NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2506 8.2644 123.5787 52.3141 19.2569 177.1250 6 Q 4.1215 9.2436 121.5731 55.0495 29.9138 172.2662 7 N 4.5967 7.9819 114.7483 55.0936 39.8818 174.0612 8 T 4.3460 7.4975 111.7729 61.2372 69.4046 172.9228 9 I 4.2899 7.8458 118.8117 60.2089 42.0528 173.1309 10 S 4.1456 8.1848 121.9083 57.4247 66.5681 173.1221 11 G 4.3948 7.0212 106.5802 44.6165 0.0000 172.9875 12 K 4.3142 9.0135 123.0828 56.5335 33.9792 176.5323 13 E 3.8382 7.5905 118.1490 53.0613 27.2594 176.7441 14 G 4.3596 9.5877 110.4971 44.6562 0.0000 170.7545 15 R 5.0753 8.7778 117.5397 54.1390 34.4051 174.5543 16 L 5.3981 7.9961 122.6652 54.1472 42.8159 175.6414 17 F 5.0405 9.7865 121.6366 55.7025 41.9996 174.3078 18 L 4.2949 9.3168 126.9098 53.4970 42.8192 175.1794 19 D 4.6140 9.8206 125.5976 55.1250 39.8245 173.4537 20 G 3.9382 8.3175 106.4127 44.9705 0.0000 174.5206 21 E 4.5099 8.4620 121.2232 54.5015 30.7302 175.8346 22 E 3.4815 8.3478 124.2180 55.3418 30.9639 175.2451 *24 A 3.8735 8.2094 121.3095 52.0867 19.8886 176.1112 25 H 4.9284 8.7073 120.9927 55.1165 28.2326 172.7953 26 I 3.8438 8.1635 122.4582 60.0771 38.7092 174.1777 27 K 4.6731 8.3279 135.0000 56.1994 34.3078 176.6743 28 T 4.0182 8.7714 112.0049 62.7782 68.3014 173.0239 29 F 5.4000 8.5527 121.0435 55.3924 42.3254 173.6145 30 E 4.2645 9.8797 121.7086 55.2971 32.2438 174.2973 31 A 4.9252 8.7012 131.1973 51.5397 22.6369 175.7120 32 N 4.8309 8.9218 112.9314 52.1762 41.7111 173.7163 33 V 3.6943 8.2600 115.8873 61.5948 32.3457 175.4407 34 E 3.9562 8.6096 127.4320 56.0940 30.1622 177.0554 35 K 4.3168 8.6925 128.9530 54.5760 31.1550 173.5064 36 N 4.9722 8.1009 121.2757 52.0602 42.1777 175.8490 37 K 3.5048 8.6357 123.9180 57.4840 30.7052 178.5927 38 S 4.3657 8.5208 112.3555 58.4960 60.3484 172.2838 39 E 4.6322 8.1630 121.8405 55.6855 31.2377 175.7693 40 V 3.0155 8.3734 120.8945 64.6487 31.2035 177.2770 41 N 4.8075 8.5789 122.4636 50.5784 39.4394 174.1172 42 I 3.7786 8.1917 120.6287 62.7411 37.5336 177.2509 *44 G 4.0798 8.3201 109.3368 45.3477 0.0000 174.5989 45 R 4.4798 7.1528 116.6686 53.4928 27.9633 176.8244 46 R 4.4581 7.5295 115.5014 58.5331 31.9982 175.0950 *48 T 4.0823 7.7413 110.8878 58.8605 67.3394 172.4442 49 G 4.3589 7.4067 113.2722 43.8241 0.0000 169.1048 50 H 4.6644 8.1822 120.9912 54.8464 30.5680 174.4614 51 K 4.4484 8.2118 124.3970 55.7571 35.3612 175.0430 52 T 3.9648 8.3111 112.5549 62.8019 67.5480 174.8088 53 T 4.4550 8.4892 120.7001 64.3681 69.0810 175.8108 54 G 3.9881 8.3119 117.6869 44.4635 0.0000 175.1959 55 A 4.5484 9.4143 125.4065 52.6443 16.5594 177.6212 56 N 4.3863 7.1083 115.5815 54.3699 38.8531 174.5229 57 G 4.0011 6.3951 105.1441 46.4687 0.0000 171.9275 58 T 4.6171 7.2120 114.4375 61.9873 72.5217 173.7104 59 G 4.0819 7.7020 106.2952 47.1781 0.0000 172.1704 60 T 4.9073 7.7532 112.4445 61.4867 71.3497 173.2885 61 A 5.1605 8.9567 125.1467 51.5232 23.4321 175.2282 62 T 5.2727 8.4774 109.7305 59.0552 71.5098 173.7961 63 F 4.1507 9.1634 123.2920 57.6776 39.8424 174.3102 64 Y 4.6791 8.5948 122.4318 58.6501 38.4109 175.3692 65 K 4.2196 7.4840 118.0220 54.4930 35.5761 175.7336 66 V 4.1860 7.8021 118.8913 60.6078 33.4246 175.5805 67 T 4.0457 8.3980 122.4772 61.6335 68.4625 174.3069 68 S 4.0835 8.8466 125.0557 62.0147 62.8661 176.6423 69 K 3.8496 8.1895 120.2090 59.7644 31.5717 178.3433 70 F 4.5096 7.6314 118.9361 61.8824 39.3587 176.7368 71 V 3.3022 7.4962 115.8971 66.1643 31.2676 176.9761 72 L 4.0895 8.0443 119.8302 57.6305 43.1165 178.3029 73 L 4.1583 8.2918 122.4520 55.6567 38.5218 176.4779 *76 D 4.5160 8.0278 122.0513 53.8672 43.7319 177.8770 77 Y 4.1054 7.8065 117.1408 60.9406 