NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4842 8.3049 118.1958 55.0511 32.5686 174.1900 2 L 4.6536 8.4133 119.2128 51.0080 45.1130 175.3596 3 D 4.9489 8.5547 122.8901 51.9181 43.9273 176.5733 4 A 3.9276 8.3057 120.5790 55.1741 18.3356 179.8149 5 F 4.0280 8.0531 115.7014 60.7564 39.2428 177.5885 6 A 4.0855 8.9997 120.7990 55.0968 17.9831 179.5296 7 K 3.9712 8.0550 118.1551 59.6134 32.2135 179.2879 8 V 3.6033 7.6597 118.2518 65.7808 31.4569 178.2389 9 V 3.6102 7.7460 117.8496 66.0641 31.2680 178.0585 10 S 4.2916 8.6857 114.2921 61.4064 62.6425 176.4436 11 Q 3.9933 7.7500 120.9925 58.3931 28.7120 178.0351 12 A 4.1206 8.1591 122.1214 55.1893 18.3833 179.1151 13 D 4.2222 8.5501 116.8328 57.4671 41.0675 178.3422 14 A 3.9899 7.6654 119.9280 54.3050 18.4297 178.7082 15 R 4.4168 7.7778 114.4690 55.3557 30.7438 177.2233 16 G 3.8853 7.9731 107.0474 45.9185 0.0000 173.3067 17 E 4.7739 7.7317 117.5504 54.1573 31.7740 175.6227 18 Y 4.2366 8.5197 118.5709 57.6015 38.6562 176.2083 19 L 4.2095 8.3573 122.7044 54.7869 42.5406 178.0480 20 S 4.6030 8.5076 117.2867 57.7247 65.5006 175.3907 21 G 3.7775 8.7419 109.7710 48.3227 0.0000 175.8088 22 S 4.1045 8.0251 114.4989 61.4977 62.6379 176.2175 23 Q 4.0307 7.7985 120.7954 58.9718 28.4246 178.8078 24 I 3.8074 8.1558 121.2792 64.3932 37.0814 178.1836 25 D 4.3643 8.5959 120.0190 57.3669 40.7786 178.6496 26 A 3.9882 7.9693 121.0717 55.2263 18.3465 179.7335 27 L 3.9138 7.9389 117.1889 57.8368 41.6766 179.6894 28 S 4.1898 8.2662 115.0584 61.7428 62.8737 176.6217 29 A 4.0415 8.2499 123.3373 55.0792 17.8347 179.5849 30 L 3.9305 7.5811 116.2044 58.1091 41.9389 179.6363 31 V 3.7926 7.9971 117.8436 65.8840 31.2012 177.7442 32 A 4.0318 7.8996 119.8112 55.1214 18.4748 178.3811 33 D 4.7843 7.9711 114.8818 54.3248 41.0346 178.3993 34 G 3.8265 8.1684 109.1299 48.4538 0.0000 175.8400 35 N 4.4013 8.1247 118.8984 55.6975 38.6327 177.5845 36 K 3.9974 8.0084 119.4493 59.4447 32.2126 179.2191 37 R 3.9752 8.1095 119.0571 59.6748 29.9353 178.4947 38 M 4.2143 7.9626 118.1556 58.1183 31.9733 178.4090 39 D 4.3567 8.3484 119.4443 57.2804 41.0454 178.8782 40 V 3.6419 7.9238 118.7436 66.0578 31.5416 178.3010 41 V 3.6755 8.0414 117.9890 65.9609 31.4702 177.4578 42 N 4.3342 8.9283 117.2193 56.7771 38.5786 177.1625 43 R 3.9418 7.9037 118.1963 59.4437 30.5966 178.8240 44 I 3.9401 7.7621 119.4792 64.6269 36.9480 178.6817 45 T 4.0064 8.1088 116.9122 66.5443 68.0867 176.8591 46 G 3.7742 8.0113 105.9776 46.4554 0.0000 173.8956 47 N 5.0881 7.7651 118.1216 52.7196 39.8041 176.5932 48 S 4.1611 7.9684 117.5142 61.7704 62.8294 176.3737 49 S 4.1114 8.0234 118.2644 61.6653 62.5569 176.7482 50 T 3.9170 7.8191 117.8387 66.5192 68.3190 176.6616 51 I 3.6646 7.8249 121.7689 64.3779 37.1802 178.5628 52 V 3.5362 7.7783 118.5666 65.9371 31.4482 177.7774 53 A 4.0031 8.3259 120.7509 55.5075 18.4280 179.4629 54 N 4.3093 8.4865 114.9522 56.1752 38.5368 177.5748 55 A 3.9102 8.0742 122.1323 55.1605 18.3890 179.6051 56 A 3.4488 8.0258 119.2516 54.8847 18.4775 179.8032 57 R 3.8670 7.9949 117.3930 59.6412 30.1554 178.6394 58 S 4.1719 7.9029 112.3995 60.6206 62.3019 175.9237 59 L 3.8318 7.5864 123.3644 58.1674 41.6388 178.9485 60 F 4.5828 7.7408 115.9571 59.9353 38.8903 177.3740 61 A 4.2245 7.7023 120.1866 55.0809 18.3389 179.1631 62 E 4.2148 8.2375 116.1642 57.8819 31.1911 177.4193 63 Q 4.6488 8.1709 117.9294 53.2991 29.0690 174.1611 64 P 4.6056 0.0000 0.0000 64.6299 32.2059 179.4541 65 Q 4.1189 7.9660 116.4726 58.5086 28.9657 177.3518 66 L 4.1740 8.1047 119.4825 56.7172 41.8334 178.3691 67 I 4.0998 7.5352 109.5486 60.8124 38.9319 175.9356 68 A 4.0011 7.7238 124.9688 51.2534 18.7539 174.9619 69 P 