NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 E 4.2709 8.4444 116.7529 55.6720 31.4714 174.4529 14 V 3.9162 8.0486 122.1652 60.0201 32.7158 174.4149 15 N 4.4720 9.3620 126.5200 53.7539 39.5931 174.6217 16 L 4.1481 8.4817 131.6668 58.0505 41.7904 179.4807 17 D 4.3944 8.0838 120.8823 58.4750 39.7562 181.6798 18 E 4.1861 8.9782 120.6281 59.1630 29.4317 179.2319 19 L 3.9726 8.0915 120.1945 58.0958 42.2841 178.8169 20 A 3.9872 8.3087 120.9658 54.9801 18.0190 179.3822 21 Q 3.8825 7.5132 117.5018 59.4745 29.2765 177.9514 22 E 4.0808 7.9369 118.8491 59.0268 30.0596 178.0567 23 L 4.3331 8.4047 117.9861 55.4836 41.7063 178.8820 24 G 3.9031 7.6099 105.8615 47.7956 0.0000 173.7692 25 P 4.4345 0.0000 0.0000 63.4436 32.6671 177.1867 26 I 4.0658 7.2711 112.9508 58.8051 36.3715 174.9438 *28 G 3.7297 7.5589 114.4060 45.7865 0.0000 171.2388 29 D 4.3895 8.8031 121.6445 57.0459 40.9131 177.5141 30 N 4.8832 8.0234 113.8013 52.7897 38.8821 173.7139 31 E 5.0253 8.2423 119.2001 54.5992 32.5693 174.9830 32 Q 4.6197 10.3866 126.7597 54.0789 33.0858 173.5690 33 L 4.3091 8.7824 127.6306 55.9693 42.3841 175.0490 34 A 4.7944 9.2157 126.6636 53.0816 20.5721 176.4513 35 L 4.8380 7.8884 112.4432 53.5755 46.6910 174.3742 36 A 5.3804 8.1322 120.9169 50.9546 22.3440 175.1863 37 Y 4.7852 9.1453 117.7961 56.1169 41.6038 175.8425 38 R 4.3717 8.7372 122.4606 56.0102 30.9322 177.0756 39 V 4.2020 8.3956 122.4922 61.1328 32.5853 176.2120 40 I 3.4628 7.7987 132.7257 62.9403 34.3903 175.6898 41 R 4.4815 8.7115 127.7891 57.2276 29.9782 175.3807 42 D 5.3076 7.3624 119.0549 53.6178 42.1961 175.6990 *44 F 4.6356 8.3890 121.8265 58.6200 40.7491 174.2029 45 V 4.7328 8.4430 124.9680 61.1930 33.5651 174.3636 46 F 5.4654 9.8911 127.7296 56.4718 40.9072 175.6310 47 T 5.2930 8.6307 116.0507 60.0331 70.8538 174.4486 48 N 4.4005 8.7531 118.0232 54.7080 37.5505 175.7506 49 K 4.5316 7.9426 117.5742 56.4291 34.6746 175.5062 50 R 3.7561 6.9045 112.7201 54.6457 32.5886 173.5033 51 L 4.4190 8.0103 123.3117 54.4802 43.5745 175.2850 52 I 4.7221 8.5200 127.8667 59.5794 39.4497 174.7325 53 L 4.3164 8.7284 128.9685 53.7964 43.0632 176.1359 54 I 4.9765 8.1829 125.5751 59.0800 39.1199 174.2573 55 D 5.0385 8.3093 127.0093 52.5878 43.9502 176.5894 56 K 4.7123 8.4966 122.8907 54.8120 35.1339 174.2881 *61 G 3.7767 8.1943 109.1514 46.9262 0.0000 174.8681 62 K 4.2071 8.7202 121.6300 55.1297 31.3216 172.1116 63 K 4.5620 8.0510 120.9583 55.5458 33.3940 175.3839 64 V 4.6959 8.2813 125.6493 60.9670 35.0051 174.3513 65 S 4.8015 8.6541 121.0232 56.7512 65.5643 172.5333 66 Y 4.4193 8.8112 121.1898 56.6838 39.6510 174.5976 67 H 4.8091 9.1513 126.4790 54.6071 31.4469 173.4298 68 S 4.9269 8.6372 122.6235 57.3949 64.3749 174.1815 69 V 4.1916 8.7201 125.0314 60.1842 33.4670 173.2247 70 P 4.6146 0.0000 0.0000 62.4284 32.2734 177.5483 71 Y 4.4738 8.0351 120.0700 61.1999 37.9127 178.9636 72 K 4.1485 8.2124 116.7014 58.7949 32.9747 177.1362 73 A 4.4074 7.9545 122.1755 52.5014 19.4286 176.6529 74 I 4.6156 7.8656 118.3208 61.2013 37.5039 175.6240 75 T 4.5884 8.9915 117.1329 63.9397 70.1809 174.2242 76 H 5.0681 8.2276 115.5976 55.0722 31.8224 172.1358 77 F 5.7715 8.2387 112.0591 56.4981 40.4733 173.0502 78 E 4.8642 9.4621 119.9934 54.9572 33.5273 173.7696 79 V 4.8882 8.5750 125.6287 61.1278 34.0894 173.8752 80 E 4.7918 9.0125 128.9293 54.6413 32.0191 174.6972 81 T 4.8750 8.2951 119.6688 60.2662 70.6281 172.2291 *88 D 4.3477 8.3267 124.8142 54.3165 42.1805 174.0097 89 A 5.0640 8.3558 120.9323 50.2426 22.8832 174.8198 90 E 5.0052 8.9862 119.1636 54.3288 33.2764 174.0329 91 L 5.2711 