NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 Q 4.2973 8.3449 119.1123 53.7772 29.8274 174.8271 24 P 4.0637 0.0000 0.0000 60.3321 31.7415 173.8475 25 P 4.2105 0.0000 0.0000 62.7091 32.5154 175.2854 26 Q 4.3565 7.9108 119.2085 54.6452 30.7552 174.0954 27 D 4.4544 8.0500 117.2275 51.5312 43.0878 175.1911 28 L 4.0198 8.5229 128.4276 58.2897 42.2476 178.4108 29 A 3.9367 8.0198 119.8257 55.0587 18.2588 179.2408 30 A 3.8139 8.4590 119.3136 55.2594 18.5384 179.6856 31 E 4.0185 8.4031 117.1237 59.8643 29.6089 179.6934 32 Q 3.9700 8.4108 118.2160 59.0046 28.1782 179.0939 33 S 4.0855 8.2396 116.4307 61.1843 62.8215 176.5882 34 V 3.8181 8.1549 121.3543 66.2340 31.1935 178.1413 35 L 4.1658 8.0551 118.3338 57.7636 41.2825 179.6147 36 G 3.7560 8.3343 104.8803 47.8581 0.0000 175.4970 37 G 3.8859 8.3855 108.4470 47.8220 0.0000 175.6525 38 M 4.1122 8.2369 121.2645 58.1461 31.8633 178.8228 39 L 4.2468 8.4297 118.7326 56.6805 41.5514 178.4346 40 L 4.7295 7.2576 117.2205 53.9203 42.6596 176.5475 41 S 4.4322 7.3288 113.0807 56.0101 65.4538 175.0287 42 K 4.0754 8.8074 129.3707 59.5078 32.0829 178.2624 43 D 4.3817 8.2424 118.7898 57.3441 40.7603 178.4706 44 A 4.0217 7.7659 121.2186 55.0458 18.2787 179.6927 45 I 3.4773 7.6735 117.6991 64.3893 36.2451 178.2026 46 A 3.9273 7.5505 121.6088 55.4401 18.0082 179.4926 47 D 4.4183 7.7577 115.5719 56.9387 41.1153 178.6774 48 V 3.8610 7.7066 118.8372 65.4809 31.5035 177.7784 49 L 4.1134 7.9297 118.0323 58.0746 41.4813 178.9293 50 E 4.1741 7.6305 115.5204 58.0522 29.6014 177.4402 51 R 4.6189 7.7250 112.1539 55.3861 30.0818 175.1590 52 L 4.9403 7.6961 116.8115 53.2333 45.6863 175.5205 53 R 4.8518 8.1306 120.9699 53.6774 32.5179 175.1066 54 P 4.5558 0.0000 0.0000 65.8111 31.5127 178.8693 55 G 3.8003 8.1949 105.5996 48.0511 0.0000 174.2379 56 D 4.4287 8.4794 119.5106 56.4736 41.0646 176.9075 57 F 4.2591 7.7532 118.6102 57.2140 39.5490 175.0780 58 Y 4.3261 9.4925 126.8854 60.0979 39.2556 176.5949 59 R 3.9825 8.1498 120.3947 54.7248 31.3143 175.5471 60 P 4.3698 0.0000 0.0000 65.6193 31.3769 178.3924 61 A 3.9751 7.8601 119.0645 55.5348 18.2117 179.2931 62 H 4.1823 7.9321 114.1110 59.0657 28.8714 177.7817 63 Q 3.9168 7.9735 119.7025 58.9611 28.6554 178.7658 64 N 4.2976 8.0245 117.0956 56.3506 38.6595 177.5900 65 V 3.5649 7.7487 119.4746 66.0845 31.6118 177.2664 66 Y 3.9522 8.0907 119.5803 60.9696 38.6320 177.9161 67 D 4.3033 8.3392 119.4707 57.1676 40.9495 178.8243 68 A 3.9304 7.8480 120.8776 55.1435 18.3450 179.5723 69 I 3.6050 7.6055 118.3319 64.7381 37.1486 178.7486 70 L 4.0104 7.7829 122.0797 58.2194 41.1563 179.8721 71 D 4.3990 7.7734 120.3547 58.4032 40.0484 180.8563 72 L 4.3336 7.8417 120.4207 57.8308 41.2184 179.0215 73 Y 4.1896 8.4513 119.9564 60.4676 38.5339 177.7244 74 G 3.8226 8.6684 107.2695 46.6557 0.0000 175.1374 75 R 4.5258 8.0456 121.1568 57.6210 31.1891 182.4331 76 G 4.0359 7.6456 104.4856 45.7278 0.0000 173.5182 77 E 4.1111 7.7223 120.0408 54.8027 29.9277 174.8777 78 P 4.0884 0.0000 0.0000 63.2280 31.4451 175.7482 79 A 4.4736 8.5750 126.2531 50.5360 18.8460 174.7534 80 D 5.2570 8.7449 120.4935 50.3906 42.9997 176.7813 81 A 3.9745 8.6369 119.4799 55.5143 18.1273 179.9494 82 V 3.5112 7.6718 116.2082 66.4739 31.8620 178.3008 83 T 3.9105 8.0606 109.3932 64.7732 68.4485 176.5809 84 V 3.5614 8.0712 120.9429 65.5676 31.4629 177.6966 85 A 3.9705 7.9692 120.1598 55.2903 18.1508 179.5427 86 A 3.9269 7.9138 118.6824 55.2346 18.1905 179.4866 87 E 3.8736 8.3368 117.9095 59.4326 29.7124 179.0957 88 L 4.0309 8.2907 119.4012 57.4762 41.5904 178.9076 89 D 4.2664 8.4561 118.5465 57.4027 41.0029 178.0451 90 R 3.8712 7.9037 117.9760 59.4899 30.0693 177.7454 91 R 4.3202 7.5543 114.6529 55.5141 30.4512 176.5958 92 G 3.9032 8.2138 107.1628 47.2852 0.0000 175.0191 93 L 4.6543 8.3298 118.7056 53.5493 43.1334 177.7714 94 L 3.9784 7.9749 123.5097 58.9824 42.1828 179.4953 95 R 3.9494 7.9280 119.9648 61.3823 