NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4906 8.3349 115.4151 57.7330 64.3385 173.8350 5 K 3.9159 8.6518 122.1417 59.0525 32.4105 177.0485 6 K 4.0822 8.4446 118.4539 59.8081 33.1926 180.0793 7 E 4.2195 7.9633 118.3805 56.4884 29.4738 178.9474 *9 I 4.1597 7.9913 118.6929 60.9408 39.2596 178.0160 10 L 3.8383 8.0850 120.1921 57.8845 41.4063 179.7362 11 R 3.9122 7.9015 118.1021 59.7209 30.0681 178.7525 12 T 3.9950 7.8906 114.8941 66.3307 68.5997 176.5373 13 A 4.0848 8.0048 122.9835 54.8434 18.5073 179.7999 14 I 3.6417 8.1293 118.9074 64.8120 36.9449 178.4810 15 D 4.3919 8.0406 119.1824 57.0852 40.4654 178.2137 16 Y 4.1471 8.2111 120.5958 60.7867 38.6919 178.3002 17 I 3.9199 7.7666 111.9982 63.4607 37.7858 177.9720 18 G 3.5496 7.7436 107.0128 47.2836 0.0000 174.7003 19 E 3.9330 7.2403 118.9705 55.3633 30.1274 176.5168 20 Y 4.3549 7.9291 111.6749 57.4496 37.9824 177.6296 21 S 4.5999 8.8169 124.7317 57.9329 66.5182 175.7525 22 L 3.9852 8.4987 120.0538 57.6837 41.4870 179.7407 23 E 4.0236 7.9727 116.5573 58.7089 29.5145 177.6646 24 T 4.3083 7.2597 106.8870 60.9211 69.4446 174.1975 25 L 3.8241 7.7738 125.5457 55.0478 41.9901 176.4644 26 S 4.6296 8.3221 120.9154 55.6308 67.5152 174.1276 27 Y 4.3516 8.4081 120.6334 61.8366 37.6564 178.8941 28 D 4.3685 8.1694 118.2715 57.3377 41.5641 178.2220 29 S 4.0961 8.0969 114.8512 61.0939 63.1499 176.1550 30 L 3.8584 8.2838 123.9882 57.2581 41.8579 178.8911 31 A 3.9548 8.0749 121.2074 55.6864 18.1917 178.3089 32 E 3.6924 8.0583 114.9573 60.2744 29.6025 178.0399 33 A 4.1589 8.1769 123.9203 54.8096 18.8538 178.4147 34 T 4.2913 7.8963 104.1061 61.5114 69.8601 175.0374 35 G 4.1365 8.0717 109.9531 45.5261 0.0000 174.1579 36 L 4.2218 7.0232 116.9594 54.3796 42.4333 177.4673 37 S 4.4766 8.3786 115.3298 57.5308 65.4282 175.0302 38 K 3.8558 8.5005 123.9483 60.2681 31.9256 178.7156 39 S 4.3013 8.0736 114.2560 60.6040 62.7433 176.5448 40 G 3.7287 8.1764 108.9726 47.8763 0.0000 175.4257 41 L 4.1713 7.9345 122.8964 58.0231 41.9815 179.1792 42 I 3.8001 7.3976 120.7046 63.4495 36.6958 177.4285 43 Y 4.1065 8.1243 120.4396 61.3386 38.5655 178.0606 44 H 4.1493 7.6685 115.0268 56.9930 28.9031 175.4632 45 F 4.6491 8.2556 121.1877 54.8289 39.8250 173.9758 46 P 4.6293 0.0000 0.0000 63.7715 31.8836 177.4037 47 S 4.9097 7.8029 112.3328 55.5309 67.2702 174.5866 48 R 3.6698 8.7370 122.6030 59.8951 29.8307 177.8476 49 H 4.1668 8.4973 117.2907 59.6980 29.6253 176.6154 50 A 4.1628 8.0933 121.9768 54.9550 17.9466 179.3913 51 L 3.4184 7.6525 117.4796 58.1917 42.3038 178.8092 52 L 3.9193 7.6646 117.4755 57.6757 41.8266 178.7998 53 L 4.3975 8.6052 120.6793 58.2028 41.8945 179.9190 54 G 3.8470 7.9930 102.2656 45.9001 0.0000 174.7220 *56 H 4.5796 8.1035 119.2563 55.5763 30.5347 175.6784 57 E 3.7317 8.2204 118.7532 59.1455 29.1314 179.1822 58 L 3.9295 7.8846 120.2572 58.2949 42.3350 179.1277 59 L 4.0015 7.7167 118.1583 57.6148 41.2025 179.0539 60 A 3.7110 7.5221 120.2892 53.9384 18.0689 178.4318 61 D 4.4773 7.3553 114.8718 56.0245 42.0429 178.1268 62 D 4.3960 8.2593 119.7609 56.9891 40.5357 178.4963 63 W 4.2381 7.9576 127.8272 60.1949 30.7809 177.4270 64 D 4.2119 7.6572 116.7355 57.0080 41.1122 177.8988 65 K 4.0798 8.0468 120.1160 59.4946 32.1562 178.1738 66 E 4.1601 8.5073 117.3060 57.4510 29.7154 176.2278 67 L 4.6235 7.4222 119.8680 55.1623 43.1147 176.6118 68 R 4.5109 7.8282 115.8362 57.9599 32.8873 175.7943 69 D 4.5771 8.1678 112.0935 54.7005 40.8449 175.8736 70 I 4.3173 7.6992 117.8069 61.4696 40.1137 175.4852 71 