9.0899 128.7897 53.2621 44.8692 174.8303 92 K 4.8003 8.9404 125.5867 54.4055 34.9506 174.9971 93 L 5.0838 8.4747 124.7515 52.8724 44.3975 175.6784 94 W 5.0197 9.4339 124.6361 55.3884 31.3561 175.5775 95 I 5.1362 8.2325 122.4776 59.0987 40.5179 174.9491 96 S 3.9862 9.0513 120.6015 60.4643 62.4951 174.7454 97 G 4.0365 9.9215 114.6410 45.5416 0.0000 172.7679 98 Q 4.6323 7.6104 115.4522 54.0585 31.8032 175.0209 99 K 4.1572 8.8670 121.8232 59.6395 32.5708 177.0600 100 D 4.7402 7.9189 117.5396 53.0168 41.6642 174.4358 101 P 4.4436 0.0000 0.0000 61.9414 32.8829 175.5260 102 L 4.1911 8.4908 121.3329 54.5102 42.8010 176.2498 103 V 4.7151 8.2470 122.9282 60.9736 34.1617 174.7020 104 K 4.6487 9.1241 126.8087 54.4980 35.9982 175.0093 105 E 4.3136 8.9802 126.6651 56.0715 30.5888 176.2903 106 L 4.5140 8.9061 128.4558 52.8398 42.3161 176.3188 107 K 4.6388 8.3625 125.6106 55.8367 33.9615 177.0838 108 K 3.8858 8.5683 123.2659 56.1296 31.8860 176.7174 109 G 4.1077 9.1072 115.0554 45.6110 0.0000 174.8939 110 T 3.9464 7.7137 116.3427 63.2552 68.6776 175.4487 111 D 4.5746 8.3198 124.7933 53.4463 39.6240 176.9445 112 V 3.4939 7.7505 124.2141 65.3625 31.9447 177.3085 113 V 3.6426 7.6980 117.6859 65.8379 31.4293 178.0252 114 G 3.6358 8.3315 106.8926 47.3473 0.0000 175.6181 115 I 3.0610 7.2510 122.3507 63.9743 37.0400 178.6294 116 Q 3.9091 7.7585 118.3447 58.6308 28.5438 178.5748 117 K 3.8692 8.0701 120.7752 59.8597 32.2626 179.0661 118 T 3.3088 7.7054 116.0387 66.2056 68.1583 176.7724 119 I 3.4597 7.4477 121.5394 64.1254 37.0904 178.1925 120 A 4.0275 7.8085 121.3363 55.4752 18.0652 179.3969 121 N 4.3108 8.3542 113.6721 56.2820 38.7076 177.0118 122 F 4.5541 8.0271 117.4696 58.4460 39.4538 177.3788 123 S 4.5562 7.7033 112.6597 59.5224 64.0606 174.1118 124 L 4.2474 7.8006 125.9093 54.7983 41.4609 176.4570 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 13 E 8.44 4.27 0.00 2.01 1.81 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 2.13 1.88 0.00 14 V 8.05 3.92 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 0.92 0.00 0.00 0.94 0.00 0.00 15 N 9.36 4.47 0.00 2.80 2.73 0.00 0.00 7.23 6.66 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 16 L 8.48 4.15 0.00 1.73 1.71 0.94 1.12 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 17 D 8.08 4.39 0.00 2.68 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 18 E 8.98 4.19 0.00 2.22 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 2.34 2.45 0.00 19 L 8.09 3.97 0.00 1.90 1.69 0.97 0.96 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 20 A 8.31 3.99 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 21 Q 7.51 3.88 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 22 E 7.94 4.08 0.00 2.05 2.12 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 2.35 2.38 0.00 23 L 8.40 4.33 0.00 1.73 1.69 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.61 3.90 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 0.00 0.00 0.00 25 P 0.00 4.43 0.00 1.97 2.09 0.00 3.68 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 1.99 2.11 0.00 26 I 7.27 4.07 1.77 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.53 0.77 0.00 0.00 *28 G 7.56 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 29 D 8.80 4.39 0.00 2.67 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 30 N 8.02 4.88 0.00 2.69 2.81 0.00 0.00 6.60 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 31 E 8.24 5.03 0.00 1.89 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 2.20 2.33 0.00 32 Q 10.39 4.62 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 33 L 8.78 4.31 0.00 1.72 