NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.3145 8.2649 123.5832 52.5882 19.8636 175.6839 15 S 4.7535 7.5195 116.4969 55.6686 66.9749 173.9593 16 F 4.1054 9.1549 120.8875 57.3503 40.1433 175.1483 17 S 4.1271 8.9346 117.1580 58.1668 62.4092 172.6542 18 P 4.3821 0.0000 0.0000 63.2365 31.5997 176.9628 19 R 4.2964 8.5000 120.8033 55.4142 30.9117 173.7741 20 P 4.7602 0.0000 0.0000 61.2832 30.8980 176.6360 *24 D 4.4764 8.4283 117.8853 52.8762 40.4715 175.9321 25 S 4.1850 9.1222 114.4610 61.9349 62.5873 176.8942 26 K 3.9341 8.1284 120.4590 59.5079 31.7359 179.0300 27 A 3.9964 8.3982 120.9106 55.2368 18.2424 179.9207 28 V 3.6352 8.0117 116.7843 65.8313 31.4975 178.1764 29 L 4.1904 8.3770 119.2094 58.0602 41.5296 179.1018 30 N 4.3195 8.4289 116.9203 56.4371 38.8067 176.5219 31 Q 4.2456 8.6038 121.2289 59.5211 29.1441 178.5489 32 A 4.3272 8.5957 121.8094 54.9879 18.5152 179.6132 33 V 3.5564 8.2329 116.9376 66.2305 31.6235 178.1974 34 A 4.1349 8.4239 120.2417 55.5038 18.3459 179.4122 35 D 4.4071 8.7389 117.8950 57.5437 40.8495 179.0816 36 L 4.2535 8.7408 119.9096 57.8250 41.7188 179.7478 37 S 3.9175 7.8406 115.0380 61.4337 62.5270 176.9179 38 V 3.6365 7.9254 120.8009 65.8207 31.2001 177.8729 39 A 4.0103 8.5898 121.0292 55.3990 18.1472 179.0640 40 H 4.0089 8.4913 116.8240 59.4599 29.9314 177.4111 41 S 4.1163 8.0177 114.5242 61.5004 62.1342 176.2478 42 I 3.7078 8.0795 122.7294 64.3958 36.7714 178.3513 43 L 3.9250 8.2110 120.1918 58.0957 41.3138 179.1628 44 H 3.6985 8.1379 118.2769 58.7994 29.6083 177.0759 45 Q 4.2883 8.1492 121.5473 59.3246 28.4419 178.4263 46 V 3.6341 8.0210 119.4277 66.2419 31.3107 177.1761 47 H 4.1382 8.1832 116.9180 59.4242 29.7384 176.9384 48 W 4.6617 8.3031 119.2688 59.5864 29.0440 177.3418 49 Y 4.3557 8.2495 113.6100 56.9501 38.0464 175.6323 50 M 4.3866 7.5097 120.4943 55.9765 32.9163 175.5449 51 R 4.7147 8.7938 123.1936 55.5865 34.6693 173.8073 52 G 4.0842 8.8861 106.0055 43.8893 0.0000 173.6170 53 R 4.2753 8.3459 118.9868 57.3453 30.4977 177.4429 54 G 4.2883 9.4741 110.0020 45.4413 0.0000 175.0592 55 F 4.1010 8.7798 122.3040 62.0276 39.0321 176.8661 56 M 4.2668 8.2687 115.4240 58.0666 32.1888 177.2112 57 I 3.7731 7.5512 118.2526 63.0714 38.5302 177.3531 58 W 4.2074 8.2679 119.8330 59.1357 28.6493 178.1976 59 H 3.8817 8.2549 119.2346 58.7080 29.3605 175.6640 60 P 3.9493 0.0000 0.0000 65.4408 31.0873 178.0997 61 K 3.5898 7.4440 119.6472 59.4901 31.8862 178.6256 62 M 4.0291 7.8926 119.0444 58.2802 31.7230 178.4373 63 D 4.1416 7.3549 118.8373 57.2167 40.9620 178.5627 64 E 3.8805 7.7919 118.5827 59.6815 29.3976 179.0806 65 Y 4.4744 7.9177 116.8288 61.4438 37.8516 178.4926 66 M 4.0670 8.4870 120.0669 58.4974 32.0355 178.7105 67 E 3.9227 8.4129 118.8851 59.1611 29.5905 179.0551 68 E 3.6757 8.3025 119.4558 59.2536 29.6503 178.8542 69 I 3.7922 8.0977 120.2505 64.6285 37.1341 178.1677 70 D 4.4058 8.4625 120.0243 57.0488 40.5369 179.0816 71 G 3.4213 7.8536 106.2858 48.0532 0.0000 175.3968 72 Y 4.3418 7.2691 119.6528 60.5503 37.7741 178.3371 73 L 3.9587 8.3666 121.4132 58.0809 42.1102 178.9458 74 A 3.9636 8.1477 120.5966 55.2461 18.3937 179.3901 75 E 3.8612 8.2695 117.0895 59.9550 29.5378 179.6181 76 M 3.9726 8.3437 119.1103 57.9736 32.0928 179.0080 77 S 4.1321 8.4015 114.8920 61.5566 63.1458 176.4457 78 E 3.9308 8.3395 122.5190 58.9146 29.1958 179.2487 79 R 3.8113 7.9993 118.7604 59.2556 30.0524 178.2483 80 L 3.9322 8.0151 120.0898 58.3214 42.1190 179.0582 81 I 3.8441 7.9030 119.7030 64.7906 36.8080 178.5720 82 T 3.9210 7.9749 115.7815 66.3774 68.3530 175.8546 83 L 4.3308 7.7378 118.2354 55.0281 41.8303 177.6981 84 G 3.8371 8.0446 107.6870 45.4128 0.0000 174.0827 85 G 3.8074 7.8379 109.1222 44.0560 