NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 3.3285 8.1133 120.7237 56.3816 32.1757 177.5577 3 T 3.5432 7.5859 114.1926 65.5465 68.3979 174.6625 4 L 3.9516 8.5442 122.9970 58.3232 42.4182 178.4921 5 L 4.1505 7.7845 118.1390 57.9562 41.6422 179.4278 6 I 3.0211 7.6419 119.5665 64.2873 36.9110 178.7343 7 R 3.9466 8.1247 118.9281 59.3894 29.9172 178.2475 8 Y 2.9252 8.3477 119.6255 60.4451 38.5211 178.0210 9 I 3.1398 7.6170 119.8322 64.3817 37.6033 178.0695 10 L 3.5927 7.7636 119.4297 57.3755 41.4136 179.4602 11 W 4.2627 8.3101 128.5005 60.3955 30.8748 177.7449 12 R 3.1815 8.2541 118.0387 57.9249 29.1044 177.0815 13 N 5.0243 7.9807 117.4574 53.7795 39.4857 175.1685 14 D 4.7281 7.5069 116.0701 51.7843 41.0216 175.5068 15 N 3.4651 8.3737 116.9447 53.9375 38.3833 172.8406 16 D 4.5058 8.1372 116.3727 54.3066 41.5647 176.6903 17 Q 4.2797 9.2085 128.9043 59.5202 29.2240 178.5433 18 T 3.7430 8.3622 107.1735 64.0884 68.6832 174.3565 19 Y 4.7000 7.7229 117.9495 57.8021 38.2742 174.9930 20 Y 3.8872 8.0402 122.1354 57.0049 39.9987 174.0134 21 N 4.0046 5.7700 120.3551 50.8033 41.9262 175.0074 22 D 4.7222 8.1399 126.8839 56.4466 40.7013 178.7716 23 D 4.4733 8.9516 120.4769 57.0112 40.2012 178.3893 24 F 4.3327 7.9895 119.0664 60.2332 38.5198 176.9499 25 K 3.9467 7.6853 118.6568 60.0090 31.9621 178.2602 26 K 4.0548 7.5369 115.8932 59.1619 32.4517 180.2610 27 L 4.0420 7.3857 119.5751 54.2907 40.6765 179.2840 *29 L 4.3138 8.0656 120.1439 54.8696 43.7741 179.3695 30 L 4.0808 7.8838 118.1464 57.2980 41.3082 178.8680 31 D 4.4749 8.3451 118.9353 57.7834 40.4660 178.3817 32 E 3.9771 7.7955 117.5997 59.5284 29.6415 178.5157 33 L 4.1772 7.9199 115.4564 55.7065 41.7543 176.8308 34 V 4.3233 7.7072 119.5567 60.5494 33.1976 174.4095 35 D 4.4951 8.5841 127.0291 53.9817 41.7445 176.3010 36 D 4.6766 8.8378 125.9297 55.8071 40.6615 178.7595 37 G 3.5675 8.0701 108.8088 47.2676 0.0000 175.5727 38 D 4.3599 8.0526 121.6816 56.9224 40.8937 178.7789 39 V 3.5347 7.8297 117.9662 66.3010 31.4601 177.6024 40 S 4.0859 7.9934 112.4997 61.7997 62.0961 176.0726 41 T 3.8124 8.1486 118.4227 66.6872 68.0203 175.7224 42 L 3.8645 8.0805 121.1271 58.7378 42.1126 178.5959 43 I 3.7916 7.9579 118.7881 64.5015 37.1924 177.9424 44 K 4.1140 7.7919 118.9065 59.3822 32.2205 180.3116 45 N 4.5485 7.9816 115.9344 52.8391 39.0022 175.4931 *47 R 4.0226 8.0528 116.4528 56.4128 31.5880 177.4226 *49 T 4.0883 7.9273 107.0149 60.1131 71.1064 173.0841 50 L 3.5749 7.1003 121.0199 54.8143 39.3855 173.2952 51 S 4.4964 7.2070 109.3057 57.4438 65.8971 175.6073 52 D 4.1550 9.0816 121.2551 57.8877 41.2432 181.4430 53 G 3.0689 7.8120 98.4291 42.7646 0.0000 174.9105 54 P 4.2110 0.0000 0.0000 65.3567 32.2008 177.6861 55 L 3.9207 7.7584 118.1528 58.1584 41.8691 178.6914 56 L 3.9175 7.6452 117.7762 57.8205 41.7712 179.0581 57 D 4.4591 8.0552 118.7587 57.4567 40.8797 178.7704 58 R 4.0516 8.0206 119.1071 59.4488 29.8420 178.3555 59 L 4.1639 7.9800 117.4726 56.8106 41.7146 178.0736 60 N 4.6857 7.8577 114.7627 52.8120 39.0447 175.1822 61 Q 4.2197 7.1330 119.3014 55.0256 29.4845 174.3244 62 P 4.4700 0.0000 0.0000 62.3894 32.0456 176.8637 63 V 4.3084 8.0732 118.8514 61.8588 32.8743 174.6203 64 N 5.0052 9.9677 125.3189 52.8179 39.3229 174.8259 65 N 4.9354 7.3060 116.5527 51.7329 40.8864 174.9212 66 I 3.2276 8.2571 120.6011 63.9454 37.9408 177.6040 67 E 3.8650 8.1062 119.9481 59.0821 29.3380 177.9531 68 D 4.3081 8.7441 118.0796 57.4747 41.0182 178.3418 69 A 4.0604 7.2532 119.3100 55.4466 18.6182 179.2616 70 K 4.0405 8.2073 116.8112 59.6387 32.1060 180.1270 71 R 4.2177 7.9221 116.8731 56.7785 29.8469 178.2555 *73 I 4.1641 7.8054 119.3389 60.9261 39.4194 177.9275 74 A 4.0634 8.2710 121.9416 55.3802 18.2468 179.5353 75 I 3.6446 8.4035 117.3787 64.2508 37.9637 178.3492 76 S 4.1445 8.0749 115.4254 61.4515 62.8129 176.1707 77 A 3.7566 8.3372 123.8314 55.2016 18.0982 