NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.4175 8.1133 119.6617 56.4045 32.2438 173.8112 10 T 4.9064 8.4875 116.9424 61.0933 72.2402 168.0263 11 V 4.3672 9.2970 126.4512 61.2036 34.0525 174.1343 12 V 4.5227 8.3364 127.3412 60.9743 33.9656 174.6326 13 V 4.3421 7.9664 126.1868 61.1084 34.7407 173.7775 14 E 5.0147 8.3650 125.2537 55.0336 33.6574 174.8298 15 R 4.5716 8.7708 120.1873 55.5028 34.3562 173.4131 16 Q 4.6329 8.7785 127.2874 55.3694 29.9298 174.5567 17 I 4.4042 8.8369 128.4929 59.4105 39.3452 176.6259 18 S 4.8997 8.3592 123.2659 58.6520 63.1607 173.6067 19 H 4.9489 7.6671 114.9973 53.2369 33.0518 172.1395 20 P 4.4837 0.0000 0.0000 61.8763 32.1233 175.4171 21 P 4.2599 0.0000 0.0000 66.6127 30.8375 178.2729 22 E 4.1313 8.2298 119.2362 58.3795 28.9281 179.2678 23 K 4.0166 7.9803 119.2528 59.1319 32.3472 178.8285 24 L 3.8450 7.8308 120.2985 57.7542 42.3232 178.1580 25 W 4.2061 9.0105 129.2743 60.8542 30.5805 178.0518 26 R 3.9067 8.1804 117.4383 59.2895 29.3351 178.9408 27 A 4.0875 7.5210 118.4048 54.2941 18.3998 178.7363 28 L 4.3015 7.2602 115.8568 55.2932 42.2035 177.2307 29 T 3.9164 7.0787 105.9226 60.5220 69.9015 174.0821 30 Q 4.5722 7.6630 122.8897 53.8733 30.7498 173.8872 31 P 4.3234 0.0000 0.0000 66.2314 31.3403 178.2106 32 H 4.1771 8.1894 111.9218 58.3175 28.8242 177.0045 33 L 4.0902 7.3649 121.4168 57.3588 41.6842 178.8620 34 I 3.1969 8.1383 120.0926 64.2649 36.7809 177.9987 35 E 3.4521 7.8548 118.8163 59.1077 29.3381 178.5684 36 E 4.0931 7.6096 117.7829 58.7486 29.7022 177.9581 37 W 4.7510 7.7357 112.9609 56.5274 30.4731 176.0326 38 L 3.2935 7.5957 119.9847 54.9335 42.2188 177.0838 *40 K 4.1273 8.7738 115.6286 56.3693 34.3692 174.2070 41 N 5.5325 8.4458 121.7364 52.6283 39.7989 173.5008 42 D 4.9635 8.3737 117.3707 52.6158 39.8465 176.1396 43 F 3.0946 8.1658 120.7579 58.8879 40.2066 174.0039 44 K 3.9987 5.6984 125.6207 54.2179 35.3227 175.5290 45 P 4.4832 0.0000 0.0000 62.1320 29.8621 176.6006 46 A 4.5878 7.0018 120.9481 49.8297 22.2423 176.1634 47 V 3.9924 8.4664 123.2827 64.6283 31.9728 176.2589 48 G 4.0377 9.2569 116.1479 43.1591 0.0000 173.0811 49 H 4.3253 8.2808 121.2012 56.3872 30.7570 174.1721 50 R 5.1751 8.3243 124.8934 54.9979 31.9897 175.3349 51 F 4.8398 8.5654 117.2712 56.3388 42.1539 172.2150 52 N 5.2364 10.1240 115.2069 51.4482 43.1072 173.9295 53 I 4.9249 7.9670 121.0504 59.5912 40.0096 175.0134 54 S 4.8756 8.9140 120.9408 56.4810 66.5195 173.0605 55 A 4.5785 7.9414 121.9947 49.8411 21.2334 177.7610 56 D 4.2625 8.6859 119.2740 56.5531 41.0177 177.7285 57 W 4.5766 7.2624 114.0740 55.9442 28.7215 176.2012 58 G 3.9702 7.7430 108.5431 45.8219 0.0000 175.1490 59 G 3.2935 6.1478 106.7957 46.6038 0.0000 172.9658 60 V 4.8097 7.7902 120.1043 60.1846 34.5389 173.1841 61 L 4.8153 8.8310 121.9934 53.0488 45.6399 174.9467 62 D 5.0366 8.9872 121.9010 52.9348 43.0479 175.4547 63 C 5.0657 8.4510 119.7885 58.0006 33.1730 172.6067 64 E 5.1450 9.0080 120.7863 54.4772 33.3406 174.5426 65 V 4.1214 9.3292 127.5896 63.4967 32.0971 176.0365 66 L 4.5328 9.3267 128.1672 56.3539 43.1256 177.0766 67 A 4.8567 7.9225 118.7573 50.3828 22.9809 175.3358 68 V 4.9503 8.5290 120.3584 61.5832 34.5197 174.7782 69 E 4.5531 9.8162 129.6589 53.4125 31.1609 171.1477 70 P 2.9700 0.0000 0.0000 61.9732 31.2869 176.0007 71 N 4.0119 5.7700 118.7695 53.5752 36.7730 174.7491 72 K 4.4555 7.8886 116.7843 57.7684 35.2250 176.3721 73 T 5.4362 7.7698 114.9647 61.9716 73.2851 172.5976 74 L 5.4901 9.3612 126.9324 53.8137 45.7315 174.8512 75 S 5.2994 9.4277 120.2713 57.1665 66.4137 171.9719 76 Y 5.5862 8.4354 122.2693 56.1224 41.5304 174.0575 77 T 4.7326 8.8064 111.9412 62.1600 70.2531 174.9428 78 W 