38.0327 178.3018 78 V 3.7708 7.8684 119.2801 64.5110 31.2213 177.9479 79 K 3.9618 8.0527 118.7259 59.3330 32.0886 178.5152 80 K 4.2030 7.7747 115.7952 56.7643 33.1818 176.6702 81 G 4.0417 8.1537 107.9555 46.9572 0.0000 173.6593 82 S 4.6734 8.2889 111.6573 56.5919 67.3541 173.9774 83 D 4.7550 8.3481 122.6433 51.7430 42.2423 174.9379 84 P 3.8960 0.0000 0.0000 62.3801 32.1147 175.1258 85 Y 4.9667 7.8269 116.9845 56.8240 39.2505 175.5655 86 F 4.9383 9.4314 123.6184 56.5309 42.2547 175.3289 87 T 4.7083 8.6963 116.9309 61.9409 71.0055 173.6116 88 L 4.6729 8.1781 129.4507 54.1238 43.3559 175.3920 89 Q 4.9083 9.5797 129.9590 54.7653 30.4307 173.8097 90 A 5.2272 8.6255 130.1248 50.0179 23.0537 173.9624 91 V 4.5220 7.7788 116.4035 60.9433 33.2428 175.7685 92 L 4.2534 8.7344 131.2180 54.8015 42.5944 176.8839 93 D 4.8924 8.0053 124.2564 52.4814 39.3707 176.5205 94 D 4.5080 7.8117 119.5735 54.2376 41.7124 176.2626 95 Q 3.9640 8.6038 128.7206 58.7623 29.4801 176.7714 96 S 4.0559 7.9787 111.8632 59.5764 62.5867 173.8588 97 S 3.6830 7.9660 113.5914 58.3960 60.9012 173.7358 98 G 3.8332 8.2569 108.4971 48.1940 0.0000 173.3761 99 R 4.5799 7.0066 116.5050 55.5813 34.8100 176.6746 100 G 3.9422 7.6406 112.8891 45.9149 0.0000 176.3509 101 T 4.4343 9.1016 123.0915 62.1475 71.6427 172.4085 102 E 5.5328 8.4672 124.9963 53.3776 33.7548 175.3322 103 R 4.6054 8.5010 121.4202 56.1447 31.8317 175.1889 104 V 5.0748 8.9511 124.7668 61.2833 34.7133 174.3403 105 T 4.8788 8.7149 117.4426 59.9779 72.3804 173.0928 106 L 4.3895 8.2284 123.1649 52.2635 43.0056 174.5741 107 Y 4.4234 8.1856 121.0101 58.8553 39.4027 176.2736 108 D 4.5685 9.0627 122.1058 55.0739 38.8714 173.9704 109 V 4.1906 7.5767 117.3263 62.2218 33.1783 175.0793 110 N 5.2620 8.7333 121.2641 53.0064 42.0674 173.6600 111 F 5.3067 8.9129 125.1293 55.9188 42.0788 174.5682 112 D 4.9475 8.8098 119.1122 53.8607 41.1573 176.0426 113 S 3.9836 9.5284 123.3565 61.9473 62.7449 176.5127 114 A 3.9246 7.9499 122.1972 55.7386 18.1090 179.4902 115 K 3.7855 7.7166 115.0691 59.9837 32.3213 179.2076 116 I 3.6299 8.2270 119.8125 63.9453 36.5853 178.0272 117 A 3.8297 7.7687 121.1696 55.1924 17.9618 178.9041 118 S 4.2384 8.0114 108.3202 59.6423 62.3993 175.4050 119 L 4.1754 7.7307 120.5041 57.0401 42.2061 176.9135 120 D 4.4446 7.4550 118.1446 52.6342 41.6189 173.1152 *127 E 4.2211 7.7376 118.0743 56.5186 31.0909 175.7940 128 E 4.2219 8.4501 116.8314 58.6471 29.9899 175.9993 129 E 4.7100 8.1158 117.5115 56.1579 29.2688 176.2219 130 V 4.4055 9.0252 125.6883 61.1390 33.5372 173.6646 131 P 5.2836 0.0000 0.0000 62.4715 32.8500 174.9291 132 F 4.9705 7.7785 113.8934 56.7761 41.5262 173.3784 133 T 4.7104 8.8180 110.3025 59.6127 69.9701 173.6173 134 F 5.0242 9.2487 123.4095 57.0651 39.0824 175.3874 135 E 4.5968 9.0318 117.7081 56.0433 31.3489 175.2776 136 D 5.1464 8.1222 116.6558 54.1536 44.5484 174.4578 137 F 5.2990 8.7678 119.5084 55.2541 41.2062 173.4056 138 D 3.6867 7.8661 114.5657 53.1638 44.8351 175.3076 139 V 5.4163 8.2420 121.0706 59.2258 31.4533 173.1640 140 P 4.3487 0.0000 0.0000 65.2543 31.6870 176.7864 141 E 4.8930 7.7539 115.4638 53.2846 34.1803 177.7592 142 K 4.5573 8.0736 124.1026 55.5021 30.4331 177.3137 143 L 4.1635 8.7213 131.3113 56.8592 42.1949 172.5913 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 A 8.26 4.25 1.16 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 0.00 0.00 6 Q 9.24 4.12 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.72 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 7 N 7.98 4.60 0.00 2.71 2.76 0.00 0.00 7.01 7.70 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 8 T 7.50 4.35 