179.9268 78 K 3.9452 8.4263 117.3447 59.3035 32.0308 179.8560 79 V 3.5454 7.9395 118.3839 66.0455 31.6162 177.7189 80 A 4.2034 8.4702 120.8985 55.4493 17.7424 179.5597 81 R 4.2506 7.7204 118.2636 59.3440 30.1153 178.4919 82 D 4.4169 8.3512 117.7747 56.5686 40.9280 178.2678 83 I 3.8351 7.8966 119.6228 62.4298 38.3655 175.6224 84 G 4.1795 6.6854 106.5679 44.0884 0.0000 173.5724 85 E 4.4385 8.5375 121.4429 57.3595 30.0314 177.5509 86 R 4.1860 7.8549 115.2170 56.8106 30.5138 176.4002 87 S 4.2246 7.8452 115.2770 58.3766 62.7722 175.0090 88 E 4.2582 8.5238 126.6737 55.6089 27.1731 174.5860 89 I 4.0627 7.2914 121.3137 59.1058 39.5601 177.7594 90 R 4.2452 7.8919 126.1054 54.2490 28.1130 176.8298 91 W 3.9313 8.1069 123.7875 59.5314 29.3798 177.2826 92 E 4.2649 8.3771 118.0686 59.5619 28.8853 179.0797 93 E 4.0393 8.0141 118.0378 59.6216 29.5027 179.5247 94 S 4.0033 7.7662 114.5288 61.7220 62.8843 176.7388 95 F 4.0207 7.9079 120.4292 60.5396 38.3346 177.8676 96 T 3.9645 7.7267 114.7419 66.7051 68.7126 176.4867 97 I 3.8447 7.6908 121.5022 64.2962 36.9888 177.9139 98 L 3.9465 7.7717 120.0306 58.6977 42.0999 178.9900 99 F 4.9484 8.3771 117.5366 60.1536 38.5761 177.9533 100 R 4.0694 7.5324 114.4382 57.1748 29.8881 177.0894 *102 I 4.2693 7.6721 110.0573 59.4965 39.7911 176.5477 103 E 2.0000 8.3467 123.1771 59.6594 28.9631 178.7552 104 T 3.7875 7.6254 110.9839 64.5984 67.3304 174.5929 105 Y 4.5171 8.1318 117.6227 58.0349 37.7776 177.0194 106 F 4.6865 7.7790 119.4798 61.0686 39.1316 176.5625 107 D 4.6753 8.3415 117.1551 58.1250 41.0383 178.8824 108 D 4.6354 8.2052 118.3002 56.9801 40.7799 178.9425 109 L 4.3264 8.3053 118.2361 55.1394 41.0195 179.2405 *111 I 4.1027 7.6982 120.4357 61.5606 38.9220 177.7125 112 D 4.0949 8.4605 118.3886 56.6577 41.1775 177.0348 113 L 4.1232 7.9079 117.7094 55.5466 42.6897 175.3271 114 Y 4.6671 7.0332 114.0705 56.4556 41.3169 175.5327 *115 G 3.7274 8.6610 109.2467 46.6964 0.0000 172.7176 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 R 8.11 3.33 0.00 1.54 1.72 0.00 3.08 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.00 3 T 7.59 3.54 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 1.15 0.00 0.00 4 L 8.54 3.95 0.00 1.66 1.57 1.07 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.78 4.15 0.00 1.93 2.03 1.08 1.03 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 6 I 7.64 3.02 1.81 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 0.29 0.72 0.65 0.00 0.00 7 R 8.12 3.95 0.00 2.12 2.27 0.00 3.29 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 1.74 1.66 0.00 8 Y 8.35 2.93 0.00 2.52 3.02 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 9 I 7.62 3.14 1.96 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 1.75 1.21 0.51 0.00 0.00 10 L 7.76 3.59 0.00 1.78 1.55 0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.31 4.26 0.00 3.64 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 12 R 8.25 3.18 0.00 1.42 1.50 0.00 3.02 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 13 N 7.98 5.02 0.00 2.38 2.59 0.00 0.00 6.98 8.08 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 14 D 7.51 4.73 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.37 3.47 0.00 2.57 2.84 0.00 0.00 7.08 8.37 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 16 D 8.14 4.51 0.00 3.06 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 17 Q 9.21 4.28 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 18 T 8.36 3.74 3.99 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 0.00 0.00 1.25 0.00 0.00 19 Y 7.72 4.70 0.00 3.32 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 20 Y 8.04 3.89 0.00 2.85 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 21 N 5.77 4.00 0.00 2.04 1.42 0.00 0.00 6.93 8.49 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 22 D 8.14 4.72 0.00 2.64 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 23 D 8.95 4.47 0.00 2.42 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 4.33 0.00 2.57 3.13 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 25 K 7.69 3.95 0.00 2.04 1.88 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.27 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.63 7.81 26 K 7.54 4.05 0.00 1.74 1.47 0.00 1.75 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.46 7.81 27 L 7.39 4.04 0.00 1.05 0.85 0.58 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 *29 L 8.07 4.31 0.00 2.04 1.74 1.