2.9700 0.0000 0.0000 63.9541 31.5730 177.0890 70 G 3.9408 8.5009 111.2976 45.1347 0.0000 173.9774 71 G 4.0843 8.1293 108.7021 44.3585 0.0000 174.4393 72 N 4.2800 8.5972 118.4256 55.8048 39.2274 176.1735 *75 A 4.8346 7.7291 118.8898 52.2917 20.0144 175.3291 76 Y 4.3302 7.7254 119.8979 59.3057 40.1147 176.1303 77 T 3.0951 7.1437 111.4664 62.0732 68.7201 173.0007 78 S 4.0204 8.2559 118.4986 61.7141 62.8380 176.8886 79 R 3.8510 7.8386 120.9711 59.4003 29.7337 178.7416 80 R 3.8747 7.5466 116.5585 59.2950 30.0696 178.3509 81 M 3.9219 7.8092 117.6706 58.8221 32.1363 177.9723 82 A 3.9762 8.2711 120.6820 55.2437 18.5348 179.4375 83 A 3.9560 8.2153 119.2322 55.4624 18.4753 179.4337 84 C 4.1517 8.4728 117.5370 62.6765 31.5837 175.8665 85 L 4.0877 8.2865 120.8017 57.5784 41.1676 179.1266 86 R 3.9165 8.2308 118.8813 59.7832 29.9489 178.3270 87 D 4.4160 8.1741 118.4156 57.5762 40.8686 178.6171 88 M 4.0991 8.1504 119.2208 58.4924 32.0214 178.4371 89 E 3.9599 8.5762 119.7584 59.2895 29.7709 178.9593 90 I 3.7313 8.0144 120.0046 64.4818 37.1706 178.5326 91 I 3.8233 7.9773 120.7243 64.0736 36.9107 178.2541 92 L 3.8962 7.9056 121.2488 58.0413 41.9433 178.8569 93 R 3.5042 7.8266 118.5461 59.7692 30.0412 178.1375 94 Y 3.6553 7.6709 115.8920 60.3230 37.7917 178.2513 95 V 3.3978 7.8114 120.0554 66.0664 31.4268 178.1203 96 T 4.0033 7.7142 109.4259 64.5328 68.6870 176.3629 97 Y 4.2411 7.8658 119.6689 61.1930 37.8525 178.5410 98 A 4.0829 7.7680 122.6413 54.5360 18.0618 179.8064 99 I 3.8466 7.5417 117.6472 64.4191 37.2727 177.9882 100 F 4.2498 8.4663 120.6253 61.1768 39.5695 176.4718 101 A 4.4260 8.4740 119.4411 51.6973 18.7349 177.7599 102 G 4.0929 8.9105 105.1954 45.7006 0.0000 173.1085 103 D 4.7246 7.6242 116.4175 51.4093 44.4365 175.4427 104 A 4.1531 8.9051 126.1596 53.5333 18.4782 179.9683 105 S 4.0580 8.8062 115.6464 61.7457 62.9720 177.3725 106 V 3.7000 7.7414 121.1133 64.5257 31.2114 177.9318 107 L 3.8380 7.8062 120.4809 58.0140 41.6483 178.5974 108 D 4.2732 8.0760 118.6671 57.4618 40.5890 178.5992 109 D 4.2899 8.1805 118.2502 57.3478 41.0189 178.5126 110 R 4.1867 8.1482 116.2657 56.9193 30.5221 175.8258 111 C 4.2324 7.3637 114.7882 60.7069 33.8837 174.9561 112 L 3.9828 8.1497 119.5571 56.8329 41.5725 176.6702 113 N 4.5223 7.4585 117.5350 54.8709 38.9386 174.9189 114 G 3.8857 8.8883 114.1162 45.7215 0.0000 174.2665 115 L 3.5664 7.9261 122.0151 57.9451 42.0759 178.6479 116 K 3.9140 8.0553 119.2546 59.7435 31.9678 178.2418 117 E 4.0743 8.0729 117.0786 59.3609 29.6239 179.1722 118 T 3.8063 7.5201 116.4761 66.8370 68.4462 176.2977 119 Y 4.5141 8.0087 118.7933 61.0361 37.5930 178.4962 120 L 4.0403 7.9085 119.1269 57.8560 41.8263 179.1529 121 A 4.1683 8.0907 119.7472 55.0013 18.3876 179.3214 122 L 4.2275 8.0516 116.9535 55.7469 41.8639 178.4278 123 G 3.9556 8.4654 106.2214 45.3481 0.0000 173.1422 124 T 4.2668 7.8169 116.2258 61.2865 69.1331 173.2871 125 P 4.4223 0.0000 0.0000 62.7362 31.4241 176.9040 126 G 3.8214 8.9182 113.7386 47.2161 0.0000 173.2865 127 S 4.3259 7.9678 115.3170 60.8490 63.4890 176.5958 128 S 4.1450 7.9348 118.8850 61.3054 62.7057 176.2091 129 V 3.5367 7.6796 120.7247 66.0623 31.1473 178.0273 130 A 4.0437 7.9334 120.4516 55.0100 18.2246 179.7127 131 V 3.6211 7.7714 116.5475 66.1132 31.5622 178.4695 132 G 3.5815 7.9729 105.1582 47.8274 0.0000 175.8691 133 V 3.7472 7.7490 120.4954 65.8376 31.5729 178.2452 134 Q 4.0751 8.3182 118.0302 58.7964 28.5283 178.8124 135 K 3.9779 8.0998 119.6735 59.5279 32.0144 179.3609 136 M 4.0082 8.1589 119.1616 57.9606 31.7967 178.4393 137 K 2.4800 8.1086 120.0963 59.3226 32.2622 178.5243 138 D 4.1979 7.8975 118.5883 57.2352 40.6978 178.7257 139 A 3.9470 