NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3465 8.2033 119.6283 55.7403 30.7397 173.3544 4 L 4.8181 8.5644 124.2904 52.2085 43.7360 174.1841 5 Q 4.4551 9.5934 126.9810 54.5405 30.5635 173.8867 6 E 5.0713 8.7337 127.8932 55.9358 31.2580 174.9422 7 S 4.4861 9.4257 118.1768 58.2125 66.9953 174.1833 8 G 3.8614 8.3375 105.9181 45.2161 0.0000 172.6051 9 G 3.5952 6.8474 105.5962 44.6666 0.0000 169.6180 10 G 3.7325 7.9933 104.7315 43.7888 0.0000 171.2956 11 L 5.2708 8.2936 121.1612 53.3475 43.9796 177.3962 12 V 4.5757 8.4725 124.2100 60.0942 35.4021 173.9056 13 Q 4.5465 8.8998 122.7591 54.8271 30.3885 175.0651 14 A 4.2535 8.4334 128.0556 54.3445 18.8247 177.8719 15 G 4.0235 9.4633 110.7546 45.2997 0.0000 174.1658 16 G 4.0199 7.6546 108.6128 44.8311 0.0000 172.3569 17 S 5.2500 8.1889 113.1615 57.1686 67.6275 173.3009 18 L 4.6270 8.5848 120.6548 53.2284 46.4765 175.0583 19 R 4.8125 8.3118 120.5634 54.5447 33.2499 174.0943 20 L 4.9658 8.5444 125.6937 53.2728 44.9755 175.5353 21 S 5.4434 9.0974 116.2775 57.6983 68.1885 172.2974 22 C 5.4573 9.4063 120.5789 55.5826 45.7135 172.5219 23 A 5.4482 9.3684 126.8003 48.4477 22.2386 173.3610 24 A 5.5660 8.8255 126.7013 51.3091 19.2411 180.7550 *31 S 3.9782 9.0023 117.2382 60.0370 62.7250 171.8304 32 F 5.1833 7.5775 120.6998 55.5207 40.5537 173.7167 33 A 4.4079 8.5535 122.8065 52.2304 19.6996 176.0600 34 M 5.2376 9.0462 121.3212 53.8638 34.9300 175.0077 35 G 4.5604 9.3139 111.9835 44.1623 0.0000 171.3030 36 W 5.4397 9.0152 119.9194 54.7311 32.7546 174.9254 37 F 5.4769 9.7759 122.1498 55.7567 43.1296 174.0561 38 R 5.0803 9.2733 116.3131 54.7794 33.4109 173.9541 39 Q 4.7867 9.1626 121.1691 54.7810 32.4155 173.8784 40 A 4.8941 8.5767 128.9888 49.5864 21.0609 174.1687 41 P 4.3399 0.0000 0.0000 64.2744 31.6326 177.4324 42 G 3.9505 8.9746 110.4746 45.5203 0.0000 173.0470 43 K 4.6359 7.7248 118.4036 53.8947 34.6111 175.7885 44 E 4.0659 8.4843 122.1359 55.7382 30.2497 176.5659 45 R 4.2895 8.6712 125.6174 57.3477 30.7844 175.1954 46 E 4.9758 9.5109 124.8740 54.1497 33.0861 175.2927 47 F 3.8125 9.2429 126.2444 58.8223 39.9549 173.5432 48 V 4.1365 7.4876 123.4633 63.4691 33.6611 174.8553 49 A 4.6146 6.3824 119.1310 51.1475 22.5020 174.4350 50 S 5.2371 8.9079 113.4652 57.3251 67.4250 172.7660 51 I 5.2042 8.8214 120.2592 59.4847 41.8382 174.6188 52 S 4.7971 8.9469 123.4702 57.1979 64.2024 175.0198 53 R 3.7500 8.7998 120.9038 59.6018 29.6478 177.9400 54 S 4.1490 7.9512 110.4524 59.5094 63.3022 175.1738 55 G 4.0175 7.9682 108.8694 45.2718 0.0000 174.4010 56 T 4.0652 7.5727 108.8912 63.2225 69.4084 174.5848 57 L 4.9073 7.9527 122.7687 52.9502 44.0314 175.8916 58 T 5.1166 8.6164 113.4275 59.8535 72.0411 173.2550 59 R 4.7735 8.5964 122.0269 54.9693 33.9479 173.3391 60 Y 5.2488 8.6218 121.5246 55.8023 41.6039 175.3306 61 A 4.3625 9.0489 125.4517 52.0773 19.2436 178.1838 62 D 4.3788 9.1207 119.8040 57.8259 40.6791 179.7002 63 S 3.9130 8.0225 112.2877 60.5015 63.4863 175.3934 64 A 3.2380 7.7490 124.1872 52.0861 18.8595 177.5068 65 K 3.6148 6.7112 116.8956 58.3068 32.3592 177.5337 66 G 3.9266 8.9613 112.1238 45.2177 0.0000 173.5460 67 R 4.6269 7.2856 112.9725 55.2121 31.7835 174.8170 68 F 5.6465 8.1255 117.9473 56.1991 41.6991 175.5088 69 T 4.7644 8.9821 117.7863 62.0455 71.9721 172.7286 70 I 5.0301 9.1420 127.8560 59.7165 39.6747 174.7328 71 S 4.8342 9.0362 121.9474 57.0563 66.9213 172.6984 72 V 4.7926 8.3294 119.8030 61.2183 34.4139 174.4621 73 D 4.7781 8.6317 127.3946 52.7545 41.4578 176.6736 74 N 4.4528 8.9096 123.8943 55.1568 38.9651 176.4214 75 A 4.2842 8.3184 120.7041 53.3474 19.2045 178.1160 76 K 4.3769 8.1583 112.0617 55.4718 33.4840 175.5429 77 N 4.1619 7.9837 116.1058 54.9247 36.2399 173.0634 78 T 5.0630 7.6189 105.9053 59.9275 72.9341 173.5645 79 V 5.0136 9.0951 121.4342 61.4001 35.2973 174.3719 80 S 5.2936 9.3964 122.1311 56.6305 67.3481 172.9224 81 L 4.7182 8.4152 124.5296 53.2643 44.4042 174.7886 82 Q 4.4639 8.9363 129.2453 55.0664 30.9478 174.0856 83 M 4.4785 8.7837 126.4442 53.6944 34.3572 174.8212 84 D 5.0725 8.8244 123.3347 51.0931 