NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8480 8.4244 118.3683 52.3543 39.6566 173.5684 3 N 4.7295 8.1789 118.0963 52.4455 42.9449 171.3993 4 I 5.3280 8.3128 126.4675 59.6577 40.3157 174.4302 5 R 4.7677 9.0848 121.8029 54.5444 33.2810 173.9802 6 L 3.9496 8.4979 122.2474 55.5394 42.4230 176.4928 7 L 4.7181 8.5548 126.4694 54.2747 43.2256 176.1987 8 N 5.7925 8.4039 116.8951 50.6485 40.1748 174.7679 9 Q 3.9819 8.5581 114.9263 59.0994 29.2527 177.9697 10 N 4.2148 8.6343 115.8505 56.8704 38.7657 176.1103 11 D 4.7294 8.2408 115.4632 54.1863 40.7681 177.7207 12 L 3.9811 7.6500 122.8775 58.7280 41.8925 178.3958 13 D 4.3834 8.2224 117.7322 57.8420 40.7826 179.0178 14 S 4.2841 8.1588 114.5098 62.1433 62.7032 176.2395 15 Y 4.3601 7.9870 120.4555 60.6545 38.5486 177.9146 16 I 3.5660 7.7923 120.3913 64.1563 37.3113 177.3449 17 E 3.8327 8.4059 119.3161 59.1566 29.3901 179.9630 18 L 4.1133 7.9807 119.3439 55.2278 42.0716 178.2845 *20 K 4.0601 8.0438 116.4765 55.3305 33.9548 177.2054 21 F 4.2727 7.3038 117.4245 58.6276 38.8219 175.9318 22 G 4.2166 8.1139 106.9008 44.8811 0.0000 174.0857 23 H 4.4852 8.4213 116.4990 56.8672 29.4839 175.5080 24 H 4.4114 8.3692 121.0027 55.8744 30.2220 175.7670 25 N 4.2821 8.8421 124.1723 55.8240 38.6203 175.3594 26 Y 4.4748 8.3447 113.9737 57.2989 38.7385 176.0006 27 E 4.1310 8.7403 118.0637 57.3317 27.7499 176.1644 28 W 4.8006 7.7978 130.0230 59.7730 30.6085 177.5733 29 D 3.8975 7.9916 119.1621 56.5628 39.3245 178.5682 30 R 3.7988 7.6476 117.0591 58.4334 29.3401 178.1725 31 Y 4.0973 7.1648 116.6429 61.1675 38.1285 177.4532 32 Y 3.6936 7.0221 119.6131 60.8557 38.9086 177.6637 33 L 3.6834 7.6606 119.2646 58.3944 41.5997 179.4368 34 E 4.0114 8.5419 118.3530 58.4863 29.5234 177.5995 35 N 4.7653 7.4398 114.1826 54.2762 40.9797 175.8640 36 V 3.5439 7.3627 116.6767 61.4895 32.0940 176.1477 37 S 4.6212 8.0959 116.4539 57.0813 66.0172 175.1641 38 I 3.6092 8.1825 124.6860 64.8335 36.8199 178.0061 39 D 4.3656 8.1663 119.0380 57.7875 40.7263 179.1655 40 R 3.8338 7.9051 118.6414 59.1972 29.9681 178.5945 41 L 3.9377 7.7628 118.7917 57.7870 41.4750 179.3764 42 K 3.8184 8.1534 117.4130 59.8120 32.0252 179.1664 43 T 3.9327 7.7104 114.9972 66.6370 68.5917 176.3362 44 I 3.0332 7.0090 121.2570 64.1240 37.0903 178.2948 45 L 3.9894 7.8032 118.5368 55.3383 41.0171 177.2604 46 S 4.7543 6.8927 114.4599 56.7553 64.6379 175.0556 47 N 4.3279 8.6677 119.5076 56.7307 38.4301 176.6163 48 H 4.3838 8.0561 112.4674 58.3065 29.1643 176.0088 49 T 4.3195 7.0880 110.9541 59.7860 67.0699 174.1832 50 D 4.4228 8.6246 129.7064 57.6390 41.8012 176.6395 51 Y 4.6386 7.6819 114.2561 56.1173 38.5431 174.2115 52 W 5.2868 7.4607 130.4365 55.9262 32.7029 174.1136 53 N 4.7407 9.4016 124.9101 51.3392 42.2717 173.9114 54 I 4.2417 8.0495 125.2694 60.6668 38.5130 175.0464 55 F 4.9227 9.2062 126.7883 56.1735 41.1630 175.4003 56 G 4.4771 9.1204 108.2143 44.3966 0.0000 171.0577 57 A 5.2430 8.8459 125.2226 49.9899 21.5131 175.7085 58 F 5.1468 9.7947 121.9132 55.6053 42.5533 174.1391 59 E 4.6127 9.3698 125.6086 54.6292 30.6889 177.2118 60 D 4.3234 8.9785 130.7864 55.9960 40.4683 174.8473 61 D 4.7672 9.2303 125.8224 54.7727 41.2080 174.8722 62 E 4.4978 8.2732 122.3948 54.1006 30.3260 174.8591 63 L 3.5346 8.6658 129.1222 55.0915 42.3465 176.1772 64 V 4.4766 8.7870 125.7059 61.8871 34.1296 175.2466 65 A 5.2941 7.5355 121.5091 51.0109 22.6056 175.0732 66 T 5.1768 9.3641 110.1184 60.3512 72.9959 172.3267 67 C 5.0160 8.9373 121.3728 58.4649 35.7003 172.6627 68 T 5.0725 8.9625 121.9723 62.0289 70.8824 173.2894 69 L 5.2386 9.4692 127.3089 53.2785 44.9312 174.9265 70 K 4.8710 9.0886 128.2892 53.7456 34.2924 175.2332 71 Q 4.6639 9.3085 135.0000 55.0285 29.5725 177.0976 *73 N 4.1302 8.6589 110.0014 52.9706 39.8219 172.8382 74 Y 4.8674 6.9453 113.7769 55.5810 42.3972 175.3709 75 V 3.6198 8.6133 122.1386 64.9009 31.6371 176.6491 76 G 3.9932 8.9860 114.1400 45.8923 0.0000 173.6323 77 K 4.4303 8.4679 118.5426 56.1929 33.2073 176.9926 78 C 4.3773 7.9559 113.1406 59.0394 30.2527 173.7539 79 H 4.5554 8.0841 116.2305 57.0002 29.2131 174.8357 80 K 5.0985 7.6104 118.2818 55.0368 34.9070 175.3484 81 A 4.9735 8.6574 122.6488 50.7600 23.1245 175.2922 82 I 4.8559 8.8412 113.5959 59.1146 41.0211 174.2408 83 L 5.2648 8.7191 125.9671 54.1068 43.3284 176.2106 84 E 4.6694 8.8071 120.2218 54.4948 34.9893 171.8655 85 N 3.5688 8.7467 112.4076 54.7334 36.1898 175.3525 86 N 4.5755 7.8427 116.4753 54.2497 38.6104 172.6823 87 F 5.0987 8.7684 124.3678 55.5062 41.5017 174.8554 88 V 4.6523 8.3742 123.9010 60.4197 34.2307 174.7105 89 K 3.8715 8.7236 129.6194 58.3176 32.3449 176.5177 90 N 4.0751 9.5949 120.6582 53.1929 36.3723 173.6234 91 N 3.9926 8.4852 113.1951 53.6396 37.1520 173.3813 92 D 4.2622 7.5627 117.4688 54.7703 41.7858 177.1681 93 E 3.7763 8.6442 127.6934 59.2443 29.5576 179.3700 94 I 3.7459 7.7939 119.5398 64.2554 37.2918 178.3069 95 V 3.5428 8.2621 119.1762 66.2255 31.3875 177.6461 96 N 4.3662 8.0980 116.4669 56.4475 38.7642 176.8217 97 R 3.9867 8.3202 120.5294 59.3377 30.1945 178.2578 98 E 3.9842 8.0741 118.0826 59.2308 29.4682 178.7410 99 L 3.9385 7.9509 120.3023 58.6136 42.0623 179.2113 100 I 3.7829 8.0900 119.5582 64.4181 37.0314 178.3068 101 N 4.2971 8.0993 117.0211 56.4532 38.3907 176.8916 102 H 4.0458 8.3571 119.6280 59.4164 29.9387 177.4050 103 I 3.2865 7.8041 121.5448 64.1734 36.8386 178.3988 104 I 3.6689 8.0329 121.0815 64.5450 37.0323 178.2831 105 Q 3.9839 8.0254 120.3285 59.0919 28.8816 177.6131 106 Y 3.9747 8.0889 120.5020 60.4484 38.8715 177.5636 107 A 3.9350 8.2114 121.7662 55.3174 18.4314 179.4201 108 K 3.7902 7.9552 116.7633 60.0797 31.9657 179.3223 109 E 3.9232 7.6805 116.5802 59.2430 29.4147 178.6168 110 Q 4.1304 7.4290 114.8612 55.2878 28.8322 175.5625 111 N 4.2463 7.9800 116.4083 54.0889 36.8132 174.2929 112 I 3.9930 8.0671 119.6152 61.4644 37.7818 176.1131 113 E 4.5191 9.3846 125.8604 58.0682 31.1252 176.5174 114 T 5.1633 7.8015 108.1266 60.0797 72.8515 173.2001 115 L 5.8358 8.6412 122.9059 52.0072 46.1902 174.7847 *117 I 4.1970 8.0806 117.8841 61.2424 39.3009 174.1417 118 A 4.2082 8.0078 129.6588 50.5590 19.8934 176.5599 119 I 4.3448 8.3947 122.6913 58.5997 41.5887 174.9475 120 A 3.8636 8.3065 126.9457 52.5966 18.3563 178.5104 121 S 4.0414 8.4961 120.0336 61.3203 63.1043 175.4737 122 N 4.7752 7.7421 113.6060 52.6410 38.1196 175.6246 123 N 5.0958 7.8498 120.8052 52.8205 37.6352 174.8222 124 I 3.8953 8.1087 127.9966 63.6873 37.4616 177.7979 125 S 4.1478 8.2552 115.5903 61.6197 62.7369 176.4411 126 A 4.1192 8.5707 123.3979 55.1627 18.0791 179.7786 127 K 4.0434 8.0652 116.6353 59.5744 32.0531 179.7832 128 V 3.5984 8.2420 118.6868 66.0357 31.3671 177.3468 129 F 4.0373 8.4645 120.6032 61.9664 39.0504 177.3961 130 F 4.0725 9.0602 117.0320 60.3740 38.5331 177.9925 131 S 4.8066 8.7546 117.0794 60.9787 62.3961 176.5389 132 S 4.2521 8.0525 116.0079 60.6085 62.9577 175.7217 133 I 4.1273 7.0692 122.0225 60.9338 37.3227 175.9387 134 G 4.1294 7.5303 106.2394 45.0695 0.0000 173.7849 135 F 4.9597 9.3809 121.3823 56.8928 40.3344 174.5819 136 E 5.0403 8.8762 121.2282 54.0964 32.7590 174.9642 137 N 4.9238 8.9241 120.3967 54.1550 39.2480 173.8925 138 L 4.7080 9.0689 126.9847 56.4284 44.3899 176.1745 139 A 4.6101 7.7653 116.3519 51.1358 22.4029 174.8395 140 F 5.0296 9.0624 122.7878 57.0411 41.2008 175.2313 141 E 4.3035 8.5206 127.3519 53.2794 30.7679 174.0161 142 K 3.8801 7.8631 126.2521 57.1172 33.0320 175.6391 