0.0000 173.6344 86 A 4.4080 7.9926 121.7970 49.5082 20.3428 174.2931 87 P 4.5366 0.0000 0.0000 62.9703 32.1735 176.6476 88 F 4.5298 8.4882 120.3508 59.0631 39.3514 176.6124 89 S 4.7849 8.7868 118.1519 56.5868 63.4935 174.9218 90 T 4.4784 6.9124 109.8372 59.9423 72.9152 173.5495 91 L 3.9461 8.2082 122.3347 57.6759 41.6266 179.6897 92 K 3.8587 7.8252 119.1640 59.6177 32.2609 178.5272 93 E 3.7372 7.7336 118.3027 59.2417 29.2983 179.4253 94 F 4.3645 7.5879 117.7745 60.7157 38.8061 177.7220 95 S 4.1362 8.1935 111.7172 61.4320 62.3310 175.6188 96 E 4.1727 8.2896 119.6263 58.1241 29.4536 177.7488 97 N 4.6301 7.6182 114.6820 52.9003 39.7966 175.5266 98 S 4.4519 7.3744 114.9920 58.3961 62.9325 173.9984 99 Q 4.1888 8.7133 124.4843 56.7753 29.0245 176.4527 100 L 4.0200 7.6230 121.1248 54.3422 42.5175 176.7927 101 K 4.5567 8.2714 123.2670 52.7739 33.9527 174.9899 102 E 4.7203 8.5044 122.8190 54.0092 31.4746 175.5663 103 V 4.5431 7.7257 113.4094 58.9543 35.5705 175.6689 104 L 4.0549 8.2564 121.3341 54.4965 42.0376 177.8982 105 G 2.7532 8.0289 111.1390 45.4020 0.0000 172.6804 106 D 4.4036 7.0516 120.1101 52.8617 43.8792 175.0070 107 Y 4.7608 8.7558 123.3973 59.9359 38.2931 176.5292 108 N 4.5620 8.6712 116.7972 53.8483 39.0144 175.6216 109 V 3.8072 7.1546 119.2487 62.6688 32.3712 176.2959 110 T 4.4202 8.1643 116.7707 60.8573 71.3668 175.9735 111 I 3.6575 8.1841 122.4824 64.6355 37.1747 178.3640 112 E 3.8317 8.1344 118.8512 59.5424 29.3183 179.0192 113 E 3.9133 8.1628 119.1675 59.1634 29.6751 178.8257 114 Q 3.9346 8.1723 118.2225 59.0444 28.7271 178.8615 115 L 3.7066 8.0762 120.0853 57.4448 41.5380 179.3230 116 A 3.8546 7.9254 120.8540 55.0203 18.2614 179.6462 117 R 3.7328 7.9895 117.1879 59.5462 30.0806 178.9129 118 V 3.2162 7.5314 118.0270 65.7703 31.4345 178.0549 119 V 3.4297 7.7370 118.1616 66.0045 31.3437 177.8782 120 E 3.9556 8.1682 118.2241 59.3849 29.2368 179.4390 121 V 3.6682 7.7828 118.2205 66.2339 31.5023 178.1652 122 F 4.4615 8.5123 117.7753 60.5628 38.7330 177.9701 123 R 3.9306 8.7094 118.3430 59.1946 29.7481 178.3704 124 Y 3.9140 8.1247 119.2924 60.7723 38.7999 178.2170 125 L 3.3609 8.1979 119.7622 57.5021 41.5446 179.4233 126 A 3.8365 8.0719 120.7841 54.9360 18.2832 179.5917 127 A 3.7686 7.8109 119.3421 55.0528 18.3285 179.5924 128 L 3.6646 7.5169 119.2108 58.2936 42.0519 179.3124 129 F 4.3966 8.2118 118.1411 60.3416 38.7112 177.5093 130 Q 4.0371 8.4731 122.1815 59.6652 28.7438 179.0987 131 K 4.0309 8.0800 124.8900 59.7156 31.7109 181.2954 132 G 2.4833 7.8503 107.4052 46.8434 0.0000 175.5063 133 F 3.9889 8.2328 123.3844 61.3503 39.4666 177.0614 134 D 4.4205 8.5191 118.7473 57.3481 40.6290 178.9952 135 V 3.5806 8.0424 119.3821 65.9902 31.6755 178.2996 136 S 4.4045 7.9703 115.4533 60.7381 63.0303 175.9700 137 D 4.1787 8.1643 124.2299 57.7593 40.7349 178.6813 138 E 3.9945 7.9335 117.7073 60.9289 29.7959 179.9591 139 E 4.4096 8.0498 117.8560 56.4016 29.8196 177.1965 140 G 3.7812 7.5191 105.6630 47.0985 0.0000 174.5965 141 D 4.6168 7.8515 121.7243 52.7327 39.7306 176.4906 142 S 4.1269 8.0923 120.7446 60.4482 63.6151 176.6138 143 V 3.4812 7.6185 121.6399 66.2890 31.4400 177.8734 144 T 3.7504 7.8996 115.0058 66.5786 68.2778 175.9734 145 N 4.6413 8.0696 120.2463 56.2970 38.8319 176.4540 146 D 4.4121 8.0900 119.3265 57.1130 41.3557 178.1996 147 I 3.5276 7.5099 120.0826 64.4211 37.0470 178.3929 148 F 3.9301 7.8641 118.4950 60.3954 38.7211 177.3251 149 N 4.3607 8.5229 116.7955 56.7007 38.7045 177.1886 150 V 3.5718 8.1026 119.7738 65.8271 31.5899 177.9025 151 A 3.3127 7.5313 120.3419 54.6518 17.9407 179.4118 152 K 4.0007 8.1225 118.0579 59.6039 32.3282 178.6259 153 A 3.9655 7.9910 120.9463 55.4804 18.3392 179.6609 154 S 