44.0421 175.4652 85 N 4.2484 8.5393 115.0974 54.7332 37.4996 174.2697 86 L 4.5350 7.8770 116.9100 54.8026 42.8305 176.4314 87 N 5.3318 9.4478 117.8655 50.4090 40.9067 173.7103 88 P 4.5016 0.0000 0.0000 64.9926 31.4595 178.5831 89 D 4.5350 8.4529 117.1748 56.7064 40.7272 176.9639 90 D 4.7456 8.2131 117.9822 55.5649 41.2280 176.7587 91 T 4.3205 7.8210 116.8588 63.9205 68.8547 173.5556 92 A 4.4058 8.6416 127.1887 51.6891 23.7577 174.9076 93 V 4.3755 8.0561 119.8070 62.5709 33.0176 174.3365 94 Y 5.1507 9.1182 125.9841 56.5748 40.4083 174.2513 95 Y 5.4975 9.6641 121.6749 56.3737 41.5920 172.8546 96 C 4.2433 8.9006 117.5448 54.7201 40.4850 172.1190 97 A 4.5846 8.1968 120.3743 50.3395 22.5703 174.8715 98 A 4.9941 8.4999 121.8431 50.0763 22.3620 175.1200 99 D 4.6710 9.1067 122.7741 52.2306 41.8724 176.7516 100 L 4.2119 8.2258 125.6262 56.9046 41.9940 178.4376 101 H 4.4642 8.1787 115.3078 57.5076 29.0038 175.9723 102 R 4.5179 7.5149 118.9060 53.3227 29.8128 174.1685 103 P 4.2405 0.0000 0.0000 64.3389 32.1472 177.4938 104 Y 4.6783 7.5024 114.6179 59.3516 40.9072 176.4587 105 G 4.1267 8.0710 105.7231 44.6466 0.0000 171.3482 106 P 4.8615 0.0000 0.0000 62.0126 32.3968 176.5434 107 G 4.3494 8.8682 108.0042 46.0004 0.0000 173.7338 108 T 4.3004 8.2479 113.0034 60.9271 70.0108 174.3798 109 Q 2.8189 8.1003 118.3103 55.7499 29.1303 176.0735 110 R 4.6406 7.8703 119.1224 54.4258 31.0870 177.1152 111 S 3.9218 9.0737 118.7347 61.4071 62.4856 175.8434 112 D 4.5957 8.1461 118.4317 56.6805 40.6795 177.0092 113 E 4.1743 8.3070 117.6709 57.6771 30.1908 176.0212 114 Y 4.4933 8.1980 118.0490 56.4642 39.0791 175.9057 115 D 4.8416 8.1673 124.2740 54.3118 42.3271 176.3585 116 S 4.8587 7.5316 114.0091 56.0415 65.4494 172.6108 117 W 5.2328 8.6775 125.2716 54.6424 32.5966 175.3861 118 G 4.0986 9.1455 112.1313 45.8911 0.0000 173.7374 119 Q 4.3215 8.8264 117.1902 56.8894 29.2551 177.3588 120 G 3.6331 9.0381 105.0315 45.9695 0.0000 172.6476 121 T 4.6611 8.2688 114.5948 59.8489 71.3746 172.6486 122 Q 4.4737 8.7032 129.3447 55.9811 30.6968 174.4036 123 V 4.8042 8.9917 126.3825 61.4233 34.5520 174.2222 124 T 4.9088 9.0048 124.0521 61.7140 72.2859 172.9323 125 V 4.8392 8.7043 126.6343 60.9673 33.8359 175.5595 126 S 4.4346 8.9238 122.8328 58.5915 63.2896 174.1630 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 3 Q 8.20 4.35 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 4 L 8.56 4.82 0.00 1.55 1.52 0.72 0.49 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 5 Q 9.59 4.46 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 6 E 8.73 5.07 0.00 2.08 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 2.42 2.68 0.00 7 S 9.43 4.49 0.00 3.89 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 8 G 8.34 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 9 G 6.85 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 10 G 7.99 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 11 L 8.29 5.27 0.00 1.61 1.52 0.98 0.80 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 12 V 8.47 4.58 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 0.57 0.00 0.00 0.89 0.00 0.00 13 Q 8.90 4.55 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.42 2.20 0.00 14 A 8.43 4.25 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 15 G 9.46 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 16 G 7.65 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 17 S 8.19 5.25 0.00 3.67 3.70 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 18 L 8.58 4.63 0.00 1.27 1.25 0.77 0.59 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 19 R 8.31 4.81 0.00 1.83 1.61 0.00 3.17 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 20 L 8.54 4.97 0.00 0.66 1.33 0.43 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.10 5.44 0.00 3.77 3.78 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 22 C 9.41 5.46 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 9.37 5.45 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 24 A 8.83 5.57 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 *31 S 9.00 3.98 0.00 3.81 