NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5642 8.3149 120.0856 56.3940 33.5228 174.6735 6 I 4.4421 8.8994 126.2912 58.5431 40.9790 169.2390 7 V 4.7660 9.0938 126.2691 61.4805 34.1977 173.8938 8 L 5.0977 8.6589 127.6730 53.0387 44.1978 175.6271 9 K 4.6289 8.7592 124.6582 54.8039 32.9779 176.5441 10 S 4.6009 8.7394 120.8418 57.4075 64.1849 173.6807 11 S 4.4873 8.6445 114.5576 58.2217 63.0238 175.2435 12 D 4.2543 8.4339 117.9227 53.5745 39.5418 175.5977 13 G 3.9162 8.4497 107.6034 47.2792 0.0000 172.0785 14 E 4.5411 7.7581 120.4449 55.3381 32.8015 174.3086 15 S 4.7486 8.6078 120.6057 58.5376 64.3238 174.0305 16 F 4.6003 8.8520 120.9526 55.5519 42.2625 173.8833 17 E 4.4176 8.9428 126.0384 55.9586 29.9662 176.0806 18 V 4.6854 8.5879 119.8763 59.3358 36.5093 175.6408 19 E 4.3354 8.7029 122.3562 55.7941 29.3277 176.2282 20 E 3.8227 8.2179 118.3516 60.5422 29.0785 178.1099 21 A 4.1916 7.7133 123.8687 53.8233 19.1944 179.3381 22 V 3.6692 7.4403 116.1357 65.8369 32.0077 177.8940 23 A 4.1498 7.8161 119.2598 54.2194 17.9714 178.7508 24 L 4.2648 7.7257 115.5543 55.9729 42.3366 177.8490 25 E 3.9317 7.8383 117.8980 58.9037 29.6575 177.5411 26 S 4.4188 7.6540 112.9382 57.2312 62.9000 174.6182 27 Q 4.0524 8.6129 129.4089 58.6833 28.2753 178.7269 28 T 3.9704 7.7274 116.2534 66.3102 69.0654 176.1861 29 I 3.9521 7.5894 120.5972 63.1790 37.2557 178.3207 30 A 4.0570 8.0393 122.3034 55.3688 18.1717 178.9209 31 H 4.4008 7.9936 110.2753 57.0452 28.3243 175.5961 32 M 4.8003 7.5588 119.3559 55.3491 32.3662 176.7098 33 V 4.3917 7.6860 108.0325 60.9138 32.0410 176.8403 34 E 4.1757 7.5299 120.3228 58.9118 29.9031 177.3911 35 D 4.5516 8.3675 118.4811 56.4970 39.5565 178.1384 36 D 4.5149 6.8936 118.8539 57.4425 37.0809 175.3575 37 C 4.3568 8.3232 122.1253 60.7022 28.8660 175.8587 38 V 3.6855 7.8024 120.3626 65.3580 31.2829 177.1712 39 D 4.3954 8.2607 118.5543 57.2761 40.6350 177.1954 40 N 4.8503 8.1564 113.3773 52.4486 39.1483 173.5080 41 G 4.0956 8.1459 108.6828 45.0641 0.0000 174.5322 42 V 3.7894 8.3086 115.5451 60.5304 32.5067 174.1144 43 P 4.8563 0.0000 0.0000 62.1801 31.0880 175.6565 44 L 4.8864 8.8154 127.4743 51.9689 41.0737 174.4116 45 P 5.4175 0.0000 0.0000 63.7082 31.8687 177.0132 46 N 4.6415 8.3255 115.1139 53.4897 40.3655 174.4890 47 V 4.2337 7.3150 119.3733 60.9459 32.8521 175.0828 48 T 4.2904 8.3430 122.5714 61.8672 69.1466 174.4931 49 S 4.3095 8.7297 121.1433 60.6623 62.0783 176.3216 50 K 4.0028 8.1255 122.0943 59.5046 31.8463 178.7653 51 I 3.7652 7.6559 119.4771 64.3700 37.2104 177.6658 52 L 3.7830 8.2330 121.3701 58.1710 41.6599 178.8482 53 A 4.0115 7.8616 120.3801 55.3726 18.5060 179.8340 54 K 4.1755 7.8248 115.7826 59.5206 32.0910 179.8566 55 V 3.7488 8.1310 118.9221 66.1799 31.4566 178.1929 56 I 3.7539 8.0370 119.7920 64.2208 37.0014 177.8211 57 E 3.9530 8.4649 120.2903 59.5619 29.5347 178.3900 58 Y 3.9388 7.9046 118.7251 60.9150 38.9218 177.7446 59 C 4.0273 8.3628 117.6109 62.5558 28.0216 175.6049 60 K 3.7164 8.3433 120.4738 59.9694 31.5260 178.1990 61 R 3.6317 7.5273 117.9205 59.5317 29.6317 178.1995 62 H 4.0018 7.5571 115.0367 58.4953 28.9544 177.6057 63 V 3.7165 7.7285 120.1467 65.5113 31.0957 176.7064 64 E 3.9940 7.5509 116.2399 56.8408 29.0565 176.7331 65 A 4.5909 7.5578 119.0861 52.0836 18.9782 179.5604 66 A 3.8784 7.6746 121.8443 56.2396 18.7954 178.6315 67 A 3.9596 7.6957 121.9745 52.3734 18.5031 177.6022 68 S 4.4086 8.2783 118.7410 59.0079 64.0688 174.3823 *80 D 4.6740 8.5143 122.2798 54.5305 41.5560 177.6177 81 D 4.3512 8.0552 118.0119 57.3732 41.5615 177.4278 82 D 4.6443 7.9991 117.1300 55.9587 41.6773 178.4773 83 L 4.0143 7.8780 119.9092 57.8322 41.7277 179.3273 84 K 3.9996 8.2164 117.3584 58.9699 31.8636 179.1718 85 A 3.9802 7.4529 119.1379 54.9146 18.4950 179.3564 86 W 4.1538 8.2224 126.7381 60.6575 30.6659 177.6281 87 D 4.4973 9.1494 119.0278 57.7146 40.1796 178.7206 88 A 4.0220 7.8092 119.6195 55.3726 18.2081 178.8138 89 D 4.3481 8.0352 116.2346 56.9246 41.0786 178.2215 90 F 4.0425 8.0389 120.9827 60.6773 39.3798 176.0691 91 M 4.0446 7.4108 115.6854 54.9836 33.3842 177.0842 92 K 4.2520 7.3220 120.1751 56.3098 