143 N 4.2881 9.0026 123.0509 54.2385 36.8073 175.7755 144 A 4.1878 8.0713 121.4284 54.4919 19.2015 178.7685 145 S 4.7587 7.9861 110.7168 56.8313 66.6233 173.6992 146 K 4.8748 8.4230 123.2947 55.2197 33.4434 175.2209 147 I 4.4570 8.3542 128.0266 60.5683 40.2928 175.9621 148 G 4.0839 8.7994 116.8226 46.4154 0.0000 173.4383 149 N 4.7004 8.7405 117.5449 51.8234 38.0548 173.7835 150 E 3.8768 7.8030 118.8771 57.0828 30.0047 175.8782 151 Y 4.8251 7.8265 120.1365 56.5809 41.0052 175.1399 152 F 4.8887 8.6619 118.6999 56.4714 43.7958 173.8587 153 D 4.8184 8.9466 123.6144 53.9091 42.4987 175.2848 154 E 5.0026 8.4143 120.6100 54.5802 34.3544 174.1512 155 N 5.3272 9.1732 119.5508 51.3255 42.0698 173.8388 156 W 4.9001 9.2101 123.9126 55.8418 30.3523 176.1257 157 L 5.1031 9.0021 125.7777 54.0260 43.3333 176.0959 158 I 5.0400 8.7663 119.7570 59.9891 41.9981 172.9225 159 Y 4.6290 9.2549 129.4277 55.6760 41.8476 173.7839 160 S 4.8262 7.7707 120.6224 57.5306 63.3435 173.7649 161 T 4.3153 8.9686 122.9965 65.1494 69.5591 175.2372 162 T 3.9976 7.1571 121.7033 64.0669 68.5366 173.3753 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 N 8.42 4.85 0.00 2.77 3.04 0.00 0.00 5.79 7.15 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 3 N 8.18 4.73 0.00 2.86 2.71 0.00 0.00 6.94 6.94 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 4 I 8.31 5.33 1.85 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 1.43 0.83 0.68 0.00 0.00 5 R 9.08 4.77 0.00 1.87 2.03 0.00 2.72 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 6 L 8.50 3.95 0.00 1.45 1.49 0.18 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.55 4.72 0.00 1.44 1.42 1.08 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.40 5.79 0.00 2.86 2.84 0.00 0.00 6.90 7.20 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 9 Q 8.56 3.98 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 10 N 8.63 4.21 0.00 2.88 2.90 0.00 0.00 7.02 7.61 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 11 D 8.24 4.73 0.00 2.71 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 12 L 7.65 3.98 0.00 1.85 1.71 0.95 1.48 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 13 D 8.22 4.38 0.00 2.73 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 14 S 8.16 4.28 0.00 4.12 4.01 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 15 Y 7.99 4.36 0.00 2.93 3.18 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 I 7.79 3.57 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 0.76 0.00 0.00 17 E 8.41 3.83 0.00 2.09 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 2.13 2.16 0.00 18 L 7.98 4.11 0.00 1.85 1.73 1.16 0.75 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 *20 K 8.04 4.06 0.00 1.68 1.62 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.40 7.81 21 F 7.30 4.27 0.00 2.95 2.53 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 0.00 0.00 0.00 0.00 22 G 8.11 4.22 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 0.00 0.00 0.00 23 H 8.42 4.49 0.00 3.19 3.35 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.37 4.41 0.00 3.48 3.48 0.00 5.87 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.84 4.28 0.00 2.80 2.57 0.00 0.00 6.94 7.46 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 26 Y 8.34 4.47 0.00 3.17 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 27 E 8.74 4.13 0.00 2.29 1.82 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 2.17 2.24 0.00 28 W 7.80 4.80 0.00 3.34 2.60 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 29 D 7.99 3.90 0.00 2.44 2.53 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 0.00 0.00 0.00 0.00 30 R 7.65 3.80 0.00 1.98 2.04 0.00 2.80 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.30 0.00 31 Y 7.16 4.10 0.00 