1.60 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.22 4.79 1.68 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 0.00 0.00 35 L 7.89 4.84 0.00 1.67 1.36 0.73 0.64 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 36 A 8.13 5.38 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 37 Y 9.15 4.79 0.00 2.76 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 38 R 8.74 4.37 0.00 1.82 1.88 0.00 3.16 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 39 V 8.40 4.20 1.97 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 0.82 0.00 0.00 0.25 0.00 0.00 40 I 7.80 3.46 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.90 0.00 0.00 41 R 8.71 4.48 0.00 1.82 1.81 0.00 3.23 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.21 0.00 42 D 7.36 5.31 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 4.64 0.00 3.09 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 45 V 8.44 4.73 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 1.06 0.00 0.00 0.98 0.00 0.00 46 F 9.89 5.47 0.00 3.32 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.63 5.29 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 1.25 0.00 0.00 48 N 8.75 4.40 0.00 2.81 2.91 0.00 0.00 6.80 7.24 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 49 K 7.94 4.53 0.00 1.93 1.76 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.33 7.81 50 R 6.90 3.76 0.00 1.69 1.71 0.00 2.87 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.00 51 L 8.01 4.42 0.00 1.69 1.39 -0.12 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.52 4.72 1.84 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 1.17 0.44 0.97 0.00 0.00 53 L 8.73 4.32 0.00 1.38 1.39 0.60 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.18 4.98 1.78 0.00 0.00 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 1.23 1.73 0.51 0.00 0.00 55 D 8.31 5.04 0.00 2.48 2.48 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 56 K 8.50 4.71 0.00 1.70 1.74 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.35 7.81 *61 G 8.19 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 0.00 0.00 0.00 62 K 8.72 4.21 0.00 1.79 1.71 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.00 7.81 63 K 8.05 4.56 0.00 1.68 1.71 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.33 7.81 64 V 8.28 4.70 2.11 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 0.47 0.00 0.00 0.93 0.00 0.00 65 S 8.65 4.80 0.00 3.87 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 66 Y 8.81 4.42 0.00 2.79 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 67 H 9.15 4.81 0.00 3.12 3.06 0.00 5.59 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.64 4.93 0.00 3.77 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 69 V 8.72 4.19 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 0.95 0.00 0.00 0.69 0.00 0.00 70 P 0.00 4.61 0.00 2.20 1.89 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 2.08 2.05 0.00 71 Y 8.04 4.47 0.00 3.06 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 72 K 8.21 4.15 0.00 1.92 2.02 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 73 A 7.95 4.41 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 74 I 7.87 4.62 2.11 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 1.45 0.97 1.12 0.00 0.00 75 T 8.99 4.59 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 76 H 8.23 5.07 0.00 3.11 3.34 0.00 5.51 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.24 5.77 0.00 3.24 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 78 E 9.46 4.86 0.00 2.40 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 2.32 2.37 0.00 79 V 8.58 4.89 