NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3781 8.3044 120.3699 55.6564 33.7434 175.4205 2 D 4.5992 7.8921 124.3134 52.7938 39.5650 174.3837 3 F 4.9721 9.0674 121.0719 57.0982 41.0906 174.8803 4 R 4.9350 9.2626 119.8746 54.6212 34.3921 174.2030 5 I 5.0163 8.4735 114.9171 59.2751 41.0360 174.4365 6 G 4.3630 9.0559 110.0212 44.5677 0.0000 171.3607 7 Q 5.2292 8.7434 118.4857 54.1412 31.7933 174.6979 8 G 4.4047 9.3734 107.9679 44.8708 0.0000 170.7269 9 Y 5.3856 8.5384 122.1361 55.9451 41.9930 173.5584 10 D 4.5827 8.3872 124.2619 52.9946 45.3848 174.0457 11 V 4.7785 7.6920 121.1698 60.6570 34.6676 173.6936 12 H 4.9982 8.8894 118.7723 53.9234 33.4303 172.9615 13 Q 4.6251 8.7184 120.2935 56.1759 30.0784 175.1321 14 L 4.9748 8.5689 123.7878 53.9397 42.6100 176.6096 15 V 4.6405 8.9945 117.0092 58.6238 35.1564 173.7245 16 P 4.4289 0.0000 0.0000 63.1180 32.6935 176.8306 17 G 4.0873 8.7419 107.9245 46.4503 0.0000 173.5189 18 R 4.8470 7.2984 118.0221 53.0092 33.6676 173.4418 19 P 4.4456 0.0000 0.0000 62.7828 33.2652 175.1760 20 L 4.5774 8.5352 124.4726 54.1349 42.8891 175.3283 21 I 4.8897 8.2396 127.9223 59.4931 39.3018 174.9827 22 I 4.7471 8.2619 126.3447 60.4756 40.0632 176.0945 23 G 4.0387 10.0726 113.5359 46.5754 0.0000 175.0217 24 G 3.8726 9.0566 107.4085 44.9336 0.0000 174.4016 25 V 4.0443 7.5706 120.9461 61.4740 32.1684 174.7972 26 T 4.6089 8.4654 124.7909 63.6306 68.9062 173.8829 27 I 4.4130 8.6206 128.0381 58.4610 39.5245 174.0244 28 P 4.4002 0.0000 0.0000 63.1778 30.2146 175.2767 29 Y 4.6614 8.1959 122.2740 56.7602 41.3044 174.4067 30 E 3.9552 7.9357 123.1117 58.2339 29.9898 176.3280 31 R 4.8869 6.8476 115.9698 54.3954 34.3755 174.2153 32 G 4.5164 8.8902 106.5244 44.0794 0.0000 171.4880 33 L 4.9647 7.9003 119.8999 53.9898 42.5079 176.7411 34 L 4.4201 8.5501 126.5393 54.0950 42.9000 175.9486 35 G 4.0069 8.4054 115.3195 45.8938 0.0000 173.6889 *36 H 4.3180 9.1421 116.9493 57.4586 28.4636 177.0105 37 S 4.5848 7.6693 116.6273 57.9277 63.9500 173.9187 38 D 4.4420 8.7766 120.5070 53.5234 39.4960 175.7160 39 A 3.4290 7.8064 121.5328 53.3917 16.6994 178.7626 40 D 4.6922 7.9067 122.1313 54.3310 40.7773 175.5435 41 V 3.8992 8.0260 129.0913 63.9774 31.4188 177.9390 42 L 3.8980 7.8312 120.3605 57.9045 41.9985 178.8112 43 L 4.0372 7.9299 118.6542 57.9464 41.4197 179.1694 44 H 4.2851 8.3292 116.0487 58.8212 28.6742 177.6283 45 A 4.0183 7.9711 122.4251 55.3389 18.2658 179.7784 46 I 3.6747 7.8271 118.2604 64.6791 37.0586 178.6664 47 T 3.7498 8.1798 116.8267 66.9032 68.3431 176.1983 48 D 4.5488 8.5088 120.6037 57.5519 40.8055 178.8806 49 A 4.1835 8.1402 121.1678 55.0240 18.3530 179.7853 50 L 3.8536 8.0102 117.5942 57.8994 41.6728 179.5543 51 F 4.4703 8.2928 118.1984 60.4724 38.8196 177.9822 52 G 3.5957 8.7071 105.5595 47.8426 0.0000 175.5949 53 A 4.1899 8.1829 123.5497 53.9701 18.4872 178.7815 54 A 3.0758 7.6342 115.7822 51.1210 19.2649 176.8704 55 A 3.7168 7.5695 119.5037 53.4910 16.6772 177.6621 56 L 4.6846 8.4363 116.0440 55.3042 43.3199 178.5962 57 G 3.9560 8.4596 110.0005 45.8733 0.0000 174.9854 58 D 4.8878 7.9581 125.0923 50.2108 42.6614 175.7957 59 I 3.7899 9.1123 119.0056 64.2841 37.5030 178.0142 60 G 3.5486 8.0032 105.3113 47.5398 0.0000 175.2672 61 R 3.9052 8.0726 120.3492 59.2197 30.0917 177.7364 62 H 4.0868 7.2379 114.3453 58.7542 29.4809 174.6800 63 F 5.2202 8.0087 119.7029 55.7742 41.4511 174.3157 *74 D 4.4245 8.3224 121.2315 54.3054 41.6022 176.4155 75 S 4.2169 8.6618 115.8053 61.3387 62.6984 177.3201 76 R 3.8881 8.0887 120.7283 58.8711 29.8206 178.5130 77 A 3.9427 8.4848 120.8808 55.1788 18.3426 179.7268 78 L 3.3268 7.5272 117.2995 57.5253 41.5581 179.5163 79 L 3.9542 8.1293 120.5667 58.1685 42.0207 179.2037 80 R 3.9007 8.3451 118.5011 59.2871 30.0129 178.6979 81 E 4.0362 8.4400 119.2716 59.1442 29.5396 178.2906 82 C 3.8853 8.6682 119.0894 62.4849 31.6157 175.2864 83 A 3.9011 8.0045 122.2546 55.2199 17.9046 179.4008 84 S 4.0543 8.0706 111.3833 61.9093 62.6584 176.8316 85 R 4.2313 8.2079 120.5162 59.0743 29.7657 179.2958 86 V 3.6993 8.1600 118.3885 65.8811 31.4370 178.0011 87 A 4.2687 8.0598 121.8984 54.8205 