T 4.5631 7.8606 114.3577 60.9714 68.0222 173.8658 72 R 4.6078 8.3028 128.0343 55.6975 30.3814 175.7014 73 D 4.6940 7.4169 111.4759 52.2905 43.4338 174.4519 74 P 4.2280 0.0000 0.0000 64.8040 31.0360 177.5694 75 E 3.4703 6.8246 116.7848 58.9619 30.1989 176.5577 76 D 4.9018 7.6603 117.7352 51.0133 43.1974 175.3042 77 P 4.2496 0.0000 0.0000 66.6098 30.8994 178.6191 78 L 4.0425 7.9103 118.4544 57.3683 41.5198 179.2294 79 E 4.0798 8.5378 118.1294 58.9195 29.3556 179.6350 80 R 4.4486 7.9432 118.8986 59.1216 30.1193 178.5709 81 L 4.0574 8.1562 120.2289 58.1663 42.1221 178.9162 82 R 3.8914 8.3730 118.6451 59.3751 29.9073 178.4340 83 A 3.9643 7.6980 119.1232 55.0778 18.3854 179.4298 84 V 3.6205 8.3076 117.3194 66.4609 31.4249 178.4289 85 V 3.5831 8.1455 117.9368 65.9805 31.4976 178.2129 86 V 3.5544 7.8772 118.2207 66.1082 31.4202 178.1608 87 T 4.1820 8.1115 111.2995 64.2516 68.4210 176.4036 88 L 3.4435 7.9796 121.0986 57.3721 41.7691 179.1436 89 A 4.1952 7.9940 119.5688 54.6350 18.3508 177.9603 90 E 4.6170 8.0866 110.6532 55.5228 32.4257 175.0833 91 N 4.9821 7.8370 118.0269 50.9404 37.4259 175.1347 92 V 4.3455 7.1390 115.3774 61.8335 34.7945 172.2665 93 S 4.8103 8.5853 122.7350 56.9464 63.3538 176.6189 94 R 2.9311 8.4665 115.0261 58.3098 29.7111 176.2619 95 P 4.1671 0.0000 0.0000 65.9318 31.2784 178.2447 96 E 4.2250 8.2255 116.5136 59.2634 29.3006 179.0679 97 L 3.9530 7.6689 119.9048 58.1990 42.1963 178.9499 98 L 3.9079 7.9932 119.1235 57.8776 41.5056 179.6899 99 L 3.9671 8.3879 119.1638 57.7594 41.3632 179.4278 100 L 3.5741 7.8583 118.1560 57.7652 41.5511 179.3942 101 I 3.8343 7.6912 118.9010 64.4936 37.2837 177.7950 102 D 4.4901 8.3242 118.5170 56.8973 40.7730 177.7720 103 A 4.2782 8.1268 121.4336 54.9142 18.4859 177.4373 104 P 4.4001 0.0000 0.0000 65.9033 30.9456 178.2925 105 S 4.3028 8.2130 113.3480 59.9979 63.2444 173.9063 106 H 4.4092 7.9706 119.9995 53.3809 33.4191 172.1269 107 P 4.1943 0.0000 0.0000 66.2070 30.8927 178.1405 108 D 4.4364 8.0878 115.6182 57.5765 41.0918 178.8633 109 F 4.6027 8.0422 117.8945 60.6198 39.0133 177.5020 110 L 4.1588 8.2319 118.2697 58.3956 41.4406 179.0705 111 N 4.3343 8.4863 116.2200 56.8047 38.6199 176.4631 112 A 4.1121 7.8946 120.3079 53.5904 18.7104 178.4066 113 W 4.6573 8.2683 116.6520 56.4567 29.7681 177.7053 114 R 3.9760 7.8083 119.2238 60.3922 29.3455 178.1952 115 T 3.8462 8.0207 113.5710 67.4856 68.4875 176.0623 116 V 3.8361 7.6754 118.5497 66.4748 31.6051 178.0256 117 N 4.5633 8.5187 114.8297 55.1730 38.3630 174.9726 118 H 4.6773 8.2061 116.4723 56.5820 31.5307 171.6787 119 Q 4.5884 7.9183 133.3703 55.7345 27.3768 173.0285 120 W 4.6929 7.6531 115.3561 58.1966 31.4237 175.7810 121 I 3.8035 7.4111 116.9065 60.6767 36.9006 174.7024 122 P 4.5328 0.0000 0.0000 62.3452 31.8098 175.8278 123 D 4.5944 8.5080 119.1047 53.9228 39.8731 176.2770 124 T 3.8175 8.1771 109.6552 61.4462 69.3804 174.7859 125 D 4.3639 7.2402 122.0700 55.2794 41.8560 175.5522 126 D 4.3371 8.4025 119.0036 56.0538 38.0725 173.7519 127 L 4.6507 7.3174 115.6294 54.3970 44.3503 176.5059 128 E 4.0783 8.3544 118.2528 59.2050 29.6761 176.7167 129 N 4.7870 8.0161 112.0301 52.5041 40.6777 174.0341 130 D 4.6954 7.8151 118.1837 52.2962 42.1656 175.8792 131 A 3.9729 8.5631 129.4738 55.6638 18.4949 177.9911 132 H 3.9537 8.3943 115.9007 59.7558 29.9471 176.9889 133 K 4.0663 8.2142 120.3156 59.3288 31.9701 178.8959 134 R 4.0109 8.2536 118.5490 59.0872 29.7577 178.7032 135 A 4.0037 8.3918 120.9671 55.2400 18.1835 180.1130 136 V 3.6300 7.9193 