NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6913 8.3544 109.7391 45.1649 0.0000 172.6194 *2 L 4.0153 8.0066 119.8383 54.8230 43.1733 175.2993 3 V 4.9050 8.3374 125.9935 61.0164 34.1826 174.5590 4 R 4.7748 8.8663 123.1017 54.6148 33.4407 174.2841 5 T 4.6302 8.3998 116.4840 63.5544 69.2348 174.6164 6 L 4.7222 8.3546 125.6639 53.6396 43.3847 176.9508 7 S 4.3788 9.2752 116.4652 57.5812 64.2617 175.3703 8 A 3.9536 8.5854 122.4086 55.1957 17.9401 179.4701 9 L 3.8963 7.9507 118.3132 58.5883 42.1891 178.9349 10 E 4.0021 8.3481 118.3182 59.5855 29.3208 179.1521 11 C 4.1384 8.1866 117.0726 63.0190 28.1722 176.2356 12 T 3.5430 8.0681 111.4002 64.6383 68.1864 176.6964 13 K 3.9984 7.8983 121.0732 59.1675 31.8350 179.4636 14 V 3.6115 7.4167 117.0981 65.9855 31.9297 177.6941 15 L 4.3038 7.8448 120.0628 57.7152 41.1822 179.7690 16 T 4.2381 7.9686 114.3975 66.3592 68.5221 176.1189 17 A 4.3162 7.9500 120.5048 52.4878 18.8874 176.6986 18 N 5.1827 7.2341 112.5838 51.4639 42.3508 174.3869 19 R 4.1808 8.4444 116.0633 55.4261 32.8781 175.0315 20 V 4.9817 8.0749 119.0228 61.1226 33.8720 174.5843 21 G 4.4206 9.4545 113.6477 44.9669 0.0000 170.8497 22 R 5.0497 8.8511 118.6527 54.0794 33.0007 175.1891 23 L 5.0746 8.7926 125.8403 53.2383 44.4696 174.6309 24 A 5.3836 9.2278 128.6332 50.2639 21.8968 174.8735 25 C 5.2190 8.9441 116.0530 56.5969 33.6430 172.3837 26 A 5.3739 8.3939 118.4913 50.8385 22.1442 175.9949 27 K 3.8122 8.2544 120.6810 55.4747 34.7237 176.3786 28 D 4.4409 9.5866 127.6189 55.4450 38.2287 174.8786 29 G 3.8546 8.2225 105.9387 45.2225 0.0000 173.0985 30 Q 4.4941 7.6934 122.0618 54.1219 30.0528 173.5674 31 P 5.2782 0.0000 0.0000 62.9455 32.9356 175.4646 32 Y 5.0221 9.1307 122.6058 56.3487 42.2523 173.9278 33 V 4.7592 8.1994 125.7574 59.9591 33.9121 175.2740 34 V 4.4812 8.1954 117.2818 58.3204 36.1162 173.3081 35 P 4.8015 0.0000 0.0000 63.1633 32.3494 175.4875 36 L 4.4205 8.5691 122.9195 54.0958 45.9401 173.9413 37 Y 5.3105 8.5309 124.3836 57.7998 39.0087 174.2830 38 Y 5.3018 8.7858 120.8601 55.2214 42.5531 173.8120 39 A 4.6755 9.3364 122.0127 50.3501 21.7366 174.6977 40 Y 5.1254 8.9979 124.4618 57.2081 40.4773 175.1263 41 S 4.0182 8.9319 120.1689 58.1789 67.0523 174.4960 42 D 4.1460 8.3383 128.3760 55.7478 40.9917 173.5085 43 A 4.6225 6.8490 119.1516 52.2195 18.9752 177.0878 44 H 5.3734 8.0657 113.8046 54.9955 33.8143 172.3140 45 L 5.0449 8.8009 121.8093 53.6407 43.7081 175.1159 46 Y 4.8245 9.1681 121.2536 56.4087 40.8038 174.6685 47 A 4.9449 7.9964 123.1202 51.0692 23.3207 174.8983 48 F 5.5476 8.9813 117.1051 55.8028 42.0197 175.5569 49 S 4.3187 9.6714 119.2978 57.4423 68.2636 172.1656 *51 P 4.4397 0.0000 0.0000 61.1814 32.5591 176.8345 52 G 3.9032 7.9407 106.6804 45.3258 0.0000 172.1540 53 K 3.7267 8.1866 119.4155 59.4175 31.8992 179.8341 54 K 3.9682 7.9365 117.1133 60.1591 32.5146 178.6075 55 I 3.5243 7.5095 119.4737 63.9681 37.0628 177.7584 56 E 4.2015 8.3964 119.5980 59.0355 29.1912 179.4787 57 W 4.1998 8.5046 117.7399 57.2824 28.9615 178.4392 *59 R 4.2309 7.9837 119.5514 56.3103 31.5359 177.1198 60 A 3.9841 7.6482 119.3389 54.3195 18.4465 176.7841 61 N 4.7406 8.1321 114.3678 51.1576 40.4285 172.1380 62 P 4.5394 0.0000 0.0000 64.3376 32.7628 176.2035 63 R 4.5550 8.0163 120.6897 56.7203 30.3543 176.3222 64 V 4.7962 9.0797 116.9769 59.6689 36.9387 174.3033 65 S 5.1516 8.8863 115.1600 56.6798 66.1266 172.7156 66 V 4.8776 8.7097 124.9890 61.1002 34.7230 173.7624 67 Q 5.1189 9.2339 128.7940 54.3255 32.0212 174.2410 68 V 4.9042 8.8831 125.3082 61.3528 35.2789 173.6438 69 D 5.4441 8.6401 125.2203 52.2130 42.9592 173.6622 70 E 4.8526 9.0878 115.9262 54.9843 33.3920 174.5048 71 H 4.7338 8.9838 117.7610 56.0882 29.6043 175.8012 72 G 4.4286 8.5941 110.8161 44.5752 0.0000 172.5389 73 