NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 E 4.3249 8.4449 120.2290 55.7951 30.4438 178.1207 30 N 4.1654 9.4299 119.6927 51.9060 39.5831 172.3632 31 P 4.7354 0.0000 0.0000 62.2126 33.4325 175.6591 32 A 4.1386 8.7046 123.2572 51.2174 19.2222 175.7837 33 P 4.1550 0.0000 0.0000 63.1107 31.7257 176.0363 34 D 4.4917 8.7801 124.6028 54.0555 42.3476 174.6609 35 F 5.0914 7.4239 118.2900 56.0893 41.9756 172.8727 36 T 5.1781 8.5975 114.8907 62.0371 71.4562 173.5943 37 L 4.9657 8.8318 125.1984 52.8910 46.8599 175.8896 38 N 5.1450 8.8003 118.0528 53.6008 40.2355 174.5610 39 T 5.0191 8.1137 110.4822 58.7229 71.3853 175.3355 40 L 4.0699 8.5144 120.3993 57.1691 41.6151 178.0614 41 N 4.8292 8.2079 114.8160 52.8892 38.7528 175.5084 42 G 3.9012 8.1329 105.7499 45.3852 0.0000 173.3882 43 E 4.6069 7.7845 120.2118 54.8531 31.7250 175.2332 44 V 4.9202 8.2450 117.4591 59.8102 34.8692 175.2796 45 V 4.4335 8.6265 121.5704 61.0962 33.8714 173.9881 46 K 4.7745 8.4133 128.2382 54.4027 34.6824 176.5611 47 L 3.9822 7.9556 128.7191 58.1065 42.6404 178.9367 48 S 4.0633 8.0264 114.9621 61.9238 62.7440 176.4024 49 D 4.4670 7.2945 117.5895 56.2556 40.7433 177.0932 50 L 4.4868 7.7988 118.8019 53.8606 42.1660 176.4296 51 K 4.0987 7.5803 118.9574 58.3581 32.3773 177.3858 52 G 3.9800 9.3072 111.0895 45.1245 0.0000 173.1268 53 Q 4.8459 7.8786 117.8341 53.7807 33.3363 174.6152 54 V 4.3120 8.2650 121.5582 62.4323 32.9425 175.0575 55 V 4.6834 8.6757 127.2905 60.9947 34.8699 173.9293 56 I 4.8863 7.9117 127.0881 59.4231 39.6161 175.0627 57 V 4.2785 8.7989 127.1927 61.0534 33.8340 173.6225 58 N 5.2852 8.6760 127.0178 51.7854 41.6788 172.8052 59 F 5.3360 9.3665 125.7569 56.0876 41.1197 174.9798 60 W 5.1736 8.6434 118.6470 55.7558 32.0091 173.0074 61 A 3.9619 7.9346 120.6018 50.0196 21.6019 177.1903 62 T 3.1744 8.0615 117.3267 66.0378 68.5458 175.5598 63 W 4.5002 6.8388 114.7514 56.6264 28.9005 176.8094 64 C 4.8034 7.4922 120.4268 54.9918 42.9405 171.9465 65 P 4.2850 0.0000 0.0000 65.2853 30.9228 176.8532 66 P 4.5209 0.0000 0.0000 65.6550 31.5368 178.9876 67 C 4.4752 8.2524 114.9997 60.3219 38.4937 176.0473 68 R 4.1030 7.9057 119.3005 59.4389 29.4535 178.8653 69 E 3.9596 8.1212 117.7219 59.5126 29.9307 178.9649 70 E 4.2503 8.0945 116.1313 58.3309 29.7062 178.7439 71 I 3.4957 6.9220 120.5006 63.9987 37.2373 175.1329 72 P 4.1022 0.0000 0.0000 65.6106 31.3360 177.7787 73 S 4.3272 7.4180 113.0005 58.3537 60.4166 174.2998 *76 R 4.2062 7.9925 127.1634 56.7947 32.5039 177.8105 77 L 4.0235 7.7960 119.3032 58.0260 41.8892 178.1699 78 N 4.1855 8.0824 114.7810 56.9371 38.9810 176.0912 79 A 4.0842 7.9725 119.5972 54.6702 18.7331 178.0707 80 A 4.1565 7.5405 119.1648 51.1755 18.9361 177.5405 *82 A 3.8651 7.6814 124.4777 54.2163 19.7780 178.1349 83 G 4.2316 8.8983 110.1282 46.1760 0.0000 173.1564 84 K 4.5676 7.1865 118.1579 53.5531 35.0402 175.1274 85 P 4.7471 0.0000 0.0000 62.9825 29.2464 175.8501 86 F 5.2155 7.9618 120.2032 57.5647 42.8162 174.6937 87 R 4.6090 7.7494 125.6845 54.4405 34.2437 173.7418 *89 L 4.2088 8.3590 119.4689 55.9570 43.5433 176.0861 90 C 4.8270 8.6592 123.2846 58.1206 29.2066 172.6177 91 V 4.2135 8.7168 125.4355 62.0728 32.3473 174.6364 92 S 3.6658 8.5690 124.0198 56.8883 63.4855 173.9448 93 I 4.3934 7.7366 120.2972 60.7267 38.6019 175.4706 94 D 4.4154 7.5610 124.2385 54.6023 40.8394 177.1258 95 E 3.9287 9.1132 125.5556 58.9811 29.9231 177.4576 96 G 3.9311 8.2520 106.3305 44.3772 0.0000 174.5442 97 G 3.7763 7.6846 109.8290 45.6082 0.0000 176.1448 98 K 3.8463 8.7140 120.3965 59.4267 32.0363 178.6002 99 V 3.5437 7.7932 117.6280 65.9832 31.5485 177.3409 100 A 3.9759 7.8149 120.2611 55.4901 18.1524 179.7605 101 V 3.4561 7.7108 116.4066 66.1249 31.4017 177.8419 102 E 3.9952 8.5411 119.3933 59.0984 29.4545 178.5978 103 E 4.0412 8.5195 119.1147 59.0710 28.9589 179.0944 104 F 4.2658 8.1235 120.6455 61.5143 39.5084 177.2402 105 F 4.4048 8.4190 117.7161 60.6263 38.4043 177.6970 106 R 3.8975 