NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2861 8.4401 120.2243 56.2696 29.8233 174.2928 4 A 4.5201 7.7238 124.0362 48.5713 22.7046 174.4065 5 L 3.9971 9.2359 122.4567 55.3245 43.6255 175.9187 6 S 4.4598 8.7096 120.9609 58.5782 63.3782 175.3996 7 D 4.5031 8.7295 122.5534 56.5958 40.6182 178.3173 8 S 4.3971 8.0288 112.2527 58.2966 63.6550 175.1411 9 G 3.9298 8.4361 110.2573 45.3990 0.0000 173.6423 10 L 4.4713 7.3456 119.9281 52.5835 43.0097 174.6631 11 P 4.5312 0.0000 0.0000 62.0700 31.7781 174.5822 12 P 4.5328 0.0000 0.0000 62.9829 32.7538 175.2486 13 V 4.3139 8.5727 120.5447 61.0415 33.3820 174.3990 14 Q 4.6788 8.7157 129.8051 55.9245 30.0322 174.6968 15 R 4.6502 9.2215 127.0669 54.4409 33.0190 174.0938 16 V 4.8818 8.5054 125.7693 61.0849 34.0496 174.4222 17 V 4.3672 9.0594 128.4957 61.2577 33.9505 174.8800 18 T 4.6819 8.1192 117.6919 60.8614 71.4044 173.4749 19 G 4.0353 7.9961 107.2858 46.4857 0.0000 171.5727 20 H 5.6096 8.8719 116.3028 54.0942 31.8175 174.3939 21 D 4.8974 8.7579 121.9232 52.0622 41.9980 176.6579 22 A 4.1019 8.7293 119.9316 54.5401 18.4188 177.8193 23 H 4.6148 8.6260 112.1537 55.0074 29.1685 175.6521 24 G 3.9128 8.2100 107.4269 46.0018 0.0000 173.8525 25 R 4.4885 7.8930 118.0254 54.7962 32.0716 175.5142 26 A 4.4580 8.4311 124.8715 51.9055 19.1606 177.0676 27 V 4.3760 8.6041 115.3958 59.3971 36.9024 174.7359 28 F 4.5578 8.5513 120.6267 57.5267 38.9089 175.7428 29 K 4.4351 9.4345 126.1251 58.5216 33.0723 176.5950 30 S 4.7815 7.7554 111.4868 57.6600 66.0231 173.3953 31 E 5.3852 8.6170 121.3267 55.0674 32.6284 173.7188 32 D 4.8059 9.0354 124.4244 52.1787 43.5304 174.1858 33 V 4.8696 8.3217 119.3645 61.6150 33.9720 174.7783 34 T 4.8185 8.7915 124.5025 60.9597 72.4299 172.0950 35 P 4.7873 0.0000 0.0000 62.5955 32.6892 176.1936 36 T 4.1361 8.4241 111.7009 61.7645 70.1127 173.1155 37 R 5.3827 8.8623 123.7639 54.9683 34.3788 175.1823 *39 I 4.2328 8.2618 117.9656 60.8897 38.7712 174.9164 40 P 4.3027 0.0000 0.0000 65.7619 31.2326 178.4017 41 S 4.0980 8.0000 111.5886 59.4022 63.0859 175.3534 42 G 3.9560 8.1313 107.9846 45.8782 0.0000 174.0394 43 D 4.5166 7.9778 119.8626 56.2878 41.2496 176.3468 44 A 4.9938 7.6011 117.9461 50.5626 22.6337 175.3894 45 S 5.0956 9.2919 115.0274 56.4593 65.2520 173.0726 46 F 5.6044 9.6593 121.4578 55.1764 42.0944 173.6315 47 L 4.3316 9.1445 121.3531 53.1474 45.2264 174.9199 48 L 4.3585 8.4016 129.1737 55.6200 42.2429 175.8359 49 V 4.3304 8.7089 125.9994 64.1450 33.2010 175.2571 50 W 5.0101 7.8506 127.6525 56.8356 33.9753 172.8008 51 T 5.3332 7.1098 112.2802 60.3437 71.8291 173.0683 52 T 4.7449 8.8255 112.8922 59.8564 71.2530 175.1536 53 A 4.0717 8.8749 127.1228 54.6252 18.5951 177.5178 54 T 4.7896 7.6229 104.0460 59.9041 72.0834 172.9723 55 V 4.7311 8.0508 114.7359 58.6993 34.4834 174.3497 56 P 4.3047 0.0000 0.0000 62.7314 31.8035 176.2588 57 A 4.5538 8.1065 122.6387 50.7386 20.6163 176.4660 58 D 4.5558 8.2702 116.2505 53.2209 42.4406 175.1554 59 N 4.7468 8.8254 122.9247 53.8595 38.5867 175.7516 60 N 4.6433 8.8065 115.4811 53.0319 39.1135 174.4575 61 D 4.6435 7.7565 119.2048 53.2331 40.8001 175.7043 62 E 4.4656 8.6499 125.6671 56.6121 30.0958 177.2171 63 T 3.8108 7.9958 116.8384 63.5814 69.0614 173.3846 64 D 4.1658 8.6530 125.5117 53.8730 40.0412 177.1971 65 G 2.2717 5.4780 116.0142 47.4126 0.0000 174.5036 66 R 3.9027 8.1200 119.1911 57.6723 30.2954 176.5530 67 Q 4.5588 7.7048 116.0642 55.6574 29.7505 174.9625 68 R 4.0844 7.9564 120.7624 55.7289 30.8798 176.5913 69 E 4.0015 8.6756 120.8045 55.7290 30.2607 174.1487 70 A 4.0846 8.5079 125.0585 52.1475 19.1020 178.2798 71 G 3.9790 8.2596 111.9613 44.6408 0.0000 171.8064 