30.2177 174.5129 93 I 4.4814 6.8415 112.2104 58.3696 41.2930 175.5836 94 D 4.6061 7.9641 119.6687 52.3509 41.8684 176.7160 95 Q 3.3085 8.3182 118.5819 59.3096 28.5409 179.2575 96 A 3.8657 7.7762 120.7474 55.5637 18.2125 179.4903 97 T 3.9148 7.3934 113.4434 65.9328 68.8888 176.6813 98 L 3.7787 7.6145 122.4305 58.3384 42.0815 179.1861 99 F 4.5620 7.9445 117.8274 60.8145 38.9852 177.6060 100 E 4.0771 8.1380 118.2318 59.1531 29.1675 179.4812 101 L 4.0351 7.8884 119.4389 57.6470 41.6352 179.2818 102 I 4.0872 7.6608 121.0128 64.0329 37.1286 178.1450 103 L 3.9486 8.1099 119.3708 58.1687 41.4332 179.7874 104 A 4.1353 7.9592 119.7336 55.1286 18.4626 179.5920 105 A 3.9526 8.6609 119.6899 55.1463 18.1591 179.4661 106 N 4.2804 8.2118 115.1544 56.8023 38.8361 176.2102 107 Y 4.4877 8.1975 120.9733 62.1783 39.2051 175.6379 108 L 4.6033 8.0968 125.6070 54.6165 41.8709 178.8547 109 N 4.9739 8.3288 114.6035 53.8226 39.5271 176.0507 110 I 4.2767 7.9132 121.6234 59.4312 37.4520 176.9592 111 K 3.8973 8.5323 127.0794 59.4854 31.8306 177.8141 112 N 4.3488 8.2650 116.2477 56.2031 38.3490 176.8497 113 L 3.5793 7.7991 120.8673 57.6135 42.4812 178.3274 114 L 3.9308 8.5133 120.6775 58.2624 41.8952 178.3054 115 D 4.5653 8.2811 116.6199 55.7718 41.0123 177.1584 116 L 4.4936 7.2773 120.9586 56.6767 43.2203 178.3072 117 T 3.8225 8.7111 110.8737 65.1315 68.8786 176.3947 118 C 4.0852 8.0494 120.2864 62.4974 28.1840 176.0841 119 Q 3.9890 8.0457 120.4269 59.3659 28.4615 178.1989 120 T 3.9432 7.6163 116.3402 66.4274 68.7489 176.6366 121 V 3.9187 8.1462 120.1451 65.9958 31.6473 177.9643 122 A 4.0825 8.3272 120.6926 55.3035 17.9755 179.2885 123 D 4.4392 8.1370 116.3224 57.3314 40.8752 178.4378 124 M 4.2657 7.8046 119.0136 58.0231 32.2805 178.4880 125 I 4.1056 7.6972 119.6261 63.0665 37.4126 176.4405 126 K 4.0306 7.4515 118.7098 58.4654 32.1859 176.4736 127 G 4.0816 9.0230 112.4335 45.3957 0.0000 173.8575 128 K 4.3775 7.6620 118.1230 56.3042 32.7609 177.1666 129 T 4.4424 8.0869 112.3134 60.2020 71.5090 174.1694 130 P 4.2536 0.0000 0.0000 65.5216 31.1333 178.6875 131 E 3.9161 8.0937 117.7088 59.4811 29.7257 178.2725 132 E 3.9896 7.9799 118.2889 59.6118 29.2764 179.6063 133 I 3.8446 7.9047 119.2541 64.5572 37.5418 178.4627 134 R 4.2575 7.9347 116.1672 59.1134 29.4747 178.2105 135 T 3.9539 8.3739 117.9755 66.8868 68.1493 175.8313 136 T 4.3424 8.0635 110.0199 61.8901 69.5074 175.4470 137 F 4.7219 8.2236 115.8604 57.4875 43.7361 173.8860 138 N 4.1970 8.1266 117.8576 54.3249 36.4242 172.1797 139 I 4.5348 8.3897 119.0818 58.7075 40.4646 175.7334 140 K 4.1192 8.5461 124.7689 55.6764 33.1529 176.1469 141 N 4.3219 8.7390 122.8975 54.2089 37.6905 172.9552 142 D 4.7792 8.0933 123.9544 52.8545 39.9204 176.6227 143 F 4.7137 8.3922 119.4522 57.5528 39.7685 176.4876 144 T 4.1468 8.8244 116.1499 61.2415 70.7779 174.0857 145 P 4.3381 0.0000 0.0000 65.3923 31.2714 179.0154 146 E 3.9696 8.0964 117.5942 59.1905 29.3943 178.8068 147 E 3.8830 7.9291 118.6825 59.4550 29.5292 178.8669 148 E 3.1882 7.9644 119.2035 59.0966 29.5312 178.6016 149 E 3.7147 7.8792 118.7179 59.0486 29.6801 178.2113 150 E 3.7637 8.2350 119.6935 59.3577 29.6340 179.0046 151 V 3.4823 7.7472 118.3248 65.8118 31.6120 177.9043 152 R 3.6803 7.9726 118.6984 59.4384 29.8709 178.6168 153 R 2.8487 7.8530 118.1170 58.8730 29.8566 178.7705 154 E 3.7245 8.2208 118.5702 59.6806 29.3236 179.3662 155 N 4.3652 8.0968 114.8243 55.6624 38.5990 176.5366 156 Q 4.4679 7.4826 117.0131 56.2092 30.2914 177.1085 157 W 4.8211 8.2956 118.6669 57.1336 29.8597 175.9179 158 A 4.2987 7.7691 117.5058 52.7975 20.3713 175.6038 159 F 4.9712 7.9813 114.3992 57.4106 40.5466 175.8492 160 E 4.3040 9.1673 125.5824 56.3415 29.9622 174.4220 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 5 K 8.31 4.56 0.00 1.66 1.98 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 8.90 4.44 1.88 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 1.12 0.91 0.92 0.00 0.00 7 V 9.09 4.77 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 1.05 0.00 0.00 0.96 0.00 0.00 8 L 8.66 5.10 0.00 1.69 1.54 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.76 4.63 0.00 