NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3807 8.3349 115.4127 57.9045 64.2892 172.9159 3 K 4.2949 8.4411 121.7512 54.2614 33.7584 174.3101 4 I 4.1644 8.4160 125.8593 60.0558 39.0354 175.1575 5 F 4.6557 8.7758 127.8798 57.3473 39.8748 174.8680 6 N 4.0623 8.9906 125.2721 54.3978 39.4347 174.7387 7 E 3.8476 8.7922 127.5929 59.4740 29.8227 178.7564 8 E 3.9206 8.3892 118.6381 59.3202 29.4962 179.2439 9 L 3.5423 7.6972 118.2576 57.4167 41.5199 179.2832 10 A 3.7893 7.0898 120.5107 55.0216 18.4097 179.8970 11 V 3.5125 7.2879 116.3626 65.8395 31.6052 178.4023 12 I 3.0144 7.2286 119.5892 64.0483 36.7657 177.9047 13 E 3.7050 7.9598 119.8563 59.2625 29.3822 178.6183 14 A 3.8877 7.8873 120.4630 55.0607 17.9163 179.5669 15 A 3.8306 7.7281 118.6888 55.1253 18.5753 179.5912 16 A 3.1865 7.4770 119.1915 55.2930 18.3372 180.0529 17 I 3.3160 7.7867 118.0764 63.9489 37.0241 178.4546 18 A 3.9414 8.0856 122.1285 55.2051 18.0984 178.9176 19 Y 3.9014 7.5961 117.2997 61.0035 39.0107 178.3783 20 L 3.8775 7.8473 119.8254 57.8871 41.6345 179.6891 21 T 3.9999 7.9630 109.4471 64.4824 68.9474 176.6741 22 A 3.8642 7.8357 123.6920 54.8976 18.2530 179.4323 23 F 3.7339 8.0949 119.3448 61.3237 39.2376 176.8354 24 N 4.4837 7.8970 114.7538 55.8496 38.9010 176.2052 25 R 4.0303 7.9324 117.2609 55.5642 30.7474 175.7430 26 A 2.5800 7.3584 121.1304 52.5569 16.6031 178.2872 27 D 4.5085 7.5432 120.9778 53.8173 41.4839 175.5245 28 I 3.7313 7.8740 128.1531 63.8681 37.4198 176.3718 29 P 4.2884 0.0000 0.0000 65.4899 30.9295 178.5552 30 A 4.0201 8.0491 119.0009 54.8058 18.5598 179.6358 31 V 3.6596 7.9242 116.9448 66.3532 31.6628 178.2126 32 I 3.8695 8.1769 119.6991 64.5584 36.7936 178.1420 33 A 4.2436 7.9681 120.0023 54.3913 18.4916 178.4198 34 T 4.0859 8.1035 107.2007 63.1073 69.4985 174.1256 35 Y 5.0190 7.7483 120.3831 56.2601 39.3490 175.4385 36 T 4.1683 8.4753 113.1081 61.6438 69.2697 175.1779 37 D 4.4504 8.7451 121.5171 56.6537 40.9664 177.5898 38 D 4.8222 7.9040 117.4844 52.6788 40.1442 176.5783 39 G 4.0337 7.8825 106.7541 47.4415 0.0000 173.3371 40 V 4.9917 8.7975 121.3119 60.8792 34.8341 174.7199 41 L 5.2344 8.4723 129.5347 53.3240 45.6461 174.7404 *43 G 4.0500 8.3073 105.8115 45.0198 0.0000 170.8893 44 P 4.5303 0.0000 0.0000 63.5417 31.8455 177.5548 45 G 4.0313 9.5837 109.5053 45.6564 0.0000 173.4768 46 R 4.6447 7.3351 116.2751 53.5101 34.2160 173.3454 47 P 4.4235 0.0000 0.0000 61.8847 32.2280 175.7631 48 A 4.2403 8.4280 120.5124 52.7776 19.0614 176.7848 49 A 4.5855 8.7844 124.2652 50.5521 20.7548 176.1233 50 V 4.4757 9.4425 124.0848 63.0591 33.0577 176.7384 51 G 4.1153 9.2933 113.7906 45.4600 0.0000 174.1133 52 K 3.9053 8.5155 118.9343 59.2359 32.0076 179.5151 53 D 4.3480 8.0282 118.7299 57.5205 40.8578 178.5420 54 E 3.9601 8.0765 118.4888 59.2134 29.5471 179.0867 55 L 3.8336 8.1161 119.0376 57.7898 41.7386 179.4718 56 A 4.1583 8.2372 120.6010 55.3973 18.3605 179.4770 57 E 3.9617 8.1413 117.0285 59.5607 29.4395 179.9318 58 V 3.5272 7.7994 118.2473 66.1467 31.5332 177.7335 59 Y 3.9270 7.9519 116.5214 60.9545 37.7076 178.3150 60 L 4.1232 8.2450 121.3166 58.2778 42.0359 179.0546 61 S 4.1344 8.0154 112.7901 61.0950 62.2263 176.2232 62 V 3.5996 7.8874 121.1211 66.2514 31.1143 178.1121 63 F 4.7922 8.0097 115.6786 60.2267 38.8318 177.3994 64 E 4.1905 8.2484 118.0813 59.2258 29.4468 178.8048 65 T 4.2238 7.7042 115.6467 64.4213 69.1594 174.8341 66 V 4.7732 7.7624 118.9739 60.8548 34.8685 174.9312 67 G 4.1596 8.9037 114.7739 44.8178 0.0000 172.3203 68 F 5.5067 9.0271 123.9156 55.9665 41.3253 174.7456 69 D 4.9149 9.2125 121.9788 52.4065 44.2554 174.3125 *71 A 4.5008 8.5308 126.5657 52.0140 20.3097 174.7299 72 Y 5.3813 8.1272 117.8063 55.5091 41.4444 174.7792 