NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2217 8.2644 123.5247 51.3665 19.9958 175.5199 3 D 4.2222 8.2838 118.8453 54.2992 40.9687 175.0627 4 K 4.4288 9.1034 120.4713 56.9457 32.9575 178.1811 5 E 4.2516 7.7478 118.6257 57.2258 29.9406 176.6931 6 L 3.8532 7.3901 120.3420 55.3439 42.6881 176.0332 7 K 4.6827 8.6808 126.5819 55.8326 33.3603 175.3405 8 F 5.2874 9.8114 127.0430 56.2947 41.5957 174.6147 9 L 5.3271 9.0556 123.3441 53.4139 45.0655 175.0782 10 V 4.9020 8.8623 126.4223 61.2181 33.8328 174.1987 11 V 5.0238 8.5167 128.4360 60.5808 33.6603 173.7525 12 D 4.6175 8.2467 124.1633 53.6031 44.1835 175.6162 13 D 4.8639 8.6986 123.1005 53.5088 40.1961 176.3209 14 F 5.1999 8.0825 121.0713 56.0166 40.5824 176.3527 15 S 4.2356 8.8063 120.2134 61.7611 62.8790 176.4871 16 T 3.8425 7.9433 118.8603 66.7328 68.2533 176.0702 17 M 4.0934 8.1296 119.5665 58.5688 32.3581 178.2847 18 R 3.9824 8.0888 118.4539 59.3011 30.2618 179.0246 19 R 4.0480 8.3056 118.6145 59.1894 29.9902 178.5842 20 I 3.6073 7.7352 119.8295 64.4504 37.0686 178.5826 21 V 3.6018 7.8889 118.9837 65.8046 31.2762 177.9462 22 R 3.8537 8.5060 118.9215 59.4973 29.8768 178.0186 23 N 4.2922 8.7151 117.0671 56.6926 38.9504 176.8150 24 L 3.9955 8.0927 120.4485 57.7415 41.6753 179.4823 25 L 3.9076 8.1342 119.1328 57.4983 41.5172 179.3235 26 K 4.0639 8.2928 121.2528 59.0720 31.9391 178.2122 27 E 4.0193 8.2358 118.2521 59.3303 29.5772 178.1334 28 L 4.3245 7.6917 116.3673 55.1575 42.0540 177.6641 29 G 3.7495 8.3340 107.5947 44.9229 0.0000 173.8246 30 F 4.6570 8.3669 119.2796 55.9328 38.3434 175.8869 31 N 4.8257 8.6549 122.6683 53.3301 39.6182 175.7380 32 N 4.8721 7.9304 117.0992 51.7222 38.5383 172.8323 33 V 5.1111 8.0145 121.0242 61.1690 34.9720 173.6106 34 E 5.0209 9.5714 126.2751 54.6894 33.4849 174.4921 35 E 5.4027 8.7973 118.8303 54.7322 33.6009 175.4048 36 A 4.9921 8.8885 122.5098 49.3789 22.6220 176.7199 37 E 4.5945 9.1285 118.7103 55.4512 30.5353 175.3643 38 D 4.5983 7.4899 117.9005 51.3965 42.6218 176.7204 39 G 3.7294 8.2442 107.3077 48.1690 0.0000 175.9619 40 V 3.5073 7.6663 119.8514 65.8846 31.4134 177.4614 41 D 4.2783 9.9843 117.9666 57.0606 40.9341 178.0563 42 A 3.9105 8.3583 121.6775 55.2586 18.3786 179.6714 43 L 3.8754 8.2849 117.8169 57.8695 41.4133 179.4866 44 N 4.5533 8.1280 117.3467 55.7154 38.8679 177.3503 45 K 4.1286 8.0173 119.7463 59.4233 32.1977 179.5061 46 L 3.8199 8.3415 119.5835 57.8614 41.2398 179.5963 47 Q 4.3036 8.4553 117.8704 58.5213 28.3860 178.1155 48 A 4.3091 7.6527 119.5154 51.5185 18.5196 177.1181 49 G 3.8779 8.7421 109.8668 45.3665 0.0000 174.5726 50 G 3.9183 8.9925 106.7402 45.1698 0.0000 173.1320 51 Y 4.3473 7.8692 116.9448 56.9804 39.1617 175.3550 52 G 4.1795 8.4184 109.9242 45.3114 0.0000 172.5790 53 F 4.3367 7.3087 118.8580 57.1117 42.7076 172.5162 54 V 4.9910 8.5301 125.9578 61.1765 34.5884 173.9441 55 I 5.0044 9.1701 128.9213 59.6307 39.2314 172.9921 56 S 5.2183 9.0839 125.9709 56.6315 65.6742 174.5053 *58 W 4.5953 8.8422 123.4771 57.2176 32.5423 175.7903 59 N 4.7345 8.4743 124.5648 52.9687 37.4524 173.8072 60 M 4.8658 7.8457 124.1939 52.8906 36.2743 173.5151 61 P 4.2868 0.0000 0.0000 63.2767 31.9851 174.2394 62 N 4.2992 8.3427 120.2447 52.2371 36.7535 173.9947 63 M 4.5615 7.5683 127.0015 53.4539 34.1062 175.9700 64 D 4.7992 7.9601 129.0372 52.2624 41.8571 177.0636 65 G 3.3809 8.7784 106.3974 47.4848 0.0000 175.7299 66 L 3.5788 6.7924 122.0556 58.0028 42.0824 178.7822 67 E 3.8533 8.2501 118.5345 59.0319 29.2902 178.9656 68 L 3.8182 7.4703 120.4043 58.1315 42.0948 178.5652 69 L 3.8702 7.7558 120.0708 58.3541 41.8334 