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 0.86 0.00 0.00 1.02 0.00 0.00 80 E 9.01 4.79 0.00 2.12 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 2.21 2.24 0.00 81 T 8.30 4.87 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 1.21 0.00 0.00 *88 D 8.33 4.35 0.00 2.72 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 89 A 8.36 5.06 1.19 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 0.00 0.00 90 E 8.99 5.01 0.00 2.01 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 2.16 2.20 0.00 91 L 9.09 5.27 0.00 1.78 1.65 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.94 4.80 0.00 1.06 0.74 0.00 1.78 0.00 0.00 1.27 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.04 1.21 7.81 93 L 8.47 5.08 0.00 1.45 1.55 0.84 1.03 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 94 W 9.43 5.02 0.00 3.29 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 95 I 8.23 5.14 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.00 0.96 0.00 0.00 96 S 9.05 3.99 0.00 3.83 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 97 G 9.92 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 98 Q 7.61 4.63 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 99 K 8.87 4.16 0.00 1.79 1.94 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.54 7.81 100 D 7.92 4.74 0.00 2.73 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 0.00 101 P 0.00 4.44 0.00 1.19 0.49 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 102 L 8.49 4.19 0.00 1.48 1.51 0.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.25 4.72 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 0.75 0.00 0.00 0.77 0.00 0.00 104 K 9.12 4.65 0.00 1.77 1.81 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.68 7.81 105 E 8.98 4.31 0.00 1.97 1.85 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 2.27 2.33 0.00 106 L 8.91 4.51 0.00 1.52 1.47 0.83 0.41 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 0.00 107 K 8.36 4.64 0.00 1.78 1.71 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.53 1.01 7.81 108 K 8.57 3.89 0.00 1.78 1.66 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.30 7.81 109 G 9.11 4.11 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 0.00 0.00 0.00 110 T 7.71 3.95 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 1.00 0.00 0.00 111 D 8.32 4.57 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.49 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 0.93 0.00 0.00 0.87 0.00 0.00 113 V 7.70 3.64 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 1.04 0.00 0.00 0.91 0.00 0.00 114 G 8.33 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 0.00 0.00 0.00 115 I 7.25 3.06 1.56 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 0.90 0.00 0.00 116 Q 7.76 3.91 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 117 K 8.07 3.87 0.00 1.87 1.85 0.00 1.49 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.44 7.81 118 T 7.71 3.31 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 -0.55 0.00 0.00 119 I 7.45 3.46 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 -0.18 0.00 0.00 120 A 7.81 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.35 4.31 0.00 2.60 3.09 0.00 0.00 7.11 7.32 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 0.00 122 F 8.03 4.55 0.00 2.43 1.93 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 0.00 123 S 7.70 4.56 0.00 4.12 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 0.00 124 L 7.80 4.25 0.00 1.84 1.67 1.03 1.01 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 * Residues marked with a * may have inaccurate shift predictions.