18.0315 179.3258 88 Q 3.9611 8.4905 115.6393 59.2479 28.9421 178.7748 89 A 4.3915 7.8714 118.4383 52.6647 18.8071 178.0819 90 G 3.7140 8.5111 106.8798 44.8082 0.0000 172.7579 91 F 5.0552 8.1443 117.7426 55.5079 41.6936 174.5705 92 A 4.8706 8.9350 123.9786 50.1803 21.6899 175.8605 93 I 4.1605 8.3484 122.5637 61.5938 37.5330 175.8672 94 R 4.5376 9.1387 127.1601 57.9964 31.0412 176.3867 95 N 5.1910 7.7573 113.8280 51.8614 40.8674 173.1264 96 V 4.8933 8.7991 119.4846 61.3189 35.2053 173.7728 97 D 5.4234 9.4439 126.1724 51.7796 44.8092 174.0146 98 S 5.1073 8.2028 115.6087 57.9581 66.5881 173.0730 99 T 4.9629 8.8784 116.6498 62.0098 72.7018 172.9702 100 I 4.6658 8.8572 126.8682 59.8009 39.8962 174.7602 101 I 4.8223 9.1145 128.4040 59.7226 38.6144 174.5387 102 A 4.7810 8.8216 129.2247 50.1411 21.7415 176.5709 103 Q 3.8593 9.0557 124.1497 58.7202 29.5415 176.0912 104 A 4.5784 7.3985 117.3395 50.1181 22.0754 173.8022 105 P 4.5827 0.0000 0.0000 60.7342 33.5194 175.1177 106 K 3.9271 8.4721 119.4770 57.1545 32.1441 176.4316 107 L 4.3892 8.4953 125.3548 55.3372 42.8375 178.3695 108 A 3.9696 8.2628 122.5847 54.8571 18.0561 177.5033 109 P 4.5143 0.0000 0.0000 64.4027 31.7479 176.8337 110 H 4.8071 8.2408 116.3126 56.2826 29.8823 176.4445 111 I 3.7273 7.3491 121.0779 64.3804 36.8916 177.8641 112 D 4.3305 8.1077 119.0253 57.3093 40.7186 178.5482 113 A 3.9836 7.9493 120.6760 55.3233 18.3818 179.1463 114 M 4.2399 7.9325 118.5562 57.9682 32.0202 178.9005 115 R 3.8340 8.1403 118.2947 59.3850 30.2672 178.2127 116 A 3.9667 8.0887 120.4182 55.2781 18.3553 179.1240 117 N 4.2428 8.5752 115.1886 56.7076 38.6085 177.6977 118 I 3.6611 7.9582 120.7376 64.3855 37.1900 178.3619 119 A 3.9544 8.2893 121.6105 54.9830 18.2565 179.5567 120 A 3.9033 8.0854 119.1526 55.6171 18.3299 179.6888 121 D 4.3666 8.0667 115.9437 56.9070 40.9099 178.0457 122 L 4.3565 7.9445 116.9484 53.1686 42.7729 175.9836 123 D 4.3495 7.5995 117.6791 55.6179 40.0793 173.0442 124 L 4.8926 8.0580 117.4023 51.9129 45.6596 175.6809 125 P 4.5024 0.0000 0.0000 62.3216 32.2465 177.3072 126 L 4.0043 8.5994 119.8589 58.0511 41.6148 178.8848 127 D 4.5939 8.0513 115.3888 54.7872 39.8573 176.5741 128 R 4.5968 8.1204 118.8677 55.9363 31.5701 175.3961 129 V 4.8203 7.7034 119.0708 61.0593 33.9652 174.3495 130 N 5.1190 9.2140 125.4441 51.8171 42.7157 172.9550 131 V 4.6344 8.3038 123.7095 59.9569 34.4685 174.4806 132 K 4.8942 8.8786 125.8297 54.6358 36.2241 174.8514 133 A 5.2212 8.3356 121.8095 50.5847 22.3736 175.6552 134 K 4.7622 9.1095 119.3271 54.9073 37.0884 176.4306 135 T 4.8740 8.3822 113.0624 60.0113 71.0303 173.6005 136 N 4.7659 8.6721 116.5736 53.2057 39.2552 174.1080 137 E 3.8758 8.7831 113.0371 57.2738 27.6635 175.3080 138 K 4.1163 8.0237 111.2016 56.2169 30.9684 175.5202 139 L 4.3908 8.0371 119.4092 54.1869 43.2444 178.6083 140 G 4.0527 8.4886 112.0030 45.0554 0.0000 173.1093 141 Y 4.3447 8.1447 115.8136 60.3254 37.6767 178.2949 142 L 4.1101 7.2360 120.3586 57.6102 41.4440 179.6532 143 G 3.6581 8.1555 105.3504 47.2328 0.0000 175.0486 144 R 4.4619 7.9558 117.9249 55.5909 30.4328 176.5498 145 G 3.9599 7.8230 106.8390 46.8504 0.0000 174.9501 146 E 4.3078 8.6794 121.5006 57.5562 30.1328 176.1694 147 G 4.6452 7.6934 103.5689 45.3736 0.0000 172.0982 148 I 4.9584 8.7110 119.4206 59.4785 41.2175 174.7041 149 E 5.0580 8.8681 126.6203 54.4567 32.5633 174.3491 150 A 5.2606 8.7681 125.6853 50.2959 22.9454 175.0114 151 Q 5.2851 9.1264 118.8521 54.2352 32.8798 174.6212 152 A 5.2023 9.1609 122.6326 50.4299 23.2955 174.8797 153 A 5.2672 9.3653 121.9607 50.0538 22.5368 175.1642 154 A 5.0896 8.9643 122.5277 50.0244 22.9027 174.5415 155 L 5.0670 8.8395 124.0820 53.5280 44.4034 175.7688 156 V 5.1873 8.8389 118.4904 59.5637 36.4675 174.6800 157 V 4.7030 8.6344 120.3829 59.8914 34.8867 175.6565 158 R 4.1549 8.3325 122.1911 55.9209 29.5003 175.9426 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 1 M 8.30 4.38 0.00 1.86 2.18 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 2 D 7.89 4.60 0.00 2.90 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.07 4.97 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.26 