7.6220 117.5606 59.0483 30.0205 178.0860 107 K 4.2091 7.7062 115.8989 57.5091 32.4815 178.0082 108 T 4.0465 7.0538 107.9920 60.2269 69.9431 174.7339 109 G 3.6769 7.9689 109.0722 46.4801 0.0000 173.5982 110 F 4.8161 7.1544 117.3024 56.6009 40.4094 175.4760 111 T 3.1469 7.4431 114.2764 60.9803 69.8100 172.4863 112 L 4.4089 7.5663 126.4906 52.5234 45.9729 173.7483 113 P 4.4842 0.0000 0.0000 63.1416 31.3827 174.9528 114 V 5.0376 8.4532 125.3557 61.2573 34.1239 174.3364 115 L 5.0221 8.6304 126.4295 53.0516 45.1214 175.1018 116 L 4.8818 8.2847 121.0636 52.6806 43.9220 176.3332 117 D 4.7390 8.3333 122.0674 53.2998 41.9136 177.2513 118 A 3.8544 8.4631 122.9193 55.2344 18.3981 178.8895 119 D 4.5812 8.0156 111.9014 52.9666 39.7244 177.3206 120 K 3.9441 8.9997 118.9005 57.3940 30.9702 177.5045 121 R 3.8696 7.9930 119.6027 59.5161 30.0099 178.5715 122 V 3.7497 8.5763 118.3277 65.5808 31.5058 178.0058 123 G 3.2019 8.1016 105.2355 47.9078 0.0000 175.7559 124 K 3.9721 8.2879 121.6352 58.8280 31.7603 179.1852 125 L 4.0914 7.4739 120.0271 57.6178 42.0708 177.4632 126 Y 4.0320 7.7755 114.3597 56.6480 37.9029 175.3984 127 G 4.0234 7.7631 107.3674 46.4029 0.0000 174.4355 128 T 4.3598 8.0381 109.2878 61.1618 69.0966 174.1877 129 T 4.3920 7.9153 112.6800 61.5982 69.9902 173.8968 130 G 4.1339 7.4035 108.7982 45.6511 0.0000 172.5964 131 V 4.6076 8.1409 111.0247 58.7700 35.4834 173.7184 132 P 5.0545 0.0000 0.0000 61.9415 32.7457 174.9454 133 E 5.1208 8.9381 123.8786 54.9520 33.2430 173.9528 134 T 5.0938 9.1147 122.8252 61.8617 72.8429 172.7323 135 F 5.3895 9.5860 124.5580 55.7830 42.2706 174.3079 136 V 4.8740 9.2301 123.9650 61.4793 33.7947 174.5135 137 I 5.2091 8.6562 127.7047 59.5049 41.1067 175.1285 138 D 5.0565 9.4152 127.0745 52.2629 40.9083 177.4451 139 R 4.4787 8.6074 114.2831 58.7659 29.1119 177.6141 140 H 4.5306 8.2952 113.0065 55.6322 29.1332 175.5541 141 G 3.8553 8.7158 108.8549 45.9995 0.0000 173.2664 142 V 4.4871 8.1730 119.3240 60.7137 32.9001 175.3754 143 I 4.4395 8.2982 127.1715 61.4913 37.5786 175.3954 144 L 4.7766 9.2618 127.0086 55.8173 44.5751 176.4926 145 K 4.6634 7.9926 118.2392 54.9962 35.7870 174.1683 146 K 4.8058 8.7527 128.0757 54.4895 34.5821 174.9651 147 V 4.4265 8.6742 127.1976 61.0062 34.5119 174.0012 148 V 4.4401 8.7445 127.5012 62.3641 33.2529 175.7758 149 G 3.8814 9.0304 113.4793 44.5031 0.0000 172.1543 150 A 4.5919 7.8157 121.2242 51.2202 19.3647 177.0738 *152 E 3.9086 8.3752 117.1621 56.2377 29.4143 177.1295 153 W 4.3742 8.7769 125.0827 58.3867 29.4829 177.8268 154 D 4.5849 8.0212 116.2074 54.7228 39.6175 176.9659 155 H 4.3819 7.6192 118.1236 55.3651 30.4253 174.0943 156 P 4.2639 0.0000 0.0000 66.0887 30.9129 178.6832 157 E 3.9831 8.1816 116.5974 59.3726 29.3089 179.4901 158 V 3.7623 7.7417 117.5620 66.2304 31.7094 177.7659 159 I 3.6837 7.8331 119.3564 64.6283 36.9547 178.3170 160 A 4.0234 8.1673 121.4424 54.8096 18.1719 179.5773 161 F 4.2424 7.9803 119.0781 61.6625 39.6807 177.4839 162 L 3.7799 8.3021 118.8373 57.7856 41.5108 179.2692 163 N 4.3249 8.4968 116.8387 56.3052 38.2172 176.9611 164 N 4.3163 7.9678 117.6955 56.5839 39.0970 176.3143 165 E 3.9472 7.8871 120.0112 58.7487 29.8085 178.1229 166 L 4.1392 7.6984 120.4489 57.5950 41.9830 178.6144 167 S 4.2504 7.7720 112.7554 60.1518 62.8410 174.5119 168 K 4.4617 7.4092 121.6864 56.2370 32.4319 176.5689 169 A 4.1368 8.0659 124.2106 52.7691 19.1129 179.3910 170 R 4.2538 8.3316 119.4208 56.3440 30.5781 173.4498 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 29 E 8.44 4.32 0.00 1.98 1.66 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 2.22 2.29 0.00 30 N 9.43 4.17 0.00 2.79 2.76 0.00 0.00 6.84 7.13 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 31 P 0.00 4.74 0.00 2.06 2.05 0.00 3.76 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 1.97 1.96 0.00 32 A 8.70 4.14 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 33 P 0.00 4.16 0.00 1.80 1.93 0.00 3.05 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.78 0.00 34 D 8.78 4.49 0.00 2.58 2.55 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 35 F 7.42 5.09 0.00 3.20 3.19 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 0.00 36 T 8.60 5.18 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 37 L 8.83 4.97 0.00 1.67 1.52 0.67 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.80 5.14 0.00 2.66 2.75 0.00 0.00 6.44 7.05 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 39 T 8.11 5.02 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 40 L 8.51 4.07 0.00 1.74 1.85 1.