NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6834 8.4201 117.7903 52.2117 40.5613 173.9345 7 A 4.0266 7.7275 121.9119 49.5272 19.7587 175.1749 8 P 4.5940 0.0000 0.0000 62.4943 33.8052 174.4369 9 L 4.5861 8.4249 121.0205 54.7230 42.8143 176.1806 10 L 4.3913 8.4476 124.0693 54.2777 42.7393 176.3061 11 E 4.6030 9.3789 126.3568 54.3570 31.2711 175.2575 12 L 4.2321 8.5292 124.0430 54.3037 42.4969 176.7759 13 D 4.7496 8.5286 123.6776 52.7469 41.3304 175.9653 14 V 4.3150 8.0297 124.3142 60.9548 33.1565 175.0223 15 Q 4.2811 8.9329 130.4949 58.9937 29.5276 175.8605 16 E 4.8277 7.7719 114.3033 55.1994 33.0175 174.1814 17 W 5.0095 8.8681 121.4967 55.5432 29.9788 176.7061 18 V 4.0431 8.5857 124.2473 64.3546 31.3736 176.4194 19 N 5.0995 8.1449 113.7374 52.4812 38.3106 172.7241 20 H 4.6950 8.0787 118.7818 56.0368 32.7880 173.3582 21 E 4.1216 8.0821 118.8279 55.1293 30.1584 177.1893 22 G 2.6297 8.2159 110.9732 44.6494 0.0000 172.6976 23 L 4.4160 6.2071 120.2932 52.2658 43.6959 177.1839 24 S 4.5237 8.3223 118.1006 57.5412 64.4460 174.5916 25 N 4.5649 8.8946 120.6114 57.2246 37.7789 178.2151 26 E 4.0894 8.1880 119.0363 60.9195 29.5532 180.7022 27 D 4.4374 7.9453 117.5980 57.5013 41.3071 178.1504 28 L 4.3486 8.0475 120.3193 55.4194 42.1025 177.9096 29 R 4.2134 6.8325 117.9222 57.4274 29.7702 182.7310 30 G 4.0669 9.9052 111.0246 44.7517 0.0000 173.3103 31 K 4.7397 7.6692 117.8429 54.1070 36.7288 175.7549 32 V 4.0270 8.3495 123.1336 62.8638 32.9634 174.8620 33 V 4.8510 8.7089 127.4378 61.0514 34.3377 174.1923 34 V 4.6979 8.6745 127.7132 61.2290 33.8713 174.1947 35 V 4.6389 8.7783 129.4236 61.4028 33.0583 174.0496 36 E 4.6913 9.2285 130.7116 55.0022 31.2105 174.7644 37 V 4.8611 8.7992 128.9992 61.6232 33.1362 174.6572 38 F 5.2668 8.9201 122.3527 55.3526 41.1878 173.7451 39 Q 4.4151 8.5189 118.6847 55.1887 32.0720 177.3575 *41 L 4.0585 8.3836 125.6364 55.4827 43.3913 175.9934 42 C 4.7464 7.5586 118.4452 56.8661 33.5698 172.1655 43 P 4.4028 0.0000 0.0000 66.0457 30.9182 178.8045 44 G 3.5982 8.0777 105.0009 47.6389 0.0000 175.3741 45 C 4.1971 8.0180 118.6025 62.6805 28.0990 176.5019 46 V 3.6435 7.9286 112.8903 64.6843 31.2903 178.2496 47 N 4.5928 8.3126 114.9431 55.6753 38.5963 174.4822 48 H 4.6650 8.0753 116.5269 57.3625 32.4396 175.5182 49 G 3.7200 8.3232 107.1441 47.2305 0.0000 175.7060 50 V 3.6078 7.9630 121.0026 65.3046 31.6168 176.3274 51 P 4.3028 0.0000 0.0000 65.5820 31.2656 178.3226 52 Q 3.9380 8.1241 118.2308 59.1235 28.9764 178.2370 53 A 3.9342 8.0079 121.8336 55.1643 18.2978 179.6086 54 Q 4.2752 8.6718 117.0664 59.0338 28.5786 178.9049 55 K 3.9370 7.9456 119.5656 59.6337 32.3195 178.5760 56 I 3.8545 7.3185 118.3640 64.5606 37.0829 177.6087 57 H 4.4396 8.1297 117.9073 59.2961 29.7863 178.1997 58 R 3.9353 7.8064 115.1882 56.1483 30.0246 176.4550 *60 I 3.9279 7.1539 118.3630 61.3111 38.4270 175.2933 61 D 4.7610 8.1612 122.8010 53.4316 41.8784 177.4348 62 E 4.8278 8.8190 119.2895 57.7839 29.8181 178.6803 63 S 4.2624 8.1380 113.5606 60.8530 63.6779 175.1534 64 Q 4.3529 8.6092 119.6692 56.8269 29.9225 175.5420 65 V 4.9072 7.3979 116.3813 61.0577 35.3597 173.3826 66 Q 4.8983 8.8356 128.5779 54.3504 31.3148 173.9906 67 V 4.5488 8.3656 126.2959 61.4539 33.1528 174.6969 68 I 4.8369 8.7717 128.8762 59.5021 40.4125 174.6948 69 G 4.6297 9.5631 114.9084 45.1367 0.0000 172.3297 70 L 5.1293 9.2759 126.5395 53.3174 45.1674 174.9507 71 H 4.5098 8.9213 128.3744 54.7914 30.5691 174.1853 72 S 4.8676 8.1387 123.2783 56.5827 63.7781 173.2351 73 V 3.8081 7.9406 124.3563 