2.89 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 32 Y 7.02 3.69 0.00 1.90 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 33 L 7.66 3.68 0.00 1.76 1.52 0.68 0.61 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 34 E 8.54 4.01 0.00 1.84 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 2.28 2.34 0.00 35 N 7.44 4.77 0.00 2.71 2.75 0.00 0.00 6.98 6.96 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 36 V 7.36 3.54 0.96 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 0.32 0.00 0.00 0.59 0.00 0.00 37 S 8.10 4.62 0.00 4.03 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 38 I 8.18 3.61 1.84 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 1.59 0.75 0.88 0.00 0.00 39 D 8.17 4.37 0.00 2.70 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 40 R 7.91 3.83 0.00 1.95 2.03 0.00 3.24 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 41 L 7.76 3.94 0.00 1.99 1.72 1.22 1.00 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 42 K 8.15 3.82 0.00 1.93 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.47 7.81 43 T 7.71 3.93 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 1.18 0.00 0.00 44 I 7.01 3.03 1.52 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 -0.30 0.50 0.18 0.00 0.00 45 L 7.80 3.99 0.00 1.65 1.58 0.93 0.64 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 46 S 6.89 4.75 0.00 3.87 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 47 N 8.67 4.33 0.00 2.73 2.93 0.00 0.00 6.97 8.16 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 48 H 8.06 4.38 0.00 3.29 3.47 0.00 5.52 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.09 4.32 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 1.21 0.00 0.00 50 D 8.62 4.42 0.00 2.85 3.03 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 51 Y 7.68 4.64 0.00 3.31 3.21 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 52 W 7.46 5.29 0.00 2.60 2.64 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 53 N 9.40 4.74 0.00 2.48 1.95 0.00 0.00 6.76 8.18 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 54 I 8.05 4.24 1.53 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.28 0.54 0.00 0.00 55 F 9.21 4.92 0.00 2.88 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 56 G 9.12 4.48 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 0.00 57 A 8.85 5.24 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 58 F 9.79 5.15 0.00 2.97 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.37 4.61 0.00 2.05 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 2.25 2.29 0.00 60 D 8.98 4.32 0.00 2.91 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 0.00 0.00 0.00 61 D 9.23 4.77 0.00 2.68 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 62 E 8.27 4.50 0.00 2.12 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 2.32 2.31 0.00 63 L 8.67 3.53 0.00 1.37 1.53 0.43 1.07 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 64 V 8.79 4.48 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 0.66 0.00 0.00 0.91 0.00 0.00 65 A 7.54 5.29 1.22 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 0.00 0.00 66 T 9.36 5.18 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 1.32 0.00 0.00 67 C 8.94 5.02 0.00 3.04 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 68 T 8.96 5.07 4.48 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 1.50 0.00 0.00 69 L 9.47 5.24 0.00 1.92 1.87 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.09 4.87 0.00 1.80 1.64 0.00 1.15 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.65 7.81 71 Q 9.31 4.66 0.00 2.20 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 *73 N 8.66 4.13 0.00 1.88 1.94 0.00 0.00 6.60 7.54 0.00 0.00 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 