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.21 4.83 0.00 2.73 2.81 0.00 0.00 7.10 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.13 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 0.00 0.00 0.00 43 E 7.78 4.61 0.00 2.07 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 2.32 2.33 0.00 44 V 8.25 4.92 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 0.75 0.00 0.00 0.94 0.00 0.00 45 V 8.63 4.43 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 0.91 0.00 0.00 0.94 0.00 0.00 46 K 8.41 4.77 0.00 1.77 1.54 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.26 7.81 47 L 7.96 3.98 0.00 0.85 1.21 0.84 0.61 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 48 S 8.03 4.06 0.00 3.80 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 49 D 7.29 4.47 0.00 2.99 2.69 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 0.00 0.00 0.00 50 L 7.80 4.49 0.00 1.86 1.59 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.58 4.10 0.00 2.00 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.29 7.81 52 G 9.31 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 0.00 0.00 0.00 53 Q 7.88 4.85 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 54 V 8.26 4.31 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 0.95 0.00 0.00 0.92 0.00 0.00 55 V 8.68 4.68 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 0.84 0.00 0.00 0.83 0.00 0.00 56 I 7.91 4.89 1.68 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.65 0.00 0.00 57 V 8.80 4.28 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 0.26 0.00 0.00 0.97 0.00 0.00 58 N 8.68 5.29 0.00 2.57 2.39 0.00 0.00 6.70 7.57 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 59 F 9.37 5.34 0.00 3.12 2.93 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 60 W 8.64 5.17 0.00 3.36 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 61 A 7.93 3.96 -0.29 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 62 T 8.06 3.17 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 1.20 0.00 0.00 63 W 6.84 4.50 0.00 3.44 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.49 4.80 0.00 2.64 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 65 P 0.00 4.29 0.00 2.27 2.16 0.00 3.79 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 66 P 0.00 4.52 0.00 2.08 2.18 0.00 3.77 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 2.09 2.24 0.00 67 C 8.25 4.48 0.00 3.20 3.28 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 68 R 7.91 4.10 0.00 1.98 2.34 0.00 3.31 0.00 0.00 3.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.99 0.00 69 E 8.12 3.96 0.00 2.21 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 2.41 2.46 0.00 70 E 8.09 4.25 0.00 2.48 2.33 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 2.58 2.38 0.00 71 I 6.92 3.50 1.64 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.09 0.00 0.00 72 P 0.00 4.10 0.00 1.95 2.03 0.00 3.70 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.86 0.00 73 S 7.42 4.33 0.00 4.34 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 R 7.99 4.21 0.00 1.83 2.05 0.00 3.19 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.80 0.00 77 L 7.80 4.02 0.00 1.84 1.66 0.93 0.91 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 78 N 8.08 4.19 0.00 2.73 2.81 0.00 0.00 6.91 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 79 A 7.97 4.08 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 