4.94 0.00 1.59 1.73 0.00 3.29 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 5 I 8.47 5.02 1.88 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 1.30 0.95 0.94 0.00 0.00 6 G 9.06 4.36 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 0.00 7 Q 8.74 5.23 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 8 G 9.37 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 0.00 0.00 0.00 0.00 9 Y 8.54 5.39 0.00 2.94 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 10 D 8.39 4.58 0.00 2.74 2.46 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 11 V 7.69 4.78 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 0.73 0.00 0.00 1.05 0.00 0.00 12 H 8.89 5.00 0.00 3.06 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.72 4.63 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 14 L 8.57 4.97 0.00 1.59 1.72 1.04 1.14 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 15 V 8.99 4.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 16 P 0.00 4.43 0.00 2.06 1.95 0.00 3.71 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 2.10 2.08 0.00 17 G 8.74 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 0.00 0.00 0.00 0.00 18 R 7.30 4.85 0.00 2.03 1.79 0.00 3.52 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 19 P 0.00 4.45 0.00 2.11 2.17 0.00 3.68 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 2.06 1.96 0.00 20 L 8.54 4.58 0.00 2.08 1.85 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.24 4.89 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.88 0.00 0.00 22 I 8.26 4.75 1.81 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 1.17 0.66 0.87 0.00 0.00 23 G 10.07 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 24 G 9.06 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 25 V 7.57 4.04 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 0.97 0.00 0.00 1.05 0.00 0.00 26 T 8.47 4.61 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 1.21 0.00 0.00 27 I 8.62 4.41 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.60 0.77 0.00 0.00 28 P 0.00 4.40 0.00 1.99 2.04 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 29 Y 8.20 4.66 0.00 2.90 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 30 E 7.94 3.96 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.01 0.00 31 R 6.85 4.89 0.00 1.81 2.00 0.00 3.34 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 0.00 32 G 8.89 4.52 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 0.00 33 L 7.90 4.96 0.00 1.44 1.56 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.55 4.42 0.00 1.64 1.71 0.93 1.27 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 35 G 8.41 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 0.00 0.00 0.00 *36 H 9.14 4.32 0.00 2.94 3.00 0.00 7.21 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.67 4.58 0.00 3.98 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 38 D 8.78 4.44 0.00 2.78 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 39 A 7.81 3.43 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 40 D 7.91 4.69 0.00 2.59 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 0.00 0.00 0.00 0.00 41 V 8.03 3.90 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 0.83 0.00 0.00 0.97 0.00 0.00 42 L 7.83 3.90 0.00 1.74 1.82 0.91 0.64 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 43 L 7.93 4.04 0.00 1.68 1.70 0.92 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.33 4.29 0.00 3.46 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.97 4.02 1.44 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 0.00 0.00 0.00 46 I 7.83 3.67 1.87 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 1.52 0.88 0.89 0.00 0.00 47 T 8.18 3.75 4.53 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 1.37 0.00 0.00 48 D 8.51 4.55 0.00 3.01 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 49 A 8.14 4.18 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 50 L 8.01 3.85 0.00 1.61 1.51 0.82 0.79 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 51 F 8.29 4.47 0.00 3.18 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 52 G 8.71 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.18 4.19 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 54 A 7.63 3.08 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 55 A 7.57 3.72 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 56 L 8.44 4.68 0.00 1.82 1.77 1.