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 1.19 0.00 0.00 9 I 7.85 4.29 1.58 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.04 0.74 0.00 0.00 10 S 8.18 4.15 0.00 3.67 3.64 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 11 G 7.02 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 0.00 0.00 0.00 0.00 12 K 9.01 4.31 0.00 1.64 1.77 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.55 7.81 13 E 7.59 3.84 0.00 1.88 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 2.25 2.33 0.00 14 G 9.59 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 15 R 8.78 5.08 0.00 1.97 1.50 0.00 3.12 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 16 L 8.00 5.40 0.00 1.84 1.61 0.92 0.67 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 17 F 9.79 5.04 0.00 2.94 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 18 L 9.32 4.29 0.00 1.91 1.71 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.82 4.61 0.00 2.82 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 20 G 8.32 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 21 E 8.46 4.51 0.00 2.11 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 2.30 2.28 0.00 22 E 8.35 3.48 0.00 1.59 1.64 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 1.76 1.47 0.00 *24 A 8.21 3.87 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 25 H 8.71 4.93 0.00 3.45 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.16 3.84 1.28 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.25 0.76 0.00 0.00 27 K 8.33 4.67 0.00 1.84 1.59 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.69 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.42 7.81 28 T 8.77 4.02 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 29 F 8.55 5.40 0.00 3.30 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 30 E 9.88 4.26 0.00 1.80 1.74 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 2.10 2.19 0.00 31 A 8.70 4.93 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.92 4.83 0.00 2.87 2.72 0.00 0.00 7.45 7.09 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 33 V 8.26 3.69 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 0.65 0.00 0.00 0.89 0.00 0.00 34 E 8.61 3.96 0.00 1.96 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 2.30 2.23 0.00 35 K 8.69 4.32 0.00 1.91 1.72 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.41 7.81 36 N 8.10 4.97 0.00 2.85 2.64 0.00 0.00 7.36 6.68 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 37 K 8.64 3.50 0.00 1.92 1.64 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.40 7.81 38 S 8.52 4.37 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 39 E 8.16 4.63 0.00 1.87 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 2.13 2.28 0.00 40 V 8.37 3.02 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 0.75 0.00 0.00 0.94 0.00 0.00 41 N 8.58 4.81 0.00 2.75 2.73 0.00 0.00 6.90 7.82 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 42 I 8.19 3.78 1.93 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 1.38 0.68 1.00 0.00 0.00 *44 G 8.32 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 45 R 7.15 4.48 0.00 2.02 1.99 0.00 3.11 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 46 R 7.53 4.46 0.00 1.97 2.04 0.00 3.21 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.94 0.00 *48 T 7.74 4.08 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 1.31 0.00 0.00 49 G 7.41 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 50 H 8.18 4.66 0.00 3.07 3.21 0.00 5.76 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 51 K 8.21 4.45 0.00 1.85 1.91 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.45 7.81 52 T 8.31 3.96 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 