NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 Q 4.2979 8.3449 118.8210 55.7102 30.1854 175.2332 30 L 4.0988 7.9320 117.5325 55.6169 42.9982 175.8490 31 I 4.2517 8.9447 123.2868 59.7333 39.7849 174.0893 32 N 5.0424 8.6529 127.3848 51.3865 39.4038 172.9353 33 P 4.4797 0.0000 0.0000 62.6844 33.0924 177.3932 34 G 3.7057 7.7744 108.5309 47.8114 0.0000 174.8738 35 H 4.3225 8.8393 121.6273 55.3473 28.8308 175.0592 36 A 4.1781 7.7734 124.0326 52.9327 18.6643 177.6218 37 Q 4.8449 9.1664 120.9625 55.0923 31.2257 175.5512 38 V 4.8761 7.6546 119.1929 60.7851 34.9069 173.5897 39 L 4.9882 8.9009 130.0865 53.5586 44.1748 174.8389 40 I 4.6123 8.9810 127.9825 59.7240 39.4494 175.0914 41 L 4.4859 8.7179 129.5948 57.1060 42.4298 176.6090 42 G 4.1709 8.5962 110.4612 45.1137 0.0000 171.7765 *44 G 4.0688 8.1671 105.1629 45.4291 0.0000 173.3894 45 R 3.9543 8.5109 116.5771 59.2586 29.9315 178.9135 46 I 3.7510 7.7503 119.2902 64.4711 37.2273 178.4933 47 G 3.9301 7.9863 107.2625 47.5889 0.0000 175.6278 48 T 4.0190 8.1722 118.0857 66.4196 68.4440 177.0886 49 G 3.6230 8.2190 107.5152 47.6062 0.0000 175.6363 50 A 4.0013 8.2921 123.2252 55.0684 18.3878 178.8082 51 Y 3.8898 8.3830 118.5008 61.2683 38.8443 178.4227 52 D 4.5290 8.5656 119.6774 57.2359 40.7309 178.3780 53 E 3.9552 8.4709 120.0033 59.2869 29.6990 178.8721 54 L 4.1530 8.3465 119.4495 57.8667 41.6967 179.3895 55 R 4.4681 8.5484 120.1007 58.9149 29.7426 178.3605 56 A 3.9673 7.9395 119.5468 54.8644 18.4042 178.9957 57 R 3.9069 7.4672 115.8144 58.1605 30.5541 177.1588 58 Y 4.7304 8.2712 112.9019 58.5852 40.2234 177.2981 59 G 3.7963 8.4960 108.7155 44.8101 0.0000 173.0576 60 K 4.2992 8.3482 116.2860 55.2947 30.6407 177.2703 61 I 4.4146 7.4880 112.5239 60.2959 39.5786 176.0900 62 S 5.2553 7.8001 118.2217 56.7452 66.0789 173.0818 63 L 4.9173 8.8627 124.2224 53.4111 44.7715 175.4621 64 G 4.3879 9.2928 114.3362 45.1788 0.0000 172.2236 65 I 5.0221 8.6394 124.2447 59.1635 40.3901 174.3854 66 E 4.7327 8.7708 127.2562 54.4774 32.3094 176.1510 67 I 3.7408 8.4709 126.5687 63.0111 38.5683 176.2406 68 R 4.2032 8.3180 120.4099 55.0840 30.1516 176.7369 69 E 3.9528 8.7553 125.2193 59.4748 29.4834 179.3024 70 E 3.9201 8.1241 116.8320 59.3388 29.6971 178.8942 71 A 3.8749 7.9382 121.0736 54.6610 18.4398 179.3357 72 A 3.9208 8.3426 119.7783 55.2925 18.4122 179.5668 73 Q 3.8621 8.2983 118.3942 59.3361 29.0934 178.3082 74 Q 3.8852 8.2795 120.7268 59.5248 29.1129 177.8308 75 H 4.0979 8.3069 117.4139 59.1859 28.7091 177.9742 76 R 4.2326 8.4633 121.3009 58.6857 29.6528 179.2675 77 S 4.1677 8.1954 113.2337 60.7521 63.0396 175.3557 78 E 4.3902 7.6649 119.8778 56.0595 29.5621 177.0386 79 G 3.9856 8.2001 108.2713 44.9069 0.0000 173.9821 80 R 4.2241 7.7868 119.4295 55.5757 31.8448 176.0374 81 N 4.9050 9.2815 121.2624 52.5870 38.7409 173.7418 82 V 4.9689 8.1034 122.7235 60.7880 