7.7462 120.6849 55.0291 18.3838 179.5489 140 A 4.0273 7.9183 119.3355 55.0009 18.3725 179.7912 141 L 4.0302 8.0528 117.3953 57.4055 41.4141 179.3679 142 A 4.0575 7.4881 120.0116 54.9324 18.2424 179.4098 143 I 3.8291 7.9342 118.2397 64.4396 36.9771 178.5572 144 A 4.0476 8.1408 121.9679 54.6005 18.3482 178.3265 145 G 3.8323 7.6652 102.4211 45.5967 0.0000 173.3777 146 D 4.3448 7.7513 121.1692 54.5870 41.1869 176.5229 147 T 4.1650 8.4495 116.0399 62.2869 69.3972 174.3853 148 N 4.5307 7.6985 121.0098 54.0698 39.2181 174.9481 149 G 3.9478 8.9118 109.4026 46.2908 0.0000 173.0214 150 I 4.6229 7.4005 116.6842 58.8556 41.2601 174.2676 151 T 4.0661 8.3272 121.5427 63.2109 68.7082 175.0952 152 R 4.0500 8.6633 126.1013 56.1654 30.8237 176.4463 153 G 3.8698 7.6803 107.8883 45.9565 0.0000 171.0507 154 D 4.8212 8.7891 118.9920 52.9468 42.4749 175.9198 155 C 4.7677 8.4893 122.3178 59.4262 29.3765 175.6066 156 A 4.0987 8.1761 124.7581 55.3845 17.7128 180.7785 157 S 4.0845 7.9878 113.2509 61.5069 63.0150 176.6242 158 L 3.9868 7.8548 121.2060 58.2654 41.4853 179.3113 159 M 4.2156 8.5889 118.6297 58.3348 31.8186 178.8075 160 A 3.9686 7.8898 120.9273 54.9290 18.0455 179.2020 161 E 3.6091 8.4340 118.2821 59.2859 29.7575 179.2384 162 V 3.7148 8.3138 118.3172 66.1466 31.6536 177.9281 163 A 4.2612 8.0934 120.6643 55.1028 18.1384 179.7181 164 S 4.0936 8.0647 112.9086 61.6254 63.0726 176.3349 165 Y 4.4652 7.5822 120.3535 60.6946 37.4551 178.0828 166 F 4.2054 8.2316 118.5438 60.7121 39.1743 177.2526 167 D 4.4238 8.4988 118.6428 57.2662 40.4337 178.8217 168 K 4.0117 8.7224 120.4766 59.2577 31.8235 178.8465 169 A 4.0156 8.1640 120.9538 55.2115 17.8574 179.5463 170 A 3.9731 8.4246 119.6436 55.2851 18.2472 179.7005 171 S 4.3070 8.0934 111.9081 60.5980 63.1354 176.2416 172 A 4.1613 7.6088 123.4489 54.3628 18.1013 179.0576 173 V 4.1901 7.5365 109.3079 62.1052 32.5147 176.1326 174 A 4.3962 7.5659 123.8672 52.2377 18.8168 176.7534 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 4.48 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 L 8.41 4.65 0.00 1.62 1.59 0.93 0.74 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 3 D 8.55 4.95 0.00 3.25 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 4 A 8.31 3.93 1.07 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 0.00 0.00 5 F 8.05 4.03 0.00 3.28 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 6 A 9.00 4.09 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 7 K 8.05 3.97 0.00 2.04 1.98 0.00 1.52 0.00 0.00 1.58 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.61 7.81 8 V 7.66 3.60 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 0.94 0.00 0.00 0.92 0.00 0.00 9 V 7.75 3.61 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 1.05 0.00 0.00 1.01 0.00 0.00 10 S 8.69 4.29 0.00 4.03 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 0.00 11 Q 7.75 3.99 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 12 A 8.16 4.12 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 13 D 8.55 4.22 0.00 2.73 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 14 A 7.67 3.99 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 15 R 7.78 4.42 0.00 1.93 1.98 0.00 3.39 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 16 G 7.97 3.89 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 0.00 0.00 0.00 17 E 7.73 4.77 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 18 Y 8.52 4.24 0.00 2.86 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 19 L 8.36 4.21 0.00 1.69 1.66 0.95 0.94 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 20 S 8.51 4.60 0.00 4.06 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 21 G 8.74 