179.2287 70 K 3.9463 7.9682 118.1031 59.8101 31.7664 179.5573 71 T 3.8391 7.8063 115.0113 66.4527 68.5681 176.6914 72 I 3.8204 7.8839 121.8134 64.5968 37.0163 178.7716 73 R 3.8931 8.0961 117.4297 58.7945 29.9411 178.2173 74 A 4.5251 8.0582 118.6342 51.9519 19.3964 176.9373 75 D 4.4795 8.1291 118.3546 52.7893 40.3454 176.7883 76 G 3.9708 8.6693 116.4840 48.6299 0.0000 173.0369 77 A 4.2344 8.6606 122.0411 53.8951 18.9668 177.7706 78 M 4.8686 8.6828 113.0352 54.7709 32.1188 177.5397 79 S 4.1957 8.4201 116.1062 61.6144 62.9537 174.7198 80 A 4.3339 7.7251 120.8976 51.7193 19.1938 176.6327 81 L 3.9625 7.4887 119.3911 54.4893 42.8012 175.2349 82 P 4.0171 0.0000 0.0000 62.5320 32.5230 175.3683 83 V 4.6491 8.8096 124.1702 61.0818 34.6158 173.6313 84 L 5.0609 9.3612 131.3347 53.9778 43.9695 174.8273 85 M 5.1052 9.1998 126.6541 54.0975 34.1757 175.0648 86 V 4.9216 8.8203 124.3251 61.3170 33.1440 174.9353 87 I 4.8334 9.0657 121.1119 59.0058 40.2977 176.6640 88 A 4.1752 8.7747 126.0662 54.7638 18.7294 177.5291 89 E 4.6581 7.6375 112.3945 55.1658 34.1136 175.2661 90 A 4.3607 8.2630 124.5368 51.1861 17.7463 178.9170 91 K 4.2770 7.4221 122.4961 54.6155 33.9537 177.3784 92 K 3.6987 8.7503 125.9647 60.4524 31.8709 177.1996 93 E 3.8161 8.2623 117.6445 59.3772 29.2354 178.2410 94 N 3.6359 7.7727 115.7252 56.9068 39.0166 177.2254 95 I 3.1947 7.3835 120.5826 64.3560 37.1012 178.5258 96 I 3.4759 7.9187 120.6790 64.2774 36.8194 178.4210 97 A 4.0113 8.1372 121.4333 54.9688 18.1623 179.5864 98 A 4.1096 8.0570 119.2384 55.3181 18.4861 179.7584 99 A 3.8845 7.9453 119.3460 55.3174 18.1877 179.9093 100 Q 3.9128 8.1851 115.7835 58.9287 28.9273 178.2390 101 A 4.3021 8.0733 118.6944 52.5468 18.3431 177.7986 102 G 3.7523 7.7828 105.5572 45.4699 0.0000 173.9147 103 A 4.1079 8.3868 123.5974 52.0188 18.7164 179.9501 104 S 4.3103 9.0703 120.0746 60.9351 63.6332 174.2644 105 G 4.4209 7.5066 103.8588 46.0565 0.0000 172.0945 106 W 5.9535 8.6353 115.6351 55.3658 31.3520 174.7290 107 V 4.1210 8.9730 113.9449 59.6345 35.8195 174.4010 108 V 4.7681 8.1772 124.2199 61.5084 32.3342 175.4472 109 K 4.8514 8.8459 128.3599 55.6860 33.6835 175.3015 110 P 4.4881 0.0000 0.0000 62.3800 32.3227 175.1448 111 F 5.0225 7.6288 113.7695 54.8656 41.1263 174.7035 112 T 4.4644 8.1938 111.9239 60.3037 72.0409 175.4291 113 A 4.0768 8.3777 121.6620 54.9371 18.3235 179.5432 114 A 3.9498 7.9675 118.9503 55.6971 18.5426 179.8078 115 T 3.7462 8.1417 114.3382 66.7565 68.5239 176.4677 116 L 3.7790 7.8954 122.1592 58.2437 41.9999 178.6890 117 E 3.9636 8.3746 119.0918 59.1241 29.6071 178.3392 118 E 3.8725 8.1081 119.2443 59.2506 29.6785 178.7531 119 K 3.7609 8.2414 118.7258 59.5219 32.0735 179.0812 120 L 3.6585 7.8672 119.0150 57.9472 41.4985 179.5026 121 N 4.6340 8.8140 116.7027 56.2271 38.0304 177.4469 122 K 3.9328 8.5873 120.6159 60.2390 32.3378 178.9684 123 I 3.7733 8.0560 119.9954 63.6945 37.8658 177.8552 124 F 4.6126 8.4467 118.9655 60.9131 38.6485 176.2992 125 E 4.1610 8.6432 119.2028 59.6375 29.0420 178.5336 126 K 3.7925 8.0130 118.1992 60.2372 32.5561 178.7496 127 L 4.0747 8.0375 121.2062 55.4231 43.2326 177.4227 128 G 3.9995 8.4448 107.2364 46.8354 0.0000 173.6360 129 M 4.3767 9.2999 121.6317 55.6660 32.7174 176.2148 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 A 8.26 4.22 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 3 D 8.28 4.22 0.00 2.82 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 4 K 9.10 4.43 0.00 1.54 1.23 0.00 1.29 0.00 0.00 0.94 0.00 0.00 2.56 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.40 1.06 7.81 5 E 7.75 4.25 0.00 2.14 