1.78 1.82 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.42 7.81 10 S 8.74 4.60 0.00 3.99 4.17 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 11 S 8.64 4.49 0.00 4.17 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 0.00 12 D 8.43 4.25 0.00 2.82 2.75 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 13 G 8.45 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 14 E 7.76 4.54 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 15 S 8.61 4.75 0.00 3.74 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 16 F 8.85 4.60 0.00 3.14 2.95 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 17 E 8.94 4.42 0.00 1.97 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 2.30 2.42 0.00 18 V 8.59 4.69 2.12 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 0.78 0.00 0.00 1.05 0.00 0.00 19 E 8.70 4.34 0.00 2.06 1.87 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 2.39 2.35 0.00 20 E 8.22 3.82 0.00 2.06 1.83 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 2.37 2.45 0.00 21 A 7.71 4.19 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.44 3.67 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 1.01 0.00 0.00 0.93 0.00 0.00 23 A 7.82 4.15 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 24 L 7.73 4.26 0.00 1.63 1.71 0.90 0.89 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 25 E 7.84 3.93 0.00 2.07 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 2.40 0.00 26 S 7.65 4.42 0.00 3.97 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 27 Q 8.61 4.05 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 28 T 7.73 3.97 4.09 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 1.09 0.00 0.00 29 I 7.59 3.95 2.05 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 1.36 0.78 0.88 0.00 0.00 30 A 8.04 4.06 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 31 H 7.99 4.40 0.00 3.23 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.56 4.80 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 33 V 7.69 4.39 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 0.98 0.00 0.00 34 E 7.53 4.18 0.00 1.97 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 2.33 2.27 0.00 35 D 8.37 4.55 0.00 2.77 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 36 D 6.89 4.51 0.00 2.85 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 37 C 8.32 4.36 0.00 3.02 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 38 V 7.80 3.69 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 1.08 0.00 0.00 0.93 0.00 0.00 39 D 8.26 4.40 0.00 2.69 2.75 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 40 N 8.16 4.85 0.00 2.70 2.79 0.00 0.00 7.09 7.01 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 41 G 8.15 4.10 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 0.00 0.00 0.00 42 V 8.31 3.79 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 43 P 0.00 4.86 0.00 2.11 2.14 0.00 3.71 0.00 0.00 3.95 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 44 L 8.82 4.89 0.00 1.85 1.78 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 5.42 0.00 2.20 2.21 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 46 N 8.33 4.64 0.00 1.52 1.95 0.00 0.00 6.94 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 47 V 7.31 4.23 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 1.03 0.00 0.00 1.26 0.00 0.00 48 T 8.34 4.29 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 1.29 0.00 0.00 49 S 8.73 4.31 0.00 4.44 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 50 K 8.13 4.00 0.00 1.91 1.83 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.58 7.81 51 I 7.66 3.77 2.01 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 1.54 0.81 0.94 0.00 0.00 52 L 8.23 3.78 0.00 1.62 1.56 0.74 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.86 4.01 1.62 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 0.00 0.00 54 K 7.82 4.18 0.00 2.09 2.10 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.70 1.56 7.81 55 V 8.13 3.75 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 1.09 0.00 0.00 1.01 0.00 0.00 56 I 8.04 3.75 2.03 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.96 0.00 0.00 57 E 