3.78 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 32 F 7.58 5.18 0.00 2.97 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 33 A 8.55 4.41 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 34 M 9.05 5.24 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 35 G 9.31 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 36 W 9.02 5.44 0.00 3.11 3.17 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 37 F 9.78 5.48 0.00 3.28 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 38 R 9.27 5.08 0.00 0.87 0.91 0.00 2.42 0.00 0.00 2.94 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 39 Q 9.16 4.79 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 40 A 8.58 4.89 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 41 P 0.00 4.34 0.00 2.07 2.04 0.00 3.77 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 2.05 2.12 0.00 42 G 8.97 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 0.00 0.00 0.00 43 K 7.72 4.64 0.00 1.88 1.74 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.35 7.81 44 E 8.48 4.07 0.00 1.94 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 2.33 2.31 0.00 45 R 8.67 4.29 0.00 2.07 1.84 0.00 2.98 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 46 E 9.51 4.98 0.00 2.05 1.87 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 2.29 2.48 0.00 47 F 9.24 3.81 0.00 3.09 2.96 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 48 V 7.49 4.14 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 1.26 0.00 0.00 0.94 0.00 0.00 49 A 6.38 4.61 1.10 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 50 S 8.91 5.24 0.00 4.17 4.40 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 51 I 8.82 5.20 1.92 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 1.31 1.49 1.00 0.00 0.00 52 S 8.95 4.80 0.00 4.17 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 53 R 8.80 3.75 0.00 1.67 1.99 0.00 3.18 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 54 S 7.95 4.15 0.00 4.03 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 55 G 7.97 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 56 T 7.57 4.07 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 1.22 0.00 0.00 57 L 7.95 4.91 0.00 1.65 1.62 0.95 0.31 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 58 T 8.62 5.12 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 1.24 0.00 0.00 59 R 8.60 4.77 0.00 1.91 1.91 0.00 3.01 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 60 Y 8.62 5.25 0.00 2.90 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 61 A 9.05 4.36 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 62 D 9.12 4.38 0.00 2.72 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 63 S 8.02 3.91 0.00 3.94 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 64 A 7.75 3.24 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 65 K 6.71 3.61 0.00 1.52 1.71 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.56 1.72 7.81 66 G 8.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.29 4.63 0.00 2.02 2.04 0.00 3.10 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.61 0.00 68 F 8.13 5.65 0.00 2.86 2.85 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 69 T 8.98 4.76 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 1.27 0.00 0.00 70 I 9.14 5.03 1.91 0.00 0.00 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 1.41 1.16 0.81 0.00 0.00 71 S 9.04 4.83 0.00 3.92 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 72 V 8.33 4.79 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 0.90 0.00 0.00 0.95 0.00 0.00 73 D 8.63 4.78 0.00 2.80 2.57 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 74 N 8.91 4.45 0.00 2.75 2.85 0.00 0.00 7.10 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 75 A 8.32 4.28 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 76 K 8.16 4.38 0.00 1.75 1.85 0.00 2.04 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.43 7.81 77 N 7.98 4.16 0.00 2.97 2.86 0.00 0.00 6.62 7.05 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 78 T 7.62 5.06 4.31 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 