73 E 4.6963 9.2519 120.6364 55.0905 33.4529 173.8089 74 I 4.3957 8.6892 128.3147 61.1294 37.4632 175.5439 75 K 4.5662 9.2908 127.2926 57.9378 33.6476 176.7517 76 E 4.7919 7.7874 114.9696 55.2307 32.8239 174.6820 77 V 4.5768 8.3268 120.7456 61.2269 34.3327 174.7099 78 V 4.1240 8.1904 128.0629 60.9336 34.4934 173.7019 79 Q 4.6230 8.5678 129.4525 55.2123 29.3709 175.0729 80 T 4.4393 8.9255 116.7983 62.7014 70.2895 174.1295 81 S 4.6299 7.8842 114.5652 56.6880 65.9820 174.2687 82 A 4.0714 8.8736 122.8614 55.1702 17.9426 178.2013 83 D 4.5361 8.2777 112.0116 53.5663 41.9717 175.2489 84 W 5.9607 8.4481 119.1757 55.4028 33.6954 174.0369 85 A 5.2341 9.4548 123.6776 51.0140 22.8274 174.9372 86 F 5.6051 9.2417 113.7478 55.1920 41.7800 174.0536 87 V 4.9500 8.9728 119.9924 61.1854 34.9267 173.9998 88 R 5.4731 9.2394 127.6851 54.7624 32.9382 174.5485 89 S 5.3783 9.3533 119.2940 57.0076 67.6204 172.2412 90 A 5.3788 9.2736 120.6798 50.4905 22.5656 175.2840 91 T 5.4235 9.2482 111.2291 60.1362 72.2337 172.7510 92 E 5.2234 9.0108 120.5598 54.0351 32.8103 176.7798 93 G 4.2950 8.0060 109.9258 46.9507 0.0000 172.3555 94 T 5.2298 8.6223 115.0828 59.6728 72.6746 172.6889 95 E 4.8723 9.2282 123.0246 54.8106 32.8310 174.2267 96 T 5.0046 8.8393 124.0668 61.6822 71.2991 173.2591 97 N 4.7116 8.7310 125.9024 53.3690 39.3766 175.9403 98 K 4.2335 9.1682 126.6520 59.2237 32.3844 178.8646 99 A 4.0945 8.3728 122.8095 55.1772 18.6180 178.6359 100 T 4.0686 8.7405 105.0064 62.1333 69.4513 176.3086 101 G 3.8577 8.5706 109.9475 44.8792 0.0000 173.3563 102 V 3.7159 7.4539 121.5040 62.8274 32.4348 174.8938 103 V 4.7579 8.3929 128.9234 62.1494 32.4062 175.0350 104 T 4.9258 8.9966 118.0495 58.8529 72.3420 171.6219 105 P 4.9997 0.0000 0.0000 63.2727 32.3158 175.3143 106 A 5.0703 9.3441 122.6442 50.8344 23.2837 175.0062 107 A 5.2291 8.3662 121.5569 51.0570 23.0710 175.1263 108 Y 5.3389 9.4156 119.1203 56.2931 43.3689 174.2322 109 Q 5.1487 9.0478 118.1975 54.6693 32.3408 174.0793 110 E 4.8765 9.3892 120.3529 54.4472 34.2713 174.2057 111 L 5.1533 8.3682 125.1927 53.3683 45.1334 174.7940 112 F 5.3951 9.7006 125.7620 55.9380 41.5463 174.6297 113 L 5.3097 9.4216 124.5351 53.5036 43.4320 175.4697 114 L 5.3979 9.4190 124.6891 52.9138 45.0259 175.4913 115 R 4.3226 8.7264 123.0303 53.8704 32.7853 174.3912 116 K 3.6334 7.2677 128.8458 55.6833 32.8199 177.0851 117 S 4.2468 8.4472 122.6345 57.0281 64.2723 174.8994 118 A 3.9199 8.2969 122.8200 54.8561 18.0610 178.3773 119 T 4.1669 7.8071 103.6468 61.5763 69.2932 175.5155 120 G 3.7135 8.0080 110.4341 45.4829 0.0000 173.2960 121 S 4.6295 7.6363 116.0675 56.7709 64.7349 173.5195 122 W 4.6713 8.6922 124.3165 56.5537 29.6669 175.6695 123 Q 4.8318 8.9622 122.6750 54.1744 33.1915 174.6384 124 T 4.5932 8.8254 118.4167 63.5329 69.1521 175.5409 125 A 4.3709 9.4751 129.5695 53.3801 20.3856 177.2874 126 R 5.3077 8.0558 113.0630 54.7872 34.6382 173.8352 127 Y 5.1630 9.1069 123.6802 56.0386 42.0508 173.8427 128 C 4.6272 8.1921 125.5936 57.6447 35.1550 172.4015 129 T 4.9025 8.0194 119.0050 60.2240 70.5332 172.2281 130 S 4.8686 8.5721 122.7048 56.1877 66.2052 173.1068 131 K 3.9026 8.5425 124.1436 56.2403 31.7889 176.6512 132 I 4.0590 8.4452 129.9585 64.1612 37.7385 176.7848 133 S 4.4866 7.2783 112.4702 56.9176 64.9817 173.9110 134 P 4.3854 0.0000 0.0000 62.9682 31.1483 176.3754 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 S 8.33 4.38 0.00 4.00 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 3 K 8.44 4.29 0.00 1.79 1.75 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.52 7.81 4 I 8.42 4.16 1.90 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 1.32 0.39 0.95 0.00 0.00 5 F 8.78 4.66 0.00 2.76 2.90 