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 2.47 2.37 0.00 6 L 7.39 3.85 0.00 1.86 2.06 1.06 0.99 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 7 K 8.68 4.68 0.00 1.76 1.38 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 1.36 7.81 8 F 9.81 5.29 0.00 3.05 3.07 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 9 L 9.06 5.33 0.00 1.74 1.48 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.86 4.90 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 1.06 0.00 0.00 1.06 0.00 0.00 11 V 8.52 5.02 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 1.21 0.00 0.00 0.92 0.00 0.00 12 D 8.25 4.62 0.00 2.76 2.46 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 13 D 8.70 4.86 0.00 2.69 2.61 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 14 F 8.08 5.20 0.00 3.21 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 15 S 8.81 4.24 0.00 4.09 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 16 T 7.94 3.84 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 17 M 8.13 4.09 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.93 0.00 18 R 8.09 3.98 0.00 2.14 2.08 0.00 3.39 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 19 R 8.31 4.05 0.00 1.93 2.05 0.00 3.16 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 20 I 7.74 3.61 1.98 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 1.32 0.37 0.69 0.00 0.00 21 V 7.89 3.60 2.26 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 1.19 0.00 0.00 1.09 0.00 0.00 22 R 8.51 3.85 0.00 1.90 2.13 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 23 N 8.72 4.29 0.00 2.91 2.87 0.00 0.00 7.29 6.53 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 24 L 8.09 4.00 0.00 1.90 1.75 0.83 0.45 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 25 L 8.13 3.91 0.00 1.81 1.65 0.70 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.29 4.06 0.00 1.92 2.05 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.36 7.81 27 E 8.24 4.02 0.00 1.98 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 0.00 2.34 2.37 0.00 28 L 7.69 4.32 0.00 2.12 1.93 1.07 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.33 3.75 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 0.00 0.00 0.00 30 F 8.37 4.66 0.00 2.86 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 31 N 8.65 4.83 0.00 2.71 2.86 0.00 0.00 7.12 8.00 0.00 0.00 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 N 7.93 4.87 0.00 3.02 2.86 0.00 0.00 6.49 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.01 5.11 2.15 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 0.91 0.00 0.00 0.96 0.00 0.00 34 E 9.57 5.02 0.00 2.26 1.98 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 2.33 2.47 0.00 35 E 8.80 5.40 0.00 1.85 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 2.25 2.34 0.00 36 A 8.89 4.99 1.16 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 0.00 0.00 37 E 9.13 4.59 0.00 2.04 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 2.36 2.26 0.00 38 D 7.49 4.60 0.00 2.83 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 39 G 8.24 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 40 V 7.67 3.51 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 1.08 0.00 0.00 0.89 0.00 0.00 41 D 9.98 4.28 0.00 2.88 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 42 A 8.36 3.91 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 43 L 8.28 3.88 0.00 1.60 1.68 0.87 0.65 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 44 N 8.13 4.55 0.00 2.80 2.87 0.00 0.00 6.99 7.29 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 45 K 8.02 4.13 0.00 1.99 1.58 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.53 7.81 46 L 8.34 3.82 0.00 1.54 1.64 0.