61.8186 31.7630 175.6984 74 F 5.2338 8.4410 120.5661 55.4037 38.8227 174.6838 75 E 4.4258 6.9251 117.6799 55.9461 32.6302 173.9773 76 H 4.0681 8.5030 114.0918 57.2941 26.3465 176.6591 77 H 4.0998 8.3131 117.1744 58.9105 29.1057 177.4637 78 D 4.4392 8.1595 117.4913 55.8191 39.7975 177.2190 79 V 4.0094 7.1303 115.2916 60.6279 31.0212 175.4097 *81 T 4.1560 7.2838 110.8074 60.9731 71.7038 172.5550 82 P 4.3563 0.0000 0.0000 66.0115 30.7595 179.5798 83 E 4.0044 8.1699 116.8991 61.0753 29.7543 182.7137 84 A 4.2532 7.6752 120.8637 54.8580 18.3628 179.5066 85 L 3.9610 7.9919 121.3754 58.8593 42.0174 180.0435 86 K 4.0737 8.0220 123.3331 59.6932 31.5914 181.3135 87 V 3.8368 7.6174 118.6352 65.9207 31.5106 177.9426 88 F 4.2034 8.3397 120.4656 61.2993 39.1837 177.1732 89 I 3.7063 8.2301 119.5433 64.5533 36.9019 178.2249 90 D 4.3115 7.8903 119.8297 57.3281 40.4418 178.4175 91 E 3.8560 8.1890 118.8255 58.7224 29.7273 177.9322 92 F 4.1207 8.0325 114.9147 56.0077 39.4843 175.8119 93 G 3.8640 7.8944 106.7377 46.4326 0.0000 174.1537 94 I 3.7340 7.6759 120.4946 60.5757 37.5551 176.5067 95 K 4.4458 8.1613 122.7099 56.0346 33.9888 176.5367 96 F 4.4731 7.2312 113.4301 55.2153 39.0454 173.3211 97 P 4.8002 0.0000 0.0000 62.9618 32.5302 175.4436 98 V 5.1607 9.6146 124.0196 61.1007 34.4577 173.9409 99 A 4.8358 8.9263 129.5189 49.8583 22.1104 174.9806 100 V 4.2729 7.9784 121.4908 60.5073 32.9764 175.3603 101 D 4.9311 8.4644 129.9776 53.2378 42.6948 176.8763 *103 P 4.2256 0.0000 0.0000 62.3097 32.4032 175.3125 104 R 4.5739 8.0311 119.2718 54.5637 32.8407 176.0112 105 E 4.2012 8.6634 118.5914 57.1579 30.0739 175.7304 106 G 4.0015 9.0083 111.6889 44.7082 0.0000 172.7830 107 Q 4.6238 7.6234 117.1677 53.5846 31.9325 176.0139 108 R 4.0363 8.6818 121.3995 59.0441 30.4795 176.9153 109 I 4.2089 7.5255 118.3479 59.5893 37.9099 174.0856 110 P 4.5560 0.0000 0.0000 61.9169 32.6856 176.5394 111 S 4.1455 8.5819 113.0512 61.9865 62.6547 177.5253 112 T 3.6893 8.3828 114.8456 63.9468 67.8480 176.1681 *114 K 4.0972 8.2215 124.2983 56.3697 33.8675 177.6377 115 K 3.7128 7.8634 118.3308 59.3770 31.9576 176.8835 116 Y 4.6859 7.4914 112.6442 57.0479 38.2498 175.4951 117 R 3.7517 7.5459 117.5861 56.9352 28.3078 176.8486 118 L 4.1487 7.7042 115.6934 54.7703 42.4972 178.1958 119 E 3.7956 8.6619 121.8526 56.9620 29.9361 177.7106 120 G 3.7416 6.5286 103.6564 45.7335 0.0000 170.8807 121 T 5.1113 8.3112 109.9216 59.1685 71.6037 172.4385 122 P 4.9368 0.0000 0.0000 63.1132 33.1770 175.0805 123 S 5.3759 8.9261 116.2601 56.8797 67.7090 172.9484 124 I 5.0468 8.7125 115.4962 59.2195 40.7742 174.2292 125 I 5.0085 8.6055 124.7385 59.5503 40.3001 174.2715 126 L 5.2079 8.8873 126.7511 52.8825 44.1354 175.3326 127 A 5.2352 8.6832 125.6615 49.9368 22.3665 175.6908 128 D 5.0354 8.5970 120.9455 52.4507 41.2127 177.6643 129 R 4.2632 8.7337 118.3622 58.9578 28.7570 179.0876 130 K 4.4076 8.3938 118.9912 54.1127 31.7507 182.7419 131 G 3.7641 8.4605 107.4952 46.6055 0.0000 173.6288 132 R 4.9232 7.4091 114.9650 53.7948 31.6307 175.3248 133 I 4.3599 8.5601 122.3684 61.4240 37.4802 175.9170 134 R 4.5242 8.7453 124.7556 56.9956 32.0340 176.9083 135 Q 4.5889 7.7796 116.1594 54.0601 33.5722 174.3961 136 V 4.7472 8.4017 121.8228 61.2702 34.2660 174.1700 137 Q 4.6939 8.9497 129.2910 54.2443 31.8739 173.7626 138 F 4.9865 9.0761 128.4541 58.3610 41.1054 176.1786 139 G 3.2506 7.5145 111.8467 43.8691 0.0000 172.0550 140 Q 3.8706 8.1375 119.9519 55.9250 29.3670 176.0294 141 V 4.3238 8.0536 124.9224 60.7844 33.5747 175.1837 142 D 4.5560 