NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4634 8.3349 117.0990 58.0871 63.9194 173.0228 -1 N 4.5625 8.5224 114.8642 54.0086 38.3939 175.1551 0 A 4.4107 7.5630 121.8405 50.9432 20.6988 176.2258 0 K 4.4107 7.6130 118.4405 54.6432 34.6988 175.0258 3 A 4.0428 8.7303 129.8770 51.3157 18.6812 175.6873 4 P 4.2909 0.0000 0.0000 62.3731 32.1453 176.5483 5 E 4.1920 8.6937 122.1909 56.1410 30.1238 177.1778 6 L 4.1523 8.5431 122.4591 55.1606 42.5250 177.0179 7 Q 4.5853 9.0128 122.2692 54.3985 30.4535 174.1503 8 I 4.5650 8.1189 124.1495 59.4802 39.2287 175.7307 9 Q 4.2972 9.0719 128.1176 58.5785 29.8621 175.5431 10 Q 4.5744 7.3862 113.8257 55.0740 31.6373 173.0847 11 W 5.1598 8.5991 119.6987 55.0525 31.9624 175.1777 12 F 4.8677 9.5612 121.8621 56.1864 42.0617 175.2082 13 N 4.4593 9.2753 116.2021 54.0655 35.8817 174.3367 14 S 4.5025 8.0179 110.7809 56.6331 65.3855 173.7175 15 A 4.1361 8.7370 130.8017 54.3060 18.4993 176.8721 16 T 4.5865 7.2540 103.6513 59.5139 71.7985 173.9905 17 D 4.4452 8.2592 121.8702 52.9178 39.7101 175.1001 18 L 4.0545 6.6714 124.7751 54.3697 42.2842 176.8396 19 T 4.8906 8.4845 112.3092 59.3238 71.9136 174.1891 20 L 4.0994 8.6038 121.6899 57.8973 42.1735 179.8167 21 A 4.0219 8.1487 121.3136 55.2163 18.5216 179.0727 22 D 4.4130 7.9985 114.7332 56.8817 41.1200 177.4907 23 L 4.4838 7.6609 116.9202 53.7784 42.3496 176.0993 24 R 3.9832 7.4078 119.4537 58.3624 30.1199 176.3426 25 G 4.0348 9.1544 114.0458 44.7295 0.0000 173.2567 26 K 4.7261 7.8603 118.9624 54.4788 35.0618 175.9285 27 V 4.1073 8.1475 122.9757 62.8760 32.8962 174.7606 28 I 4.8358 8.9190 128.6860 59.4879 40.1954 174.4342 29 V 4.6785 9.0750 127.4806 61.1863 33.6689 174.2030 30 I 4.9232 8.7431 129.0612 59.4862 40.3110 174.1235 31 E 4.9522 9.3672 129.0338 54.6605 31.1800 174.2163 32 A 5.3299 9.0698 130.9698 50.8938 20.6928 175.8924 33 F 5.2032 8.9212 116.7453 55.8620 42.0909 173.5802 34 Q 4.5868 8.4144 118.1645 55.3153 30.1520 177.5855 *36 L 3.8730 8.4392 126.2074 55.3354 43.4375 175.7177 37 C 4.4588 7.7948 120.9324 57.3001 31.6593 172.5105 38 P 4.3084 0.0000 0.0000 65.6351 31.4687 178.2932 39 G 3.8266 8.1820 106.8323 48.7119 0.0000 175.3612 40 C 4.1506 8.3141 117.5934 62.9542 28.2587 175.8974 41 V 3.9197 7.6180 114.6866 64.2136 30.8287 176.1080 *43 H 4.8856 8.3465 117.0321 55.7495 30.7316 175.9407 44 G 4.0067 8.0675 107.0275 47.5070 0.0000 175.9306 45 I 3.7492 7.9743 123.2572 63.4905 37.1197 176.7779 46 P 4.5158 0.0000 0.0000 64.8548 31.1395 178.3335 47 L 3.9606 8.2290 119.0271 58.1612 42.0227 178.9467 48 A 3.9681 8.1404 120.7089 55.2064 18.0071 179.6016 49 Q 4.1523 8.5284 116.8201 59.1464 28.8034 179.1896 50 K 4.0860 8.2433 119.6026 59.3221 32.1672 179.5901 51 V 3.7444 7.8995 118.5632 66.0454 31.2905 177.8484 52 R 3.9310 7.8917 116.8983 59.7210 29.9737 178.0729 53 A 4.1363 8.1396 118.7301 54.5870 18.4301 178.9180 54 A 3.9498 7.7197 118.6079 52.7555 19.1432 177.5730 55 F 4.8802 7.2718 114.1607 54.7228 42.4028 173.5062 56 P 4.5940 0.0000 0.0000 62.3216 32.0451 177.2893 57 E 4.1694 8.8319 119.7401 59.6059 29.5731 179.1423 58 D 4.2676 8.1219 116.7273 55.1224 40.2023 176.7063 59 K 4.4935 7.8148 118.7692 56.8516 35.0845 176.4720 60 V 4.8146 7.9316 118.8162 60.9349 34.1923 174.8807 61 A 4.5059 8.9455 130.4899 50.9255 20.4552 175.7868 62 V 4.5764 8.3596 122.4974 61.0415 33.4142 174.7209 63 L 5.2137 9.1035 128.0703 52.9762 45.3568 175.8275 64 G 4.8175 9.8229 110.1597 45.0928 0.0000 172.5048 65 L 5.0677 9.3861 125.0686 53.2527 45.2491 175.2036 66 H 4.1055 9.4564 128.8549 55.6381 29.9985 173.5728 67 T 4.7070 7.8530 117.4997 59.9532 68.1666 172.9010 68 V 3.7563 7.7703 128.1946 62.5167 31.7348 175.4969 69 F 5.3302 8.4639 121.1016 55.5358 38.5597 174.4799 70 E 4.4358 7.2574 117.5401 55.8406 32.5446 173.6697 71 H 4.1967 8.5486 113.3849 56.7718 26.5029 176.6770 72 H 4.0313 8.4059 116.9372 58.9981 28.9289 177.4205 73 E 4.0681 8.1611 115.0723 58.3605 29.6628 176.5387 74 A 4.3789 7.6918 122.6405 52.7085 19.3128 177.4802 *76 T 4.1729 7.6581 109.2459 62.4448 71.1797 171.8511 77 P 4.3724 0.0000 0.0000 65.9670 30.7607 178.6267 78 I 3.7052 7.8562 116.8630 64.3172 37.8775 178.0265 79 S 4.1525 7.5918 113.5288 61.3302 62.6485 176.3098 80 L 3.8125 7.9984 