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.03 4.10 0.00 3.91 3.88 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 0.00 0.00 0.00 23 Q 7.80 4.03 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 24 I 8.16 3.81 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.05 0.95 0.00 0.00 25 D 8.60 4.36 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.97 3.99 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 27 L 7.94 3.91 0.00 1.99 1.98 1.03 0.25 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 28 S 8.27 4.19 0.00 4.01 3.95 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 29 A 8.25 4.04 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 30 L 7.58 3.93 0.00 1.67 1.76 0.88 0.59 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 31 V 8.00 3.79 2.28 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 1.11 0.00 0.00 1.12 0.00 0.00 32 A 7.90 4.03 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 33 D 7.97 4.78 0.00 2.81 2.70 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 0.00 0.00 0.00 0.00 34 G 8.17 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 35 N 8.12 4.40 0.00 2.79 2.89 0.00 0.00 7.01 7.77 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 36 K 8.01 4.00 0.00 1.94 1.88 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 37 R 8.11 3.98 0.00 1.91 2.11 0.00 3.04 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 38 M 7.96 4.21 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.88 0.00 39 D 8.35 4.36 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.92 3.64 2.29 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 1.10 0.00 0.00 1.03 0.00 0.00 41 V 8.04 3.68 2.36 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 1.09 0.00 0.00 1.19 0.00 0.00 42 N 8.93 4.33 0.00 2.97 2.97 0.00 0.00 7.26 8.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.90 3.94 0.00 2.01 2.00 0.00 3.34 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 44 I 7.76 3.94 1.95 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 1.62 1.08 1.01 0.00 0.00 45 T 8.11 4.01 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 1.22 0.00 0.00 46 G 8.01 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 47 N 7.77 5.09 0.00 2.84 2.77 0.00 0.00 6.57 7.58 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 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*75 A 7.73 4.83 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 76 Y 7.73 4.33 0.00 3.06 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.14 3.10 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 0.76 0.00 0.00 78 S 8.26 4.02 0.00 3.81 3.89 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 79 R 7.84 3.85 0.00 1.84 1.88 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 80 R 7.55 3.87 0.00 2.12 2.16 0.00 3.21 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 81 M 7.81 3.92 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 82 A 8.27 3.98 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 83 A 8.22 3.96 1.40 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.53 0.00 0.00 125 P 0.00 4.42 0.00 2.23 2.22 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 126 G 8.92 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 0.00 0.00 0.00 127 S 7.97 4.33 0.00 4.06 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 0.00 128 S 7.93 4.15 0.00 3.99 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 0.00 129 V 7.68 3.54 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 1.09 0.00 0.00 0.51 0.00 0.00 130 A 7.93 4.04 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 0.00 131 V 7.77 3.62 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 0.96 0.00 0.00 0.99 0.00 