29.1644 180.2935 96 R 4.0997 7.9357 118.3421 59.1304 30.2351 177.8496 97 I 4.0266 7.5165 110.2491 61.2645 38.0097 176.4659 98 G 3.9355 7.9750 108.9032 44.7736 0.0000 175.6033 99 G 3.8953 8.5018 110.0390 44.7466 0.0000 174.0633 100 A 4.0160 8.5903 118.8938 55.0104 18.2007 178.1360 101 P 4.2642 0.0000 0.0000 65.9202 31.3450 178.2085 102 Y 4.1615 7.9243 118.5013 60.6292 38.5549 177.4046 103 L 3.8821 8.1191 119.4987 58.3185 41.7857 178.9648 104 H 4.1654 8.2897 118.0097 59.4091 29.5463 177.4738 105 T 3.7339 7.2872 116.4228 66.3413 68.4304 176.1303 106 L 3.9258 7.3669 120.8337 58.0208 41.4578 179.7828 107 I 3.7067 7.0587 117.9274 64.4785 37.0818 178.5198 108 S 4.2125 7.6377 114.5551 61.2396 62.6184 176.5769 109 T 4.1020 7.2682 118.1633 64.9984 68.6004 175.9798 110 V 3.6069 7.2050 118.8424 60.6725 31.7677 173.9876 111 P 4.3821 0.0000 0.0000 65.2269 31.6319 177.0075 112 T 4.5983 8.0594 114.5996 61.7559 72.1274 174.9102 113 A 4.0832 8.9155 129.8314 55.0700 18.7118 179.0927 114 A 4.0856 8.0566 117.4641 54.7621 18.8940 177.6593 115 N 4.8204 7.9883 112.5180 53.1700 38.8511 176.8351 116 A 4.1819 7.8022 123.6619 55.0804 18.2381 180.7083 117 G 3.3696 7.8491 103.8469 48.0994 0.0000 175.3494 118 Y 3.9912 7.3479 118.9128 61.0433 38.0601 178.1367 119 Y 4.4376 7.5760 116.8668 61.3094 37.9533 178.6349 120 A 3.9782 8.2760 121.7229 55.3150 18.4022 179.8558 121 S 4.1373 8.0745 113.6207 61.6154 62.8450 176.9588 122 I 3.6746 7.6104 122.5555 64.3471 36.8087 178.5136 123 V 3.4161 7.5823 118.2520 65.9195 31.3102 177.7247 124 A 3.8924 8.3070 121.0269 55.0791 18.1753 179.4236 125 E 3.8657 8.3336 116.1419 59.6630 29.6022 179.4344 126 K 3.8641 8.0473 119.6527 58.8965 31.9862 179.0964 127 A 3.9596 8.2099 121.1640 55.0815 18.2996 179.6216 128 L 3.9074 7.8901 117.4164 58.0235 41.8502 179.7479 129 L 3.9891 7.8657 118.8040 57.9525 41.5334 179.8815 130 R 3.9398 8.2550 118.1634 59.3108 29.9348 179.3511 131 R 3.9834 8.2491 118.1392 59.0288 29.9981 179.1143 132 L 3.9573 7.9671 119.0055 57.6951 41.6235 179.5830 133 V 3.6144 7.7466 120.1434 66.6914 31.4712 178.6366 134 E 3.9540 8.2134 117.7532 60.9484 29.5856 180.7094 135 A 4.3473 8.4313 122.6839 54.8607 18.4870 179.8288 136 G 3.5703 8.4793 104.5764 48.4285 0.0000 175.8251 137 T 3.9162 8.0769 120.9912 66.9105 68.4542 177.5133 138 R 3.6282 7.8658 122.3852 61.2166 29.3244 180.8632 139 V 3.5587 7.5768 119.2932 65.7449 31.5721 178.1478 140 V 3.4950 7.6475 117.8700 66.2849 31.3295 178.0548 141 Q 4.1638 7.7727 117.2001 59.1133 28.5176 178.3444 142 Y 4.5278 8.0093 118.0149 61.1081 37.4551 178.6435 143 G 3.6007 8.3082 106.7572 48.2159 0.0000 175.3190 144 Y 4.2994 7.6942 117.5511 60.3662 38.0667 177.9225 145 A 4.3081 8.3094 122.2183 55.1976 18.3594 179.7895 146 G 3.6160 8.5405 103.0876 47.9368 0.0000 175.1866 147 A 4.2151 7.6861 120.2227 53.6527 18.4795 178.2151 148 E 4.3819 8.2866 118.2751 57.4671 30.7270 177.8885 *152 V 4.1444 7.5584 115.5595 60.6206 34.4277 183.1309 153 A 4.0568 7.8569 121.9304 55.0421 18.2817 179.5063 154 E 3.8951 8.0385 116.7163 59.2608 29.5978 179.5271 155 V 3.3619 7.6108 117.8355 65.9656 31.7069 178.0725 156 V 3.6570 8.0296 120.4489 66.7031 31.2853 178.3458 157 D 4.4454 8.1152 122.9494 59.1296 39.5991 181.1495 158 R 4.0940 8.0532 122.2486 61.1553 28.8279 180.4795 159 A 4.4460 8.2021 121.6609 55.3742 18.3523 179.8116 160 Q 3.5301 8.1002 116.2382 58.4199 28.8945 178.4491 161 A 4.0336 8.3009 122.3780 55.2640 18.2363 179.0325 162 E 3.8936 8.1450 116.4496 59.7518 29.7053 178.8028 163 I 3.9099 6.9764 117.4160 64.1472 37.4493 177.5772 164 Y 4.6222 7.5523 118.5099 60.7307 37.8241 176.1561 165 D 4.6124 7.8578 122.8975 53.3855 39.9145 181.2581 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 23 Q 8.34 4.30 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 24 P 0.00 4.06 0.00 1.46 1.82 0.00 3.54 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 1.99 2.13 0.00 25 P 0.00 4.21 0.00 2.12 1.93 0.00 3.59 