80 A 7.54 4.16 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 *82 A 7.68 3.87 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 83 G 8.90 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 0.00 0.00 0.00 0.00 84 K 7.19 4.57 0.00 1.59 1.74 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.48 7.81 85 P 0.00 4.75 0.00 2.13 2.24 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 86 F 7.96 5.22 0.00 3.01 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 87 R 7.75 4.61 0.00 1.52 1.65 0.00 3.34 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 *89 L 8.36 4.21 0.00 1.54 1.63 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.66 4.83 0.00 3.07 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 91 V 8.72 4.21 1.51 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 0.77 0.00 0.00 0.46 0.00 0.00 92 S 8.57 3.67 0.00 2.76 3.36 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 93 I 7.74 4.39 1.84 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 1.18 0.60 0.93 0.00 0.00 94 D 7.56 4.42 0.00 2.50 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 9.11 3.93 0.00 1.94 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 2.29 2.32 0.00 96 G 8.25 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 0.00 0.00 0.00 97 G 7.68 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 98 K 8.71 3.85 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.52 7.81 99 V 7.79 3.54 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 1.10 0.00 0.00 0.93 0.00 0.00 100 A 7.81 3.98 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 0.00 101 V 7.71 3.46 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 0.68 0.00 0.00 0.77 0.00 0.00 102 E 8.54 4.00 0.00 2.34 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 2.35 2.46 0.00 103 E 8.52 4.04 0.00 2.09 2.03 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 2.53 2.50 0.00 104 F 8.12 4.27 0.00 3.19 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 0.00 105 F 8.42 4.40 0.00 3.07 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 0.00 106 R 7.62 3.90 0.00 1.99 2.19 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 107 K 7.71 4.21 0.00 1.84 1.79 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 108 T 7.05 4.05 2.69 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 0.00 0.00 0.60 0.00 0.00 109 G 7.97 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 7.15 4.82 0.00 2.85 2.52 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 0.00 111 T 7.44 3.15 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 112 L 7.57 4.41 0.00 1.63 1.42 0.55 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.48 0.00 2.11 2.24 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 114 V 8.45 5.04 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 1.18 0.00 0.00 1.41 0.00 0.00 115 L 8.63 5.02 0.00 1.59 1.52 1.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.28 4.88 0.00 1.51 1.52 0.94 0.95 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 0.00 117 D 8.33 4.74 0.00 2.58 2.47 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 0.00 118 A 8.46 3.85 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.02 4.58 0.00 2.79 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 0.00 120 K 9.00 3.94 0.00 1.92 1.95 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.35 1.51 7.81 121 R 7.99 3.87 0.00 1.99 2.03 0.00 3.21 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 122 V 8.58 3.75 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 0.55 0.00 0.00 0.89 0.00 0.00 123 G 8.10 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 0.00 0.00 0.00 124 K 8.29 3.97 0.00 1.93 1.86 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.61 7.81 125 L 7.47 4.09 0.00 1.85 2.08 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.78 4.03 0.00 2.56 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 0.00 127 G 7.76 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 0.00 128 T 8.04 