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.46 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 58 D 7.96 4.89 0.00 3.02 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 59 I 9.11 3.79 2.16 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 1.68 2.03 0.98 0.00 0.00 60 G 8.00 3.55 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 0.00 0.00 0.00 61 R 8.07 3.91 0.00 1.67 2.01 0.00 3.04 0.00 0.00 2.85 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.49 0.00 62 H 7.24 4.09 0.00 2.00 1.92 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.01 5.22 0.00 3.04 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 *74 D 8.32 4.42 0.00 3.09 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 75 S 8.66 4.22 0.00 3.91 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 76 R 8.09 3.89 0.00 1.96 2.03 0.00 3.11 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 77 A 8.48 3.94 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 78 L 7.53 3.33 0.00 1.63 1.21 0.76 0.04 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 79 L 8.13 3.95 0.00 1.83 1.79 0.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.35 3.90 0.00 2.00 1.96 0.00 3.15 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 81 E 8.44 4.04 0.00 2.18 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 0.00 2.70 2.84 0.00 82 C 8.67 3.89 0.00 2.90 2.98 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 0.00 83 A 8.00 3.90 1.35 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 0.00 0.00 84 S 8.07 4.05 0.00 3.96 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 85 R 8.21 4.23 0.00 2.21 2.15 0.00 3.44 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 86 V 8.16 3.70 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 1.06 0.00 0.00 0.87 0.00 0.00 87 A 8.06 4.27 1.43 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 0.00 0.00 0.00 88 Q 8.49 3.96 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 89 A 7.87 4.39 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.51 3.71 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 0.00 0.00 0.00 91 F 8.14 5.06 0.00 3.14 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 92 A 8.93 4.87 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 93 I 8.35 4.16 1.88 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 1.34 0.59 0.91 0.00 0.00 94 R 9.14 4.54 0.00 1.93 2.09 0.00 3.47 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.02 0.00 95 N 7.76 5.19 0.00 2.85 2.89 0.00 0.00 5.55 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 96 V 8.80 4.89 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 0.93 0.00 0.00 0.92 0.00 0.00 97 D 9.44 5.42 0.00 2.76 2.43 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 0.00 98 S 8.20 5.11 0.00 3.98 3.90 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 99 T 8.88 4.96 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 1.21 0.00 0.00 100 I 8.86 4.67 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.87 0.00 0.00 101 I 9.11 4.82 1.87 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 1.16 1.15 0.94 0.00 0.00 102 A 8.82 4.78 1.11 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 0.00 0.00 103 Q 9.06 3.86 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 104 A 7.40 4.58 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 0.00 105 P 0.00 4.58 0.00 2.16 2.07 0.00 3.37 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 106 K 8.47 3.93 0.00 1.73 1.80 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.53 7.81 107 L 8.50 4.39 0.00 1.73 1.67 0.87 0.90 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 0.00 108 A 8.26 3.97 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 0.00 109 P 0.00 4.51 0.00 1.98 2.09 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 110 H 8.24 4.81 0.00 3.31 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.35 