Y 6.95 4.87 0.00 3.03 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 75 V 8.61 3.62 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 0.78 0.00 0.00 0.95 0.00 0.00 76 G 8.99 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 0.00 0.00 0.00 0.00 77 K 8.47 4.43 0.00 1.94 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.56 7.81 78 C 7.96 4.38 0.00 3.03 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 79 H 8.08 4.56 0.00 3.32 3.58 0.00 5.41 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.61 5.10 0.00 1.73 1.66 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 0.89 7.81 81 A 8.66 4.97 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 82 I 8.84 4.86 2.06 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 1.33 0.72 0.93 0.00 0.00 83 L 8.72 5.26 0.00 1.53 1.64 1.07 0.89 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 84 E 8.81 4.67 0.00 1.61 1.74 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 2.13 2.14 0.00 85 N 8.75 3.57 0.00 2.72 2.55 0.00 0.00 6.87 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 86 N 7.84 4.58 0.00 2.71 2.74 0.00 0.00 7.12 7.02 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 87 F 8.77 5.10 0.00 3.12 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 88 V 8.37 4.65 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 1.04 0.00 0.00 0.93 0.00 0.00 89 K 8.72 3.87 0.00 1.86 1.68 0.00 1.70 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.18 0.76 7.81 90 N 9.59 4.08 0.00 2.84 2.81 0.00 0.00 7.18 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 91 N 8.49 3.99 0.00 2.73 2.75 0.00 0.00 6.79 8.38 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 92 D 7.56 4.26 0.00 2.66 2.58 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 93 E 8.64 3.78 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 2.11 2.18 0.00 94 I 7.79 3.75 2.01 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 1.54 1.44 0.93 0.00 0.00 95 V 8.26 3.54 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 0.99 0.00 0.00 0.98 0.00 0.00 96 N 8.10 4.37 0.00 2.89 2.62 0.00 0.00 6.97 7.67 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 97 R 8.32 3.99 0.00 2.33 1.95 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 98 E 8.07 3.98 0.00 2.04 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 2.54 2.51 0.00 99 L 7.95 3.94 0.00 1.91 1.82 1.00 1.01 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 0.00 100 I 8.09 3.78 2.05 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 1.77 0.61 1.03 0.00 0.00 101 N 8.10 4.30 0.00 3.04 2.87 0.00 0.00 6.63 7.43 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 0.00 102 H 8.36 4.05 0.00 3.32 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.80 3.29 1.95 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 0.73 0.28 0.87 0.00 0.00 104 I 8.03 3.67 1.96 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 0.90 0.00 0.00 105 Q 8.03 3.98 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 106 Y 8.09 3.97 0.00 2.96 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 A 8.21 3.93 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 0.00 108 K 7.96 3.79 0.00 2.00 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.65 7.81 109 E 7.68 3.92 0.00 1.93 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 0.00 2.31 2.44 0.00 110 Q 7.43 4.13 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 1.82 2.27 0.00 111 N 7.98 4.25 0.00 2.83 2.88 0.00 0.00 6.95 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 0.00 112 I 8.07 3.99 1.99 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 1.32 0.47 1.02 0.00 0.00 113 E 9.38 4.52 0.00 2.06 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 2.26 0.00 114 T 7.80 5.16 4.32 