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 6 N 8.99 4.06 0.00 2.73 2.55 0.00 0.00 6.82 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 7 E 8.79 3.85 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 2.36 2.44 0.00 8 E 8.39 3.92 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 2.36 2.57 0.00 9 L 7.70 3.54 0.00 0.77 0.88 0.80 0.50 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 10 A 7.09 3.79 1.21 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 0.00 0.00 0.00 11 V 7.29 3.51 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 1.13 0.00 0.00 0.94 0.00 0.00 12 I 7.23 3.01 1.44 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.38 0.00 0.00 13 E 7.96 3.70 0.00 2.08 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 0.00 2.29 2.30 0.00 14 A 7.89 3.89 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 15 A 7.73 3.83 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 16 A 7.48 3.19 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 17 I 7.79 3.32 1.86 0.00 0.00 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 1.02 0.83 0.77 0.00 0.00 18 A 8.09 3.94 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 19 Y 7.60 3.90 0.00 3.01 3.23 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 20 L 7.85 3.88 0.00 1.49 1.48 0.60 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.96 4.00 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 1.34 0.00 0.00 22 A 7.84 3.86 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 23 F 8.09 3.73 0.00 2.36 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 24 N 7.90 4.48 0.00 3.04 2.91 0.00 0.00 7.31 7.41 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 25 R 7.93 4.03 0.00 1.86 1.83 0.00 3.31 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 26 A 7.36 2.58 0.46 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 27 D 7.54 4.51 0.00 2.56 2.56 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 28 I 7.87 3.73 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.54 1.05 0.00 0.00 29 P 0.00 4.29 0.00 2.15 2.10 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 30 A 8.05 4.02 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 31 V 7.92 3.66 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 0.45 0.00 0.00 0.73 0.00 0.00 32 I 8.18 3.87 1.93 0.00 0.00 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 1.71 0.86 0.97 0.00 0.00 33 A 7.97 4.24 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 34 T 8.10 4.09 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 1.27 0.00 0.00 35 Y 7.75 5.02 0.00 3.17 2.90 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 36 T 8.48 4.17 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 1.21 0.00 0.00 37 D 8.75 4.45 0.00 2.75 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 38 D 7.90 4.82 0.00 2.78 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 39 G 7.88 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 0.00 0.00 0.00 40 V 8.80 4.99 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 0.99 0.00 0.00 1.02 0.00 0.00 41 L 8.47 5.23 0.00 1.85 1.42 1.13 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *43 G 8.31 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 0.00 0.00 0.00 0.00 44 P 0.00 4.53 0.00 2.15 2.04 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 45 G 9.58 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 0.00 0.00 0.00 46 R 7.34 4.64 0.00 1.79 1.74 0.00 3.11 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 47 P 0.00 4.42 0.00 2.16 2.04 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 48 A 8.43 4.24 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 49 A 8.78 4.59 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 50 V 9.44 4.48 