4.0751 7.9064 111.2728 61.4517 62.4127 176.2662 155 I 3.5335 7.9421 122.6476 64.4675 36.8335 178.2910 156 E 4.0275 8.4655 119.5028 59.0555 29.2535 179.2884 157 K 4.2692 8.1074 119.7201 60.0172 32.2415 178.5728 158 H 4.4218 8.3131 116.4503 58.9811 28.5227 177.7448 159 I 3.8193 8.2469 121.8242 64.1282 36.8749 178.0763 160 W 4.3548 8.4214 129.0576 61.0132 30.5037 177.9684 161 M 3.3502 7.8024 118.3374 58.0276 31.4512 178.7680 162 L 3.9935 8.3311 119.5163 57.9732 41.7912 179.6191 163 Q 3.9926 8.4053 117.9391 58.8541 28.5554 178.7009 164 A 4.0608 8.2507 122.1786 55.1419 18.1942 179.0704 165 E 3.9566 8.1414 116.8376 59.5196 29.7774 178.3920 166 L 4.3060 7.4998 115.2465 54.7409 41.8075 177.8359 167 G 3.9402 8.1251 107.5582 45.6629 0.0000 173.5448 168 Q 4.6043 8.1010 117.9406 53.5196 30.8826 175.5761 169 A 4.3536 8.2333 122.7577 51.4246 19.2076 176.3357 170 P 4.4121 0.0000 0.0000 63.9279 31.6471 177.3324 171 K 3.8730 7.9870 115.0266 57.7030 29.3188 175.3916 172 L 4.3207 8.0025 122.9254 54.9295 41.8934 176.8007 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 14 A 8.26 4.31 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 15 S 7.52 4.75 0.00 3.96 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 16 F 9.15 4.11 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.93 4.13 0.00 4.03 4.13 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 0.00 0.00 0.00 0.00 18 P 0.00 4.38 0.00 2.25 2.09 0.00 3.88 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 2.02 2.00 0.00 19 R 8.50 4.30 0.00 1.85 1.77 0.00 3.27 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 20 P 0.00 4.76 0.00 2.19 1.63 0.00 3.85 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 2.04 2.00 0.00 *24 D 8.43 4.48 0.00 3.24 2.92 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 25 S 9.12 4.18 0.00 3.89 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.13 3.93 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.97 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.52 7.81 27 A 8.40 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.01 3.64 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 0.94 0.00 0.00 0.94 0.00 0.00 29 L 8.38 4.19 0.00 1.94 1.74 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.43 4.32 0.00 2.85 2.63 0.00 0.00 6.88 6.52 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 31 Q 8.60 4.25 0.00 2.44 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.79 0.00 32 A 8.60 4.33 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 0.00 0.00 0.00 0.00 0.00 33 V 8.23 3.56 2.48 0.00 0.00 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 1.08 0.00 0.00 34 A 8.42 4.13 1.52 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 0.00 0.00 35 D 8.74 4.41 0.00 2.87 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 36 L 8.74 4.25 0.00 1.76 1.80 1.13 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.84 3.92 0.00 3.42 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 38 V 7.93 3.64 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 1.09 0.00 0.00 1.04 0.00 0.00 39 A 8.59 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.49 4.01 0.00 3.34 3.45 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.02 4.12 0.00 4.04 4.11 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 0.00 0.00 0.00 42 I 8.08 3.71 1.98 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 1.50 0.65 0.87 0.00 0.00 43 L 8.21 3.92 0.00 1.73 1.68 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.14 3.70 0.00 3.04 2.73 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.15 4.29 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 46 V 8.02 3.63 2.22 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 0.95 0.00 0.00 0.98 0.00 