NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3020 8.1693 120.6395 53.4897 43.1407 175.9950 8 P 4.2053 0.0000 0.0000 61.7199 31.4350 173.1661 9 P 4.2271 0.0000 0.0000 64.6091 32.3598 178.3254 10 G 3.5845 9.2024 112.0564 44.4216 0.0000 171.8692 11 W 5.4120 7.5626 120.4099 55.2764 30.3095 175.6973 12 E 4.9736 9.5242 122.5532 54.3423 32.7510 174.8546 13 K 4.4708 8.6912 121.9470 55.9884 33.8596 175.2809 14 A 4.5457 8.2373 126.6794 50.7154 23.2784 173.9310 15 M 5.1277 8.1989 116.3670 53.7765 35.3333 175.2399 16 S 4.3724 9.4154 121.6993 58.4082 63.0860 175.2301 17 R 4.0332 8.8961 126.6538 59.5348 30.2773 178.3288 18 S 4.3747 8.2277 113.1092 60.7826 63.0412 175.1495 19 S 4.5215 8.1537 111.4635 57.0315 64.3826 175.2255 20 G 4.0291 8.4971 108.5645 44.9040 0.0000 173.6857 21 R 4.3803 7.6977 118.8224 55.6950 31.4918 176.7208 22 V 4.5226 8.4471 115.6007 62.2435 32.6964 174.4677 23 Y 5.0338 8.2953 119.6142 56.6296 41.9585 172.7200 24 Y 5.1262 9.7594 117.2502 56.1516 41.3037 174.9241 25 F 5.4973 9.5010 124.7808 56.4676 43.2502 173.0446 26 N 4.4415 7.8486 124.7258 51.5853 39.9627 174.4467 27 H 4.2728 8.6611 122.5427 56.9302 28.6699 176.3793 28 I 4.0240 7.8274 120.4229 62.6534 37.8535 176.5630 29 T 4.1632 7.3532 108.0036 60.4589 69.7100 174.9650 30 N 4.1603 8.2370 118.6862 53.7453 37.1504 173.4819 31 A 4.3655 7.3096 121.0617 52.0136 19.5128 177.5278 32 S 5.6678 8.6069 114.9536 57.0274 66.4424 173.0308 33 Q 4.5464 9.3847 118.7907 55.2739 31.7444 175.6607 34 W 4.5799 8.8532 120.2497 59.9078 29.5377 177.5926 35 E 4.2156 8.1480 116.0709 55.7665 29.5535 176.6921 36 R 2.5100 8.0491 122.5836 54.6249 30.6672 174.6564 37 P 3.6705 0.0000 0.0000 64.2515 32.3375 176.5387 38 S 3.1836 7.8086 116.7877 59.0969 64.1876 173.8016 *51 E 4.1298 8.6146 116.9946 54.6339 29.9459 173.1605 52 P 4.4028 0.0000 0.0000 62.6713 31.9438 176.4624 53 A 4.2471 8.6443 123.6734 54.8216 18.6929 178.0484 54 R 5.0227 7.6858 112.4105 54.7701 34.2020 175.2462 55 V 4.3464 7.7768 114.2981 59.4088 36.6479 174.1896 56 R 4.7602 8.3261 121.7819 54.8181 32.8708 174.2245 57 C 5.3361 8.5685 122.1208 58.3296 32.7809 173.4753 58 S 5.5470 9.0974 118.3076 57.7352 65.5615 172.5493 59 H 5.5271 9.1086 115.9296 54.6803 32.1488 172.5941 60 L 4.6098 9.1827 120.9309 53.2703 44.7844 174.5735 61 L 5.0368 8.7513 129.0201 53.3290 44.5590 174.9683 62 V 4.5372 8.8637 126.5930 61.0825 33.4080 175.0350 63 K 4.6197 8.7270 127.9190 56.2989 33.3975 175.8333 64 H 5.0718 8.9399 117.6604 53.4817 31.8747 174.3559 65 S 4.4541 9.0594 114.2691 61.3044 62.4863 175.3159 66 Q 4.4581 8.1600 117.1976 55.4809 28.8199 175.8132 67 S 4.2973 8.0688 115.7635 58.4386 63.4165 174.5142 68 R 4.0290 8.8937 121.7366 58.9336 28.9564 176.8097 69 R 4.4509 7.4644 118.1539 53.0516 30.6383 173.6370 70 P 4.6302 0.0000 0.0000 60.9530 30.3288 176.7083 71 S 4.8484 7.3703 110.4576 58.1676 65.8563 172.5298 72 S 4.6775 8.6464 119.9283 56.3934 65.9107 175.0418 73 W 4.3452 8.7309 117.4802 59.1757 27.7312 177.5045 74 R 3.4380 6.7008 116.9470 57.8511 29.6028 176.6091 75 Q 4.2392 7.7118 117.8970 54.9989 31.7979 173.8156 76 E 3.8810 9.1685 127.4138 58.4423 29.7166 176.6742 77 K 4.5115 7.7395 118.9578 54.3134 33.9286 175.0449 78 I 4.3104 9.0058 128.5274 60.3951 37.1508 175.9103 79 T 4.4855 8.2930 114.9863 61.1587 70.7351 174.9286 80 R 4.1071 7.8567 119.4549 56.7421 30.0005 176.0813 81 T 4.5210 9.0211 111.0252 60.7364 71.3968 175.6610 82 K 3.6555 8.5595 122.4124 60.1530 31.9727 178.7062 83 E 4.0094 8.0794 118.0272 59.2413 29.4339 179.0137 84 E 3.9208 8.0762 118.4670 59.0748 29.5553 178.8961 85 A 3.9258 8.0623 120.9140 55.2300 18.4306 179.4581 86 L 3.8384 8.1108 118.7276 58.3869 42.2851 178.9043 87 E 3.9058 8.1281 118.5076 59.3123 29.3462 179.4923 88 L 3.4820 7.7308 118.8351 57.6386 41.6753 179.1521 89 I 3.6952 7.4084 119.6966 64.8695 37.1096 177.9817 90 N 4.4394 8.2285 116.9089 56.4490 38.3652 177.7868 91 G 3.5196 7.8176 106.7697 47.8331 0.0000 175.4941 92 Y 4.4601 7.6587 119.0454 60.9899 37.8863 178.2158 93 I 3.8164 8.3803 121.3174 64.5011 37.1615 178.5406 94 Q 4.0556 8.1159 118.9967 58.9064 28.4175 