111.0506 64.5365 31.5988 178.1454 137 Y 3.8989 8.1034 119.0412 59.9803 38.5877 177.3082 138 L 3.9369 8.3055 121.9963 58.3724 42.2581 179.0325 139 V 3.5941 7.4746 117.7700 66.2535 31.2959 177.7417 140 Q 3.9129 7.6156 119.3176 58.7952 28.7448 178.0172 141 L 3.9476 7.9241 120.2051 57.3753 41.6003 179.2951 142 A 3.9112 8.0896 120.5285 55.0926 18.3663 179.1268 143 A 3.9570 7.8998 119.3176 55.9094 18.4091 179.6467 144 D 4.6458 8.3510 117.0382 57.5488 40.8646 179.4127 145 G 3.6135 8.2756 106.5118 47.5392 0.0000 175.5992 146 L 4.0440 7.8869 121.9743 57.5888 42.1953 178.3524 147 F 4.5142 8.4579 120.3973 61.3903 39.7308 177.0096 148 V 3.6107 7.8020 110.4621 62.4772 31.6714 177.3933 149 H 3.6444 7.7295 118.3731 59.8760 29.4081 176.4184 150 D 4.2194 7.4935 118.7416 56.4061 40.7213 177.1992 151 Y 4.6174 7.1108 115.6790 57.8337 38.8298 176.0038 152 I 4.3666 7.5229 110.5590 60.4226 39.3253 174.8687 153 H 4.8866 7.5190 118.3243 53.9814 31.0337 174.7795 154 D 4.5464 8.4518 125.1785 52.9501 39.9279 177.7116 155 D 4.3194 7.1615 115.4838 53.4802 42.4217 174.0385 156 V 3.7853 8.0906 125.7960 62.4285 32.2433 175.9105 157 L 4.2685 8.1355 127.0584 54.2285 42.5633 177.5956 158 S 4.4759 8.2569 116.6214 57.3340 65.5026 175.1528 159 K 3.8197 8.6425 122.9152 60.6235 31.8310 179.1468 160 S 4.0637 7.9270 114.6472 61.1070 62.9778 176.2634 161 K 3.8538 7.3633 119.9668 59.1135 31.8134 178.9469 162 R 3.9902 7.8365 118.0956 59.2675 30.2291 178.0161 163 Q 4.1131 8.3309 119.4081 58.8640 29.0012 178.1593 164 A 4.1064 7.9150 117.7820 53.0420 18.0000 178.5875 *166 L 4.1606 7.8042 123.5441 56.4139 43.7738 179.0154 167 E 4.0061 8.2863 117.0374 59.5126 29.3906 179.2114 168 T 4.8466 7.8558 117.3965 66.1988 68.2769 176.8425 169 I 3.7256 7.6140 120.1757 64.3414 37.2970 177.9171 170 L 4.1329 7.8525 118.6699 57.7520 41.7284 178.8779 171 E 4.1522 8.2593 117.9997 59.6486 29.2949 179.1507 172 L 4.1964 7.3280 114.9203 54.9164 41.7546 177.0742 173 I 3.9226 7.2833 121.2676 59.7152 38.4533 173.8373 174 P 4.4505 0.0000 0.0000 63.1001 31.2455 176.0338 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 4 S 8.33 4.49 0.00 4.00 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 5 K 8.65 3.92 0.00 1.80 1.88 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.54 7.81 6 K 8.44 4.08 0.00 1.82 2.01 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.63 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.95 1.28 7.81 7 E 7.96 4.22 0.00 2.02 1.94 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 2.33 2.32 0.00 *9 I 7.99 4.16 2.31 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.85 1.02 0.00 0.00 10 L 8.09 3.84 0.00 1.79 1.65 1.06 0.29 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 11 R 7.90 3.91 0.00 2.20 1.93 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 12 T 7.89 3.99 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 1.26 0.00 0.00 13 A 8.00 4.08 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 14 I 8.13 3.64 2.06 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 1.50 1.05 0.90 0.00 0.00 15 D 8.04 4.39 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 16 Y 8.21 4.15 0.00 3.24 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 17 I 7.77 3.92 1.90 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 1.62 0.68 1.09 0.00 0.00 18 G 7.74 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 19 E 7.24 3.93 0.00 1.81 1.14 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 1.47 1.90 0.00 20 Y 7.93 4.35 0.00 2.