Q 4.1243 8.7121 119.7944 56.8615 30.6775 176.0120 74 G 3.8710 8.4813 112.3113 47.2293 0.0000 175.1794 75 R 4.3497 8.6332 124.1225 56.1876 30.5560 176.5156 76 G 3.9347 8.1465 106.9778 46.3946 0.0000 172.4568 77 W 5.5557 7.9526 116.2086 55.6548 32.1642 173.3061 78 K 5.3204 9.1901 119.0876 54.8365 35.7587 175.6370 79 S 5.2311 9.8812 117.9399 56.6119 66.2328 172.6975 80 V 4.9641 9.3298 125.6585 61.0549 34.9415 174.1929 81 V 4.7839 8.8073 126.5099 61.1059 34.5715 174.0309 82 V 4.6110 8.8981 128.2717 61.3980 33.7156 173.9149 83 D 5.1443 9.0805 128.5928 53.1897 42.4031 175.9343 84 G 4.5116 9.2614 110.1887 44.5095 0.0000 170.8322 85 R 5.1761 8.5948 119.8085 54.0956 32.7760 174.0983 86 Y 4.6368 9.1172 128.9937 57.8967 39.8119 174.8207 87 E 4.2536 9.0677 126.9615 54.0909 32.8115 174.0650 88 E 4.0019 8.2697 128.3884 56.0150 30.7448 176.1784 89 L 4.6241 8.2745 127.0080 51.8670 42.7506 174.6574 90 P 4.4630 0.0000 0.0000 62.8133 31.9563 177.0381 91 D 4.6819 8.3156 119.6592 52.7240 39.6715 174.8913 92 L 4.9024 7.4955 122.4302 51.7004 45.8418 177.5942 93 I 3.7813 8.3723 119.8709 64.3383 37.6497 178.3301 94 G 3.6677 8.1014 105.0334 47.0807 0.0000 174.0736 95 H 5.2373 7.8777 117.5570 54.7000 29.3264 176.2836 96 K 3.9243 7.9608 123.9800 59.3448 31.9782 178.5180 97 L 3.9413 7.8579 120.1807 58.2385 41.6930 178.6887 98 Q 3.7799 8.0572 117.4779 58.9932 28.6060 178.8412 99 R 3.1342 8.1903 119.6711 59.2320 30.0679 178.3578 100 D 4.3394 8.4523 119.1994 57.5256 40.9530 178.1995 101 H 4.1070 8.5064 118.7590 59.1203 29.9028 177.1184 102 A 4.0271 8.1136 122.5273 55.0891 18.2362 179.3511 103 W 4.1703 8.7417 127.3761 60.6942 30.4997 178.3103 104 S 3.9259 7.9937 113.3575 61.1990 62.4515 176.2834 105 V 3.6500 7.4482 120.8260 64.4821 31.6440 176.9056 106 L 4.2681 7.4810 116.4887 54.0313 42.4657 178.3428 107 S 2.7900 7.1321 115.1622 60.5847 62.6894 176.4240 108 K 3.5763 7.1688 121.8170 59.7788 32.3495 178.6008 109 H 2.0000 7.1227 116.9978 58.0403 28.3855 177.5884 110 T 3.7354 7.4704 119.7786 67.2052 67.9488 176.6445 111 D 4.1830 6.8860 122.2995 58.3783 39.7042 181.2818 112 W 4.9000 7.7400 118.6449 58.3466 29.2318 177.6228 113 W 4.8481 8.3079 116.5179 57.7848 29.4294 177.0128 114 E 3.3574 7.4121 113.9008 54.5852 28.3690 178.4187 *129 A 4.4567 8.4087 115.4952 53.2751 20.4222 176.0955 130 P 4.5820 0.0000 0.0000 62.5242 32.4465 175.6924 131 H 4.7734 8.6352 117.9342 55.6436 29.8583 174.6043 132 V 4.5374 9.4988 123.8864 61.4629 33.5501 174.1172 133 F 5.5076 8.9572 130.0267 56.6408 41.8113 174.1005 134 F 4.9882 8.1535 119.9542 55.5943 41.9916 172.8745 135 R 4.5888 8.5312 114.3286 54.3517 33.2222 174.0596 136 I 4.8429 8.3582 121.5644 59.3687 39.7130 174.7755 137 L 4.2366 8.7068 130.7755 54.7634 43.1768 175.8713 138 I 4.2299 8.4526 128.4415 61.4202 36.7065 175.5128 139 E 4.3687 9.2198 128.3677 58.1391 30.5063 177.2347 140 Q 4.7992 7.8592 116.3373 54.0826 33.5717 174.6272 141 V 5.0514 8.3197 120.5403 60.1450 34.6014 174.5883 142 S 4.7952 9.2256 116.8619 57.0730 67.0805 172.6909 143 G 4.6148 8.3969 106.0563 45.1151 0.0000 171.5395 144 R 5.2625 9.3145 118.7363 54.1687 34.6866 174.1274 145 E 4.8539 9.2433 123.2607 54.1510 33.0392 174.1564 146 A 4.7945 7.7647 128.0501 49.9709 21.6465 175.2179 147 S 4.8595 8.9855 118.4830 56.1517 66.6499 174.4175 148 E 4.0953 8.6383 120.6768 56.8364 29.2424 177.0191 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 0 G 8.35 3.69 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 0.00 0.00 0.00 *2 L 8.01 4.02 0.00 1.76 1.65 0.89 0.66 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 3 V 8.34 4.91 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 0.88 0.00 0.00 0.84 0.00 0.00 4 R 8.87 4.77 0.00 1.79 1.89 0.00 2.78 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 5 T 8.40 