123.1401 57.9313 41.7960 178.6605 81 K 3.1466 7.8395 119.4929 59.5305 32.0044 178.4898 82 A 3.9915 7.6460 119.9873 54.9596 18.2041 179.3685 83 F 4.1832 8.4188 119.2384 61.5554 39.5224 177.3564 84 L 3.8227 8.4509 119.0568 57.8696 41.4806 179.0371 85 H 4.0328 8.1477 118.0975 59.4724 29.6711 177.3124 86 E 3.8951 8.4053 119.2772 58.9971 29.3292 177.9760 87 Y 3.9948 7.7665 114.0389 56.5446 38.6203 175.4137 88 R 3.5983 7.3484 117.7869 57.0060 28.3575 176.8367 89 I 3.9072 7.5878 118.0628 60.4768 37.5204 176.5213 90 K 4.3670 8.2010 124.3655 56.1579 33.5823 176.7657 91 F 4.6915 7.1883 113.4516 55.3185 39.1469 173.2523 92 P 4.9346 0.0000 0.0000 62.9109 32.6690 175.6577 93 V 5.2531 9.4945 123.3489 61.3336 34.8734 174.1824 94 G 3.3933 9.0303 115.4762 44.0139 0.0000 172.4763 95 V 4.2555 8.3436 125.0089 61.7643 32.5923 174.8779 96 D 4.7611 8.5080 128.7566 54.1659 41.9178 176.0184 97 Q 4.3264 8.5083 124.1110 54.8618 30.1088 174.1666 98 P 4.4244 0.0000 0.0000 62.8820 31.8958 176.6565 99 G 4.0026 8.2476 110.9603 44.0594 0.0000 173.1071 100 D 4.5183 8.8430 118.4471 56.7588 41.4939 177.0765 101 G 4.1945 7.5509 108.4998 44.9761 0.0000 175.0933 102 A 4.1861 8.3161 119.9233 51.1915 17.4398 174.9695 *104 P 4.6896 0.0000 0.0000 63.0572 33.0721 177.1797 105 R 4.0756 9.1337 117.8345 59.9797 30.0991 180.7141 106 T 4.3343 8.9505 113.5240 63.9004 67.9742 176.4964 *108 A 4.1669 8.2485 125.6492 52.2373 20.4142 179.6004 109 A 3.9122 8.1289 117.4495 55.5822 18.3583 178.0145 110 Y 4.0935 8.3179 110.3214 57.1832 38.2694 173.8506 111 Q 2.9865 7.9361 121.0545 56.4250 28.4324 174.2246 *113 R 3.9039 8.5293 119.7623 54.4429 32.1139 175.5853 114 G 3.5543 5.9433 103.2223 45.7275 0.0000 171.4142 115 T 5.0406 8.3513 108.3772 58.8230 71.9308 171.6564 116 P 4.9366 0.0000 0.0000 63.2202 32.8979 175.1659 117 S 5.4413 9.1867 117.5515 56.7667 67.2724 172.6567 118 L 5.2204 9.3032 124.8489 53.3652 44.8491 175.0058 119 L 5.2487 9.0267 126.2639 52.8891 45.0919 175.3203 120 L 5.1384 8.7914 122.4278 53.0685 44.7256 175.3668 121 I 5.0015 8.7126 125.4339 59.4222 40.0929 175.6275 122 D 4.8922 8.9085 126.8339 52.2689 41.0146 177.4742 123 K 4.0968 9.0433 116.4235 58.4931 32.0370 178.6477 124 A 4.2066 8.1168 119.2297 52.4194 19.3071 177.8382 125 G 3.9835 8.5312 104.9623 45.1370 0.0000 172.8150 126 D 4.8621 8.4271 120.1028 52.5275 41.9962 175.7499 127 L 4.3980 8.4191 125.4230 55.2943 42.5435 176.4527 128 R 4.7408 9.2053 123.8924 56.2508 32.7831 175.6751 129 A 4.6802 7.7889 118.9270 51.0133 23.0637 175.2576 130 H 4.9943 8.4874 120.1278 55.9224 32.0737 172.1160 131 H 5.1153 9.6896 124.2309 53.8693 31.7579 173.1954 132 F 5.2381 9.2077 124.8263 57.5193 40.6690 174.8204 133 G 3.7399 9.3257 114.3679 44.7439 0.0000 173.3563 134 D 4.3890 8.3682 124.1402 54.1486 41.3383 175.6989 135 V 4.2980 8.0036 122.9530 60.1948 34.3246 175.4105 136 S 4.2114 8.5047 121.3470 58.2638 63.3665 174.7159 137 E 3.9867 8.8327 128.9492 59.3167 29.3487 179.0705 138 L 3.9778 7.9504 118.6218 57.9254 41.7078 179.1862 139 L 3.9591 7.9183 119.9093 58.0171 41.9343 178.7656 140 L 4.0201 8.1869 120.4363 58.1563 42.0336 179.0240 141 G 3.8111 8.4334 105.7089 47.8570 0.0000 175.3434 142 A 4.0367 8.1658 123.0626 55.0144 18.4219 179.6021 143 E 3.9187 8.3859 117.1269 59.6678 29.5220 179.6895 144 I 3.5489 8.0472 119.8902 64.2253 37.0172 178.3797 145 A 4.0286 8.2288 121.7299 55.3919 17.9884 179.6205 146 T 3.8071 7.7959 113.2664 67.0592 68.7319 176.4714 147 L 4.1583 7.9408 120.6091 57.5732 41.4257 179.5039 148 L 4.1321 8.2253 118.9625 57.3491 41.6369 178.9286 149 G 3.7861 8.1149 103.3578 44.8851 0.0000 173.4048 150 E 4.4261 7.1883 120.5662 54.6184 30.8452 176.1841 151 A 4.0384 8.3762 124.8074 51.8065 19.0702 177.6829 152 A 4.1424 8.4591 125.4334 51.4247 19.1712 175.8349 153 P 4.4224 0.0000 0.0000 63.0943 31.3577 176.3929 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 4.46 0.00 3.65 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 -1 N 8.52 4.56 0.00 2.78 2.86 0.00 0.00 6.89 6.46 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 A 7.56 4.41 1.25 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 0.00 0.00 0.00 0 K 7.61 4.41 0.00 1.59 1.59 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.30 