V 7.79 3.59 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 0.72 0.00 0.00 0.96 0.00 0.00 142 A 7.82 5.21 0.99 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 0.00 143 K 7.47 4.28 0.00 1.63 1.78 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.81 1.31 7.81 144 R 7.71 4.26 0.00 1.90 1.92 0.00 3.10 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 145 D 8.52 4.46 0.00 2.67 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 0.00 146 K 7.92 4.08 0.00 1.80 1.70 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.79 3.68 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 0.00 148 S 7.13 4.47 0.00 3.85 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 0.00 149 R 9.10 4.61 0.00 1.83 1.71 0.00 3.11 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 150 S 8.44 4.83 0.00 3.90 3.73 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 0.00 151 I 8.44 3.72 1.97 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 1.39 1.11 1.04 0.00 0.00 152 P 0.00 4.44 0.00 2.21 2.01 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 153 T 8.58 4.02 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 1.23 0.00 0.00 154 K 8.11 3.93 0.00 1.79 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.51 7.81 155 H 7.77 4.53 0.00 3.16 3.36 0.00 5.94 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 0.00 156 R 7.54 4.28 0.00 2.11 1.87 0.00 3.43 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.75 0.00 157 L 8.27 4.23 0.00 1.68 1.69 0.90 0.58 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 0.00 158 N 8.21 4.74 0.00 2.96 2.72 0.00 0.00 6.58 7.91 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 0.00 159 P 0.00 4.27 0.00 2.15 2.17 0.00 3.64 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 2.16 2.43 0.00 160 A 8.02 3.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.17 4.34 0.00 2.91 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 0.00 162 A 7.84 4.19 1.66 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 0.00 0.00 163 V 7.86 3.16 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 0.63 0.00 0.00 0.40 0.00 0.00 164 A 8.10 3.88 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 0.00 165 F 7.98 3.99 0.00 3.02 3.37 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 0.00 166 I 8.15 3.59 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.93 0.87 0.00 0.00 167 E 8.31 4.46 0.00 1.86 2.20 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 2.28 2.15 0.00 168 S 8.23 4.55 0.00 3.83 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 0.00 169 T 7.83 4.65 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 1.24 0.00 0.00 170 Y 7.83 3.40 0.00 2.98 3.05 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 0.00 171 D 6.66 4.36 0.00 2.86 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 0.00 172 V 7.94 4.78 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 0.84 0.00 0.00 0.89 0.00 0.00 173 E 8.88 4.56 0.00 1.98 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 2.40 2.23 0.00 174 V 7.57 3.64 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 0.91 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.