4.63 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 1.21 0.00 0.00 6 L 8.35 4.72 0.00 1.53 1.58 0.94 0.77 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 7 S 9.28 4.38 0.00 3.98 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 8 A 8.59 3.95 1.34 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 0.00 0.00 9 L 7.95 3.90 0.00 1.78 1.69 0.95 1.00 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 10 E 8.35 4.00 0.00 2.29 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 2.33 2.35 0.00 11 C 8.19 4.14 0.00 3.12 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 12 T 8.07 3.54 4.29 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 1.29 0.00 0.00 13 K 7.90 4.00 0.00 1.96 1.92 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.66 7.81 14 V 7.42 3.61 2.20 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 0.88 0.00 0.00 1.00 0.00 0.00 15 L 7.84 4.30 0.00 1.31 1.41 0.44 0.23 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 16 T 7.97 4.24 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 1.33 0.00 0.00 17 A 7.95 4.32 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 18 N 7.23 5.18 0.00 3.02 2.81 0.00 0.00 6.73 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 19 R 8.44 4.18 0.00 1.71 1.73 0.00 3.24 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 20 V 8.07 4.98 2.18 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 0.73 0.00 0.00 1.16 0.00 0.00 21 G 9.45 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 0.00 0.00 0.00 0.00 22 R 8.85 5.05 0.00 1.72 1.74 0.00 3.09 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 23 L 8.79 5.07 0.00 1.73 1.58 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 24 A 9.23 5.38 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 25 C 8.94 5.22 0.00 3.11 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 26 A 8.39 5.37 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 27 K 8.25 3.81 0.00 0.79 0.74 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.68 0.79 7.81 28 D 9.59 4.44 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.69 4.49 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 31 P 0.00 5.28 0.00 2.06 2.04 0.00 3.79 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 2.07 2.13 0.00 32 Y 9.13 5.02 0.00 2.58 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 33 V 8.20 4.76 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 0.73 0.00 0.00 0.82 0.00 0.00 34 V 8.20 4.48 1.84 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 0.13 0.00 0.00 0.61 0.00 0.00 35 P 0.00 4.80 0.00 1.89 1.94 0.00 3.62 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 36 L 8.57 4.42 0.00 1.70 1.52 0.98 1.03 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 37 Y 8.53 5.31 0.00 3.09 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 38 Y 8.79 5.30 0.00 3.16 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 39 A 9.34 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 9.00 5.13 0.00 3.29 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 41 S 8.93 4.02 0.00 3.79 3.69 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 42 D 8.34 4.15 0.00 2.78 1.94 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 43 A 6.85 4.62 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 44 H 8.07 5.37 0.00 3.06 2.59 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.80 5.04 0.00 1.52 1.60 0.64 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 9.17 4.82 0.00 3.10 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 47 A 8.00 4.94 0.93 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 0.00 0.00 48 F 8.98 5.55 0.00 3.36 3.38 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 49 S 9.67 4.32 0.00 4.13 3.72 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 *51 P 0.00 