5.1124 8.7449 131.5919 56.7732 32.3427 172.6493 79 N 5.4823 9.2606 122.8485 51.0681 43.0793 172.9528 80 L 4.7607 8.7788 121.2443 54.0657 45.7375 174.1014 81 A 4.8080 8.6802 128.9189 51.6811 18.3051 175.8718 82 H 4.7216 9.4739 121.9101 54.6699 33.3011 174.1958 83 Q 4.1842 8.9282 126.3158 58.9589 29.2318 176.1044 84 D 4.7024 8.1486 118.8343 52.4667 41.3575 174.8860 85 P 4.2314 0.0000 0.0000 65.6769 31.2881 178.3322 86 A 3.9800 8.3965 121.0491 53.7074 18.2506 177.7911 87 F 4.8100 7.9088 112.1307 57.6510 40.2335 177.0740 88 D 4.9961 7.5851 119.4986 52.8617 39.3523 173.9287 89 L 4.5268 8.1085 124.4609 53.8969 44.3065 175.0574 90 R 5.2195 8.4755 124.0036 54.6635 33.9693 174.2949 91 S 4.7659 9.6187 118.0119 57.3680 67.3345 172.9346 92 V 4.8606 8.7355 119.8194 61.1054 34.6798 174.3886 93 V 4.5432 8.5700 120.3050 59.7262 34.4108 174.7323 94 T 4.9016 8.1903 121.8091 61.7028 71.7547 173.3166 95 F 4.9830 9.5881 125.8868 56.2546 41.5568 175.0335 96 T 5.1349 9.0838 119.7042 61.8833 71.8015 172.6890 97 L 5.2013 9.2267 127.3487 53.3465 43.7995 176.2742 98 T 4.5827 9.1148 120.4585 60.9136 71.3590 171.9227 99 P 4.9075 0.0000 0.0000 63.0046 32.2352 175.9683 100 T 4.7432 8.9025 112.2450 59.2198 72.2084 173.0414 101 P 4.2394 0.0000 0.0000 65.6436 31.2756 177.8953 102 T 4.4047 7.8844 105.5220 61.3417 71.0668 175.9343 103 G 4.4009 6.6128 113.3042 46.5572 0.0000 175.4503 104 T 5.0315 7.7827 121.5426 61.9004 73.2806 170.9830 105 H 5.1224 9.7796 127.0994 54.8995 31.7259 173.3183 106 L 5.1833 8.8217 127.9842 53.5100 44.7978 175.1254 107 R 5.5225 8.4876 126.5514 53.5309 34.1733 173.0459 *109 E 4.2198 8.5124 116.8231 56.3619 31.2455 174.7883 110 Q 4.8383 8.7951 126.7223 54.5835 31.1799 174.3816 111 S 5.0283 9.0224 123.0714 57.4910 66.1375 174.5591 112 G 3.8316 8.0375 108.6023 45.8869 0.0000 174.6056 113 F 4.4863 7.8441 119.8957 57.5213 39.6875 175.1473 114 R 4.5821 9.0522 124.4105 54.0337 31.5947 175.7919 115 P 4.2036 0.0000 0.0000 65.6045 31.0574 177.1016 116 D 4.7587 8.0579 115.9661 53.3655 39.9197 176.4253 117 Q 4.5237 8.1693 118.8596 55.1746 29.6617 177.6136 118 R 3.9848 8.0935 118.8817 59.2258 30.2518 178.4178 119 R 3.9317 8.0176 117.9053 59.5421 30.1289 178.3065 120 A 4.1445 8.0344 119.9019 55.2201 18.5589 178.6561 121 Y 2.8179 8.2818 118.3985 60.5425 38.6471 178.6936 122 G 3.4859 8.4820 105.8042 47.6863 0.0000 175.5641 123 G 3.7193 8.1852 107.2305 47.3000 0.0000 175.4040 124 A 4.2474 7.7323 123.0964 54.8375 18.1611 179.9514 125 K 3.9082 7.1451 112.9287 57.1390 32.0747 178.3872 *127 G 3.5823 8.0408 110.8355 45.2553 0.0000 175.7887 128 W 4.5116 8.0266 120.1031 59.3632 29.0097 176.6824 129 P 4.3076 0.0000 0.0000 65.7879 30.6715 178.6950 130 Q 4.0670 7.9531 116.3084 58.9638 28.7254 178.4682 131 F 5.0311 8.4650 119.2710 60.8920 38.9906 177.7827 132 F 4.0427 9.4633 117.9289 60.4030 38.6531 177.1655 133 E 4.0197 8.6324 119.0266 59.5751 29.4892 179.1897 134 K 4.0859 8.4538 118.2777 59.1737 31.9753 179.2664 135 L 3.7891 7.9178 120.8135 58.1545 41.9697 178.8199 136 E 3.9053 8.5152 118.9588 59.5848 29.1634 179.4014 137 Q 4.0391 8.2375 117.4051 58.6639 28.7822 178.4551 138 L 4.1139 7.6776 120.5760 58.3383 42.3432 178.8953 139 L 3.9812 7.8314 117.4242 57.3654 41.5089 177.5221 140 D 4.7072 8.0703 122.7439 54.4915 41.0705 176.0485 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 9 R 8.11 4.42 0.00 1.65 1.60 0.00 2.95 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 10 T 8.49 4.91 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 1.26 0.00 0.00 11 V 9.30 4.37 2.18 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 0.94 0.00 0.00 0.72 0.00 0.00 12 V 8.34 4.52 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 