8.4761 126.0045 54.1625 43.0407 176.7352 143 D 4.3835 8.8015 126.2255 57.4721 40.9400 178.9002 144 F 4.2741 8.3306 120.5924 61.3775 39.5192 177.1691 145 V 3.3424 7.8568 117.5982 65.8452 31.3268 177.7066 146 L 4.0208 8.3135 120.5586 57.9665 41.8395 179.1666 147 G 3.5760 8.1339 105.7024 47.7683 0.0000 175.6205 148 L 3.8504 7.5314 121.5533 57.3745 41.4666 179.6960 149 L 3.9418 7.7719 118.8269 57.7274 41.5957 179.5609 150 L 4.0512 8.0169 119.0172 57.8096 41.0589 179.8472 151 G 3.6056 8.2349 105.7678 47.7453 0.0000 175.6421 152 S 4.1086 8.1120 115.4146 61.2095 62.1890 176.3157 153 L 4.0074 7.4801 120.3661 57.8171 41.4301 179.2005 154 L 4.1297 7.9620 118.2350 56.9497 41.6197 178.7042 155 S 4.6156 7.4786 111.2119 57.6431 64.3836 174.5662 156 E 4.1714 7.2292 120.1681 56.3436 30.1302 176.9736 157 T 4.1685 8.2634 109.4262 61.9110 68.9573 173.9085 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 6 N 8.42 4.68 0.00 2.76 2.65 0.00 0.00 6.67 6.57 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 7 A 7.73 4.03 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 8 P 0.00 4.59 0.00 2.30 2.26 0.00 3.42 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 9 L 8.42 4.59 0.00 1.60 1.68 0.94 1.00 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 10 L 8.45 4.39 0.00 1.59 1.69 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 11 E 9.38 4.60 0.00 2.02 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 2.32 0.00 12 L 8.53 4.23 0.00 1.77 1.64 1.10 1.17 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 13 D 8.53 4.75 0.00 2.62 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 14 V 8.03 4.31 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 0.29 0.00 0.00 0.68 0.00 0.00 15 Q 8.93 4.28 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 16 E 7.77 4.83 0.00 2.10 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 2.25 2.32 0.00 17 W 8.87 5.01 0.00 3.32 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 18 V 8.59 4.04 2.29 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 0.85 0.00 0.00 0.96 0.00 0.00 19 N 8.14 5.10 0.00 2.86 2.86 0.00 0.00 5.77 7.90 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 20 H 8.08 4.69 0.00 3.19 3.28 0.00 5.73 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.08 4.12 0.00 2.03 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 2.23 1.87 0.00 22 G 8.22 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 0.00 0.00 0.00 23 L 6.21 4.42 0.00 1.28 1.43 0.23 0.79 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 24 S 8.32 4.52 0.00 3.98 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 25 N 8.89 4.56 0.00 2.79 2.93 0.00 0.00 6.92 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 26 E 8.19 4.09 0.00 1.97 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 2.31 1.97 0.00 27 D 7.95 4.44 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 28 L 8.05 4.35 0.00 1.72 1.71 0.99 0.76 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 29 R 6.83 4.21 0.00 1.65 1.72 0.00 3.30 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 30 G 9.91 4.07 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 0.00 31 K 7.67 4.74 0.00 1.84 1.65 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.52 1.35 7.81 32 V 8.35 4.03 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 0.91 0.00 0.00 0.92 0.00 0.00 33 V 8.71 4.85 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 0.95 0.00 0.00 0.94 0.00 0.00 34 V 8.67 4.70 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 0.89 0.00 0.00 0.89 0.00 0.00 35 V 