1.29 0.00 0.00 53 T 8.49 4.46 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 1.30 0.00 0.00 54 G 8.31 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 9.41 4.55 1.74 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 0.00 0.00 56 N 7.11 4.39 0.00 2.67 2.91 0.00 0.00 6.71 6.88 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 57 G 6.40 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.21 4.62 4.16 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 1.14 0.00 0.00 59 G 7.70 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 60 T 7.75 4.91 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 1.24 0.00 0.00 61 A 8.96 5.16 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 62 T 8.48 5.27 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 63 F 9.16 4.15 0.00 2.90 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 64 Y 8.59 4.68 0.00 2.94 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 65 K 7.48 4.22 0.00 1.43 0.74 0.00 1.35 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.85 1.13 7.81 66 V 7.80 4.19 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 0.81 0.00 0.00 0.85 0.00 0.00 67 T 8.40 4.05 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 68 S 8.85 4.08 0.00 3.89 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 69 K 8.19 3.85 0.00 1.85 1.94 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.55 7.81 70 F 7.63 4.51 0.00 2.87 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 71 V 7.50 3.30 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 0.73 0.00 0.00 0.99 0.00 0.00 72 L 8.04 4.09 0.00 1.61 1.94 0.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.29 4.16 0.00 1.87 1.78 1.24 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 *76 D 8.03 4.52 0.00 2.88 2.54 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 77 Y 7.81 4.11 0.00 3.01 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 78 V 7.87 3.77 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 0.87 0.00 0.00 0.95 0.00 0.00 79 K 8.05 3.96 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.48 7.81 80 K 7.77 4.20 0.00 1.90 1.89 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.70 1.54 7.81 81 G 8.15 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 82 S 8.29 4.67 0.00 3.92 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 83 D 8.35 4.76 0.00 2.56 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 84 P 0.00 3.90 0.00 1.21 0.49 0.00 3.55 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.15 0.00 85 Y 7.83 4.97 0.00 2.84 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 86 F 9.43 4.94 0.00 3.09 3.15 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 87 T 8.70 4.71 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 1.31 0.00 0.00 88 L 8.18 4.67 0.00 1.47 1.12 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 9.58 4.91 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.27 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 90 A 8.63 5.23 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 91 V 7.78 4.52 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 0.93 0.00 0.00 0.94 0.00 0.00 92 L 8.73 4.25 0.00 1.79 1.63 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.01 4.89 0.00 2.75 2.68 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 0.00 0.00 0.00 0.00 94 D 7.81 4.51 0.00 2.67 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 95 Q 8.60 3.96 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 96 S 7.98 4.06 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.97 3.68 0.00 4.08 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 98 G 8.26 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.01 4.58 0.00 1.72 1.81 0.00 3.26 0.00 0.00 3.24 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 100 G 7.64 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 0.00 101 T 9.10 4.43 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 102 E 8.47 5.53 0.00 1.94 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 2.33 2.17 0.00 103 R 8.50 4.61 0.00 1.91 1.77 0.00 3.03 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 104 V 8.95 5.