0.00 47 H 8.18 4.14 0.00 3.03 3.37 0.00 6.00 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 48 W 8.30 4.66 0.00 3.51 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 49 Y 8.25 4.36 0.00 3.10 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 50 M 7.51 4.39 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.88 0.00 51 R 8.79 4.71 0.00 1.90 1.80 0.00 3.31 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 52 G 8.89 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 53 R 8.35 4.28 0.00 1.87 1.96 0.00 3.38 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 54 G 9.47 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 0.00 0.00 0.00 0.00 55 F 8.78 4.10 0.00 3.38 3.13 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 0.00 0.00 0.00 0.00 56 M 8.27 4.27 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 57 I 7.55 3.77 1.65 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.43 0.55 0.00 0.00 58 W 8.27 4.21 0.00 3.50 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.25 3.88 0.00 1.85 2.49 0.00 5.78 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 3.95 0.00 2.17 2.21 0.00 3.56 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 61 K 7.44 3.59 0.00 1.54 1.86 0.00 1.07 0.00 0.00 1.22 0.00 0.00 2.62 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.06 0.46 7.81 62 M 7.89 4.03 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.02 0.00 63 D 7.35 4.14 0.00 2.79 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 64 E 7.79 3.88 0.00 1.93 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 2.23 2.19 0.00 65 Y 7.92 4.47 0.00 3.21 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 66 M 8.49 4.07 0.00 1.83 2.15 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.23 0.00 67 E 8.41 3.92 0.00 2.08 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 2.41 2.41 0.00 68 E 8.30 3.68 0.00 2.04 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 0.00 1.95 1.99 0.00 69 I 8.10 3.79 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.97 1.04 0.00 0.00 70 D 8.46 4.41 0.00 2.83 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 71 G 7.85 3.42 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 72 Y 7.27 4.34 0.00 3.21 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 73 L 8.37 3.96 0.00 1.75 1.85 0.89 1.31 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 74 A 8.15 3.96 1.38 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 0.00 0.00 75 E 8.27 3.86 0.00 2.13 1.93 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 2.31 2.56 0.00 76 M 8.34 3.97 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 1.98 0.00 77 S 8.40 4.13 0.00 4.06 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 78 E 8.34 3.93 0.00 2.06 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 2.32 2.43 0.00 79 R 8.00 3.81 0.00 1.95 1.97 0.00 3.10 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 80 L 8.02 3.93 0.00 1.85 1.82 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.90 3.84 1.99 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 1.52 0.89 0.91 0.00 0.00 82 T 7.97 3.92 4.38 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 1.19 0.00 0.00 83 L 7.74 4.33 0.00 1.77 1.70 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.04 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 0.00 0.00 0.00 85 G 7.