8.78 4.64 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 0.91 0.00 0.00 0.96 0.00 0.00 36 E 9.23 4.69 0.00 2.03 1.80 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 2.25 2.42 0.00 37 V 8.80 4.86 2.25 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 0.95 0.00 0.00 0.98 0.00 0.00 38 F 8.92 5.27 0.00 3.17 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 39 Q 8.52 4.42 0.00 1.94 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 *41 L 8.38 4.06 0.00 1.59 1.69 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.56 4.75 0.00 3.02 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 43 P 0.00 4.40 0.00 2.33 2.33 0.00 3.78 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 2.10 2.06 0.00 44 G 8.08 3.60 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 0.00 0.00 0.00 45 C 8.02 4.20 0.00 3.19 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 46 V 7.93 3.64 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 0.67 0.00 0.00 1.03 0.00 0.00 47 N 8.31 4.59 0.00 2.81 2.94 0.00 0.00 6.81 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 48 H 8.08 4.66 0.00 3.11 3.34 0.00 5.68 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 49 G 8.32 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 0.00 0.00 0.00 50 V 7.96 3.61 2.16 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 1.10 0.00 0.00 0.69 0.00 0.00 51 P 0.00 4.30 0.00 2.19 2.11 0.00 3.62 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 2.33 2.21 0.00 52 Q 8.12 3.94 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 53 A 8.01 3.93 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 54 Q 8.67 4.28 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 55 K 7.95 3.94 0.00 1.85 2.07 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 56 I 7.32 3.85 1.99 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 1.40 0.91 0.89 0.00 0.00 57 H 8.13 4.44 0.00 3.27 3.68 0.00 5.78 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 58 R 7.81 3.94 0.00 1.95 1.94 0.00 3.41 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 *60 I 7.15 3.93 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 1.41 0.48 0.91 0.00 0.00 61 D 8.16 4.76 0.00 2.78 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 62 E 8.82 4.83 0.00 1.98 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 2.37 2.29 0.00 63 S 8.14 4.26 0.00 3.97 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 64 Q 8.61 4.35 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 65 V 7.40 4.91 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 0.96 0.00 0.00 0.92 0.00 0.00 66 Q 8.84 4.90 0.00 2.22 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 67 V 8.37 4.55 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 -0.02 0.00 0.00 0.82 0.00 0.00 68 I 8.77 4.84 1.96 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 1.36 0.67 1.18 0.00 0.00 69 G 9.56 4.63 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 0.00 0.00 0.00 70 L 9.28 5.13 0.00 1.71 1.53 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.92 4.51 0.00 2.75 2.92 0.00 5.65 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 72 S 8.14 4.87 0.00 3.74 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 73 V 7.94 3.81 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 0.53 0.00 0.00 0.57 0.00 0.00 74 F 8.44 5.23 0.00 3.10 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 E 6.93 4.43 0.00 1.63 1.69 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 1.47 1.78 0.00 76 H 8.50 4.07 0.00 3.24 3.29 0.00 5.63 