72 L 4.0881 7.6823 117.8146 55.4514 42.5132 176.0489 73 T 3.7425 7.7863 120.4884 63.5369 68.7351 173.3308 74 L 3.9848 8.5365 128.0997 56.8848 42.2225 176.3553 75 D 4.4663 9.0905 123.5280 54.9320 38.4748 174.1606 76 G 3.7553 8.1079 108.4212 46.6415 0.0000 176.2465 77 G 3.7486 9.2177 109.1726 46.1387 0.0000 172.9865 78 S 5.3554 8.4571 115.7914 56.6598 67.2567 173.8574 79 V 4.8880 8.6971 119.9321 61.3350 35.1347 173.6339 80 I 5.3151 9.3004 128.2659 59.2802 40.6467 174.2800 81 R 5.2058 9.2405 124.8993 54.6337 33.8008 173.8125 82 V 4.7824 9.1276 120.4314 61.2914 33.7867 174.4764 83 V 4.7730 8.8858 127.9429 61.5051 34.2847 174.6022 84 D 5.6855 9.1699 128.2029 51.9264 44.3522 175.3365 *86 L 4.3463 8.1766 117.6914 53.8476 42.7231 174.9006 87 P 4.4043 0.0000 0.0000 64.2620 31.5668 176.7174 88 G 3.9167 8.7598 109.3088 45.8081 0.0000 173.0517 89 K 4.9096 7.7559 118.4684 54.4188 35.4041 174.9519 90 E 5.3594 8.4575 118.7437 54.8649 32.8216 174.9431 91 S 4.6565 8.9386 116.2115 55.9678 64.5801 175.5198 92 P 4.6100 0.0000 0.0000 62.1858 30.5939 177.0062 *94 H 4.6094 8.5424 123.0748 56.5204 30.1469 171.5034 95 R 4.9703 8.3769 118.2186 54.6550 32.6404 174.2778 96 T 4.6303 8.2882 114.0083 59.8095 72.3106 174.0205 97 N 4.8848 8.3768 121.1710 50.9070 37.0094 173.9229 98 S 4.7714 7.5975 113.4557 57.5381 66.2982 175.2740 99 I 4.6199 8.5077 121.9544 59.4602 40.0946 173.9167 100 D 5.3799 8.7419 128.2357 52.7142 44.4860 174.3304 101 Y 5.3518 8.8548 121.1288 56.5933 40.1293 174.7931 102 G 4.3336 9.4916 112.6007 44.3081 0.0000 171.8459 103 I 4.9468 8.4588 125.2701 59.1386 40.5482 174.9595 104 V 3.8019 8.7465 128.6319 62.7038 31.5125 176.3231 105 L 4.2402 8.9648 129.5516 56.8294 42.8046 177.4276 106 E 4.5686 7.9640 118.5757 56.1953 33.1434 176.5709 107 G 4.2184 9.3269 115.9986 44.6152 0.0000 171.8608 108 E 4.9809 8.2903 114.9760 54.8618 33.2269 174.5889 109 I 4.7597 8.5183 119.6599 59.3745 42.2227 173.3248 110 E 4.9451 9.3950 130.0543 54.9485 31.2570 174.2159 111 L 4.6658 9.0693 130.5340 53.6305 43.8990 174.4459 112 E 5.0429 8.6988 127.5730 54.1268 31.7304 174.2557 113 L 5.2454 8.5602 127.3357 54.0189 42.1453 176.4534 114 D 4.5069 8.4351 124.6314 55.9962 41.5987 175.4705 115 D 4.4314 9.5621 118.6804 55.5487 38.3329 175.2509 116 G 3.8562 8.4643 105.4002 45.0294 0.0000 174.3023 117 A 4.2558 7.8602 123.3891 51.9639 19.1416 177.0152 118 K 4.9934 8.4269 120.2342 56.3969 35.7087 174.9910 119 R 4.7108 8.7870 118.7824 55.6652 35.3194 173.9325 120 T 4.9540 8.4213 117.4758 62.4975 70.2834 174.5124 121 V 4.3392 9.0207 126.6507 61.2857 33.4981 175.6379 122 R 4.5898 8.5114 127.0121 54.9860 32.0341 175.8126 123 Q 4.0396 8.5121 121.4545 58.0466 29.1990 177.0231 124 G 3.9458 9.1499 113.7870 45.2060 0.0000 173.9128 125 G 3.9216 8.0321 107.5570 46.1045 0.0000 172.8885 126 I 5.2311 8.2214 121.4603 59.2968 40.4115 174.8665 127 I 4.5053 9.0952 127.6625 59.6967 39.5957 174.9245 128 V 4.7726 8.6016 127.2099 61.6100 32.4454 174.7834 129 Q 4.3289 9.2171 131.5944 54.1675 29.7040 176.6215 130 R 4.5530 8.1397 131.5778 55.4068 29.4395 176.8939 131 G 3.8637 7.8347 99.6230 46.6296 0.0000 172.5487 132 T 4.2886 7.6307 109.0402 59.7701 70.2169 173.9395 133 N 4.5175 8.5764 123.2273 54.8967 39.7544 173.0291 134 H 4.9662 8.3545 120.2932 54.7352 32.0324 172.4897 135 L 4.7359 8.7416 118.9042 53.8681 44.4733 174.9431 136 W 5.3457 9.2124 119.9779 55.0467 31.8706 175.0629 137 R 4.9907 9.3040 124.5860 54.6202 33.1034 173.3407 138 N 5.1214 9.3648 126.4175 52.6858 39.7322 174.5625 139 T 4.5233 8.5796 115.9284 61.7826 69.9020 174.4265 140 T 4.4510 8.1828 113.4485 60.9323 71.0641 174.2768 141 D 4.8149 8.5766 118.6422 54.0932 41.1547 