0.76 0.00 0.00 0.89 0.00 0.00 13 V 7.97 4.34 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 0.06 0.00 0.00 0.72 0.00 0.00 14 E 8.36 5.01 0.00 1.82 1.77 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 2.17 2.22 0.00 15 R 8.77 4.57 0.00 2.07 1.96 0.00 3.43 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 Q 8.78 4.63 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 17 I 8.84 4.40 1.97 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 1.21 0.81 0.96 0.00 0.00 18 S 8.36 4.90 0.00 3.72 3.77 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 19 H 7.67 4.95 0.00 3.07 3.13 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.48 0.00 2.40 2.19 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 21 P 0.00 4.26 0.00 2.27 2.38 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 22 E 8.23 4.13 0.00 2.10 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 2.40 2.28 0.00 23 K 7.98 4.02 0.00 1.81 1.94 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.43 7.81 24 L 7.83 3.85 0.00 1.75 1.76 0.85 0.67 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 25 W 9.01 4.21 0.00 3.49 3.27 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 26 R 8.18 3.91 0.00 1.93 1.98 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.08 0.00 27 A 7.52 4.09 1.23 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 0.00 0.00 0.00 28 L 7.26 4.30 0.00 1.24 1.10 0.50 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.08 3.92 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 0.12 0.00 0.00 30 Q 7.66 4.57 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 31 P 0.00 4.32 0.00 2.15 2.09 0.00 3.63 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.36 0.00 32 H 8.19 4.18 0.00 3.29 3.38 0.00 5.52 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.36 4.09 0.00 1.74 1.87 0.64 0.73 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 34 I 8.14 3.20 1.70 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.28 0.00 0.00 35 E 7.85 3.45 0.00 1.93 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 2.23 2.33 0.00 36 E 7.61 4.09 0.00 2.23 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 0.00 2.59 2.47 0.00 37 W 7.74 4.75 0.00 3.77 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 38 L 7.60 3.29 0.00 0.27 0.62 0.65 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 *40 K 8.77 4.13 0.00 1.83 1.61 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.31 7.81 41 N 8.45 5.53 0.00 2.73 2.61 0.00 0.00 6.18 8.06 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 42 D 8.37 4.96 0.00 2.77 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 43 F 8.17 3.09 0.00 2.32 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 44 K 5.70 4.00 0.00 1.14 0.74 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.99 1.20 7.81 45 P 0.00 4.48 0.00 2.15 2.21 0.00 3.54 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 2.12 2.47 0.00 46 A 7.00 4.59 1.13 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 47 V 8.47 3.99 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 0.93 0.00 0.00 1.01 0.00 0.00 48 G 9.26 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 49 H 8.28 4.33 0.00 3.18 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.32 5.18 0.00 1.67 1.76 0.00 3.27 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 51 F 8.57 4.84 0.00 3.40 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 52 N 10.12 5.24 0.00 2.55 2.60 0.00 0.00 7.23 7.37 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 53 I 7.97 4.92 1.40 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.52 0.55 0.00 0.00 54 S 8.91 4.88 0.00 3.63 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 