7.81 3 A 8.73 4.04 1.43 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 4 P 0.00 4.29 0.00 1.60 1.83 0.00 2.20 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.81 0.00 5 E 8.69 4.19 0.00 1.99 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 2.34 2.30 0.00 6 L 8.54 4.15 0.00 1.80 1.68 1.20 0.92 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 7 Q 9.01 4.59 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 8 I 8.12 4.56 1.72 0.00 0.00 0.50 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 0.47 -0.07 0.00 0.00 9 Q 9.07 4.30 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 10 Q 7.39 4.57 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 11 W 8.60 5.16 0.00 3.12 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 12 F 9.56 4.87 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 13 N 9.28 4.46 0.00 3.14 3.14 0.00 0.00 6.65 7.57 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 14 S 8.02 4.50 0.00 3.68 3.61 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 15 A 8.74 4.14 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.25 4.59 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 1.16 0.00 0.00 17 D 8.26 4.45 0.00 2.72 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 18 L 6.67 4.05 0.00 0.41 1.24 0.39 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.48 4.89 4.31 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 1.28 0.00 0.00 20 L 8.60 4.10 0.00 1.79 1.82 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.15 4.02 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 22 D 8.00 4.41 0.00 2.81 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 23 L 7.66 4.48 0.00 1.87 1.66 0.92 0.70 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 24 R 7.41 3.98 0.00 1.84 1.88 0.00 3.24 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 25 G 9.15 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 26 K 7.86 4.73 0.00 1.85 1.69 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.35 7.81 27 V 8.15 4.11 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 0.89 0.00 0.00 0.87 0.00 0.00 28 I 8.92 4.84 1.88 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 1.11 0.84 0.93 0.00 0.00 29 V 9.08 4.68 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 0.85 0.00 0.00 0.83 0.00 0.00 30 I 8.74 4.92 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.66 0.87 0.00 0.00 31 E 9.37 4.95 0.00 2.05 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 0.00 2.27 2.48 0.00 32 A 9.07 5.33 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 33 F 8.92 5.20 0.00 3.22 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 34 Q 8.41 4.59 0.00 1.98 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.74 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 *36 L 8.44 3.87 0.00 1.54 1.65 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 37 C 7.79 4.46 0.00 2.95 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 38 P 0.00 4.31 0.00 2.11 2.13 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 39 G 8.18 3.83 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 0.00 0.00 0.00 40 C 8.31 4.15 0.00 3.37 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 41 V 7.62 3.92 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 0.68 0.00 0.00 1.02 0.00 0.00 *43 H 8.35 4.89 0.00 3.37 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.07 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 0.00 0.00 0.00 45 I 7.97 3.75 1.80 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.48 0.83 0.00 0.00 46 P 0.00 4.52 0.00 2.18 2.13 0.00 3.99 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 2.12 2.03 0.00 47 L 8.23 3.96 0.00 1.84 1.95 0.95 0.98 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 48 A 8.14 3.97 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 Q 8.53 4.15 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.61 2.80 0.00 50 K 8.24 4.09 0.00 2.01 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.69 7.81 51 V 7.90 3.74 2.23 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 1.07 0.00 0.00 1.02 0.00 0.00 52 R 7.89 3.93 0.00 1.92 2.24 0.00 3.43 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 53 A 8.14 4.14 