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.82 4.60 0.00 3.97 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 22 L 8.50 3.99 0.00 1.74 1.76 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.97 4.02 0.00 2.04 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 0.00 2.33 2.27 0.00 24 T 7.26 4.31 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 1.23 0.00 0.00 25 L 7.77 3.82 0.00 1.77 1.81 0.65 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.32 4.63 0.00 4.01 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 27 Y 8.41 4.35 0.00 3.03 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 28 D 8.17 4.37 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 29 S 8.10 4.10 0.00 3.88 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 30 L 8.28 3.86 0.00 1.57 1.73 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.07 3.95 1.47 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 0.00 0.00 32 E 8.06 3.69 0.00 1.98 2.07 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 2.36 2.38 0.00 33 A 8.18 4.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.90 4.29 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 1.28 0.00 0.00 35 G 8.07 4.14 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 0.00 0.00 0.00 36 L 7.02 4.22 0.00 1.75 1.67 1.04 0.91 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 37 S 8.38 4.48 0.00 4.04 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 38 K 8.50 3.86 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.57 7.81 39 S 8.07 4.30 0.00 3.88 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 40 G 8.18 3.73 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 0.00 0.00 0.00 41 L 7.93 4.17 0.00 2.13 1.81 1.05 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.40 3.80 1.63 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.36 0.81 0.00 0.00 43 Y 8.12 4.11 0.00 2.84 3.11 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 44 H 7.67 4.15 0.00 3.32 2.81 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.26 4.65 0.00 3.21 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 46 P 0.00 4.63 0.00 2.06 2.08 0.00 3.77 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 47 S 7.80 4.91 0.00 4.09 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 48 R 8.74 3.67 0.00 1.80 1.98 0.00 3.12 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.46 0.00 49 H 8.50 4.17 0.00 3.31 3.38 0.00 5.93 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 50 A 8.09 4.16 1.55 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 51 L 7.65 3.42 0.00 1.57 1.74 0.31 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.66 3.92 0.00 1.63 1.24 0.78 0.85 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 53 L 8.61 4.40 0.00 1.96 1.88 1.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 72 R 8.30 4.61 0.00 1.85 1.88 0.00 3.37 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 73 D 7.42 4.69 0.00 2.94 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.23 0.00 2.17 2.22 0.00 3.90 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 75 E 6.82 3.47 0.00 1.92 2.39 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 2.33 2.30 0.00 76 D 7.66 4.90 0.00 2.91 2.77 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 77 P 0.00 4.25 0.00 2.33 2.41 0.00 3.71 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 2.12 2.12 0.00 78 L 7.91 4.04 0.00 1.79 1.80 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.54 4.08 0.00 2.35 2.07 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 2.37 2.53 