NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9003 8.3549 109.7358 45.5028 0.0000 172.9127 2 L 3.9224 6.9412 121.4476 55.0379 42.2506 174.5791 3 E 4.2461 8.9593 121.6852 56.8379 30.5963 177.5462 4 C 4.2928 8.9744 124.9999 58.9222 41.0262 172.1463 5 D 4.6204 9.1240 118.2026 54.4038 40.9670 176.3915 6 G 3.7550 9.3262 102.8400 46.3767 0.0000 172.7876 *9 N 4.4607 7.7824 117.3755 52.5934 37.7919 172.5203 10 I 4.6753 7.6095 131.0490 60.9552 41.3775 174.0985 11 C 5.1095 8.7738 121.8504 56.1548 43.0768 172.7540 12 C 4.9548 8.7527 119.1886 54.2752 45.0491 172.7411 13 K 4.6001 8.5118 122.4031 55.9552 33.3551 175.2701 14 K 4.5295 8.8648 129.7074 54.3549 33.7582 175.1244 15 Q 4.6765 8.6123 129.5710 56.4360 30.1589 175.2806 16 F 4.7171 9.7183 128.4990 57.1831 43.2815 172.3291 17 F 4.8091 8.2358 128.8548 56.9776 40.6460 174.9464 18 V 4.2165 7.5041 119.1209 59.3740 34.8768 174.3640 19 S 4.5752 7.9993 118.4435 56.4574 64.1629 175.0049 20 F 4.5437 8.5765 126.3960 60.2833 38.6394 177.6880 21 K 3.9453 8.2443 119.0572 59.7619 31.8180 177.9661 22 D 4.3957 7.5347 117.6486 57.9154 40.9237 179.1737 23 I 3.7592 7.4272 118.0421 62.3740 36.9836 177.2784 24 G 4.0467 8.0228 107.3415 45.3893 0.0000 173.6554 25 W 5.2067 8.8097 117.5425 56.3304 29.5467 177.4252 26 N 4.5846 8.5781 118.8908 55.8689 38.6475 175.4160 27 D 4.7476 8.2203 116.3407 54.8764 40.8010 177.6058 28 W 4.5771 8.5231 129.7295 59.7886 31.0301 175.5057 29 I 3.9501 7.7768 119.9423 59.8518 37.0701 175.8043 30 I 3.9386 8.3629 127.5742 63.8184 37.4912 176.5654 31 A 4.5530 7.2383 120.2369 50.3968 21.6597 174.3112 32 P 5.1145 0.0000 0.0000 61.9491 33.2236 176.1082 33 S 4.5189 8.6651 111.1797 59.8900 63.5033 173.3777 34 G 3.4334 7.4987 106.4365 46.4662 0.0000 171.2907 35 Y 4.7093 6.4306 116.3482 56.6795 41.7056 173.8452 36 H 4.7670 9.0240 117.8787 54.8376 27.5257 175.1362 37 A 3.7488 7.6340 125.6084 53.2135 19.5004 178.1038 38 N 4.9818 9.1260 110.6578 53.4056 38.3891 172.1410 39 Y 4.7837 7.8826 115.8610 56.9768 41.9440 172.3030 40 C 5.3255 8.9523 117.2441 55.2554 40.7710 173.4660 41 E 4.8351 9.0007 121.1670 54.9426 33.1797 174.1371 42 G 4.4291 8.6124 104.9504 44.9604 0.0000 172.9390 43 E 4.4579 7.8880 118.4696 55.4277 30.4262 176.6042 44 C 4.8453 8.4831 120.4819 54.7858 40.3052 171.7160 45 P 4.4457 0.0000 0.0000 62.6712 31.7623 176.5007 *55 S 4.2371 7.6388 112.8159 58.4164 63.9559 172.9957 56 L 4.6212 8.0874 121.5448 53.1840 43.3929 177.3327 57 S 4.4526 8.2847 116.5675 58.0096 65.0349 175.1964 58 F 4.0020 8.7956 123.8296 61.6795 39.1274 176.5428 59 H 4.1822 8.4518 117.2531 59.6122 29.7961 177.1437 60 S 4.1536 8.0076 116.3671 61.9148 62.6107 177.0025 61 T 3.8054 7.9769 118.3233 66.7110 67.9779 177.2980 62 V 3.6356 7.4463 113.1424 64.4353 31.8627 178.4749 63 I 3.8722 7.7648 119.5743 64.3667 36.8663 178.2490 64 N 4.3308 8.2492 117.4795 56.3180 38.4415 176.5366 65 H 3.8534 7.8114 118.4326 59.3289 29.7451 175.7437 66 Y 3.9785 7.9564 115.7706 58.1180 37.8197 176.7201 67 R 3.8466 7.3838 118.6411 55.2557 31.2670 176.3204 68 M 4.0701 7.1005 119.3528 55.0395 32.8151 175.2640 69 R 3.9767 8.6940 125.0515 58.3784 30.3549 176.4298 70 G 3.8658 8.8195 111.9264 45.8883 0.0000 173.0182 71 H 4.2964 8.3531 119.5724 55.8638 30.4459 174.5371 72 S 4.7327 8.0462 119.4461 55.5091 64.8782 171.9695 73 P 4.6323 0.0000 0.0000 62.7421 31.8298 175.0209 74 F 4.9552 8.6463 120.2057 56.2669 41.5520 174.0564 75 A 4.2625 7.9886 131.8466 51.0026 19.2026 177.4165 76 N 4.6415 8.2358 124.8981 52.5120 37.5357 173.4718 77 L 4.0817 7.3764 121.7201 53.7238 43.3179 176.4785 78 K 4.1018 8.4472 126.9785 56.3670 30.9910 175.7110 79 S 4.4205 8.2796 120.8064 58.5011 63.3112 172.3605 80 C 4.6303 8.8960 124.7193 58.3649 35.5955 