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.88 4.08 0.00 1.86 1.77 0.96 0.90 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 31 D 8.35 4.47 0.00 2.82 2.80 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 32 E 7.80 3.98 0.00 1.89 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 2.37 2.44 0.00 33 L 7.92 4.18 0.00 1.64 1.72 0.97 0.72 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 34 V 7.71 4.32 2.22 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 0.78 0.00 0.00 1.01 0.00 0.00 35 D 8.58 4.50 0.00 2.80 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 36 D 8.84 4.68 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 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 38 D 8.05 4.36 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 3.53 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 1.09 0.00 0.00 0.94 0.00 0.00 40 S 7.99 4.09 0.00 4.01 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 41 T 8.15 3.81 4.43 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 0.00 0.00 0.00 1.20 0.00 0.00 42 L 8.08 3.86 0.00 1.77 1.90 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.96 3.79 2.02 0.00 0.00 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 1.58 0.91 0.90 0.00 0.00 44 K 7.79 4.11 0.00 1.85 2.02 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 45 N 7.98 4.55 0.00 2.82 2.80 0.00 0.00 7.09 7.51 0.00 0.00 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 R 8.05 4.02 0.00 1.87 1.96 0.00 3.14 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 *49 T 7.93 4.09 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 1.23 0.00 0.00 50 L 7.10 3.57 0.00 1.89 1.70 0.89 0.75 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 51 S 7.21 4.50 0.00 3.84 3.87 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 52 D 9.08 4.15 0.00 2.67 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 53 G 7.81 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 0.00 0.00 0.00 54 P 0.00 4.21 0.00 2.12 2.11 0.00 3.64 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 1.98 2.14 0.00 55 L 7.76 3.92 0.00 1.68 1.74 0.91 0.50 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 56 L 7.65 3.92 0.00 1.81 1.67 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.06 4.46 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 4.05 0.00 1.84 1.92 0.00 3.25 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 59 L 7.98 4.16 0.00 1.77 1.70 0.89 0.91 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 60 N 7.86 4.69 0.00 2.91 2.85 0.00 0.00 7.00 7.30 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 61 Q 7.13 4.22 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 62 P 0.00 4.47 0.00 2.05 1.99 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 63 V 8.07 4.31 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 0.62 0.00 0.00 0.93 0.00 0.00 64 N 9.97 5.01 0.00 2.63 2.86 0.00 0.00 6.86 7.88 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 65 N 7.31 4.94 0.00 2.96 2.91 0.00 0.00 6.36 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 66 I 8.26 3.23 2.00 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 1.51 1.70 0.92 0.00 0.00 67 E 8.11 3.87 0.00 2.11 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 2.37 2.44 0.00 68 D 8.74 4.31 0.00 2.75 2.65 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 69 A 7.25 4.06 