8.46 3.95 0.00 2.28 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 0.00 2.69 2.55 0.00 58 Y 7.90 3.94 0.00 2.85 3.16 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 0.00 59 C 8.36 4.03 0.00 3.18 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 60 K 8.34 3.72 0.00 1.83 1.95 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 61 R 7.53 3.63 0.00 1.08 1.46 0.00 2.40 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 62 H 7.56 4.00 0.00 2.89 3.17 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.73 3.72 2.15 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 0.98 0.00 0.00 0.96 0.00 0.00 64 E 7.55 3.99 0.00 2.03 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 0.00 2.24 2.26 0.00 65 A 7.56 4.59 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 66 A 7.67 3.88 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 67 A 7.70 3.96 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 68 S 8.28 4.41 0.00 3.86 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 *80 D 8.51 4.67 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 81 D 8.06 4.35 0.00 2.76 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 82 D 8.00 4.64 0.00 2.74 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 83 L 7.88 4.01 0.00 1.89 1.74 0.79 0.95 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 84 K 8.22 4.00 0.00 1.85 1.93 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.57 7.81 85 A 7.45 3.98 1.40 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 0.00 0.00 0.00 86 W 8.22 4.15 0.00 3.49 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.15 4.50 0.00 2.98 2.89 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 88 A 7.81 4.02 1.39 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 89 D 8.04 4.35 0.00 2.96 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.04 4.04 0.00 2.05 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 7.41 4.04 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.80 0.00 92 K 7.32 4.25 0.00 1.83 1.71 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.47 7.81 93 I 6.84 4.48 1.69 0.00 0.00 0.56 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 0.46 0.71 0.00 0.00 94 D 7.96 4.61 0.00 2.76 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 95 Q 8.32 3.31 0.00 1.86 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 96 A 7.78 3.87 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.39 3.91 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 1.08 0.00 0.00 98 L 7.61 3.78 0.00 1.61 1.41 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.94 4.56 0.00 3.07 2.95 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 0.00 100 E 8.14 4.08 0.00 2.08 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 2.55 2.51 0.00 101 L 7.89 4.04 0.00 1.90 1.67 0.65 0.86 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 0.00 102 I 7.66 4.09 2.11 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 1.58 1.53 0.92 0.00 0.00 103 L 8.11 3.95 0.00 1.87 1.75 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.96 4.14 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.66 3.95 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 0.00 106 N 8.21 4.28 0.00 2.87 3.00 0.00 0.00 7.16 7.05 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 0.00 107 Y 8.20 4.49 0.00 3.10 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 0.00 108 L 8.10 4.60 0.00 1.63 1.38 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.33 4.97 0.00 2.62 2.75 0.00 0.00 6.73 7.94 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 0.00 110 I 7.91 4.28 1.90 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 1.21 0.75 1.03 0.00 0.00 111 K 8.53 3.90 0.00 1.84 1.83 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.66 7.81 112 N 8.27 4.35 0.00 3.01 2.95 0.00 0.00 6.75 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.80 3.58 0.00 1.46 1.69 0.23 0.50 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 0.00 114 L 8.51 3.93 0.00 1.83 1.65 0.96 1.56 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 0.00 115 D 8.28 4.57 0.00 2.87 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 0.00 116 L 7.28 