172.2886 81 C 5.0045 8.9142 123.5523 57.0596 40.4238 172.5828 82 V 4.6976 8.5218 118.8025 58.1452 35.8755 173.3442 83 P 4.9553 0.0000 0.0000 63.3202 31.1680 176.7129 84 T 4.5532 8.9443 113.8798 61.6023 70.6349 174.4518 85 K 4.6501 7.8424 123.8821 55.0564 35.5872 174.6225 86 L 5.4228 8.6855 125.9540 53.0777 45.6546 175.7498 87 R 4.9143 8.8537 119.2056 53.6636 34.2142 173.6875 88 P 5.0098 0.0000 0.0000 63.3038 32.9079 174.9084 89 M 4.8447 8.7589 118.8556 54.0722 35.8907 174.1797 90 S 4.8838 8.6355 121.1743 59.1518 64.0049 173.4023 91 M 5.0029 9.1813 121.7842 54.0097 36.9706 173.6884 92 L 5.1472 8.6421 121.6292 53.2480 45.0515 175.2549 93 Y 4.7969 7.9298 119.9310 56.2509 42.0100 172.6763 94 Y 4.9984 8.5063 118.3535 56.9709 39.2886 176.5171 95 D 5.0464 8.6331 124.4421 52.6496 41.8083 176.4285 96 D 4.3134 8.7717 117.7680 57.6333 40.8725 177.5481 97 G 3.8204 8.2445 105.2663 45.3456 0.0000 173.2130 98 Q 3.7960 8.0997 117.4364 57.0240 26.8368 173.2294 99 N 4.9572 8.4402 114.4208 52.3050 40.8048 174.7246 100 I 4.0809 8.1977 122.7897 61.0381 38.1000 175.4184 101 I 4.3311 8.1204 127.7568 59.0883 40.4760 174.2662 102 K 4.8434 8.4357 127.4981 54.7578 33.8683 175.3212 103 K 4.7181 9.0550 125.3748 54.8579 37.1331 175.2713 104 D 4.9715 8.6942 122.5502 53.3440 41.6810 175.9075 105 I 4.3246 8.5719 126.2327 59.9644 38.6820 176.1733 106 Q 4.3465 8.7275 125.8815 55.9457 29.8779 175.0991 107 N 4.3031 8.6378 115.5382 54.9933 35.9961 175.6119 108 M 4.4872 8.1553 119.5826 56.8788 33.1371 177.0490 109 I 4.9208 7.7181 118.9210 59.2539 41.1859 174.8782 110 V 4.0861 8.8997 127.7272 62.8047 31.2101 175.0383 111 E 4.5596 9.0624 129.2504 57.2065 31.3567 175.3765 112 E 4.8216 7.8664 118.1890 55.0961 33.1765 174.4724 113 C 5.5271 8.5594 121.7231 55.5731 44.0048 173.2521 114 G 4.2329 8.9414 107.3085 45.4066 0.0000 171.7613 115 C 5.1631 8.7253 119.1003 56.3430 40.8559 174.1524 116 S 4.3759 8.7038 118.4839 58.5950 62.3284 174.1773 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 1 G 8.35 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 2 L 6.94 3.92 0.00 1.65 1.56 0.96 0.54 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 3 E 8.96 4.25 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 2.29 2.43 0.00 4 C 8.97 4.29 0.00 2.83 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 5 D 9.12 4.62 0.00 2.55 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 0.00 0.00 0.00 0.00 6 G 9.33 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.78 4.46 0.00 2.99 3.07 0.00 0.00 5.77 7.68 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 10 I 7.61 4.68 1.87 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 1.23 1.28 0.91 0.00 0.00 11 C 8.77 5.11 0.00 3.03 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 12 C 8.75 4.95 0.00 3.35 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 13 K 8.51 4.60 0.00 1.85 1.67 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.33 7.81 14 K 8.86 4.53 0.00 1.25 0.74 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.11 1.33 7.81 15 Q 8.61 4.68 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.43 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 16 F 9.72 4.72 0.00 3.33 2.99 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 17 F 8.24 4.81 0.00 2.71 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 18 V 7.50 4.22 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 0.70 0.00 0.00 0.44 0.00 0.00 19 S 8.00 4.58 0.00 3.99 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 20 F 8.58 4.54 0.00 3.34 3.19 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 21 K 8.24 3.95 0.00 1.91 1.88 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.61 7.81 22 D 7.53 4.40 0.00 2.74 