176.4546 142 K 4.9018 7.6464 118.0678 53.4494 35.7589 174.5399 143 P 4.5014 0.0000 0.0000 63.1763 32.6129 174.9272 144 C 4.9699 8.5752 120.8038 57.7053 34.5906 172.1527 145 R 5.0598 8.7845 127.0600 54.9107 31.7006 174.8175 146 I 4.7473 8.6136 126.6077 59.2638 41.1061 174.1349 147 A 4.7397 8.4957 128.8991 50.8027 20.5398 175.8778 148 F 5.3728 9.3100 121.9564 55.6914 42.3126 174.5081 149 I 5.0269 9.0983 124.6830 59.6442 39.8169 174.4047 150 L 5.1783 9.1871 127.9828 52.9181 44.3851 175.6165 151 I 4.9137 8.5403 124.7883 59.2804 40.2509 174.3662 152 E 4.3410 8.6510 127.1402 55.9890 29.8359 176.2233 153 A 4.7907 8.5344 127.1537 49.6732 22.6202 174.1744 154 P 4.3074 0.0000 0.0000 61.9601 32.1302 176.3981 155 A 4.4011 8.3524 121.8607 51.8992 18.4802 177.1529 156 Y 4.0638 8.6039 122.5880 57.4475 39.5288 174.6762 157 L 4.6299 7.3555 126.8518 53.2718 42.8739 175.1976 158 H 4.7011 9.2298 124.8621 55.3086 31.0583 174.2845 159 N 4.1555 9.6167 125.7772 54.4311 36.0186 175.1876 160 G 3.8918 8.2638 102.1553 45.8599 0.0000 173.6032 161 Q 4.6230 7.7546 117.7672 52.7406 32.5246 173.3352 162 P 4.8694 0.0000 0.0000 62.0911 31.9946 176.5461 163 L 4.3434 8.2304 120.4375 53.4844 42.4621 175.3703 164 P 4.2275 0.0000 0.0000 64.0224 31.8588 177.0527 165 E 4.3031 8.6404 116.5382 56.0305 30.3836 174.4049 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 3 E 8.44 4.29 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.55 0.00 4 A 7.72 4.52 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 5 L 9.24 4.00 0.00 1.59 1.60 0.91 0.93 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 6 S 8.71 4.46 0.00 4.03 3.77 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 7 D 8.73 4.50 0.00 2.74 2.73 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 8 S 8.03 4.40 0.00 3.98 3.99 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 9 G 8.44 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 10 L 7.35 4.47 0.00 1.66 1.57 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.53 0.00 2.02 1.98 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 12 P 0.00 4.53 0.00 2.06 2.19 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 13 V 8.57 4.31 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 0.92 0.00 0.00 0.92 0.00 0.00 14 Q 8.72 4.68 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.45 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 15 R 9.22 4.65 0.00 1.89 1.93 0.00 3.43 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 16 V 8.51 4.88 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 1.02 0.00 0.00 0.90 0.00 0.00 17 V 9.06 4.37 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 0.59 0.00 0.00 0.89 0.00 0.00 18 T 8.12 4.68 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 1.05 0.00 0.00 19 G 8.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.87 5.61 0.00 2.98 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.76 4.90 0.00 2.81 2.85 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 22 A 8.73 4.10 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.63 4.61 0.00 3.30 3.34 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.21 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 0.00 0.00 0.00 25 R 7.89 4.49 0.00 2.02 1.84 0.00 3.30 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 26 A 8.43 4.46 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 27 V 8.60 4.38 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 0.80 0.00 0.00 0.93 0.00 0.00 28 F 8.55 4.56 0.00 2.97 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 29 K 9.43 4.44 0.00 1.72 2.02 0.00 1.91 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.43 7.81 30 S 7.76 4.78 