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 0.79 0.00 0.00 0.93 0.00 0.00 51 G 9.29 4.12 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 0.00 52 K 8.52 3.91 0.00 1.82 1.89 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.33 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.56 1.56 7.81 53 D 8.03 4.35 0.00 2.68 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 54 E 8.08 3.96 0.00 2.24 1.95 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 2.38 2.38 0.00 55 L 8.12 3.83 0.00 1.81 1.72 0.23 0.58 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 56 A 8.24 4.16 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 0.00 0.00 57 E 8.14 3.96 0.00 2.16 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 2.53 2.47 0.00 58 V 7.80 3.53 1.83 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 0.85 0.00 0.00 0.90 0.00 0.00 59 Y 7.95 3.93 0.00 3.17 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 60 L 8.25 4.12 0.00 2.01 1.90 1.02 0.71 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 61 S 8.02 4.13 0.00 3.93 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 0.00 62 V 7.89 3.60 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 1.13 0.00 0.00 0.91 0.00 0.00 63 F 8.01 4.79 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.19 0.00 2.23 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 2.39 2.51 0.00 65 T 7.70 4.22 4.38 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 1.22 0.00 0.00 66 V 7.76 4.77 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 -0.23 0.00 0.00 0.86 0.00 0.00 67 G 8.90 4.16 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 0.00 68 F 9.03 5.51 0.00 3.10 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 69 D 9.21 4.91 0.00 2.74 2.55 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 *71 A 8.53 4.50 1.26 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 0.00 0.00 0.00 72 Y 8.13 5.38 0.00 3.01 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 73 E 9.25 4.70 0.00 2.07 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 2.25 2.30 0.00 74 I 8.69 4.40 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.21 0.94 0.00 0.00 75 K 9.29 4.57 0.00 1.79 1.91 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.58 7.81 76 E 7.79 4.79 0.00 2.03 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 2.43 2.40 0.00 77 V 8.33 4.58 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 0.65 0.00 0.00 0.99 0.00 0.00 78 V 8.19 4.12 0.67 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 0.73 0.00 0.00 0.65 0.00 0.00 79 Q 8.57 4.62 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 80 T 8.93 4.44 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 1.46 0.00 0.00 81 S 7.88 4.63 0.00 4.12 4.12 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 82 A 8.87 4.07 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 83 D 8.28 4.54 0.00 2.64 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 0.00 0.00 0.00 84 W 8.45 5.96 0.00 3.33 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 85 A 9.45 5.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 9.24 5.61 0.00 3.25 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 87 V 8.97 4.95 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 0.88 0.00 0.00 0.72 0.00 0.00 88 R 9.24 5.47 0.00 2.10 1.87 0.00 3.14 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 89 S 9.35 5.38 0.00 4.21 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 90 A 9.27 5.38 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 91 T 9.25 5.42 4.41 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 1.43 0.00 0.00 92 E 9.01 5.22 0.00 2.01 1.99 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 2.27 2.33 0.00 93 G 8.01 