NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.1196 8.2649 123.5613 51.7934 18.8988 175.7338 7 K 4.4756 7.7749 120.2453 53.4609 35.0057 174.8187 8 L 4.3677 8.9604 121.3972 55.6252 43.2307 176.6802 9 N 4.3186 8.9062 116.7987 54.3590 37.1810 173.7732 10 H 5.2167 7.5814 113.2656 52.7618 32.5947 171.2270 11 P 4.6394 0.0000 0.0000 63.3395 31.0146 175.8108 12 A 4.1610 8.5458 126.5299 51.2837 19.2649 175.4254 13 P 4.1403 0.0000 0.0000 62.3603 31.8845 176.2260 14 E 4.2278 8.7028 124.9034 56.0106 30.3837 175.6411 15 F 5.1244 8.1345 120.9457 55.3148 41.4851 173.9943 16 D 4.8879 8.7515 121.3481 55.3985 42.9115 172.8664 17 D 4.5550 9.6711 133.4191 54.2729 47.3800 176.8400 *19 A 4.3548 9.1950 116.2373 51.6181 20.7307 178.2653 20 L 4.7827 8.5381 123.0590 54.2116 43.3878 174.9252 *22 P 4.4703 0.0000 0.0000 62.4797 32.3643 177.7937 23 N 4.1979 7.7517 114.1057 53.6571 37.3981 174.6210 24 G 4.3059 7.2022 113.7090 44.6670 0.0000 172.8762 25 T 3.9965 7.8253 116.7958 63.1296 69.2789 173.8623 26 F 5.3927 8.4715 121.0592 56.1067 40.5150 174.9276 27 K 4.6770 8.7439 125.0094 54.1284 35.0614 175.5154 28 K 4.4391 8.7456 128.0836 56.0204 32.7312 175.8126 29 V 4.6047 8.8604 128.7418 61.4202 33.9326 174.6741 30 S 5.1754 8.2746 119.0820 55.7752 66.0681 174.9364 31 L 3.5482 7.7619 123.7045 57.9920 41.5811 179.6579 32 S 4.1857 7.9225 114.2116 61.0747 62.6523 176.4532 33 S 4.0405 7.6728 118.5550 61.6433 62.8154 175.3294 34 Y 4.6141 7.9732 116.5216 56.9126 37.6784 174.1329 35 K 4.0596 7.8189 122.4632 59.9317 31.9773 174.6250 36 G 3.5867 7.0242 121.6199 45.0379 0.0000 171.9087 37 K 4.8274 8.2545 119.9840 54.3928 36.2709 175.2149 38 Y 4.5013 8.8300 118.9807 57.8142 39.4551 175.1824 39 V 4.8275 9.1224 122.4720 61.0552 35.3203 174.4712 40 V 4.7728 8.5550 127.0417 61.2464 33.7736 173.6133 41 L 5.0167 8.7020 131.2894 53.2971 43.8763 175.1437 42 F 5.5109 8.2757 119.8011 55.3370 41.1626 173.6485 43 F 5.2135 9.9762 119.9784 55.4599 42.0696 174.0729 44 Y 4.9003 7.7057 117.2101 55.2188 40.4111 173.1272 45 P 4.2506 0.0000 0.0000 65.9877 31.5313 177.3136 *47 D 3.5411 7.8634 116.2692 53.6519 42.7425 177.2865 48 F 3.9785 6.6096 116.9886 56.6661 38.7570 175.3910 49 T 3.9469 7.1474 110.4642 61.9258 69.4145 173.9808 50 F 5.0583 8.4567 119.1828 58.9747 39.6483 177.3198 51 V 4.0595 7.7122 119.1771 60.7696 32.4358 175.6702 52 C 4.3019 8.5827 119.5428 59.6817 28.4761 173.1605 53 P 4.7100 0.0000 0.0000 63.6912 30.5803 178.0183 54 T 3.8049 8.0248 115.6366 65.5316 66.7908 175.0723 55 E 3.9340 8.2474 120.3629 59.3781 29.6883 178.3165 56 I 4.0790 7.9460 119.1495 64.7572 37.1464 178.1484 57 I 3.6951 8.0338 120.4106 64.7187 36.9679 178.2047 58 Q 3.8945 8.5314 119.0355 59.3147 28.2883 179.8692 59 F 3.9228 7.6744 116.9186 60.6618 39.0746 177.0105 60 S 4.3357 7.7330 111.4325 61.8688 62.3328 175.9779 61 D 4.5105 8.4338 121.3729 57.4973 40.7051 178.1362 62 D 4.4523 8.2079 116.0310 55.1431 40.4772 178.0169 63 A 4.2264 7.9980 123.9736 55.2925 18.3949 179.7947 64 K 3.8447 8.1085 117.3654 59.9246 32.1238 178.5206 65 R 3.8677 8.0170 117.0702 59.5452 30.0686 178.1308 66 F 4.2329 8.5739 117.5587 60.6224 38.9615 177.3018 67 A 4.3515 8.5269 122.1625 54.7115 17.8417 179.1842 68 E 3.9848 8.2466 116.7261 58.2841 29.6576 177.1225 69 I 4.3526 8.3959 119.7919 60.7957 38.6601 175.1292 70 N 4.8355 8.2599 113.5405 54.1505 37.8214 172.3714 71 T 5.3838 7.5796 105.4889 59.4074 71.8178 172.2580 72 E 4.8708 9.3727 125.6552 54.6492 32.4262 174.8799 73 V 4.8757 8.2228 117.4077 59.8655 35.6525 174.7962 74 I 4.6044 8.6222 122.3181 60.0388 41.7987 174.6611 75 S 3.7956 7.9100 123.9887 56.7600 65.3923 172.5296 76 C 4.6601 7.4373 114.5066 59.5349 35.1425 172.6624 77 S 4.4265 7.4910 