4.36 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 129 T 7.92 4.39 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 130 G 7.40 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 0.00 0.00 0.00 131 V 8.14 4.61 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 0.79 0.00 0.00 0.78 0.00 0.00 132 P 0.00 5.05 0.00 2.20 2.32 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.00 0.00 133 E 8.94 5.12 0.00 2.11 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 2.28 2.32 0.00 134 T 9.11 5.09 4.47 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 1.00 0.00 0.00 135 F 9.59 5.39 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 0.00 136 V 9.23 4.87 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 1.15 0.00 0.00 1.23 0.00 0.00 137 I 8.66 5.21 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.97 0.00 0.00 138 D 9.42 5.06 0.00 2.75 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 0.00 139 R 8.61 4.48 0.00 1.94 2.19 0.00 3.04 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.34 0.00 140 H 8.30 4.53 0.00 3.31 3.35 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.72 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 0.00 0.00 0.00 142 V 8.17 4.49 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 0.89 0.00 0.00 0.97 0.00 0.00 143 I 8.30 4.44 2.00 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 1.53 0.75 1.24 0.00 0.00 144 L 9.26 4.78 0.00 1.68 1.95 1.07 0.97 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 0.00 145 K 7.99 4.66 0.00 1.96 1.80 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.61 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.50 1.44 7.81 146 K 8.75 4.81 0.00 1.65 1.60 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.59 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.10 0.69 7.81 147 V 8.67 4.43 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 0.97 0.00 0.00 0.99 0.00 0.00 148 V 8.74 4.44 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 0.87 0.00 0.00 0.91 0.00 0.00 149 G 9.03 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 0.00 0.00 0.00 150 A 7.82 4.59 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 *152 E 8.38 3.91 0.00 1.45 1.77 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 2.15 2.15 0.00 153 W 8.78 4.37 0.00 3.38 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.02 4.58 0.00 2.79 2.80 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 0.00 155 H 7.62 4.38 0.00 3.36 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.26 0.00 2.14 2.12 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 157 E 8.18 3.98 0.00 2.08 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 2.40 1.94 0.00 158 V 7.74 3.76 2.42 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 1.46 0.00 0.00 0.89 0.00 0.00 159 I 7.83 3.68 2.00 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 1.68 0.83 0.89 0.00 0.00 160 A 8.17 4.02 1.43 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 0.00 0.00 161 F 7.98 4.24 0.00 3.10 3.32 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 0.00 162 L 8.30 3.78 0.00 1.74 1.73 1.13 1.16 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 0.00 163 N 8.50 4.32 0.00 2.70 2.85 0.00 0.00 6.64 7.22 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 0.00 164 N 7.97 4.32 0.00 2.83 2.99 0.00 0.00 7.20 7.63 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 0.00 165 E 7.89 3.95 0.00 1.62 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 2.11 2.24 0.00 166 L 7.70 4.14 0.00 2.08 1.62 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.77 4.25 0.00 4.09 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 0.00 168 K 7.41 4.46 0.00 1.69 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.51 7.81 169 A 8.07 4.14 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 0.00 170 R 8.33 4.25 0.00 1.78 1.63 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 * Residues marked with a * may have inaccurate shift predictions.