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.46 4.30 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 48 A 7.65 4.31 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 49 G 8.74 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 50 G 8.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.87 4.35 0.00 2.96 2.94 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 52 G 8.42 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 0.00 0.00 0.00 53 F 7.31 4.34 0.00 2.35 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 54 V 8.53 4.99 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 0.93 0.00 0.00 0.88 0.00 0.00 55 I 9.17 5.00 2.04 0.00 0.00 nan 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 0.92 1.04 0.00 0.00 56 S 9.08 5.22 0.00 3.83 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.84 4.60 0.00 3.72 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 59 N 8.47 4.73 0.00 2.97 2.84 0.00 0.00 6.72 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 60 M 7.85 4.87 0.00 1.93 1.74 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 61 P 0.00 4.29 0.00 1.99 1.94 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 62 N 8.34 4.30 0.00 2.83 2.87 0.00 0.00 6.67 7.66 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 63 M 7.57 4.56 0.00 1.85 1.88 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 2.49 2.37 0.00 64 D 7.96 4.80 0.00 2.83 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 65 G 8.78 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 6.79 3.58 0.00 0.61 1.35 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.25 3.85 0.00 1.93 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 2.23 2.41 0.00 68 L 7.47 3.82 0.00 1.60 1.74 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.76 3.87 0.00 1.76 1.77 0.93 0.59 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 70 K 7.97 3.95 0.00 1.94 1.80 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.61 7.81 71 T 7.81 3.84 4.30 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 1.17 0.00 0.00 72 I 7.88 3.82 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.88 0.00 0.00 73 R 8.10 3.89 0.00 1.72 1.97 0.00 3.28 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.04 0.00 74 A 8.06 4.53 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 75 D 8.13 4.48 0.00 2.80 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 76 G 8.67 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 77 A 8.66 4.23 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 78 M 8.68 4.87 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 79 S 8.42 4.20 0.00 3.97 4.13 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 0.00 0.00 0.00 0.00 80 A 7.73 4.33 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 81 L 7.49 3.96 0.00 1.83 1.52 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.02 0.00 0.49 0.93 0.00 3.44 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 83 V 8.81 4.65 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 1.03 0.00 0.00 0.89 0.00 0.00 84 L 9.36 5.06 0.00 2.03 1.74 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 85 M 9.20 5.11 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.75 0.00 86 V 8.82 4.92 2.26 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 1.08 0.00 0.00 1.13 0.00 0.00 87 I 9.07 4.83 1.74 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.94 0.00 0.00 88 A 8.77 4.18 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 89 E 7.64 4.66 0.00 1.89 1.80 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 