0.00 132 G 7.97 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 0.00 133 V 7.75 3.75 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 1.10 0.00 0.00 1.08 0.00 0.00 134 Q 8.32 4.08 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 135 K 8.10 3.98 0.00 1.87 1.78 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 136 M 8.16 4.01 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 137 K 8.11 2.48 0.00 1.20 1.70 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.16 1.13 7.81 138 D 7.90 4.20 0.00 2.65 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 0.00 139 A 7.75 3.95 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 0.00 140 A 7.92 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.05 4.03 0.00 1.62 1.70 0.87 0.65 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 0.00 142 A 7.49 4.06 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 0.00 143 I 7.93 3.83 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 1.46 1.11 0.98 0.00 0.00 144 A 8.14 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.67 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 0.00 146 D 7.75 4.34 0.00 2.92 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 0.00 147 T 8.45 4.17 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 1.21 0.00 0.00 148 N 7.70 4.53 0.00 2.92 2.78 0.00 0.00 6.90 7.53 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 0.00 149 G 8.91 3.95 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 0.00 0.00 0.00 150 I 7.40 4.62 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 1.03 0.00 0.00 151 T 8.33 4.07 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 1.22 0.00 0.00 152 R 8.66 4.05 0.00 1.78 1.87 0.00 3.32 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 1.64 1.69 0.00 153 G 7.68 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 0.00 154 D 8.79 4.82 0.00 2.61 2.57 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 0.00 0.00 0.00 0.00 155 C 8.49 4.77 0.00 3.00 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 0.00 156 A 8.18 4.10 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 0.00 157 S 7.99 4.08 0.00 3.87 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 0.00 158 L 7.85 3.99 0.00 1.77 1.75 0.97 1.01 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 0.00 159 M 8.59 4.22 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.91 0.00 160 A 7.89 3.97 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 0.00 161 E 8.43 3.61 0.00 2.07 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 1.91 2.16 0.00 162 V 8.31 3.71 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 1.28 0.00 0.00 1.08 0.00 0.00 163 A 8.09 4.26 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 0.00 164 S 8.06 4.09 0.00 3.98 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 0.00 165 Y 7.58 4.47 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 8.23 4.21 0.00 3.20 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 0.00 167 D 8.50 4.42 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 K 8.72 4.01 0.00 2.06 2.16 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.54 7.81 169 A 8.16 4.02 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 0.00 170 A 8.42 3.97 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 0.00 171 S 8.09 4.31 0.00 3.90 3.95 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 0.00 172 A 7.61 4.16 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 0.00 173 V 7.54 4.19 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 1.05 0.00 0.00 1.13 0.00 0.00 174 A 7.57 4.40 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 * Residues marked with a * may have inaccurate shift predictions.