118.0088 57.3527 65.8961 173.8504 78 C 4.9312 8.2963 115.5144 60.3060 28.0737 173.5930 79 D 4.8889 7.3408 118.9419 52.3694 42.5807 177.4195 80 S 4.2263 8.2591 116.9554 58.0942 65.0615 174.9178 81 E 3.7446 8.8091 122.9197 60.4082 28.8476 179.3574 82 Y 4.2914 8.3118 116.7950 60.8979 37.8319 177.9850 83 S 4.5471 7.7426 112.1126 61.6659 62.7038 175.6542 84 H 4.7594 8.5763 120.5187 58.3074 28.4825 177.1472 85 L 4.0508 8.2314 122.0959 58.6593 41.4653 178.6447 86 Q 4.1032 8.9823 119.5211 59.1829 28.5524 178.1958 87 W 5.0969 8.8594 128.6905 59.6759 30.4759 177.6336 88 T 3.7796 8.3075 112.9630 64.1254 66.5900 176.4543 89 S 4.2369 7.6829 114.7589 60.2386 63.7371 175.2478 90 V 3.7423 7.4404 122.2440 62.2804 32.2317 174.6040 91 D 4.5052 8.6848 127.0294 54.0910 41.2741 177.0820 92 R 3.9472 8.7999 124.6615 59.5074 30.1700 177.2117 93 K 3.9967 8.1111 117.5376 58.5818 33.1620 177.0321 94 K 4.3528 8.4967 121.7538 55.6438 31.3449 176.9465 95 G 3.9922 8.0754 103.6105 46.3182 0.0000 174.1105 96 G 4.0623 7.3542 108.4689 44.4800 0.0000 172.7186 97 L 3.8748 7.2153 118.8055 54.2155 43.8995 177.6759 98 G 3.9084 7.2183 108.3927 43.4657 0.0000 170.8000 99 P 3.9112 0.0000 0.0000 61.6632 32.0627 176.2903 *101 A 4.3169 8.2626 119.5448 51.7617 19.9959 176.3152 102 I 4.7023 7.4440 116.5014 58.8275 40.4999 175.8434 103 P 4.7304 0.0000 0.0000 62.3422 31.5257 175.1865 *105 L 4.2349 8.2860 121.1061 55.7383 43.5981 176.4650 106 A 4.7162 8.3548 122.7255 50.6946 21.2769 175.3897 107 D 4.6856 8.3934 122.6758 52.2317 38.8200 177.5723 108 K 3.9748 8.4067 126.4254 59.7511 32.9454 178.4727 109 T 3.9244 7.8107 113.2007 62.7239 67.7321 175.9891 110 K 4.1946 8.3173 118.6794 56.6360 30.9799 177.5060 111 A 4.0377 7.5277 120.7709 55.3054 18.1342 180.0587 112 I 3.7799 7.8950 117.3652 64.5422 37.4380 177.9704 113 A 3.9254 8.1827 121.4361 55.5466 18.1030 179.9203 114 R 3.8373 8.0657 115.9886 59.3821 29.9279 178.9932 115 A 3.9211 7.8111 119.3674 54.9926 18.3959 178.3140 116 Y 3.9292 7.9614 112.0109 56.4334 38.7930 175.7047 117 G 3.9311 8.0165 108.0908 47.2606 0.0000 174.5047 118 V 4.2074 7.6792 116.2906 61.8444 33.2172 174.4835 119 L 4.5287 7.7095 120.9564 55.3140 42.8095 175.9710 120 D 4.8429 8.6962 126.0868 52.2714 40.1103 176.0640 121 E 4.0415 8.8033 125.4652 59.4662 29.9208 178.8927 122 D 4.5125 8.2844 117.3748 56.9854 41.0853 177.4029 123 S 4.3109 7.9875 112.2250 58.4871 63.8894 175.2965 124 G 3.9415 8.9604 108.0291 44.7151 0.0000 172.4992 125 V 4.5600 7.6101 111.5837 59.1878 35.8903 174.4061 126 A 5.0978 8.2850 122.8379 51.0531 20.7389 176.6088 127 Y 4.1807 8.6777 117.9769 57.1517 39.7052 177.5459 128 R 4.6768 8.0042 119.4439 56.0356 28.2362 175.9785 129 G 4.4321 8.4257 109.9300 44.7520 0.0000 170.0379 130 V 5.1991 8.4842 121.6753 61.3612 35.2730 173.7516 131 F 5.6233 9.8419 126.0297 54.7036 43.3685 174.0492 132 I 5.0633 8.5951 121.9324 59.8945 39.9235 174.3502 133 I 5.0409 8.9676 129.2137 59.7381 39.4931 175.6499 134 D 4.4176 9.0265 126.6956 51.4801 40.7823 175.6098 135 P 4.6729 0.0000 0.0000 64.6634 31.2883 177.7428 136 N 4.5806 8.1469 113.0064 53.0342 38.9676 175.4826 137 G 3.8728 8.7463 107.6023 45.7965 0.0000 173.1394 138 K 4.8367 8.5213 119.0210 53.9232 34.2111 175.3918 139 L 4.5959 8.3565 124.9344 55.1789 42.8895 177.0423 140 R 4.9061 9.0463 123.4791 55.5032 32.5657 175.0261 141 Q 4.6073 7.8883 118.8048 55.3009 32.5191 172.6204 142 I 4.6558 8.4939 126.7251 59.5915 40.5506 175.1921 143 I 4.4605 7.6138 126.4062 60.1147 41.8310 173.9937 144 I 4.9146 8.2512 127.0958 59.7394 39.6016 174.6922 145 N 4.8534 9.4319 125.4742 51.9371 40.9571 177.1857 146 D 4.9042 8.8138 124.3497 54.4972 40.0780 176.4829 *148 P 4.3586 0.0000 0.0000 61.6638 33.1861 