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 1.25 0.00 0.00 115 L 8.64 5.84 0.00 1.75 1.84 1.04 0.71 0.00 0.00 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0.00 0.00 0.00 1.91 0.86 0.96 0.00 0.00 125 S 8.26 4.15 0.00 4.08 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 0.00 126 A 8.57 4.12 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.07 4.04 0.00 2.04 1.95 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.49 7.81 128 V 8.24 3.60 2.28 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 1.12 0.00 0.00 1.01 0.00 0.00 129 F 8.46 4.04 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 0.00 130 F 9.06 4.07 0.00 3.18 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 0.00 131 S 8.75 4.81 0.00 4.23 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 0.00 132 S 8.05 4.25 0.00 3.95 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 0.00 133 I 7.07 4.13 2.01 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.08 0.91 0.00 0.00 134 G 7.53 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 0.00 135 F 9.38 4.96 0.00 3.19 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 0.00 136 E 8.88 5.04 0.00 2.10 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 2.20 2.24 0.00 137 N 8.92 4.92 0.00 2.84 2.83 0.00 0.00 6.81 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 0.00 138 L 9.07 4.71 0.00 1.69 1.98 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.77 4.61 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 0.00 140 F 9.06 5.03 0.00 3.05 3.03 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 0.00 141 E 8.52 4.30 0.00 2.03 1.65 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 2.19 2.34 0.00 142 K 7.86 3.88 0.00 2.03 1.72 0.00 2.01 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.71 7.81 143 N 9.00 4.29 0.00 2.84 2.95 0.00 0.00 6.97 6.94 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 0.00 144 A 8.07 4.19 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 0.00 145 S 7.99 4.76 0.00 3.88 3.80 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 0.00 146 K 8.42 4.87 0.00 1.53 1.60 0.00 1.47 0.00 0.00 2.28 0.00 0.00 2.85 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.97 0.37 7.81 147 I 8.35 4.46 1.73 0.00 0.00 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 1.48 1.28 1.16 0.00 0.00 148 G 8.80 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 0.00 0.00 0.00 149 N 8.74 4.70 0.00 2.72 2.77 0.00 0.00 5.94 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 0.00 150 E 7.80 3.88 0.00 1.88 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 2.27 2.35 0.00 151 Y 7.83 4.83 0.00 2.74 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 0.00 152 F 8.66 4.89 0.00 2.88 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 0.00 153 D 8.95 4.82 0.00 2.75 2.47 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 0.00 154 E 8.41 5.00 0.00 1.47 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 1.76 1.95 0.00 155 N 9.17 5.33 0.00 2.50 2.71 0.00 0.00 7.26 7.55 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 0.00 156 W 9.21 4.90 0.00 3.27 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 0.00 157 L 9.00 5.10 0.00 1.55 1.85 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.77 5.04 1.96 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 1.13 1.37 1.04 0.00 0.00 159 Y 9.25 4.63 0.00 1.43 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 0.00 160 S 7.77 4.83 0.00 3.74 3.42 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 0.00 161 T 8.97 4.32 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 1.24 0.00 0.00 162 T 7.16 4.00 4.15 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 1.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.