0.00 3.95 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 0.00 31 E 8.62 5.39 0.00 1.91 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 2.15 2.39 0.00 32 D 9.04 4.81 0.00 2.73 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 33 V 8.32 4.87 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 0.83 0.00 0.00 0.91 0.00 0.00 34 T 8.79 4.82 4.22 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 1.17 0.00 0.00 35 P 0.00 4.79 0.00 2.05 2.24 0.00 3.73 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 1.95 1.94 0.00 36 T 8.42 4.14 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 1.20 0.00 0.00 37 R 8.86 5.38 0.00 1.62 1.69 0.00 3.30 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 *39 I 8.26 4.23 1.83 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 1.66 0.71 0.84 0.00 0.00 40 P 0.00 4.30 0.00 2.06 2.18 0.00 3.67 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 2.04 2.11 0.00 41 S 8.00 4.10 0.00 4.07 3.99 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 42 G 8.13 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 0.00 0.00 0.00 43 D 7.98 4.52 0.00 2.74 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 44 A 7.60 4.99 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 45 S 9.29 5.10 0.00 3.91 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 46 F 9.66 5.60 0.00 3.20 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 47 L 9.14 4.33 0.00 1.53 1.44 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.40 4.36 0.00 1.80 1.56 1.06 0.97 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 49 V 8.71 4.33 2.34 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 0.91 0.00 0.00 0.98 0.00 0.00 50 W 7.85 5.01 0.00 3.46 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 51 T 7.11 5.33 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 1.19 0.00 0.00 52 T 8.83 4.74 4.34 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 1.47 0.00 0.00 53 A 8.87 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.62 4.79 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 1.22 0.00 0.00 55 V 8.05 4.73 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 0.85 0.00 0.00 0.95 0.00 0.00 56 P 0.00 4.30 0.00 2.06 2.02 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 57 A 8.11 4.55 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 58 D 8.27 4.56 0.00 2.65 2.55 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 59 N 8.83 4.75 0.00 2.78 2.87 0.00 0.00 7.10 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.81 4.64 0.00 2.83 2.86 0.00 0.00 6.79 7.91 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 61 D 7.76 4.64 0.00 2.84 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 62 E 8.65 4.47 0.00 2.04 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 2.47 2.30 0.00 63 T 8.00 3.81 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 64 D 8.65 4.17 0.00 2.68 2.47 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 74 L 8.54 3.98 0.00 1.58 1.61 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.09 4.47 0.00 2.87 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 76 G 8.11 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 77 G 9.22 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 0.00 0.00 0.00 78 S 8.46 5.36 0.00 4.02 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 0.00 79 V 8.70 4.89 2.13 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 0.96 0.00 0.00 0.96 0.00 0.00 80 I 9.30 5.32 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.83 1.17 0.00 0.00 81 R 9.24 5.21 0.00 2.21 2.10 0.00 2.98 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 82 V 9.13 4.78 