178.8845 95 K 4.0881 8.2487 119.6102 59.4037 32.2152 179.5678 96 I 4.2642 8.0488 121.6824 64.0198 36.8662 178.7201 97 K 4.1739 8.1661 118.3003 58.8795 31.9864 178.8253 98 S 4.4580 8.2276 112.7118 58.5169 63.5090 175.4386 99 G 4.0309 7.9034 110.1745 45.6216 0.0000 174.4235 100 E 4.1543 7.9376 118.9388 58.8424 29.7698 177.3934 101 E 4.7757 8.1295 116.7609 54.3904 33.5092 174.7257 102 D 5.0546 8.2646 120.8029 51.6595 42.0610 177.0794 103 F 3.9349 9.0209 121.5942 61.8912 39.1981 177.2390 104 E 4.1426 8.3877 117.3608 59.3338 29.2678 179.2120 105 S 4.0417 8.1326 113.2411 61.1953 62.4454 176.1264 106 L 3.8391 7.7280 120.9929 57.6032 41.3364 179.1758 107 A 3.7291 8.0229 121.0418 55.1603 18.0184 179.9385 108 S 4.1965 7.5445 112.6145 61.8002 62.9628 176.6027 109 Q 3.9742 7.5025 119.5746 57.6924 28.5520 176.9059 110 F 5.0016 7.7679 114.8564 56.8628 40.7849 175.4113 111 S 4.5048 7.9739 116.5577 58.3100 62.6247 173.1699 112 D 4.5359 9.2196 127.2281 54.4514 40.8070 175.6301 113 C 4.9129 7.7959 120.1136 57.5812 33.8977 174.6237 114 S 4.4003 8.6044 119.5601 60.3181 62.8237 176.0887 115 S 4.2868 8.1554 117.5555 60.1120 62.8953 175.4077 116 A 3.9517 8.0333 125.5280 55.7200 17.8297 179.6156 117 K 3.8621 7.6546 114.4245 57.9360 32.4576 177.5173 118 A 4.6284 7.6540 122.5848 52.0048 19.5971 177.1445 119 R 3.6626 8.8822 115.0219 58.5430 28.5389 178.1548 120 G 4.1227 8.4700 107.5386 45.1307 0.0000 173.6433 121 D 4.8774 7.7475 119.4865 53.7725 41.5283 175.7509 122 L 4.4519 8.8380 125.3880 54.0532 42.5838 177.3086 123 G 3.9174 8.7529 106.1772 44.5805 0.0000 172.2538 124 A 4.8187 8.0861 120.0002 51.5591 19.9340 176.7305 125 F 5.0779 8.3878 114.0428 56.0357 42.3068 173.2758 126 S 5.8268 8.9341 114.0331 56.5463 66.4502 173.3708 127 R 4.2443 8.5027 118.3397 57.8318 30.1894 177.0356 128 G 4.1169 8.7612 109.2904 45.5693 0.0000 174.5498 129 Q 4.3305 7.6700 116.1226 57.3966 30.0011 176.0728 130 M 4.2786 7.5811 115.2401 53.4829 33.9136 176.2047 131 Q 4.0736 8.2118 118.6103 56.2134 30.4788 177.8528 132 K 3.9626 8.7910 124.5954 59.5381 32.2055 177.3797 133 P 4.4876 0.0000 0.0000 65.2439 31.3055 178.4290 134 F 3.9736 8.2060 119.4184 61.0067 39.3569 176.6734 135 E 4.2778 8.8459 119.4446 59.6619 29.6544 178.5569 136 D 4.4120 8.7448 119.1007 57.2947 40.8333 178.7340 137 A 3.9245 7.8580 120.9145 55.2162 18.1539 179.9260 138 S 3.9565 7.8309 112.6064 61.7483 63.0559 176.6383 139 F 4.1372 8.5183 118.5922 59.4882 38.8198 177.1818 140 A 4.2307 7.6861 119.3539 53.2118 18.7673 177.9311 141 L 4.2579 7.0957 116.7788 54.7115 42.5416 177.1138 142 R 4.3527 8.5521 120.5895 55.0122 31.3064 176.4151 143 T 3.9916 8.1525 116.2249 65.5800 68.5652 174.9357 144 G 3.9562 9.3383 115.8822 44.9264 0.0000 173.2702 145 E 4.5130 7.9601 119.2597 55.6676 31.4020 175.0182 146 M 5.2373 8.4056 121.5509 53.7660 34.9749 175.4984 147 S 4.4044 8.7887 120.7616 57.8802 65.0068 173.3823 148 G 4.2858 8.5692 107.4600 43.8209 0.0000 171.1691 149 P 4.5789 0.0000 0.0000 63.1852 31.8068 175.9315 150 V 4.4889 8.8441 124.6131 61.0092 34.1386 173.9006 151 F 5.3091 9.1959 126.8543 56.4294 40.4423 175.2326 152 T 4.8481 8.9185 112.6078 59.9904 72.1389 174.1871 153 D 4.4946 8.6630 119.5624 57.1775 40.9134 179.1237 154 S 4.3864 7.9065 114.9315 60.0144 64.1192 174.0697 155 G 3.9176 6.3292 109.8881 44.8341 0.0000 172.5745 156 I 4.8048 8.9162 125.9317 59.6513 40.2330 174.3823 157 H 5.5629 9.2304 123.4110 54.1110 32.4141 173.0356 158 I 4.8782 8.6180 121.5588 59.6495 40.1997 174.5612 159 I 4.9650 8.9837 127.7712 59.3163 40.3227 174.1572 160 L 4.6801 8.9501 129.3367 53.0601 44.3638 175.0157 161 R 4.6961 8.5831 128.2225 56.0424 30.4858 176.4844 162 T 4.3686 8.7912 117.3311 62.2020 70.4816 174.9053 163 E 4.1675 7.6464 127.0938 56.9223 30.5659 174.6588 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 7 L 8.17 4.30 0.00 1.79 1.73 1.22 0.60 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 8 P 0.00 4.21 0.00 2.49 2.26 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 9 P 0.00 4.23 0.00 2.08 2.07 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 10 G 9.20 3.58 