1.32 0.00 0.00 79 V 9.10 5.01 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 1.42 0.00 0.00 0.99 0.00 0.00 80 S 9.40 5.29 0.00 3.76 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.42 4.72 0.00 0.27 0.19 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.94 4.46 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 83 M 8.78 4.48 0.00 1.03 1.45 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.81 0.00 84 D 8.82 5.07 0.00 2.73 2.57 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 85 N 8.54 4.25 0.00 2.79 2.85 0.00 0.00 7.03 7.78 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 86 L 7.88 4.53 0.00 1.86 1.59 0.83 0.34 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 87 N 9.45 5.33 0.00 2.85 2.88 0.00 0.00 7.18 7.49 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 88 P 0.00 4.50 0.00 2.22 2.17 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 89 D 8.45 4.53 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.21 4.75 0.00 2.89 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 91 T 7.82 4.32 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 1.32 0.00 0.00 92 A 8.64 4.41 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 93 V 8.06 4.38 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 0.55 0.00 0.00 0.98 0.00 0.00 94 Y 9.12 5.15 0.00 2.88 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 95 Y 9.66 5.50 0.00 3.24 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 C 8.90 4.24 0.00 2.03 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 97 A 8.20 4.58 -0.42 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 98 A 8.50 4.99 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 9.11 4.67 0.00 1.64 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 0.00 0.00 0.00 100 L 8.23 4.21 0.00 1.55 1.66 0.83 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.18 4.46 0.00 3.15 3.27 0.00 5.61 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.51 4.52 0.00 1.77 1.77 0.00 3.22 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 103 P 0.00 4.24 0.00 1.37 1.85 0.00 3.50 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.54 0.00 104 Y 7.50 4.68 0.00 2.85 2.92 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 0.00 105 G 8.07 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 0.00 0.00 0.00 106 P 0.00 4.86 0.00 2.13 2.24 0.00 3.80 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 2.00 2.00 0.00 107 G 8.87 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 0.00 0.00 0.00 0.00 108 T 8.25 4.30 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 1.16 0.00 0.00 109 Q 8.10 2.82 0.00 1.83 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 1.16 2.00 0.00 110 R 7.87 4.64 0.00 2.00 1.96 0.00 3.17 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 111 S 9.07 3.92 0.00 3.51 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 0.00 112 D 8.15 4.60 0.00 2.76 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 0.00 113 E 8.31 4.17 0.00 2.06 1.79 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 2.37 2.40 0.00 114 Y 8.20 4.49 0.00 2.70 2.36 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 0.00 115 D 8.17 4.84 0.00 2.50 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 0.00 116 S 7.53 4.86 0.00 3.68 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 0.00 117 W 8.68 5.23 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 0.00 118 G 9.15 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 0.00 119 Q 8.83 4.32 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 120 G 9.04 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.66 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 1.34 0.00 0.00 122 Q 8.70 4.47 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 123 V 8.99 4.80 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 0.76 0.00 0.00 0.48 0.00 0.00 124 T 9.00 4.91 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 1.22 0.00 0.00 125 V 8.70 4.84 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 126 S 8.92 4.43 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.