NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 A 4.3603 8.2649 123.5863 51.5573 19.9154 176.5976 31 E 3.9726 8.5894 122.1767 53.8352 29.9613 175.7849 32 P 4.3279 0.0000 0.0000 64.5188 32.6893 175.7540 33 E 4.8105 7.2774 118.0292 54.0316 32.4033 175.6377 34 N 4.7965 8.5522 119.0794 53.8651 39.2642 174.3270 35 F 4.9749 8.5068 114.2463 56.1637 41.7645 172.9908 36 L 4.5928 8.4625 121.9921 54.0693 44.9225 174.3807 37 E 4.8835 9.4153 126.4817 54.7661 32.3268 174.9492 38 I 5.1348 8.1411 122.2123 60.0790 41.3892 173.1639 39 E 4.9936 9.1768 127.9369 54.8322 33.6429 173.6333 40 V 5.1095 8.9661 126.2566 61.8622 33.5804 174.3842 41 H 4.6605 9.5465 123.3491 56.1502 31.9554 172.0121 42 N 4.3032 8.7877 111.4810 54.4946 37.0531 173.4564 43 P 4.4260 0.0000 0.0000 63.0385 32.9934 177.3731 44 K 4.4139 8.5482 120.7033 55.2014 36.5472 175.1546 45 T 4.6072 8.2640 121.6870 62.2520 69.9840 174.2289 46 H 4.3141 8.8416 125.6993 54.6405 29.4646 174.9743 47 I 4.0169 8.0376 125.5505 59.6549 37.7566 174.6252 48 P 4.4509 0.0000 0.0000 62.8862 31.8481 175.8402 49 N 4.7818 8.7747 117.2496 53.0645 40.2380 174.8035 50 G 4.2434 7.4533 105.2400 43.3963 0.0000 173.5034 51 M 4.1879 8.5791 118.6046 57.0323 32.4195 176.3882 52 D 4.8646 7.7864 115.7396 54.2358 42.4568 176.1388 53 S 4.3963 7.4039 113.9757 57.3305 63.7000 174.1637 54 K 4.0150 8.5096 120.2913 56.3432 32.2945 177.5308 55 G 3.8002 8.4698 110.6609 45.5456 0.0000 173.0145 56 M 4.5043 8.7111 121.7952 55.5865 32.7044 175.1284 57 F 5.4656 8.2952 118.4816 56.4821 41.4289 172.5042 58 T 5.6203 9.1526 109.0894 58.9404 71.5916 172.4763 59 D 5.3126 8.3188 121.7210 52.1616 43.9562 173.2909 60 Y 5.0589 9.5158 115.7938 56.1276 42.0957 174.5784 61 E 4.8952 9.0899 123.6247 55.5252 31.7007 174.8475 62 I 5.0343 9.1359 127.6475 59.5725 40.0465 174.1771 63 I 4.9973 8.7275 127.5635 59.3065 40.5611 173.7307 64 C 5.3989 9.1930 128.8571 57.7526 35.4678 172.6389 65 R 5.1374 8.6773 123.3825 54.9279 33.5629 174.3287 66 T 3.6981 8.4534 116.5808 60.9019 71.3734 173.0428 67 N 4.9510 6.9932 119.1840 51.8722 38.3799 174.6009 68 L 4.0341 7.4355 120.3577 54.4424 42.0270 176.6298 69 P 4.3744 0.0000 0.0000 65.3203 31.2905 177.5408 70 S 4.2219 8.0866 112.3481 59.8309 63.5229 174.1980 71 F 4.3628 8.0702 119.7213 56.8966 39.8872 175.2574 72 H 4.8390 9.4531 119.0024 55.9432 29.6603 175.1235 73 K 4.6767 7.7303 116.7039 55.2485 35.5369 176.0379 74 R 4.4612 8.7310 120.3033 58.5140 31.0703 176.0844 75 V 4.9372 7.7478 117.0332 61.1135 33.9149 174.8373 76 S 4.7700 9.1403 123.0530 56.6046 66.8453 172.9342 77 K 4.9435 8.7434 124.6728 54.9365 34.5076 175.2816 78 V 4.6581 8.7117 119.8527 59.8266 36.5863 174.5670 79 R 5.2403 8.5059 120.0499 54.7874 32.9055 175.9956 80 R 4.9166 9.4326 120.7861 54.7560 34.8087 175.4851 81 R 4.8953 9.7608 122.8263 55.6856 31.5437 177.0620 82 Y 4.2730 9.1636 120.4530 61.1279 38.6699 178.6238 83 S 4.6752 8.3629 116.0036 60.9693 63.0439 176.1269 84 D 4.7073 8.4765 122.8324 57.3729 40.4888 178.6173 85 F 3.9605 8.4038 117.9544 60.4347 38.7504 177.3958 86 E 3.7954 8.0589 118.3192 59.3270 29.0414 179.2183 87 F 4.3541 8.3584 119.6791 61.2070 39.5683 176.5809 88 F 4.3744 8.5451 119.8374 61.2697 39.2429 176.6878 89 R 3.8280 8.1129 118.5070 59.2069 29.8277 179.0476 90 K 4.0104 7.4514 113.6422 57.2340 31.6348 178.3429 *92 L 3.9859 7.7989 122.8173 55.1295 43.4885 178.8694 93 I 3.5980 7.7246 119.4921 64.2446 36.7680 178.4004 94 K 3.9106 7.9145 120.4326 59.3754 31.9499 178.5518 95 E 3.9035 8.0057 119.1680 59.3183 29.5051 178.5264 96 I 3.6826 8.0016 120.4161 64.4982 37.0032 178.5490 97 S 4.1753 7.8306 114.7049 61.5396 62.6488 176.4787 98 M 4.1189 7.4966 121.8789 57.8662 31.8272 177.8706 99 L 4.1144 7.9117 116.3475 54.3182 42.7992 176.2976 100 N 4.1139 7.6751 115.2991 55.0939 36.6437 174.9166 101 H 5.0118 7.8500 113.9823 53.7937 29.6564 