175.8306 149 I 4.2418 7.5241 120.0485 59.2228 37.0586 175.9599 150 G 3.8656 8.5449 114.5345 45.7124 0.0000 171.8029 151 R 4.4973 8.8285 119.3653 54.5301 32.2476 176.5177 152 N 4.6609 8.1915 118.3146 51.6307 38.9205 174.9117 153 V 3.2785 8.1082 125.5747 66.0234 31.3322 177.0864 154 E 3.8176 8.1540 117.4797 59.4194 29.2184 178.8294 155 E 3.8753 8.1515 119.1334 59.2264 29.7097 178.7860 156 V 3.6692 7.8067 117.7579 66.2841 31.5036 177.6806 157 I 3.7194 7.9007 119.1449 64.4169 36.8891 178.0171 158 R 3.8169 8.1897 119.8159 59.7881 29.8718 178.1820 159 L 3.9445 8.3122 118.7373 57.7528 41.5300 179.7837 160 V 3.4667 7.8840 117.9831 66.0141 31.5482 177.6319 161 E 3.8744 8.5667 118.4373 59.5620 29.2458 179.1079 162 A 4.0241 8.5560 120.9533 55.3614 18.1439 179.6691 163 L 4.0481 8.1313 116.2097 58.1906 42.0703 179.3945 164 Q 4.2314 8.2637 118.1860 58.8577 28.4978 178.4887 165 F 3.9365 8.7045 122.1053 61.6285 39.2304 177.4254 166 V 4.1185 7.6822 115.5765 65.2269 31.2488 177.0992 167 E 4.2151 8.4664 118.7159 59.9388 29.8684 177.1976 168 E 3.7076 8.2066 116.0696 59.1537 29.6241 177.3007 169 H 4.6890 7.0675 117.2226 54.9781 30.2965 176.1393 170 G 3.7683 8.4602 109.2614 47.0586 0.0000 173.7008 171 E 4.2241 8.1528 120.0510 56.2303 30.3008 175.2305 172 V 4.3889 8.0612 118.5959 61.1074 33.8893 174.9545 173 C 4.1234 8.1457 126.3575 56.6077 30.8802 173.3688 174 P 4.4365 0.0000 0.0000 61.7203 30.9508 177.0003 175 A 3.9894 8.2703 119.2090 53.8707 16.8290 177.4888 176 N 4.6591 8.4617 117.1819 53.8865 38.0085 174.8488 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 A 8.26 4.12 1.10 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 7 K 7.77 4.48 0.00 1.98 1.80 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.54 7.81 8 L 8.96 4.37 0.00 1.77 1.59 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.91 4.32 0.00 2.76 2.83 0.00 0.00 6.74 8.96 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 10 H 7.58 5.22 0.00 3.27 3.08 0.00 5.65 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.64 0.00 2.05 2.12 0.00 3.83 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 1.98 2.01 0.00 12 A 8.55 4.16 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 13 P 0.00 4.14 0.00 1.55 1.76 0.00 2.98 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.69 0.00 14 E 8.70 4.23 0.00 1.91 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 2.24 2.30 0.00 15 F 8.13 5.12 0.00 3.09 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 16 D 8.75 4.89 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 9.67 4.56 0.00 2.79 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 0.00 0.00 0.00 0.00 *19 A 9.19 4.35 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 20 L 8.54 4.78 0.00 1.86 1.76 1.14 1.11 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 *22 P 0.00 4.47 0.00 2.13 2.16 0.00 3.78 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 1.97 2.13 0.00 23 N 7.75 4.20 0.00 2.81 2.84 0.00 0.00 5.84 7.00 0.00 0.00 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 G 7.20 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.83 4.00 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 1.22 0.00 0.00 26 F 8.47 5.39 0.00 2.88 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 27 K 8.74 4.68 0.00 1.80 1.70 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.37 7.81 28 K 8.75 4.44 0.00 1.83 1.75 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.59 1.36 7.81 29 V 8.86 4.60 2.27 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 1.24 0.00 0.00 1.08 0.00 0.00 30 S 8.27 5.18 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.76 3.55 0.00 0.27 1.28 0.91 0.81 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 