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 77 H 8.31 4.10 0.00 3.08 3.36 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 78 D 8.16 4.44 0.00 2.76 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 79 V 7.13 4.01 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 0.71 0.00 0.00 0.94 0.00 0.00 *81 T 7.28 4.16 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 82 P 0.00 4.36 0.00 2.18 2.14 0.00 3.59 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 2.10 2.13 0.00 83 E 8.17 4.00 0.00 1.97 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 2.31 1.95 0.00 84 A 7.68 4.25 1.41 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 0.00 0.00 0.00 85 L 7.99 3.96 0.00 1.91 1.77 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.02 4.07 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 87 V 7.62 3.84 2.29 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 1.00 0.00 0.00 0.97 0.00 0.00 88 F 8.34 4.20 0.00 3.24 3.23 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 89 I 8.23 3.71 2.12 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 1.70 1.01 0.89 0.00 0.00 90 D 7.89 4.31 0.00 2.67 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 91 E 8.19 3.86 0.00 2.10 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 0.00 2.33 2.26 0.00 92 F 8.03 4.12 0.00 2.49 2.76 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 93 G 7.89 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 0.00 0.00 0.00 94 I 7.68 3.73 1.62 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.52 -0.13 0.00 0.00 95 K 8.16 4.45 0.00 1.80 1.90 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.53 7.81 96 F 7.23 4.47 0.00 3.09 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 97 P 0.00 4.80 0.00 2.43 2.12 0.00 3.94 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.79 0.00 98 V 9.61 5.16 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 1.16 0.00 0.00 1.18 0.00 0.00 99 A 8.93 4.84 -0.06 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 0.00 0.00 100 V 7.98 4.27 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 0.89 0.00 0.00 0.88 0.00 0.00 101 D 8.46 4.93 0.00 2.73 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 *103 P 0.00 4.23 0.00 2.22 2.06 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 104 R 8.03 4.57 0.00 1.82 1.79 0.00 3.08 0.00 0.00 3.67 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 105 E 8.66 4.20 0.00 1.99 1.76 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 2.23 1.88 0.00 106 G 9.01 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 0.00 107 Q 7.62 4.62 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 108 R 8.68 4.04 0.00 1.91 2.22 0.00 3.18 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 109 I 7.53 4.21 1.84 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 1.45 0.70 0.84 0.00 0.00 110 P 0.00 4.56 0.00 2.43 2.04 0.00 3.80 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 2.12 1.94 0.00 111 S 8.58 4.15 0.00 3.83 3.84 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 0.00 112 T 8.38 3.69 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 1.36 0.00 0.00 *114 K 8.22 4.10 0.00 1.91 1.75 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.33 7.81 115 K 7.86 3.71 0.00 1.67 1.06 0.00 0.95 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.16 1.19 7.81 116 Y 7.49 4.69 0.00 3.06 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 0.00 117 R 7.55 3.75 0.00 1.92 1.93 0.00 3.14 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 118 L 7.70 4.15 0.00 1.58 1.61 0.97 1.06 