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 0.00 0.00 0.00 0.00 94 T 8.62 5.23 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 1.26 0.00 0.00 95 E 9.23 4.87 0.00 2.07 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 1.94 1.69 0.00 96 T 8.84 5.00 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 1.20 0.00 0.00 97 N 8.73 4.71 0.00 2.78 2.68 0.00 0.00 6.87 6.67 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 98 K 9.17 4.23 0.00 1.78 1.86 0.00 2.02 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.39 7.81 99 A 8.37 4.09 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 0.00 100 T 8.74 4.07 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 1.23 0.00 0.00 101 G 8.57 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 0.00 102 V 7.45 3.72 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 0.89 0.00 0.00 0.93 0.00 0.00 103 V 8.39 4.76 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 0.88 0.00 0.00 0.98 0.00 0.00 104 T 9.00 4.93 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 1.22 0.00 0.00 105 P 0.00 5.00 0.00 2.12 2.12 0.00 3.75 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 2.00 1.99 0.00 106 A 9.34 5.07 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 0.00 107 A 8.37 5.23 1.20 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 0.00 0.00 108 Y 9.42 5.34 0.00 2.99 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 0.00 109 Q 9.05 5.15 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 110 E 9.39 4.88 0.00 2.02 1.55 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 2.28 2.17 0.00 111 L 8.37 5.15 0.00 1.65 1.35 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.70 5.40 0.00 3.01 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 0.00 113 L 9.42 5.31 0.00 1.97 1.93 1.01 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 114 L 9.42 5.40 0.00 1.73 1.90 0.89 0.38 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 0.00 115 R 8.73 4.32 0.00 0.92 1.27 0.00 2.74 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.50 0.00 116 K 7.27 3.63 0.00 0.79 0.86 0.00 1.59 0.00 0.00 0.89 0.00 0.00 2.81 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.85 0.47 7.81 117 S 8.45 4.25 0.00 3.88 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 0.00 118 A 8.30 3.92 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 0.00 119 T 7.81 4.17 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 1.17 0.00 0.00 120 G 8.01 3.71 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 0.00 0.00 0.00 121 S 7.64 4.63 0.00 3.74 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 0.00 122 W 8.69 4.67 0.00 3.13 3.09 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 0.00 123 Q 8.96 4.83 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 124 T 8.83 4.59 3.59 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 1.15 0.00 0.00 125 A 9.48 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.06 5.31 0.00 1.81 1.86 0.00 3.31 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 127 Y 9.11 5.16 0.00 2.63 2.91 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 0.00 0.00 0.00 128 C 8.19 4.63 0.00 2.84 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 0.00 129 T 8.02 4.90 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 1.10 0.00 0.00 130 S 8.57 4.87 0.00 3.92 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 0.00 131 K 8.54 3.90 0.00 1.60 1.60 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.14 0.32 7.81 132 I 8.45 4.06 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.89 0.00 0.00 133 S 7.28 4.49 0.00 3.90 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 0.00 134 P 0.00 4.39 0.00 2.05 1.99 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.