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 23 I 7.43 3.76 1.68 0.00 0.00 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 1.14 0.28 -0.49 0.00 0.00 24 G 8.02 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 25 W 8.81 5.21 0.00 3.51 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 26 N 8.58 4.58 0.00 2.91 2.99 0.00 0.00 7.10 8.47 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 27 D 8.22 4.75 0.00 2.91 2.88 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 28 W 8.52 4.58 0.00 3.35 3.32 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 29 I 7.78 3.95 1.47 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.12 0.61 0.00 0.00 30 I 8.36 3.94 1.79 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.13 0.84 0.00 0.00 31 A 7.24 4.55 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 32 P 0.00 5.11 0.00 2.45 2.18 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.01 0.00 33 S 8.67 4.52 0.00 4.15 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 0.00 34 G 7.50 3.43 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 0.00 0.00 0.00 0.00 35 Y 6.43 4.71 0.00 3.08 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 36 H 9.02 4.77 0.00 3.12 3.58 0.00 5.90 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.63 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 9.13 4.98 0.00 3.09 3.01 0.00 0.00 6.88 6.74 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 39 Y 7.88 4.78 0.00 3.01 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 40 C 8.95 5.33 0.00 2.91 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 41 E 9.00 4.84 0.00 2.10 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 0.00 2.04 2.21 0.00 42 G 8.61 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 0.00 0.00 0.00 0.00 43 E 7.89 4.46 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 2.63 2.42 0.00 44 C 8.48 4.85 0.00 2.93 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 45 P 0.00 4.45 0.00 2.16 2.15 0.00 3.54 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 *55 S 7.64 4.24 0.00 4.04 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 56 L 8.09 4.62 0.00 1.63 1.62 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.28 4.45 0.00 4.14 4.06 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 58 F 8.80 4.00 0.00 3.21 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 59 H 8.45 4.18 0.00 3.35 3.36 0.00 5.73 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 60 S 8.01 4.15 0.00 4.09 3.91 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 61 T 7.98 3.81 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 1.09 0.00 0.00 62 V 7.45 3.64 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 0.26 0.00 0.00 0.95 0.00 0.00 63 I 7.76 3.87 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.85 0.00 0.00 64 N 8.25 4.33 0.00 2.75 2.83 0.00 0.00 6.56 7.71 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 65 H 7.81 3.85 0.00 3.19 3.40 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.96 3.98 0.00 3.14 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 67 R 7.38 3.85 0.00 1.89 1.87 0.00 3.10 0.00 0.00 3.28 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 68 M 7.10 4.07 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 69 R 8.69 3.98 0.00 1.83 1.89 0.00 3.36 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 70 G 8.82 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 0.00 0.00 0.00 71 H 8.35 4.30 0.00 3.41 3.59 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.05 4.73 0.00 3.83 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 73 P 0.00 4.63 0.00 2.31 2.13 0.00 4.04 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 2.21 2.04 0.00 74 F 8.65 4.96 0.00 3.23 