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 0.71 0.00 0.00 0.94 0.00 0.00 83 V 8.89 4.77 2.33 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 1.11 0.00 0.00 1.13 0.00 0.00 84 D 9.17 5.69 0.00 2.72 2.60 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 *86 L 8.18 4.35 0.00 1.97 1.65 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.40 0.00 2.19 2.10 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 88 G 8.76 3.92 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 0.00 0.00 0.00 89 K 7.76 4.91 0.00 1.83 1.73 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.63 7.81 90 E 8.46 5.36 0.00 2.02 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 2.18 2.31 0.00 91 S 8.94 4.66 0.00 3.95 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 92 P 0.00 4.61 0.00 1.97 1.57 0.00 3.66 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 1.95 2.03 0.00 *94 H 8.54 4.61 0.00 3.18 3.38 0.00 5.39 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.38 4.97 0.00 1.73 1.75 0.00 3.18 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 96 T 8.29 4.63 4.40 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 0.00 0.00 0.00 1.15 0.00 0.00 97 N 8.38 4.88 0.00 2.67 3.07 0.00 0.00 6.41 7.88 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 98 S 7.60 4.77 0.00 3.87 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 99 I 8.51 4.62 1.84 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 1.08 1.39 0.79 0.00 0.00 100 D 8.74 5.38 0.00 2.73 2.66 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 0.00 101 Y 8.85 5.35 0.00 2.97 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 0.00 102 G 9.49 4.33 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 0.00 103 I 8.46 4.95 1.77 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.63 0.85 0.00 0.00 104 V 8.75 3.80 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 0.98 0.00 0.00 0.91 0.00 0.00 105 L 8.96 4.24 0.00 1.45 1.65 0.87 0.78 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 0.00 106 E 7.96 4.57 0.00 2.01 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 2.26 2.36 0.00 107 G 9.33 4.22 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 0.00 108 E 8.29 4.98 0.00 2.09 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 2.18 2.32 0.00 109 I 8.52 4.76 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.10 1.15 0.00 0.00 110 E 9.39 4.95 0.00 2.12 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 2.26 2.27 0.00 111 L 9.07 4.67 0.00 1.78 1.65 -0.12 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.70 5.04 0.00 2.01 1.66 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 2.12 2.38 0.00 113 L 8.56 5.25 0.00 1.52 1.32 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.44 4.51 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.56 4.43 0.00 2.78 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 0.00 116 G 8.46 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 0.00 117 A 7.86 4.26 1.26 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 0.00 0.00 118 K 8.43 4.99 0.00 1.83 1.71 0.00 1.58 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.47 7.81 119 R 8.79 4.71 0.00 1.77 1.83 0.00 3.12 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 120 T 8.42 4.95 4.27 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 1.33 0.00 0.00 121 V 9.02 4.34 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 1.03 0.00 0.00 1.10 0.00 0.00 122 R 8.51 4.59 0.00 1.82 1.85 0.00 3.20 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 123 Q 8.51 4.04 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 124 G 9.15 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 0.00 0.00 0.00 125 G 8.03 