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.99 4.41 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 87 P 0.00 4.54 0.00 2.30 2.10 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 88 F 8.49 4.53 0.00 3.40 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 89 S 8.79 4.78 0.00 4.02 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 90 T 6.91 4.48 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 1.11 0.00 0.00 91 L 8.21 3.95 0.00 1.69 1.80 1.00 1.24 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 92 K 7.83 3.86 0.00 1.75 1.69 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.62 1.63 7.81 93 E 7.73 3.74 0.00 1.92 1.58 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 2.30 2.24 0.00 94 F 7.59 4.36 0.00 3.12 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 95 S 8.19 4.14 0.00 3.96 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 96 E 8.29 4.17 0.00 2.05 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 2.35 2.45 0.00 97 N 7.62 4.63 0.00 2.34 2.71 0.00 0.00 6.92 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.37 4.45 0.00 4.10 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 Q 8.71 4.19 0.00 1.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 100 L 7.62 4.02 0.00 1.51 1.45 0.95 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.27 4.56 0.00 1.75 1.56 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 0.99 7.81 102 E 8.50 4.72 0.00 1.93 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 2.23 2.30 0.00 103 V 7.73 4.54 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 0.70 0.00 0.00 0.86 0.00 0.00 104 L 8.26 4.05 0.00 1.55 1.51 0.90 0.87 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 0.00 105 G 8.03 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 0.00 0.00 0.00 106 D 7.05 4.40 0.00 2.41 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.76 4.76 0.00 3.26 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 0.00 108 N 8.67 4.56 0.00 2.81 2.90 0.00 0.00 6.90 8.51 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 0.00 109 V 7.15 3.81 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 0.85 0.00 0.00 0.91 0.00 0.00 110 T 8.16 4.42 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 1.22 0.00 0.00 111 I 8.18 3.66 1.87 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 1.80 1.32 0.78 0.00 0.00 112 E 8.13 3.83 0.00 2.01 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 2.37 2.39 0.00 113 E 8.16 3.91 0.00 2.02 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 2.26 2.31 0.00 114 Q 8.17 3.93 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 115 L 8.08 3.71 0.00 1.33 1.25 -0.38 -0.09 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 0.00 116 A 7.93 3.85 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 0.00 117 R 7.99 3.73 0.00 1.87 2.08 0.00 3.09 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 118 V 7.53 3.22 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 0.04 0.00 0.00 0.80 0.00 0.00 119 V 7.74 3.43 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 0.85 0.00 0.00 0.95 0.00 0.00 120 E 8.17 3.96 0.00 2.17 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 0.00 2.30 2.48 0.00 121 V 7.78 3.67 2.14 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 1.26 0.00 0.00 0.92 0.00 0.00 122 F 8.51 4.46 0.00 3.14 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.71 3.93 0.00 1.98 2.00 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 124 Y 8.12 3.91 0.00 3.12 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 0.00 125 L 8.20 3.36 0.00 1.56 0.79 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.07 3.84 1.29 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 0.00 0.00 0.00 127 A 7.81 3.77 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 0.00 128 L 7.52 3.66 0.00 1.09 1.30 0.91 1.12 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 0.00 129 F 8.21 4.40 0.00 3.17 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 0.00 130 Q 8.47 4.04 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 131 K 8.08 4.03 0.00 1.82 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 132 G 7.