173.8076 102 P 4.4143 0.0000 0.0000 64.3619 31.5826 177.4786 103 K 4.4111 7.6644 116.8038 56.6029 34.0907 176.7101 104 V 3.6791 7.6368 119.5151 62.9010 31.8097 174.8835 105 M 4.6611 8.4340 126.1851 53.3954 34.5116 175.0339 106 V 4.1178 8.1120 122.8095 60.3832 32.9112 173.9413 107 P 4.5039 0.0000 0.0000 62.6109 31.9099 175.9271 108 H 4.5102 8.5631 117.5283 55.8951 29.2674 175.4722 109 L 3.3925 8.1266 122.8373 53.6558 41.8634 175.6326 110 P 4.4468 0.0000 0.0000 62.5249 32.1625 176.2432 111 G 4.0163 8.6218 104.7895 46.7014 0.0000 175.6795 112 K 4.4289 7.4855 119.1004 58.6517 32.2478 178.2066 113 I 3.7455 7.5009 118.4066 61.4835 37.5470 175.4705 114 L 4.5584 8.1787 124.4527 53.5432 44.2687 175.5055 115 L 4.6819 8.5687 125.1429 54.2992 43.5376 175.2256 116 S 4.7013 7.5912 110.3339 56.2580 65.6599 172.6114 117 N 4.2389 8.6616 122.4575 53.7767 38.7832 175.8809 118 R 3.6662 8.5230 122.4788 58.6802 29.3772 177.1771 119 F 4.8337 7.7041 115.0537 57.2712 39.6312 176.5088 120 S 4.4426 8.0673 117.8165 58.0725 64.8808 174.8869 121 N 4.3735 8.7212 120.8594 56.5598 38.3082 177.1529 122 E 3.9426 8.2399 119.5315 59.6767 29.5097 179.4218 123 V 3.5382 7.6221 117.5823 66.1631 31.6196 178.2264 124 I 3.8277 7.7718 119.5201 64.4896 36.9489 178.1123 125 E 4.0232 8.6072 120.5082 59.2980 29.4017 178.7138 126 E 3.9939 8.2987 118.7806 59.3863 29.4026 179.5834 127 R 3.8088 8.3672 118.5748 58.9285 30.0349 178.8395 128 R 3.8871 8.3829 118.9182 59.6448 30.1274 178.5020 129 Q 4.1025 8.2814 117.7152 58.9245 28.6751 179.1645 130 G 3.6089 8.2012 106.6607 47.9558 0.0000 175.7195 131 L 3.8425 8.4133 122.6289 57.0931 41.4618 179.1716 132 N 4.3670 8.3830 117.1858 57.1281 38.9845 177.0435 133 T 3.9169 7.9716 117.0714 66.3328 68.4608 176.4099 134 W 4.0889 8.6045 130.5532 60.7769 30.7933 177.6699 135 M 4.1744 8.8637 118.5796 58.9456 31.6514 178.2368 136 Q 4.1786 8.2888 118.2325 58.7322 28.5864 178.7182 137 S 3.9942 7.7456 113.6637 61.2041 62.8881 176.1836 138 V 3.4300 7.6383 120.9118 65.9488 31.1211 177.9464 139 A 4.1547 8.2982 120.0355 54.3568 18.3455 178.4100 140 G 3.7558 7.6029 103.1987 46.6590 0.0000 174.1546 141 H 4.2148 8.0199 121.0462 55.1683 30.8816 173.4898 142 P 4.2363 0.0000 0.0000 66.0874 31.2300 178.6000 143 L 4.0567 8.0590 116.9729 57.7129 41.6105 179.4034 144 L 4.0142 7.8950 118.6018 57.7643 41.4342 179.2861 145 Q 4.1650 8.2237 117.7259 58.7217 28.6845 178.3959 146 S 4.5681 8.0057 114.1431 59.7248 63.7227 175.1289 147 G 3.9546 8.0997 107.5881 44.6721 0.0000 172.3737 148 S 4.7514 8.1510 116.4050 57.1018 62.8850 174.8451 149 K 3.9243 9.5420 129.2113 59.2014 31.7928 179.6431 150 V 3.7840 8.0898 118.6301 65.7157 31.5298 177.6790 151 L 4.2175 8.1186 120.2236 58.3343 41.8717 179.1283 152 V 2.9515 7.1121 117.4853 65.8661 31.3633 177.9200 153 R 3.9178 7.9871 118.3837 59.4818 29.7382 178.1826 154 F 3.5033 8.2886 119.7062 60.9545 39.1781 176.7073 155 I 3.7636 7.3516 118.0589 63.5012 37.2314 177.4541 156 E 4.2467 8.2996 118.2999 57.4156 30.2965 177.3257 157 A 4.1175 7.5317 121.0000 52.0420 19.1142 177.0734 158 E 4.0132 8.9520 123.2315 58.1997 29.9885 177.0326 159 K 4.4669 7.7721 118.7499 54.1725 34.2973 174.6515 160 F 4.6794 8.9832 129.3560 56.9978 39.8778 175.4169 161 V 3.5746 7.9551 126.6557 62.5156 30.5024 170.7923 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 30 A 8.26 4.36 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.59 3.97 0.00 2.34 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 2.26 2.39 0.00 32 P 0.00 4.33 0.00 2.19 2.20 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 33 E 7.28 4.81 0.00 1.97 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 2.24 2.25 0.00 34 N 8.55 4.80 0.00 2.72 2.72 0.00 0.00 6.77 7.45 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 35 F 8.51 4.97 0.00 3.10 3.08 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 