55 A 7.94 4.58 0.33 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 56 D 8.69 4.26 0.00 2.73 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 57 W 7.26 4.58 0.00 3.53 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 58 G 7.74 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 59 G 6.15 3.29 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 0.00 60 V 7.79 4.81 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 0.56 0.00 0.00 0.81 0.00 0.00 61 L 8.83 4.82 0.00 1.03 1.09 -0.60 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.99 5.04 0.00 2.47 2.45 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 63 C 8.45 5.07 0.00 1.23 2.63 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 64 E 9.01 5.15 0.00 2.01 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 2.29 2.47 0.00 65 V 9.33 4.12 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 0.87 0.00 0.00 0.97 0.00 0.00 66 L 9.33 4.53 0.00 1.80 1.79 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.92 4.86 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 68 V 8.53 4.95 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 1.17 0.00 0.00 1.12 0.00 0.00 69 E 9.82 4.55 0.00 2.06 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 2.12 2.25 0.00 70 P 0.00 2.97 0.00 1.79 1.60 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 71 N 5.77 4.01 0.00 2.61 2.74 0.00 0.00 6.88 7.64 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 72 K 7.89 4.46 0.00 1.75 1.75 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.39 7.81 73 T 7.77 5.44 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 1.36 0.00 0.00 74 L 9.36 5.49 0.00 1.81 1.68 1.37 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.43 5.30 0.00 3.95 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 76 Y 8.44 5.59 0.00 3.47 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 77 T 8.81 4.73 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 1.29 0.00 0.00 78 W 8.74 5.11 0.00 3.63 2.97 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 79 N 9.26 5.48 0.00 2.65 2.87 0.00 0.00 6.33 6.36 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 80 L 8.78 4.76 0.00 1.75 1.56 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.68 4.81 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 82 H 9.47 4.72 0.00 3.29 3.22 0.00 5.61 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 83 Q 8.93 4.18 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 84 D 8.15 4.70 0.00 3.10 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 85 P 0.00 4.23 0.00 2.26 2.34 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 86 A 8.40 3.98 0.94 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 87 F 7.91 4.81 0.00 2.78 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 88 D 7.59 5.00 0.00 3.19 2.67 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 89 L 8.11 4.53 0.00 1.99 1.66 0.92 1.23 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 90 R 8.48 5.22 0.00 1.71 1.78 0.00 3.36 0.00 0.00 3.42 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 91 S 9.62 4.77 0.00 3.67 3.56 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 92 V 8.74 4.86 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 1.03 0.00 0.00 0.94 0.00 0.00 93 V 8.57 4.54 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 0.37 0.00 0.00 0.65 0.00 0.00 94 T 8.19 4.90 4.09 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 1.20 0.00 0.00 95 F 9.59 4.98 0.00 3.05 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 96 T 9.08 5.13 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 1.26 0.00 0.00 97 L 9.23 5.20 0.00 1.66 1.65 1.16 1.07 