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 0.00 0.00 0.00 11 W 7.56 5.41 0.00 3.37 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 12 E 9.52 4.97 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 13 K 8.69 4.47 0.00 1.64 1.71 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.24 1.15 7.81 14 A 8.24 4.55 0.40 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 15 M 8.20 5.13 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 16 S 9.42 4.37 0.00 4.30 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.90 4.03 0.00 1.86 2.00 0.00 3.43 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 18 S 8.23 4.37 0.00 3.93 3.98 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 19 S 8.15 4.52 0.00 3.88 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 20 G 8.50 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 0.00 0.00 0.00 21 R 7.70 4.38 0.00 1.78 2.02 0.00 2.87 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 22 V 8.45 4.52 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.95 0.00 0.00 23 Y 8.30 5.03 0.00 2.98 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 24 Y 9.76 5.13 0.00 2.85 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 9.50 5.50 0.00 3.15 2.94 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 26 N 7.85 4.44 0.00 1.44 1.45 0.00 0.00 6.78 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 27 H 8.66 4.27 0.00 3.24 3.66 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.83 4.02 1.73 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 1.25 0.25 0.87 0.00 0.00 29 T 7.35 4.16 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 1.05 0.00 0.00 30 N 8.24 4.16 0.00 2.98 3.06 0.00 0.00 6.73 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 31 A 7.31 4.37 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 32 S 8.61 5.67 0.00 3.99 4.28 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 33 Q 9.38 4.55 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 34 W 8.85 4.58 0.00 3.40 3.35 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 35 E 8.15 4.22 0.00 1.87 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 2.34 2.42 0.00 36 R 8.05 2.51 0.00 1.28 1.52 0.00 3.13 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 0.00 37 P 0.00 3.67 0.00 1.23 0.49 0.00 2.62 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.00 38 S 7.81 3.18 0.00 4.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 E 8.61 4.13 0.00 2.02 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 2.29 2.49 0.00 52 P 0.00 4.40 0.00 2.45 2.04 0.00 3.92 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 53 A 8.64 4.25 1.34 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 0.00 0.00 54 R 7.69 5.02 0.00 1.61 1.69 0.00 3.17 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 55 V 7.78 4.35 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 56 R 8.33 4.76 0.00 1.73 1.61 0.00 3.00 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 57 C 8.57 5.34 0.00 3.19 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 58 S 9.10 5.55 0.00 3.75 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 59 H 9.11 5.53 0.00 3.61 3.63 0.00 5.52 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.18 4.61 0.00 1.40 1.55 0.58 0.53 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 61 L 8.75 5.04 0.00 1.71 1.43 0.72 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.86 4.54 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 0.80 0.00 0.00 1.08 0.00 0.00 63 K 8.73 4.62 0.00 1.67 1.65 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.70 1.34 7.81 64 H 8.94 5.07 0.00 3.35 3.40 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.06 4.45 0.00 3.96 4.33 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 66 Q 8.16 4.46 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 67 S 8.07 4.30 0.00 3.77 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 68 R 8.89 4.03 0.00 1.86 2.19 0.00 3.00 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 69 R 7.46 4.45 0.00 1.73 1.83 0.00 3.24 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 