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.23 3.99 0.00 3.27 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 0.00 134 D 8.52 4.42 0.00 2.84 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 0.00 135 V 8.04 3.58 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 1.07 0.00 0.00 0.95 0.00 0.00 136 S 7.97 4.40 0.00 4.27 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.16 4.18 0.00 2.47 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 7.93 3.99 0.00 2.12 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 2.26 2.19 0.00 139 E 8.05 4.41 0.00 2.18 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 0.00 2.30 2.30 0.00 140 G 7.52 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 0.00 0.00 0.00 141 D 7.85 4.62 0.00 2.70 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 0.00 142 S 8.09 4.13 0.00 4.04 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 0.00 143 V 7.62 3.48 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 1.01 0.00 0.00 0.90 0.00 0.00 144 T 7.90 3.75 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 145 N 8.07 4.64 0.00 2.65 2.87 0.00 0.00 6.45 8.27 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 0.00 146 D 8.09 4.41 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 0.00 147 I 7.51 3.53 1.62 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.51 0.00 0.00 148 F 7.86 3.93 0.00 3.37 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 0.00 149 N 8.52 4.36 0.00 3.36 3.02 0.00 0.00 6.85 6.99 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 0.00 150 V 8.10 3.57 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 0.98 0.00 0.00 0.94 0.00 0.00 151 A 7.53 3.31 -0.15 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 0.00 152 K 8.12 4.00 0.00 2.10 1.96 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.52 7.81 153 A 7.99 3.97 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 0.00 154 S 7.91 4.08 0.00 3.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.94 3.53 1.85 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.74 0.73 0.00 0.00 156 E 8.47 4.03 0.00 2.25 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 2.35 2.42 0.00 157 K 8.11 4.27 0.00 2.07 2.01 0.00 1.75 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.73 1.96 7.81 158 H 8.31 4.42 0.00 3.46 3.44 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 0.00 159 I 8.25 3.82 2.16 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.03 1.00 0.00 0.00 160 W 8.42 4.35 0.00 3.41 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 M 7.80 3.35 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.11 0.00 162 L 8.33 3.99 0.00 1.86 1.59 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.41 3.99 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 164 A 8.25 4.06 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 0.00 165 E 8.14 3.96 0.00 2.22 2.22 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 2.35 2.45 0.00 166 L 7.50 4.31 0.00 1.81 1.65 0.82 0.60 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 0.00 167 G 8.13 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.10 4.60 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 169 A 8.23 4.35 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 0.00 170 P 0.00 4.41 0.00 2.13 2.30 0.00 3.88 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 2.39 0.00 171 K 7.99 3.87 0.00 1.93 1.92 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.26 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.64 7.81 172 L 8.00 4.32 0.00 1.62 1.55 0.99 0.92 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 * Residues marked with a * may have inaccurate shift predictions.