3.73 1.87 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 1.52 0.74 0.94 0.00 0.00 112 D 8.11 4.33 0.00 2.67 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 0.00 113 A 7.95 3.98 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 M 7.93 4.24 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.57 0.00 115 R 8.14 3.83 0.00 1.95 2.13 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 116 A 8.09 3.97 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 0.00 117 N 8.58 4.24 0.00 2.95 2.88 0.00 0.00 7.10 7.41 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 0.00 118 I 7.96 3.66 1.86 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 1.44 0.70 0.90 0.00 0.00 119 A 8.29 3.95 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 0.00 120 A 8.09 3.90 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 0.00 121 D 8.07 4.37 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 0.00 122 L 7.94 4.36 0.00 1.64 1.67 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.60 4.35 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 4.89 0.00 1.59 1.51 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.50 0.00 2.39 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 126 L 8.60 4.00 0.00 1.73 1.78 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.05 4.59 0.00 2.79 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 0.00 128 R 8.12 4.60 0.00 1.93 2.09 0.00 3.08 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 129 V 7.70 4.82 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 0.79 0.00 0.00 0.93 0.00 0.00 130 N 9.21 5.12 0.00 2.83 2.78 0.00 0.00 6.23 7.26 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 0.00 131 V 8.30 4.63 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 1.10 0.00 0.00 0.92 0.00 0.00 132 K 8.88 4.89 0.00 1.81 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.48 7.81 133 A 8.34 5.22 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 0.00 134 K 9.11 4.76 0.00 1.60 1.63 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.38 4.87 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 1.20 0.00 0.00 136 N 8.67 4.77 0.00 2.75 2.72 0.00 0.00 7.07 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 E 8.78 3.88 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 2.25 2.39 0.00 138 K 8.02 4.12 0.00 1.91 1.87 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81 139 L 8.04 4.39 0.00 1.77 1.51 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.49 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 0.00 0.00 0.00 141 Y 8.14 4.34 0.00 3.25 3.26 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 0.00 142 L 7.24 4.11 0.00 1.53 1.70 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.16 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 0.00 0.00 0.00 144 R 7.96 4.46 0.00 1.87 2.02 0.00 3.30 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 145 G 7.82 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 0.00 146 E 8.68 4.31 0.00 2.37 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 2.34 2.31 0.00 147 G 7.69 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.71 4.96 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.92 0.93 0.00 0.00 149 E 8.87 5.06 0.00 2.13 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 150 A 8.77 5.26 1.17 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 0.00 0.00 151 Q 9.13 5.29 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 152 A 9.16 5.20 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 0.00 153 A 9.37 5.27 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 A 8.96 5.09 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 0.00 155 L 8.84 5.07 0.00 1.85 1.69 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.84 5.19 2.24 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 0.65 0.00 0.00 0.71 0.00 0.00 157 V 8.63 4.70 1.17 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 0.70 0.00 0.00 0.24 0.00 0.00 158 R 8.33 4.15 0.00 1.64 1.66 0.00 2.82 0.00 0.00 2.92 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.00 * Residues marked with a * may have inaccurate shift predictions.