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 54 A 7.72 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.27 4.88 0.00 3.06 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 56 P 0.00 4.59 0.00 2.47 2.21 0.00 3.93 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 57 E 8.83 4.17 0.00 2.04 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 2.44 2.28 0.00 58 D 8.12 4.27 0.00 2.79 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 59 K 7.81 4.49 0.00 1.78 1.88 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.54 7.81 60 V 7.93 4.81 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 0.61 0.00 0.00 0.68 0.00 0.00 61 A 8.95 4.51 1.23 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 62 V 8.36 4.58 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 0.21 0.00 0.00 0.85 0.00 0.00 63 L 9.10 5.21 0.00 1.69 1.83 1.09 0.77 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 64 G 9.82 4.82 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 65 L 9.39 5.07 0.00 1.69 1.51 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.46 4.11 0.00 2.90 3.01 0.00 5.64 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 67 T 7.85 4.71 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 1.27 0.00 0.00 68 V 7.77 3.76 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 0.58 0.00 0.00 0.50 0.00 0.00 69 F 8.46 5.33 0.00 3.08 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 70 E 7.26 4.44 0.00 1.74 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 1.51 1.98 0.00 71 H 8.55 4.20 0.00 3.17 3.24 0.00 5.64 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 72 H 8.41 4.03 0.00 3.08 3.37 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.16 4.07 0.00 2.08 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 0.00 2.28 2.25 0.00 74 A 7.69 4.38 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.66 4.17 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 1.31 0.00 0.00 77 P 0.00 4.37 0.00 2.32 2.43 0.00 3.65 0.00 0.00 3.73 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 78 I 7.86 3.71 1.91 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 1.66 1.38 0.93 0.00 0.00 79 S 7.59 4.15 0.00 4.00 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 80 L 8.00 3.81 0.00 1.57 1.63 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.84 3.15 0.00 1.70 1.88 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.52 7.81 82 A 7.65 3.99 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 F 8.42 4.18 0.00 3.17 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 84 L 8.45 3.82 0.00 1.59 1.62 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.15 4.03 0.00 3.26 3.46 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 86 E 8.41 3.90 0.00 1.92 1.75 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 2.51 2.48 0.00 87 Y 7.77 3.99 0.00 2.34 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 88 R 7.35 3.60 0.00 1.87 1.89 0.00 3.05 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 89 I 7.59 3.91 1.60 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.47 0.05 0.00 0.00 90 K 8.20 4.37 0.00 1.73 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.32 7.81 91 F 7.19 4.69 0.00 3.31 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 92 P 0.00 4.93 0.00 2.27 2.02 0.00 3.97 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 93 V 9.49 5.25 2.41 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 1.21 0.00 0.00 1.18 0.00 0.00 94 G 9.03 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 0.00 0.00 0.00 95 V 8.34 4.26 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 0.69 0.00 0.00 1.08 0.00 0.00 96 D 8.51 4.76 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.51 4.33 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 98 P 0.00 4.42 0.00 2.15 2.04 0.00 3.73 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 1.97 1.95 0.00 99 G 8.25 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 0.00 0.00 0.00 100 D 8.84 4.52 0.00 2.67 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 0.00 101 G 7.55 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 0.00 0.00 0.00 0.00 102 A 8.32 4.19 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 *104 P 0.00 4.69 0.00 2.34 2.12 