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 1.96 2.00 0.00 26 Q 7.91 4.36 0.00 2.05 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 27 D 8.05 4.45 0.00 2.65 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 28 L 8.52 4.02 0.00 1.87 1.70 1.10 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.02 3.94 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 30 A 8.46 3.81 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 31 E 8.40 4.02 0.00 2.39 2.35 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 2.30 2.50 0.00 32 Q 8.41 3.97 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 33 S 8.24 4.09 0.00 3.58 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 34 V 8.15 3.82 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 1.28 0.00 0.00 1.07 0.00 0.00 35 L 8.06 4.17 0.00 1.89 1.68 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.33 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 0.00 0.00 0.00 37 G 8.39 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.24 4.11 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.63 0.00 39 L 8.43 4.25 0.00 1.81 1.71 0.89 0.77 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 40 L 7.26 4.73 0.00 1.73 1.72 0.93 0.76 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 41 S 7.33 4.43 0.00 3.84 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 42 K 8.81 4.08 0.00 1.90 1.86 0.00 1.93 0.00 0.00 2.07 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.84 1.66 7.81 43 D 8.24 4.38 0.00 2.82 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 44 A 7.77 4.02 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.67 3.48 1.46 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.10 0.00 0.00 46 A 7.55 3.93 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 47 D 7.76 4.42 0.00 2.75 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 48 V 7.71 3.86 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 1.28 0.00 0.00 0.99 0.00 0.00 49 L 7.93 4.11 0.00 1.64 1.78 0.88 0.89 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 50 E 7.63 4.17 0.00 1.96 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 2.32 2.31 0.00 51 R 7.73 4.62 0.00 1.90 1.92 0.00 3.18 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 52 L 7.70 4.94 0.00 1.58 1.35 0.51 0.69 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 53 R 8.13 4.85 0.00 1.82 1.78 0.00 3.47 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 1.63 1.77 0.00 54 P 0.00 4.56 0.00 2.38 2.53 0.00 3.84 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 55 G 8.19 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 0.00 0.00 0.00 56 D 8.48 4.43 0.00 2.53 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 57 F 7.75 4.26 0.00 3.08 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 58 Y 9.49 4.33 0.00 2.88 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 59 R 8.15 3.98 0.00 1.58 1.64 0.00 3.31 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 60 P 0.00 4.37 0.00 2.06 2.04 0.00 3.41 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 61 A 7.86 3.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.93 4.18 0.00 3.42 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.97 3.92 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.73 0.00 64 N 8.02 4.30 0.00 2.97 2.86 0.00 0.00 6.67 7.35 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 65 V 7.75 3.56 2.17 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 0.98 0.00 0.00 1.05 0.00 0.00 66 Y 8.09 3.95 0.00 2.42 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 67 D 8.34 4.30 0.00 2.95 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 68 A 7.85 3.93 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 69 I 7.61 3.61 1.82 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 1.49 0.79 0.81 0.00 0.00 70 L 7.78 4.01 0.00 1.56 1.62 0.71 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.77 4.40 0.00 2.81 