4.44 0.00 2.16 2.06 0.00 3.98 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 52 G 7.94 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 53 K 8.19 3.73 0.00 1.55 1.56 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.53 7.81 54 K 7.94 3.97 0.00 1.86 1.93 0.00 1.54 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.44 7.81 55 I 7.51 3.52 1.98 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 0.92 0.00 0.00 56 E 8.40 4.20 0.00 2.25 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 0.00 2.36 2.53 0.00 57 W 8.50 4.20 0.00 3.48 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 *59 R 7.98 4.23 0.00 1.96 2.05 0.00 3.30 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 60 A 7.65 3.98 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 61 N 8.13 4.74 0.00 2.50 2.70 0.00 0.00 7.28 7.44 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 62 P 0.00 4.54 0.00 2.24 2.41 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 63 R 8.02 4.55 0.00 1.86 1.94 0.00 3.09 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 64 V 9.08 4.80 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 0.80 0.00 0.00 0.98 0.00 0.00 65 S 8.89 5.15 0.00 3.85 3.62 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 66 V 8.71 4.88 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 0.65 0.00 0.00 0.90 0.00 0.00 67 Q 9.23 5.12 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 68 V 8.88 4.90 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 0.86 0.00 0.00 69 D 8.64 5.44 0.00 2.72 2.54 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 0.00 0.00 0.00 0.00 70 E 9.09 4.85 0.00 2.08 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 2.26 2.37 0.00 71 H 8.98 4.73 0.00 3.11 3.36 0.00 5.84 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 72 G 8.59 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 73 Q 8.71 4.12 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.92 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 74 G 8.48 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 75 R 8.63 4.35 0.00 1.84 2.08 0.00 3.40 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 76 G 8.15 3.93 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 0.00 0.00 0.00 77 W 7.95 5.56 0.00 3.49 3.12 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 78 K 9.19 5.32 0.00 1.78 1.76 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.34 7.81 79 S 9.88 5.23 0.00 3.86 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 80 V 9.33 4.96 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 0.95 0.00 0.00 0.92 0.00 0.00 81 V 8.81 4.78 2.07 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 0.95 0.00 0.00 0.92 0.00 0.00 82 V 8.90 4.61 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.83 0.00 0.00 83 D 9.08 5.14 0.00 2.61 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 84 G 9.26 4.51 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 0.00 85 R 8.59 5.18 0.00 1.88 1.76 0.00 3.11 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 86 Y 9.12 4.64 0.00 2.82 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 87 E 9.07 4.25 0.00 1.84 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 1.97 2.08 0.00 88 E 8.27 4.00 0.00 1.84 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 2.30 2.36 0.00 89 L 8.27 4.62 0.00 1.49 1.59 0.49 0.47 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 90 P 0.00 4.46 0.00 2.23 2.12 0.00 3.83 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 2.07 2.00 0.00 91 D 8.32 4.68 0.00 2.68 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 92 L 7.50 4.90 0.00 1.74 1.53 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.37 3.78 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 1.56 1.21 0.90 0.00 0.00 94 G 8.10 3.67 