3.92 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 0.00 0.00 0.00 126 I 8.22 5.23 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.97 0.00 0.00 127 I 9.10 4.51 2.22 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.79 1.15 0.00 0.00 128 V 8.60 4.77 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 0.96 0.00 0.00 1.04 0.00 0.00 129 Q 9.22 4.33 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 130 R 8.14 4.55 0.00 1.82 1.90 0.00 3.40 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 131 G 7.83 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.63 4.29 4.14 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 1.06 0.00 0.00 133 N 8.58 4.52 0.00 2.80 2.79 0.00 0.00 6.72 7.89 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 0.00 134 H 8.35 4.97 0.00 2.81 3.07 0.00 5.56 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.74 4.74 0.00 1.79 1.64 0.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 136 W 9.21 5.35 0.00 3.35 3.24 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 0.00 137 R 9.30 4.99 0.00 1.87 1.78 0.00 3.34 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 138 N 9.36 5.12 0.00 2.86 2.91 0.00 0.00 6.44 7.99 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 0.00 139 T 8.58 4.52 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 1.24 0.00 0.00 140 T 8.18 4.45 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 1.23 0.00 0.00 141 D 8.58 4.81 0.00 2.69 2.73 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 0.00 142 K 7.65 4.90 0.00 1.63 1.66 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.35 7.81 143 P 0.00 4.50 0.00 2.08 2.07 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.14 0.00 144 C 8.58 4.97 0.00 3.09 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.78 5.06 0.00 1.94 1.72 0.00 3.05 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 146 I 8.61 4.75 1.07 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.42 -0.40 0.00 0.00 147 A 8.50 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 9.31 5.37 0.00 2.94 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 0.00 149 I 9.10 5.03 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 1.00 0.00 0.00 150 L 9.19 5.18 0.00 1.58 1.54 0.98 0.63 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 0.00 151 I 8.54 4.91 1.74 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 1.11 0.73 0.90 0.00 0.00 152 E 8.65 4.34 0.00 2.28 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 2.34 2.33 0.00 153 A 8.53 4.79 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 0.00 154 P 0.00 4.31 0.00 2.05 2.01 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 155 A 8.35 4.40 1.26 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 0.00 0.00 156 Y 8.60 4.06 0.00 3.09 2.90 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 0.00 157 L 7.36 4.63 0.00 1.34 1.38 0.84 0.93 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 0.00 158 H 9.23 4.70 0.00 3.36 3.24 0.00 5.93 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 N 9.62 4.16 0.00 2.72 2.75 0.00 0.00 7.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.26 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 7.75 4.62 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 162 P 0.00 4.87 0.00 2.04 2.00 0.00 3.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 163 L 8.23 4.34 0.00 1.69 1.63 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.23 0.00 2.03 2.01 0.00 3.65 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 2.04 2.12 0.00 165 E 8.64 4.30 0.00 1.95 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 2.12 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.