32 S 7.92 4.19 0.00 3.99 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 33 S 7.67 4.04 0.00 3.65 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 34 Y 7.97 4.61 0.00 3.16 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 35 K 7.82 4.06 0.00 1.82 1.79 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 36 G 7.02 3.59 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 0.00 0.00 0.00 37 K 8.25 4.83 0.00 1.83 2.06 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 38 Y 8.83 4.50 0.00 3.04 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 39 V 9.12 4.83 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.75 0.00 0.00 40 V 8.56 4.77 1.79 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 0.91 0.00 0.00 0.77 0.00 0.00 41 L 8.70 5.02 0.00 1.60 1.42 -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.28 5.51 0.00 3.02 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 43 F 9.98 5.21 0.00 3.08 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 44 Y 7.71 4.90 0.00 2.92 2.93 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 45 P 0.00 4.25 0.00 2.06 2.10 0.00 3.87 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 2.04 2.29 0.00 *47 D 7.86 3.54 0.00 2.07 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 6.61 3.98 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.15 3.95 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 1.13 0.00 0.00 50 F 8.46 5.06 0.00 3.05 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.71 4.06 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 0.81 0.00 0.00 1.00 0.00 0.00 52 C 8.58 4.30 0.00 3.06 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 53 P 0.00 4.71 0.00 1.97 1.90 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 54 T 8.02 3.80 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 1.26 0.00 0.00 55 E 8.25 3.93 0.00 2.18 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 2.69 2.61 0.00 56 I 7.95 4.08 1.90 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 1.56 0.68 0.83 0.00 0.00 57 I 8.03 3.70 2.00 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 1.39 0.72 0.90 0.00 0.00 58 Q 8.53 3.89 0.00 2.20 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 59 F 7.67 3.92 0.00 3.03 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 60 S 7.73 4.34 0.00 3.88 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 61 D 8.43 4.51 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 62 D 8.21 4.45 0.00 2.75 2.50 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 63 A 8.00 4.23 1.53 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 0.00 0.00 64 K 8.11 3.84 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.59 7.81 65 R 8.02 3.87 0.00 1.75 1.98 0.00 3.17 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.61 0.00 66 F 8.57 4.23 0.00 3.41 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 67 A 8.53 4.35 1.48 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 68 E 8.25 3.98 0.00 2.24 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 2.33 2.34 0.00 69 I 8.40 4.35 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 1.15 1.14 1.07 0.00 0.00 70 N 8.26 4.84 0.00 3.02 2.98 0.00 0.00 6.78 8.57 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 71 T 7.58 5.38 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 1.35 0.00 0.00 72 E 9.37 4.87 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.51 0.00 73 V 8.22 4.88 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 0.40 0.00 0.00 1.02 0.00 0.00 74 I 8.62 4.60 1.88 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 1.00 1.36 0.70 0.00 0.00 75 S 7.91 3.80 0.00 3.13 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 C 7.44 4.66 