36 L 8.46 4.59 0.00 1.39 1.46 0.64 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 37 E 9.42 4.88 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 38 I 8.14 5.13 1.89 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 1.31 0.84 0.96 0.00 0.00 39 E 9.18 4.99 0.00 2.07 1.69 0.00 0.00 0.00 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 2.49 0.00 40 V 8.97 5.11 2.25 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 1.00 0.00 0.00 1.19 0.00 0.00 41 H 9.55 4.66 0.00 3.28 3.44 0.00 5.47 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.79 4.30 0.00 2.48 2.65 0.00 0.00 6.85 7.69 0.00 0.00 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 P 0.00 4.43 0.00 1.94 2.05 0.00 3.79 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 1.97 2.07 0.00 44 K 8.55 4.41 0.00 1.47 1.34 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.69 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.42 7.81 45 T 8.26 4.61 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 0.95 0.00 0.00 46 H 8.84 4.31 0.00 2.34 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.04 4.02 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.31 0.84 0.00 0.00 48 P 0.00 4.45 0.00 2.17 2.21 0.00 3.63 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 1.95 1.95 0.00 49 N 8.77 4.78 0.00 2.71 2.88 0.00 0.00 6.72 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.45 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 0.00 0.00 0.00 51 M 8.58 4.19 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 52 D 7.79 4.86 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.40 4.40 0.00 4.00 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 54 K 8.51 4.01 0.00 1.88 1.83 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.48 7.81 55 G 8.47 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 0.00 0.00 0.00 56 M 8.71 4.50 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.26 0.00 57 F 8.30 5.47 0.00 3.34 3.20 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 58 T 9.15 5.62 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 1.50 0.00 0.00 59 D 8.32 5.31 0.00 2.99 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 60 Y 9.52 5.06 0.00 3.14 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 61 E 9.09 4.90 0.00 2.06 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 2.35 2.44 0.00 62 I 9.14 5.03 1.78 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.93 0.00 0.00 63 I 8.73 5.00 1.95 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 1.14 1.52 0.97 0.00 0.00 64 C 9.19 5.40 0.00 2.98 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 65 R 8.68 5.14 0.00 2.02 2.01 0.00 3.30 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 1.58 1.58 0.00 66 T 8.45 3.70 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 67 N 6.99 4.95 0.00 2.76 2.73 0.00 0.00 6.97 7.52 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 68 L 7.44 4.03 0.00 1.74 1.76 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.37 0.00 2.18 2.20 0.00 3.77 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 2.01 1.97 0.00 70 S 8.09 4.22 0.00 3.88 4.02 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 71 F 8.07 4.36 0.00 3.07 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 72 H 9.45 4.84 0.00 3.12 3.35 0.00 5.66 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 73 K 7.73 4.68 0.00 1.84 1.77 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.63 7.81 74 R 8.73 4.46 0.00 1.94 1.98 0.00 3.22 0.00 0.00 3.27 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 75 V 7.75 4.94 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 0.90 0.00 0.00 0.96 0.00 0.00 76 S 9.14 4.77 0.00 3.78 3.86 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 0.00 0.00 0.00 77 K 8.74 4.94 0.00 1.72 1.67 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.47 