70 P 0.00 4.63 0.00 2.24 2.21 0.00 3.76 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 71 S 7.37 4.85 0.00 3.79 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 72 S 8.65 4.68 0.00 3.94 3.80 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 0.00 0.00 0.00 73 W 8.73 4.35 0.00 3.50 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 74 R 6.70 3.44 0.00 1.30 1.45 0.00 2.87 0.00 0.00 2.89 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.71 4.24 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.21 0.00 76 E 9.17 3.88 0.00 1.96 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 2.29 2.32 0.00 77 K 7.74 4.51 0.00 1.69 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.40 7.81 78 I 9.01 4.31 1.84 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 1.09 1.29 0.89 0.00 0.00 79 T 8.29 4.49 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 1.20 0.00 0.00 80 R 7.86 4.11 0.00 1.99 2.10 0.00 3.18 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 81 T 9.02 4.52 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 1.27 0.00 0.00 82 K 8.56 3.66 0.00 1.57 1.80 0.00 1.73 0.00 0.00 1.95 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.44 7.81 83 E 8.08 4.01 0.00 2.09 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 2.39 2.46 0.00 84 E 8.08 3.92 0.00 2.13 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 2.29 2.30 0.00 85 A 8.06 3.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 3.84 0.00 1.84 1.88 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.13 3.91 0.00 2.10 1.90 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 2.33 2.23 0.00 88 L 7.73 3.48 0.00 1.65 1.21 0.83 0.61 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 89 I 7.41 3.70 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 0.89 0.00 0.00 90 N 8.23 4.44 0.00 2.83 2.84 0.00 0.00 7.01 7.21 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 91 G 7.82 3.52 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 92 Y 7.66 4.46 0.00 3.19 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 93 I 8.38 3.82 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.95 0.97 0.00 0.00 94 Q 8.12 4.06 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 95 K 8.25 4.09 0.00 2.06 1.94 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.70 7.81 96 I 8.05 4.26 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.39 1.06 0.00 0.00 97 K 8.17 4.17 0.00 1.86 1.94 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.63 7.81 98 S 8.23 4.46 0.00 4.07 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 99 G 7.90 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 0.00 0.00 0.00 100 E 7.94 4.15 0.00 1.99 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 2.39 2.48 0.00 101 E 8.13 4.78 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 102 D 8.26 5.05 0.00 2.93 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 0.00 103 F 9.02 3.93 0.00 3.26 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 0.00 104 E 8.39 4.14 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 2.49 2.63 0.00 105 S 8.13 4.04 0.00 3.87 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 0.00 106 L 7.73 3.84 0.00 1.55 1.31 0.96 1.03 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 0.00 107 A 8.02 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.54 4.20 0.00 3.89 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 0.00 109 Q 7.50 3.97 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 110 F 7.77 5.00 0.00 2.73 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 0.00 111 S 7.97 4.50 0.00 3.83 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 9.22 4.54 0.00 2.74 2.60 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 0.00 113 C 7.80 4.91 0.00 3.01 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 0.00 114 S 8.60 4.40 0.00 4.07 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 0.00 115 S 8.16 4.29 0.00 4.29 4.22 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 0.00 116 A 8.03 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.65 3.86 0.00 1.60 1.68 0.00 1.39 