0.00 2.21 1.48 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 77 S 7.49 4.43 0.00 3.23 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 78 C 8.30 4.93 0.00 2.90 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 79 D 7.34 4.89 0.00 2.70 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 80 S 8.26 4.23 0.00 4.04 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 81 E 8.81 3.74 0.00 1.16 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 2.28 2.61 0.00 82 Y 8.31 4.29 0.00 3.07 3.22 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 83 S 7.74 4.55 0.00 4.07 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 84 H 8.58 4.76 0.00 3.62 3.48 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.23 4.05 0.00 2.09 2.03 0.84 0.45 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 86 Q 8.98 4.10 0.00 2.31 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.63 0.00 87 W 8.86 5.10 0.00 3.39 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 88 T 8.31 3.78 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 1.29 0.00 0.00 89 S 7.68 4.24 0.00 4.15 4.05 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 90 V 7.44 3.74 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 1.07 0.00 0.00 1.07 0.00 0.00 91 D 8.68 4.51 0.00 2.83 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 92 R 8.80 3.95 0.00 1.69 1.96 0.00 3.20 0.00 0.00 3.10 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0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.44 4.70 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.13 1.04 0.00 0.00 103 P 0.00 4.73 0.00 2.27 1.98 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 *105 L 8.29 4.23 0.00 1.47 1.37 0.10 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.35 4.72 1.02 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 0.00 0.00 107 D 8.39 4.69 0.00 2.67 2.78 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 0.00 108 K 8.41 3.97 0.00 1.72 1.87 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.35 7.81 109 T 7.81 3.92 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 110 K 8.32 4.19 0.00 2.05 1.96 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.35 7.81 111 A 7.53 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 3.78 2.12 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.85 0.98 0.00 0.00 113 A 8.18 3.93 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 0.00 114 R 8.07 3.84 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 115 A 7.81 3.92 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 0.00 116 Y 7.96 3.93 0.00 2.62 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 0.00 117 G 8.02 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 0.00 118 V 7.68 4.21 1.48 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 0.87 0.00 0.00 0.91 0.00 0.00 119 L 7.71 4.53 0.00 1.63 1.54 0.98 1.24 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 0.00 120 D 8.70 4.84 0.00 3.07 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 0.00 121 E 8.80 4.04 0.00 2.00 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 2.32 0.00 122 D 8.28 4.51 0.00 2.85 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 0.00 123 S 7.99 4.31 0.00 3.86 4.03 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 0.00 124 G 8.96 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 0.00 125 V 7.61 4.56 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 0.62 0.00 0.00 0.80 0.00 0.00 126 A 8.29 5.10 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.68 4.18 0.00 2.77 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.64 1.50 0.00 136 N 8.15 4.58 0.00 2.79 2.82 0.00 0.00 7.00 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 