7.81 78 V 8.71 4.66 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 0.82 0.00 0.00 0.78 0.00 0.00 79 R 8.51 5.24 0.00 1.72 2.05 0.00 3.21 0.00 0.00 3.63 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 80 R 9.43 4.92 0.00 1.65 1.63 0.00 2.93 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.63 0.00 81 R 9.76 4.90 0.00 2.07 2.13 0.00 3.17 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.75 0.00 82 Y 9.16 4.27 0.00 3.16 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 83 S 8.36 4.68 0.00 4.20 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 0.00 84 D 8.48 4.71 0.00 3.11 3.09 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 85 F 8.40 3.96 0.00 2.83 2.61 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 86 E 8.06 3.80 0.00 2.26 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 2.17 2.03 0.00 87 F 8.36 4.35 0.00 3.16 3.57 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 88 F 8.55 4.37 0.00 1.91 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 89 R 8.11 3.83 0.00 1.89 1.95 0.00 3.10 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 90 K 7.45 4.01 0.00 1.85 1.70 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.61 7.81 *92 L 7.80 3.99 0.00 0.91 1.38 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.72 3.60 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 0.87 0.00 0.00 94 K 7.91 3.91 0.00 1.78 1.72 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.41 7.81 95 E 8.01 3.90 0.00 2.04 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 0.00 2.35 2.38 0.00 96 I 8.00 3.68 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.30 0.89 0.00 0.00 97 S 7.83 4.18 0.00 4.02 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 98 M 7.50 4.12 0.00 1.95 2.28 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 2.78 2.55 0.00 99 L 7.91 4.11 0.00 1.77 1.69 0.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.68 4.11 0.00 2.72 2.81 0.00 0.00 6.69 8.87 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 0.00 101 H 7.85 5.01 0.00 3.20 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.41 0.00 2.17 2.17 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 103 K 7.66 4.41 0.00 1.74 1.87 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.39 7.81 104 V 7.64 3.68 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 0.58 0.00 0.00 0.83 0.00 0.00 105 M 8.43 4.66 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 106 V 8.11 4.12 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 0.85 0.00 0.00 0.82 0.00 0.00 107 P 0.00 4.50 0.00 2.26 2.06 0.00 3.56 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 1.91 2.09 0.00 108 H 8.56 4.51 0.00 3.19 3.22 0.00 5.71 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 0.00 109 L 8.13 3.39 0.00 1.34 1.30 0.25 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.45 0.00 2.15 1.99 0.00 3.48 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 2.37 2.16 0.00 111 G 8.62 4.02 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 0.00 0.00 0.00 112 K 7.49 4.43 0.00 1.90 1.90 0.00 1.67 0.00 0.00 1.52 0.00 0.00 3.22 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.63 1.61 7.81 113 I 7.50 3.75 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.88 0.00 0.00 114 L 8.18 4.56 0.00 1.42 1.41 0.73 0.71 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 0.00 115 L 8.57 4.68 0.00 1.54 1.55 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 116 S 7.59 4.70 0.00 3.79 3.63 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 0.00 117 N 8.66 4.24 0.00 2.80 2.72 0.00 0.00 6.64 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.52 3.67 0.00 1.57 1.78 0.00 2.32 0.00 0.00 2.65 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 119 F 7.70 4.83 0.00 3.08 3.05 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 0.00 120 S 8.07 4.44 