0.00 80 R 7.94 4.45 0.00 1.95 2.27 0.00 3.02 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.95 0.00 81 L 8.16 4.06 0.00 1.93 1.97 0.94 0.67 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 82 R 8.37 3.89 0.00 1.95 1.96 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 83 A 7.70 3.96 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 84 V 8.31 3.62 2.34 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 1.19 0.00 0.00 1.20 0.00 0.00 85 V 8.15 3.58 2.32 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 1.02 0.00 0.00 1.00 0.00 0.00 86 V 7.88 3.55 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 0.99 0.00 0.00 0.94 0.00 0.00 87 T 8.11 4.18 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 1.26 0.00 0.00 88 L 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0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 105 S 8.21 4.30 0.00 4.15 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 0.00 106 H 7.97 4.41 0.00 2.72 1.96 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.19 0.00 2.05 2.04 0.00 3.13 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 108 D 8.09 4.44 0.00 2.55 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 0.00 109 F 8.04 4.60 0.00 3.42 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 0.00 110 L 8.23 4.16 0.00 2.00 1.86 1.09 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.49 4.33 0.00 2.93 3.06 0.00 0.00 7.20 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 0.00 112 A 7.89 4.11 1.22 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 0.00 0.00 113 W 8.27 4.66 0.00 3.48 3.12 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 0.00 114 R 7.81 3.98 0.00 2.04 2.04 0.00 3.37 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 115 T 8.02 3.85 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 116 V 7.68 3.84 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 0.02 0.00 0.00 0.74 0.00 0.00 117 N 8.52 4.56 0.00 2.92 2.61 0.00 0.00 6.92 8.12 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 0.00 118 H 8.21 4.68 0.00 3.11 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.92 4.59 0.00 2.02 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.83 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 120 W 7.65 4.69 0.00 3.40 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 7.41 3.80 2.07 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.66 0.96 0.00 0.00 122 P 0.00 4.53 0.00 2.36 2.15 0.00 3.90 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 2.02 1.97 0.00 123 D 8.51 4.59 0.00 3.00 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 0.00 124 T 8.18 3.82 3.85 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 0.00 0.00 1.22 0.00 0.00 125 D 7.24 4.36 0.00 2.77 2.62 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 0.00 126 D 8.40 4.34 0.00 2.75 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 0.00 127 L 7.32 4.65 0.00 1.72 1.49 0.59 0.87 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 0.00 128 E 8.35 4.08 0.00 1.93 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 2.28 2.38 0.00 129 N 8.02 4.79 0.00 2.70 2.79 0.00 0.00 6.73 8.06 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 0.00 130 D 7.82 4.70 0.00 2.78 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 0.00 131 A 8.56 3.97 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 0.00 132 H 8.39 3.95 0.00 3.27 3.57 0.00 5.87 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 0.00 133 K 8.21 4.07 0.00 2.18 1.80 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.18 