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 105 R 9.13 4.08 0.00 1.85 2.14 0.00 3.12 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 106 T 8.95 4.33 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 1.28 0.00 0.00 *108 A 8.25 4.17 1.35 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 0.00 0.00 0.00 109 A 8.13 3.91 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 0.00 0.00 0.00 0.00 0.00 110 Y 8.32 4.09 0.00 3.03 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 0.00 111 Q 7.94 2.99 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 *113 R 8.53 3.90 0.00 0.95 1.54 0.00 3.36 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.43 0.00 114 G 5.94 3.55 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 0.00 0.00 0.00 115 T 8.35 5.04 4.44 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 1.42 0.00 0.00 116 P 0.00 4.94 0.00 2.31 2.35 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 117 S 9.19 5.44 0.00 3.84 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 0.00 118 L 9.30 5.22 0.00 1.70 1.57 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 119 L 9.03 5.25 0.00 1.46 1.49 0.64 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.79 5.14 0.00 1.57 1.53 1.00 0.53 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 0.00 121 I 8.71 5.00 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 1.00 0.00 0.00 122 D 8.91 4.89 0.00 2.78 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 0.00 123 K 9.04 4.10 0.00 1.83 1.91 0.00 2.01 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.66 1.40 7.81 124 A 8.12 4.21 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 0.00 125 G 8.53 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 0.00 0.00 0.00 126 D 8.43 4.86 0.00 3.04 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 0.00 127 L 8.42 4.40 0.00 1.64 1.60 1.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 128 R 9.21 4.74 0.00 1.65 1.92 0.00 3.38 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 129 A 7.79 4.68 1.18 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 0.00 130 H 8.49 4.99 0.00 3.14 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 9.69 5.12 0.00 3.12 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.21 5.24 0.00 2.90 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 0.00 133 G 9.33 3.74 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 0.00 0.00 0.00 134 D 8.37 4.39 0.00 2.60 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 0.00 135 V 8.00 4.30 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 0.66 0.00 0.00 0.98 0.00 0.00 136 S 8.50 4.21 0.00 3.91 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 0.00 137 E 8.83 3.99 0.00 2.06 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 2.42 2.42 0.00 138 L 7.95 3.98 0.00 1.69 1.74 0.93 0.55 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 0.00 139 L 7.92 3.96 0.00 1.77 1.80 0.94 0.48 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 0.00 140 L 8.19 4.02 0.00 1.85 1.67 0.93 0.90 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 0.00 141 G 8.43 3.81 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 0.00 0.00 0.00 142 A 8.17 4.04 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 0.00 143 E 8.39 3.92 0.00 2.20 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 2.58 0.00 144 I 8.05 3.55 1.58 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 1.22 0.59 -0.05 0.00 0.00 145 A 8.23 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 0.00 146 T 7.80 3.81 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 1.21 0.00 0.00 147 L 7.94 4.16 0.00 1.77 1.67 0.89 0.69 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 0.00 148 L 8.23 4.13 0.00 1.73 1.74 0.94 0.75 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 0.00 149 G 8.11 3.79 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 0.00 0.00 0.00 150 E 7.19 4.43 0.00 2.08 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 2.30 2.43 0.00 151 A 8.38 4.04 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 0.00 152 A 8.46 4.14 1.25 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 0.00 0.00 0.00 153 P 0.00 4.42 0.00 2.19 2.05 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.