0.00 4.10 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 0.00 121 N 8.72 4.37 0.00 2.80 2.92 0.00 0.00 6.94 7.66 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 0.00 122 E 8.24 3.94 0.00 2.00 2.00 0.00 0.00 0.00 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 2.39 0.00 123 V 7.62 3.54 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 1.01 0.00 0.00 0.90 0.00 0.00 124 I 7.77 3.83 1.92 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 1.47 0.72 0.96 0.00 0.00 125 E 8.61 4.02 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 2.33 2.42 0.00 126 E 8.30 3.99 0.00 2.20 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 2.33 2.62 0.00 127 R 8.37 3.81 0.00 2.07 1.74 0.00 2.99 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 128 R 8.38 3.89 0.00 2.22 2.18 0.00 3.21 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 129 Q 8.28 4.10 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 130 G 8.20 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 0.00 131 L 8.41 3.84 0.00 1.45 1.12 -0.22 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.38 4.37 0.00 3.13 3.03 0.00 0.00 7.19 7.46 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 0.00 133 T 7.97 3.92 4.46 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 1.27 0.00 0.00 134 W 8.60 4.09 0.00 3.47 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 0.00 135 M 8.86 4.17 0.00 2.35 2.60 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.95 0.00 136 Q 8.29 4.18 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 137 S 7.75 3.99 0.00 3.90 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 0.00 138 V 7.64 3.43 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 0.74 0.00 0.00 -0.30 0.00 0.00 139 A 8.30 4.15 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 0.00 140 G 7.60 3.76 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 0.00 0.00 0.00 141 H 8.02 4.21 0.00 3.19 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.24 0.00 2.15 2.08 0.00 3.32 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 143 L 8.06 4.06 0.00 1.61 1.58 0.75 0.65 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 0.00 144 L 7.89 4.01 0.00 1.81 1.71 0.85 0.88 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 0.00 145 Q 8.22 4.17 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 146 S 8.01 4.57 0.00 4.08 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 0.00 147 G 8.10 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 0.00 148 S 8.15 4.75 0.00 3.87 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 0.00 149 K 9.54 3.92 0.00 1.89 1.84 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.58 7.81 150 V 8.09 3.78 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 1.41 0.00 0.00 1.03 0.00 0.00 151 L 8.12 4.22 0.00 1.88 1.81 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.11 2.95 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 0.62 0.00 0.00 0.16 0.00 0.00 153 R 7.99 3.92 0.00 2.04 2.29 0.00 3.23 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 1.95 1.76 0.00 154 F 8.29 3.50 0.00 2.07 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.35 3.76 2.17 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.78 1.03 0.00 0.00 156 E 8.30 4.25 0.00 2.02 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 0.00 2.44 2.56 0.00 157 A 7.53 4.12 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 0.00 158 E 8.95 4.01 0.00 1.95 2.00 0.00 0.00 0.00 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 2.31 0.00 159 K 7.77 4.47 0.00 1.71 1.65 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.39 7.81 160 F 8.98 4.68 0.00 2.93 3.09 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 0.00 161 V 7.96 3.57 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 0.59 0.00 0.00 0.77 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.