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.64 7.81 134 R 8.25 4.01 0.00 2.09 1.99 0.00 3.20 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 135 A 8.39 4.00 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 0.00 136 V 7.92 3.63 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 137 Y 8.10 3.90 0.00 3.30 3.03 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 0.00 138 L 8.31 3.94 0.00 1.98 1.86 0.93 1.06 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 0.00 139 V 7.47 3.59 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 0.94 0.00 0.00 0.98 0.00 0.00 140 Q 7.62 3.91 0.00 1.85 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 1.74 2.05 0.00 141 L 7.92 3.95 0.00 1.86 1.70 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.09 3.91 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 0.00 143 A 7.90 3.96 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 0.00 144 D 8.35 4.65 0.00 3.00 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 0.00 145 G 8.28 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.89 4.04 0.00 1.91 1.81 0.90 0.55 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 0.00 147 F 8.46 4.51 0.00 2.93 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 0.00 148 V 7.80 3.61 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 0.35 0.00 0.00 0.89 0.00 0.00 149 H 7.73 3.64 0.00 3.30 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 D 7.49 4.22 0.00 1.63 2.30 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 0.00 151 Y 7.11 4.62 0.00 2.86 2.88 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 0.00 152 I 7.52 4.37 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.86 0.00 0.00 153 H 7.52 4.89 0.00 2.96 3.07 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.45 4.55 0.00 2.59 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 0.00 155 D 7.16 4.32 0.00 2.60 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.79 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.85 0.00 0.00 157 L 8.14 4.27 0.00 1.58 1.50 0.75 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.26 4.48 0.00 4.02 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 0.00 159 K 8.64 3.82 0.00 1.94 2.13 0.00 1.50 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.46 7.81 160 S 7.93 4.06 0.00 4.05 4.14 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 0.00 161 K 7.36 3.85 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.57 7.81 162 R 7.84 3.99 0.00 1.87 2.10 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 163 Q 8.33 4.11 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 164 A 7.91 4.11 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 *166 L 7.80 4.16 0.00 1.91 1.91 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.29 4.01 0.00 2.18 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 2.34 2.58 0.00 168 T 7.86 4.85 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 1.24 0.00 0.00 169 I 7.61 3.73 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.46 0.91 0.00 0.00 170 L 7.85 4.13 0.00 1.75 1.74 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.26 4.15 0.00 2.10 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 2.41 2.71 0.00 172 L 7.33 4.20 0.00 1.88 1.74 0.93 0.86 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 0.00 173 I 7.28 3.92 2.06 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 1.37 1.04 0.99 0.00 0.00 174 P 0.00 4.45 0.00 2.24 2.03 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.