0.00 0.00 1.34 0.00 0.00 2.43 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.91 1.36 7.81 118 A 7.65 4.63 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 0.00 119 R 8.88 3.66 0.00 2.04 2.10 0.00 3.18 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 120 G 8.47 4.12 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 0.00 0.00 0.00 121 D 7.75 4.88 0.00 2.71 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 0.00 122 L 8.84 4.45 0.00 2.02 1.76 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.75 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.09 4.82 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 0.00 125 F 8.39 5.08 0.00 3.16 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 0.00 126 S 8.93 5.83 0.00 4.14 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 0.00 127 R 8.50 4.24 0.00 1.64 1.80 0.00 2.88 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.61 0.00 128 G 8.76 4.12 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 0.00 0.00 0.00 129 Q 7.67 4.33 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 130 M 7.58 4.28 0.00 1.75 1.99 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 131 Q 8.21 4.07 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 132 K 8.79 3.96 0.00 1.88 1.85 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.64 7.81 133 P 0.00 4.49 0.00 2.39 2.16 0.00 3.69 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 2.20 2.20 0.00 134 F 8.21 3.97 0.00 3.07 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 0.00 135 E 8.85 4.28 0.00 2.20 2.18 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 2.43 2.64 0.00 136 D 8.74 4.41 0.00 2.81 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 0.00 137 A 7.86 3.92 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 0.00 138 S 7.83 3.96 0.00 4.23 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 0.00 139 F 8.52 4.14 0.00 3.01 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 0.00 140 A 7.69 4.23 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 0.00 141 L 7.10 4.26 0.00 1.58 1.56 0.85 0.89 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 0.00 142 R 8.55 4.35 0.00 1.96 1.84 0.00 3.23 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 143 T 8.15 3.99 4.20 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 1.16 0.00 0.00 144 G 9.34 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 0.00 145 E 7.96 4.51 0.00 2.11 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 2.33 2.27 0.00 146 M 8.41 5.24 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 147 S 8.79 4.40 0.00 4.04 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 0.00 148 G 8.57 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 0.00 149 P 0.00 4.58 0.00 1.89 1.94 0.00 3.79 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 2.08 2.14 0.00 150 V 8.84 4.49 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 1.13 0.00 0.00 0.97 0.00 0.00 151 F 9.20 5.31 0.00 2.93 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.92 4.85 4.50 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 1.36 0.00 0.00 153 D 8.66 4.49 0.00 2.90 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 0.00 154 S 7.91 4.39 0.00 3.98 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 0.00 155 G 6.33 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.92 4.80 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.65 0.45 0.00 0.00 157 H 9.23 5.56 0.00 3.12 3.41 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.62 4.88 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.85 1.14 0.00 0.00 159 I 8.98 4.96 1.68 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.73 0.65 0.00 0.00 160 L 8.95 4.68 0.00 0.49 0.77 0.69 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.58 4.70 0.00 1.82 1.86 0.00 3.08 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 162 T 8.79 4.37 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 1.13 0.00 0.00 163 E 7.65 4.17 0.00 1.90 1.71 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 2.25 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.