1.07 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 0.00 0.00 70 K 8.21 4.04 0.00 1.92 1.90 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.71 7.81 71 R 7.92 4.22 0.00 2.09 1.91 0.00 3.12 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 *73 I 7.81 4.16 2.14 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 1.13 0.00 0.00 74 A 8.27 4.06 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 75 I 8.40 3.64 1.89 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 1.53 1.21 1.01 0.00 0.00 76 S 8.07 4.14 0.00 4.14 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 0.00 77 A 8.34 3.76 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 78 K 8.43 3.95 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.47 7.81 79 V 7.94 3.55 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 1.13 0.00 0.00 1.01 0.00 0.00 80 A 8.47 4.20 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 81 R 7.72 4.25 0.00 1.83 2.05 0.00 3.09 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 82 D 8.35 4.42 0.00 2.64 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 83 I 7.90 3.84 2.00 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 1.42 0.62 1.10 0.00 0.00 84 G 6.69 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 85 E 8.54 4.44 0.00 2.03 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 2.29 2.28 0.00 86 R 7.85 4.19 0.00 1.85 1.96 0.00 3.27 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 87 S 7.85 4.22 0.00 3.88 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 88 E 8.52 4.26 0.00 1.91 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 2.29 2.32 0.00 89 I 7.29 4.06 0.78 0.00 0.00 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 1.02 0.28 -0.50 0.00 0.00 90 R 7.89 4.25 0.00 1.69 1.88 0.00 3.34 0.00 0.00 3.37 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 91 W 8.11 3.93 0.00 3.39 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 92 E 8.38 4.26 0.00 2.12 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 0.00 2.50 2.63 0.00 93 E 8.01 4.04 0.00 2.01 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 0.00 2.30 2.30 0.00 94 S 7.77 4.00 0.00 3.64 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 95 F 7.91 4.02 0.00 3.23 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 96 T 7.73 3.96 4.47 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 1.26 0.00 0.00 97 I 7.69 3.84 1.96 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 1.40 1.27 0.91 0.00 0.00 98 L 7.77 3.95 0.00 1.57 1.71 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.38 4.95 0.00 3.22 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 0.00 100 R 7.53 4.07 0.00 2.12 2.09 0.00 3.32 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 *102 I 7.67 4.27 2.05 0.00 0.00 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 1.87 1.31 1.04 0.00 0.00 103 E 8.35 2.00 0.00 2.03 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 2.11 1.92 0.00 104 T 7.63 3.79 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 0.88 0.00 0.00 105 Y 8.13 4.52 0.00 3.14 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 0.00 106 F 7.78 4.69 0.00 3.05 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 0.00 107 D 8.34 4.68 0.00 2.69 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.21 4.64 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.31 4.33 0.00 2.10 1.78 1.18 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *111 I 7.70 4.10 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.94 0.00 0.00 112 D 8.46 4.09 0.00 2.76 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 0.00 113 L 7.91 4.12 0.00 1.43 0.36 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.03 4.67 0.00 2.77 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 *115 G 8.66 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 * Residues marked with a * may have inaccurate shift predictions.