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.03 0.00 0.00 105 T 8.71 4.88 4.18 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 1.17 0.00 0.00 106 L 8.23 4.39 0.00 1.25 1.45 0.23 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.19 4.42 0.00 3.04 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 0.00 108 D 9.06 4.57 0.00 2.80 2.31 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 0.00 109 V 7.58 4.19 1.56 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 0.69 0.00 0.00 0.14 0.00 0.00 110 N 8.73 5.26 0.00 3.25 2.93 0.00 0.00 7.04 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 0.00 111 F 8.91 5.31 0.00 3.00 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 0.00 112 D 8.81 4.95 0.00 2.85 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 0.00 113 S 9.53 3.98 0.00 3.90 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 0.00 114 A 7.95 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 0.00 115 K 7.72 3.79 0.00 2.01 1.95 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.23 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.54 7.81 116 I 8.23 3.63 1.64 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 1.01 0.85 0.34 0.00 0.00 117 A 7.77 3.83 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 0.00 118 S 8.01 4.24 0.00 3.82 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 0.00 119 L 7.73 4.18 0.00 1.60 1.58 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 120 D 7.45 4.44 0.00 2.54 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 *127 E 7.74 4.22 0.00 2.06 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 2.23 2.36 0.00 128 E 8.45 4.22 0.00 2.10 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 2.41 2.36 0.00 129 E 8.12 4.71 0.00 1.92 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 2.38 2.36 0.00 130 V 9.03 4.41 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 1.15 0.00 0.00 1.14 0.00 0.00 131 P 0.00 5.28 0.00 2.08 1.99 0.00 3.93 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 132 F 7.78 4.97 0.00 2.43 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 0.00 133 T 8.82 4.71 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 1.20 0.00 0.00 134 F 9.25 5.02 0.00 3.39 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 9.03 4.60 0.00 1.86 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 2.12 2.21 0.00 136 D 8.12 5.15 0.00 2.83 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 0.00 137 F 8.77 5.30 0.00 2.79 2.96 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 0.00 138 D 7.87 3.69 0.00 2.19 2.05 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 0.00 139 V 8.24 5.42 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 0.70 0.00 0.00 1.09 0.00 0.00 140 P 0.00 4.35 0.00 2.20 2.19 0.00 3.98 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 141 E 7.75 4.89 0.00 2.11 2.05 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 2.22 2.27 0.00 142 K 8.07 4.56 0.00 1.84 0.96 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.42 7.81 143 L 8.72 4.16 0.00 1.87 1.45 0.92 0.79 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 * Residues marked with a * may have inaccurate shift predictions.