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 0.00 119 E 8.66 3.80 0.00 1.16 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 2.08 2.10 0.00 120 G 6.53 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 0.00 121 T 8.31 5.11 4.39 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 1.40 0.00 0.00 122 P 0.00 4.94 0.00 2.20 2.26 0.00 3.05 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 1.99 2.10 0.00 123 S 8.93 5.38 0.00 3.88 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 0.00 124 I 8.71 5.05 1.86 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 1.14 0.96 0.00 0.00 125 I 8.61 5.01 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.75 0.00 0.00 126 L 8.89 5.21 0.00 1.52 1.52 0.89 0.95 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 0.00 127 A 8.68 5.24 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 0.00 128 D 8.60 5.04 0.00 2.78 2.82 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 0.00 129 R 8.73 4.26 0.00 1.89 2.02 0.00 3.38 0.00 0.00 3.48 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 130 K 8.39 4.41 0.00 1.70 1.76 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.25 7.81 131 G 8.46 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 0.00 132 R 7.41 4.92 0.00 1.99 2.02 0.00 2.76 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 133 I 8.56 4.36 1.83 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.40 0.76 0.00 0.00 134 R 8.75 4.52 0.00 1.63 1.93 0.00 3.26 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 135 Q 7.78 4.59 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 136 V 8.40 4.75 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 0.79 0.00 0.00 0.86 0.00 0.00 137 Q 8.95 4.69 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 138 F 9.08 4.99 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.51 3.25 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 0.00 140 Q 8.14 3.87 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.65 0.00 0.00 0.00 0.00 0.00 2.14 1.76 0.00 141 V 8.05 4.32 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 0.85 0.00 0.00 0.92 0.00 0.00 142 D 8.48 4.56 0.00 2.87 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 0.00 143 D 8.80 4.38 0.00 2.80 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 0.00 144 F 8.33 4.27 0.00 3.07 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 0.00 145 V 7.86 3.34 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 0.90 0.00 0.00 1.02 0.00 0.00 146 L 8.31 4.02 0.00 1.77 1.77 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.13 3.58 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 0.00 0.00 0.00 148 L 7.53 3.85 0.00 1.67 1.56 0.48 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.77 3.94 0.00 1.81 1.67 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.02 4.05 0.00 1.78 1.69 0.89 0.65 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 0.00 151 G 8.23 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 0.00 0.00 0.00 152 S 8.11 4.11 0.00 4.07 3.84 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 0.00 153 L 7.48 4.01 0.00 1.75 1.70 0.89 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.96 4.13 0.00 1.82 1.72 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.48 4.62 0.00 4.02 3.95 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 0.00 156 E 7.23 4.17 0.00 2.11 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 2.55 2.37 0.00 157 T 8.26 4.17 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 * Residues marked with a * may have inaccurate shift predictions.