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 72 L 7.84 4.33 0.00 1.91 1.94 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.45 4.19 0.00 3.08 3.08 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 74 G 8.67 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.05 4.53 0.00 1.91 1.81 0.00 3.27 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 76 G 7.65 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.72 4.11 0.00 2.07 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 2.28 0.00 78 P 0.00 4.09 0.00 2.19 2.10 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 79 A 8.57 4.47 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 80 D 8.74 5.26 0.00 2.84 2.79 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 81 A 8.64 3.97 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 82 V 7.67 3.51 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 1.08 0.00 0.00 0.98 0.00 0.00 83 T 8.06 3.91 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 1.27 0.00 0.00 84 V 8.07 3.56 2.17 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 1.08 0.00 0.00 0.96 0.00 0.00 85 A 7.97 3.97 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 86 A 7.91 3.93 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 87 E 8.34 3.87 0.00 2.19 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 2.30 2.39 0.00 88 L 8.29 4.03 0.00 1.87 1.70 0.94 1.26 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 89 D 8.46 4.27 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 90 R 7.90 3.87 0.00 1.95 2.17 0.00 3.30 0.00 0.00 3.47 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 91 R 7.55 4.32 0.00 1.93 1.95 0.00 3.31 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 92 G 8.21 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 93 L 8.33 4.65 0.00 1.73 1.65 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.97 3.98 0.00 1.85 1.67 0.99 1.10 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 95 R 7.93 3.95 0.00 1.86 1.92 0.00 3.31 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 96 R 7.94 4.10 0.00 1.77 2.12 0.00 3.17 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 97 I 7.52 4.03 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.87 0.98 0.00 0.00 98 G 7.97 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 0.00 0.00 0.00 99 G 8.50 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 0.00 100 A 8.59 4.02 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 0.00 101 P 0.00 4.26 0.00 2.24 2.17 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 102 Y 7.92 4.16 0.00 3.04 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 0.00 103 L 8.12 3.88 0.00 1.91 1.71 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.29 4.17 0.00 3.25 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.29 3.73 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 1.13 0.00 0.00 106 L 7.37 3.93 0.00 1.69 1.58 0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.06 3.71 1.80 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 1.51 0.43 0.88 0.00 0.00 108 S 7.64 4.21 0.00 3.77 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 0.00 109 T 7.27 4.10 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 1.19 0.00 0.00 110 V 7.21 3.61 2.25 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 0.93 0.00 0.00 1.13 0.00 0.00 111 P 0.00 4.38 0.00 2.20 2.18 0.00 3.34 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 1.91 2.01 0.00 112 T 8.06 4.60 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 1.28 0.00 0.00 113 A 8.92 4.08 1.39 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 0.00 0.00 114 A 8.06 4.09 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 0.00 115 N 7.99 4.82 0.00 2.68 2.26 0.00 0.00 6.70 8.25 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 0.00 116 A 7.80 4.18 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 0.00 117 G 7.85 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 0.00 0.00 