0.00 137 G 8.75 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.52 4.84 0.00 2.07 1.73 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.34 7.81 139 L 8.36 4.60 0.00 1.91 1.77 1.33 1.00 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 0.00 140 R 9.05 4.91 0.00 1.79 1.97 0.00 3.58 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 141 Q 7.89 4.61 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 142 I 8.49 4.66 1.89 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 1.67 0.94 0.91 0.00 0.00 143 I 7.61 4.46 1.89 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 1.20 0.40 0.91 0.00 0.00 144 I 8.25 4.91 1.80 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 1.21 0.49 0.86 0.00 0.00 145 N 9.43 4.85 0.00 2.87 2.92 0.00 0.00 6.28 7.96 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 0.00 146 D 8.81 4.90 0.00 2.77 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 0.00 0.00 0.00 *148 P 0.00 4.36 0.00 2.14 2.15 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 149 I 7.52 4.24 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.95 0.00 0.00 150 G 8.54 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 8.83 4.50 0.00 2.02 1.97 0.00 3.35 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 152 N 8.19 4.66 0.00 2.75 2.68 0.00 0.00 6.49 7.71 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 0.00 153 V 8.11 3.28 1.77 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 0.59 0.00 0.00 0.16 0.00 0.00 154 E 8.15 3.82 0.00 2.11 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 0.00 2.28 2.24 0.00 155 E 8.15 3.88 0.00 2.07 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 0.00 2.31 2.37 0.00 156 V 7.81 3.67 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 1.21 0.00 0.00 1.12 0.00 0.00 157 I 7.90 3.72 1.90 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.36 0.66 0.00 0.00 158 R 8.19 3.82 0.00 1.93 2.19 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 159 L 8.31 3.94 0.00 1.98 1.75 0.95 0.72 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 0.00 160 V 7.88 3.47 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 0.87 0.00 0.00 1.15 0.00 0.00 161 E 8.57 3.87 0.00 2.15 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 2.30 2.48 0.00 162 A 8.56 4.02 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 0.00 163 L 8.13 4.05 0.00 1.86 1.91 1.09 1.09 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 0.00 164 Q 8.26 4.23 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 165 F 8.70 3.94 0.00 3.09 3.22 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 0.00 166 V 7.68 4.12 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.11 0.00 0.00 167 E 8.47 4.22 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 2.39 2.43 0.00 168 E 8.21 3.71 0.00 1.57 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 2.22 2.18 0.00 169 H 7.07 4.69 0.00 3.05 3.16 0.00 5.65 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 0.00 170 G 8.46 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 0.00 0.00 0.00 171 E 8.15 4.22 0.00 2.05 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 0.00 2.40 2.44 0.00 172 V 8.06 4.39 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 0.85 0.00 0.00 0.96 0.00 0.00 173 C 8.15 4.12 0.00 2.56 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 0.00 174 P 0.00 4.44 0.00 2.17 1.99 0.00 3.60 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 1.90 1.90 0.00 175 A 8.27 3.99 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 0.00 176 N 8.46 4.66 0.00 2.82 3.00 0.00 0.00 7.03 7.56 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 * Residues marked with a * may have inaccurate shift predictions.