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 0.00 0.00 0.00 95 H 7.88 5.24 0.00 3.31 3.48 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.96 3.92 0.00 1.85 1.86 0.00 1.62 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.41 7.81 97 L 7.86 3.94 0.00 1.78 1.63 0.91 0.91 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 98 Q 8.06 3.78 0.00 2.47 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 99 R 8.19 3.13 0.00 1.60 1.85 0.00 2.89 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 100 D 8.45 4.34 0.00 2.75 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 0.00 101 H 8.51 4.11 0.00 3.23 3.33 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.11 4.03 1.67 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 0.00 0.00 103 W 8.74 4.17 0.00 3.31 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 0.00 104 S 7.99 3.93 0.00 4.01 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 0.00 105 V 7.45 3.65 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 0.75 0.00 0.00 0.79 0.00 0.00 106 L 7.48 4.27 0.00 1.62 1.52 1.28 0.48 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 0.00 107 S 7.13 2.79 0.00 3.09 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 0.00 108 K 7.17 3.58 0.00 1.59 1.77 0.00 1.46 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 0.82 7.81 109 H 7.12 2.00 0.00 2.57 1.57 0.00 5.82 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 0.00 110 T 7.47 3.74 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 0.94 0.00 0.00 111 D 6.89 4.18 0.00 2.73 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 0.00 112 W 7.74 4.90 0.00 3.75 3.27 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 0.00 113 W 8.31 4.85 0.00 3.68 3.36 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 0.00 114 E 7.41 3.36 0.00 2.18 2.07 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 2.12 2.10 0.00 *129 A 8.41 4.46 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 0.00 130 P 0.00 4.58 0.00 2.27 2.10 0.00 3.81 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 2.04 2.03 0.00 131 H 8.64 4.77 0.00 3.31 3.60 0.00 5.68 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 0.00 132 V 9.50 4.54 2.40 0.00 0.00 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 1.07 0.00 0.00 133 F 8.96 5.51 0.00 3.04 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 0.00 134 F 8.15 4.99 0.00 2.70 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 0.00 135 R 8.53 4.59 0.00 0.99 0.75 0.00 2.21 0.00 0.00 2.73 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.27 0.00 136 I 8.36 4.84 1.85 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.18 0.95 0.00 0.00 137 L 8.71 4.24 0.00 1.72 1.63 0.76 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.45 4.23 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.94 0.00 0.00 139 E 9.22 4.37 0.00 1.90 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 2.44 2.42 0.00 140 Q 7.86 4.80 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 141 V 8.32 5.05 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 0.74 0.00 0.00 0.91 0.00 0.00 142 S 9.23 4.80 0.00 3.85 3.93 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 0.00 143 G 8.40 4.61 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 0.00 0.00 0.00 144 R 9.31 5.26 0.00 2.01 1.90 0.00 3.29 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 145 E 9.24 4.85 0.00 1.88 1.61 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 1.98 2.20 0.00 146 A 7.76 4.79 -0.03 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 0.00 147 S 8.99 4.86 0.00 3.57 3.66 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 0.00 148 E 8.64 4.10 0.00 1.94 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 2.32 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.