0.00 118 Y 7.35 3.99 0.00 2.96 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 0.00 119 Y 7.58 4.44 0.00 3.17 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 0.00 120 A 8.28 3.98 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 0.00 121 S 8.07 4.14 0.00 4.04 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 0.00 122 I 7.61 3.67 2.07 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 1.71 1.07 0.96 0.00 0.00 123 V 7.58 3.42 1.90 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 0.44 0.00 0.00 0.81 0.00 0.00 124 A 8.31 3.89 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 0.00 125 E 8.33 3.87 0.00 2.18 2.33 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 2.46 2.33 0.00 126 K 8.05 3.86 0.00 1.88 2.00 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.52 7.81 127 A 8.21 3.96 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 0.00 128 L 7.89 3.91 0.00 1.91 1.72 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.87 3.99 0.00 1.84 1.68 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.26 3.94 0.00 2.01 1.99 0.00 3.19 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.90 0.00 131 R 8.25 3.98 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 132 L 7.97 3.96 0.00 1.90 1.69 0.91 0.72 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 0.00 133 V 7.75 3.61 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 0.97 0.00 0.00 0.94 0.00 0.00 134 E 8.21 3.95 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 135 A 8.43 4.35 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 0.00 136 G 8.48 3.57 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 0.00 0.00 0.00 137 T 8.08 3.92 4.37 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 1.18 0.00 0.00 138 R 7.87 3.63 0.00 1.83 1.94 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 139 V 7.58 3.56 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 0.96 0.00 0.00 0.89 0.00 0.00 140 V 7.65 3.49 2.24 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 1.13 0.00 0.00 0.91 0.00 0.00 141 Q 7.77 4.16 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 142 Y 8.01 4.53 0.00 3.13 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.31 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 0.00 144 Y 7.69 4.30 0.00 3.06 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 0.00 145 A 8.31 4.31 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 0.00 146 G 8.54 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 0.00 147 A 7.69 4.22 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 0.00 148 E 8.29 4.38 0.00 2.13 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 2.29 2.36 0.00 *152 V 7.56 4.14 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 0.76 0.00 0.00 0.93 0.00 0.00 153 A 7.86 4.06 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 0.00 154 E 8.04 3.90 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 155 V 7.61 3.36 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 1.07 0.00 0.00 0.88 0.00 0.00 156 V 8.03 3.66 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.99 0.00 0.00 157 D 8.12 4.45 0.00 2.77 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 0.00 158 R 8.05 4.09 0.00 1.82 1.97 0.00 3.25 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 159 A 8.20 4.45 1.52 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 0.00 160 Q 8.10 3.53 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 161 A 8.30 4.03 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 0.00 162 E 8.15 3.89 0.00 2.18 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 2.35 2.37 0.00 163 I 6.98 3.91 1.40 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 1.53 0.76 0.81 0.00 0.00 164 Y 7.55 4.62 0.00 3.00 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 0.00 165 D 7.86 4.61 0.00 2.73 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 * Residues marked with a * may have inaccurate shift predictions.