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 98 T 9.11 4.58 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 1.22 0.00 0.00 99 P 0.00 4.91 0.00 1.93 1.98 0.00 3.63 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 2.01 2.08 0.00 100 T 8.90 4.74 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 1.27 0.00 0.00 101 P 0.00 4.24 0.00 2.06 2.17 0.00 3.67 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 2.03 2.08 0.00 102 T 7.88 4.40 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 1.21 0.00 0.00 103 G 6.61 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 0.00 0.00 0.00 104 T 7.78 5.03 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 1.29 0.00 0.00 105 H 9.78 5.12 0.00 3.17 3.29 0.00 5.52 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.82 5.18 0.00 1.72 1.47 1.06 0.16 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 0.00 107 R 8.49 5.52 0.00 1.94 1.79 0.00 3.19 0.00 0.00 3.39 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.36 0.00 *109 E 8.51 4.22 0.00 1.83 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 2.19 2.22 0.00 110 Q 8.80 4.84 0.00 1.82 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 111 S 9.02 5.03 0.00 3.70 3.68 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 0.00 112 G 8.04 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 0.00 0.00 0.00 113 F 7.84 4.49 0.00 3.11 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 0.00 114 R 9.05 4.58 0.00 1.98 1.96 0.00 3.15 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 115 P 0.00 4.20 0.00 2.01 2.09 0.00 3.66 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 2.01 2.05 0.00 116 D 8.06 4.76 0.00 2.86 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 0.00 117 Q 8.17 4.52 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 118 R 8.09 3.98 0.00 1.86 2.03 0.00 3.13 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 119 R 8.02 3.93 0.00 1.92 1.91 0.00 3.29 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 120 A 8.03 4.14 1.73 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 0.00 121 Y 8.28 2.82 0.00 2.77 2.98 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 0.00 122 G 8.48 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.19 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 0.00 124 A 7.73 4.25 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 0.00 125 K 7.15 3.91 0.00 1.46 1.64 0.00 1.12 0.00 0.00 1.42 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.09 0.77 7.81 *127 G 8.04 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 W 8.03 4.51 0.00 3.51 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 0.00 129 P 0.00 4.31 0.00 2.13 2.08 0.00 3.51 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 130 Q 7.95 4.07 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 131 F 8.46 5.03 0.00 3.70 3.65 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 0.00 132 F 9.46 4.04 0.00 3.32 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 0.00 133 E 8.63 4.02 0.00 2.29 2.27 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 2.37 2.61 0.00 134 K 8.45 4.09 0.00 2.33 2.08 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.61 1.81 7.81 135 L 7.92 3.79 0.00 0.99 1.45 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.52 3.91 0.00 2.18 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 2.31 2.52 0.00 137 Q 8.24 4.04 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 138 L 7.68 4.11 0.00 1.82 1.96 0.96 1.04 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 0.00 139 L 7.83 3.98 0.00 1.59 1.20 0.78 1.06 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 0.00 140 D 8.07 4.71 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.