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 75 A 7.99 4.26 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 76 N 8.24 4.64 0.00 2.96 2.85 0.00 0.00 7.20 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 77 L 7.38 4.08 0.00 1.58 1.50 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.45 4.10 0.00 1.74 1.76 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.49 7.81 79 S 8.28 4.42 0.00 3.94 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.90 4.63 0.00 3.00 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 81 C 8.91 5.00 0.00 3.04 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 82 V 8.52 4.70 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 0.74 0.00 0.00 1.00 0.00 0.00 83 P 0.00 4.96 0.00 1.96 2.02 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 84 T 8.94 4.55 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 1.30 0.00 0.00 85 K 7.84 4.65 0.00 1.86 1.73 0.00 1.56 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.55 7.81 86 L 8.69 5.42 0.00 1.66 1.63 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.85 4.91 0.00 1.80 1.82 0.00 3.20 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 88 P 0.00 5.01 0.00 2.08 2.24 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 89 M 8.76 4.84 0.00 1.88 1.80 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 90 S 8.64 4.88 0.00 3.78 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 91 M 9.18 5.00 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 92 L 8.64 5.15 0.00 1.41 1.30 0.81 0.65 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 93 Y 7.93 4.80 0.00 2.37 2.42 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 94 Y 8.51 5.00 0.00 3.23 3.19 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 95 D 8.63 5.05 0.00 3.00 2.94 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 96 D 8.77 4.31 0.00 2.69 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 97 G 8.24 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 0.00 0.00 0.00 0.00 98 Q 8.10 3.80 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 99 N 8.44 4.96 0.00 2.98 2.72 0.00 0.00 7.09 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 0.00 100 I 8.20 4.08 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.48 0.66 0.00 0.00 101 I 8.12 4.33 0.77 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 1.03 0.81 0.68 0.00 0.00 102 K 8.44 4.84 0.00 1.62 1.59 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.32 7.81 103 K 9.06 4.72 0.00 1.80 1.66 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.57 7.81 104 D 8.69 4.97 0.00 2.55 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 0.00 105 I 8.57 4.32 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.81 0.88 0.00 0.00 106 Q 8.73 4.35 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 107 N 8.64 4.30 0.00 2.91 2.96 0.00 0.00 6.96 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 0.00 108 M 8.16 4.49 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.88 0.00 109 I 7.72 4.92 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.12 1.07 0.00 0.00 110 V 8.90 4.09 2.21 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 0.72 0.00 0.00 0.99 0.00 0.00 111 E 9.06 4.56 0.00 2.01 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 0.00 2.26 2.29 0.00 112 E 7.87 4.82 0.00 2.05 1.72 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 2.28 2.34 0.00 113 C 8.56 5.53 0.00 2.83 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 0.00 114 G 8.94 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 0.00 0.00 0.00 0.00 115 C 8.73 5.16 0.00 2.88 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 0.00 116 S 8.70 4.38 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.