4.49 0.00 1.92 1.61 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.71 3.82 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 118 C 8.05 4.09 0.00 3.19 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 0.00 119 Q 8.05 3.99 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 120 T 7.62 3.94 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 1.20 0.00 0.00 121 V 8.15 3.92 2.30 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 1.23 0.00 0.00 1.29 0.00 0.00 122 A 8.33 4.08 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 0.00 123 D 8.14 4.44 0.00 2.87 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 0.00 124 M 7.80 4.27 0.00 2.02 2.50 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.54 0.00 125 I 7.70 4.11 2.03 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 1.95 1.05 0.96 0.00 0.00 126 K 7.45 4.03 0.00 1.78 1.81 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.57 7.81 127 G 9.02 4.08 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 0.00 0.00 0.00 128 K 7.66 4.38 0.00 1.91 1.79 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.65 7.81 129 T 8.09 4.44 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 130 P 0.00 4.25 0.00 2.21 2.19 0.00 3.61 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 2.16 0.00 131 E 8.09 3.92 0.00 2.09 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 2.39 2.48 0.00 132 E 7.98 3.99 0.00 2.24 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 2.34 2.39 0.00 133 I 7.90 3.84 2.08 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 1.87 0.76 1.07 0.00 0.00 134 R 7.93 4.26 0.00 2.19 2.23 0.00 2.95 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 135 T 8.37 3.95 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 1.20 0.00 0.00 136 T 8.06 4.34 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 1.19 0.00 0.00 137 F 8.22 4.72 0.00 3.25 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 0.00 138 N 8.13 4.20 0.00 2.82 2.85 0.00 0.00 6.84 7.94 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 0.00 139 I 8.39 4.53 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 0.86 0.00 0.00 140 K 8.55 4.12 0.00 1.84 1.82 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.38 7.81 141 N 8.74 4.32 0.00 2.75 2.86 0.00 0.00 7.17 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.09 4.78 0.00 2.73 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 0.00 143 F 8.39 4.71 0.00 3.21 2.86 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 0.00 144 T 8.82 4.15 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 1.35 0.00 0.00 145 P 0.00 4.34 0.00 2.17 2.14 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 146 E 8.10 3.97 0.00 2.05 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 2.40 2.45 0.00 147 E 7.93 3.88 0.00 2.21 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 2.39 2.37 0.00 148 E 7.96 3.19 0.00 1.87 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 0.00 2.15 2.02 0.00 149 E 7.88 3.71 0.00 2.15 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 2.15 2.18 0.00 150 E 8.24 3.76 0.00 2.14 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 2.27 2.29 0.00 151 V 7.75 3.48 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 0.91 0.00 0.00 0.84 0.00 0.00 152 R 7.97 3.68 0.00 1.84 1.81 0.00 3.02 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 153 R 7.85 2.85 0.00 1.67 1.38 0.00 3.04 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.63 0.00 154 E 8.22 3.72 0.00 2.20 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 0.00 2.35 2.43 0.00 155 N 8.10 4.37 0.00 2.83 2.85 0.00 0.00 7.01 7.31 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 0.00 156 Q 7.48 4.47 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 157 W 8.30 4.82 0.00 3.32 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 0.00 158 A 7.77 4.30 0.41 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 0.00 159 F 7.98 4.97 0.00 3.07 2.89 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 0.00 160 E 9.17 4.30 0.00 2.05 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 0.00 2.17 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.