2.22 2.32 0.00 90 A 8.26 4.36 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 91 K 7.42 4.28 0.00 1.69 1.65 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 92 K 8.75 3.70 0.00 1.81 1.78 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.54 7.81 93 E 8.26 3.82 0.00 1.92 1.86 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 2.36 2.30 0.00 94 N 7.77 3.64 0.00 2.07 2.45 0.00 0.00 6.97 7.95 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 95 I 7.38 3.19 1.57 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.42 -0.08 0.00 0.00 96 I 7.92 3.48 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.87 0.83 0.00 0.00 97 A 8.14 4.01 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 0.00 0.00 98 A 8.06 4.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.95 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.19 3.91 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 101 A 8.07 4.30 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 0.00 102 G 7.78 3.75 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 0.00 0.00 0.00 103 A 8.39 4.11 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 0.00 104 S 9.07 4.31 0.00 3.73 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 0.00 105 G 7.51 4.42 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 0.00 106 W 8.64 5.95 0.00 3.33 3.11 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 0.00 107 V 8.97 4.12 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 0.18 0.00 0.00 0.37 0.00 0.00 108 V 8.18 4.77 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 0.85 0.00 0.00 0.96 0.00 0.00 109 K 8.85 4.85 0.00 1.90 2.02 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.46 7.81 110 P 0.00 4.49 0.00 2.13 2.03 0.00 3.73 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 1.99 1.94 0.00 111 F 7.63 5.02 0.00 3.02 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 0.00 112 T 8.19 4.46 4.27 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 1.23 0.00 0.00 113 A 8.38 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 7.97 3.95 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 0.00 115 T 8.14 3.75 4.28 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 1.06 0.00 0.00 116 L 7.90 3.78 0.00 1.92 1.90 0.74 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.37 3.96 0.00 2.22 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 0.00 2.36 2.42 0.00 118 E 8.11 3.87 0.00 2.22 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 2.26 2.34 0.00 119 K 8.24 3.76 0.00 1.59 1.70 0.00 1.41 0.00 0.00 1.40 0.00 0.00 2.59 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.40 1.32 7.81 120 L 7.87 3.66 0.00 1.88 1.65 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.81 4.63 0.00 2.96 2.97 0.00 0.00 6.82 7.83 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 0.00 122 K 8.59 3.93 0.00 1.93 2.25 0.00 1.26 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.47 7.81 123 I 8.06 3.77 1.85 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.25 0.91 0.00 0.00 124 F 8.45 4.61 0.00 3.44 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 0.00 125 E 8.64 4.16 0.00 2.38 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 126 K 8.01 3.79 0.00 1.82 1.85 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.72 7.81 127 L 8.04 4.07 0.00 1.69 1.84 0.92 1.04 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 0.00 128 G 8.44 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 0.00 129 M 9.30 4.38 0.00 2.14 2.22 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 2.68 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.