34.6834 174.3111 83 I 4.7762 8.6624 120.9927 58.9387 40.7255 174.9268 84 S 5.4676 8.1239 118.0990 56.8678 64.2048 173.5588 85 G 3.8382 7.6182 110.7463 46.4465 0.0000 170.9729 86 D 4.8999 7.3815 120.2149 52.0157 41.9526 176.6660 87 A 3.9554 8.2877 129.1493 53.8595 18.5368 177.8346 88 T 4.3050 8.2102 105.2803 61.9449 69.9012 174.2065 89 D 4.8446 8.2759 124.1912 52.1564 42.2535 174.8506 90 P 4.8126 0.0000 0.0000 65.8186 30.6801 178.1277 91 D 4.4544 8.5198 117.6956 56.7955 40.9547 178.1609 92 F 4.2192 8.2260 121.0018 61.2518 39.6026 177.3782 93 W 3.9786 8.3220 117.7115 59.4499 28.6299 178.0673 94 E 4.1504 7.8798 117.2775 58.8199 29.1895 178.8286 95 R 4.0776 7.7477 117.7830 56.7684 30.0484 176.0321 96 I 4.4062 6.6208 119.9989 59.5992 37.8608 175.7322 97 L 4.0920 8.5582 126.4236 54.8228 41.8055 178.2472 98 D 4.4705 8.7441 123.8077 56.8063 41.1338 176.9111 99 T 4.1647 7.3372 110.4596 59.9498 69.5374 174.4961 100 G 4.5516 7.9320 119.7426 46.2429 0.0000 171.4589 101 H 4.6809 8.3085 119.7041 55.6077 28.9468 174.9996 102 V 4.1741 7.9227 120.3905 63.1222 31.5373 175.5101 103 K 4.6357 9.1860 126.8178 56.5215 34.6569 175.9665 104 L 5.1980 7.8760 122.0198 53.4702 45.7585 174.4914 105 V 4.7745 8.8884 126.0391 61.1180 34.2784 173.9292 106 L 4.9858 8.9046 128.3077 53.2924 43.3664 175.7218 107 L 4.6601 9.1719 125.5683 53.7222 42.2965 175.9361 108 A 4.7034 8.8599 127.0632 49.4077 20.6096 174.4069 *110 P 4.3477 0.0000 0.0000 62.8477 33.7468 176.3742 111 H 4.9519 7.8078 119.2724 54.1134 32.1457 173.4131 112 H 4.1320 8.9588 126.1898 59.6673 29.6924 177.0658 113 Q 3.9778 7.8560 120.6678 58.7747 28.7390 178.2283 114 G 3.6822 7.8723 106.7434 47.9081 0.0000 175.3876 115 N 4.3710 8.0826 118.4843 56.0678 38.5862 177.3935 116 Q 3.9548 7.7712 119.2078 59.3325 28.8169 179.0103 117 T 3.8634 8.3610 116.9586 66.4056 68.4443 176.6120 118 A 4.2118 8.3680 123.1407 55.1160 18.4369 179.2961 119 L 3.7877 7.9740 118.7389 58.4673 42.1650 178.9900 120 E 3.9059 8.0472 118.3343 59.5737 29.1505 179.5141 121 Q 3.7354 7.7336 117.9698 58.7337 28.7982 178.5391 122 L 3.3191 7.2022 121.2832 57.9220 42.0425 179.0643 123 Q 4.0370 8.0802 118.4520 58.4348 28.4799 177.9614 124 R 4.2595 7.7705 114.6580 57.2927 29.9719 177.6240 125 R 4.3691 7.3006 118.0572 55.1180 30.4724 175.4919 126 N 4.1811 7.9661 114.8707 53.8262 36.4102 174.0589 127 Y 4.2200 7.7221 118.0912 58.3261 39.2122 176.6037 128 K 4.1639 8.0669 124.8391 56.4632 34.0686 177.7864 129 G 3.6888 5.3800 110.2041 44.7989 0.0000 172.7473 130 Q 4.8935 8.5118 120.0796 54.9284 31.5514 175.1693 131 I 5.3435 9.2545 121.1066 59.7676 41.5982 174.3920 132 A 5.3759 9.2724 127.3941 50.2270 22.6183 174.7030 133 A 5.1853 8.7480 120.4180 50.3752 23.3427 174.9862 134 I 5.1770 8.0170 118.0602 59.6656 41.5596 174.1485 135 A 4.5587 8.6258 128.7413 51.3750 22.6652 176.6275 136 E 4.0978 8.9089 117.3721 58.6121 30.1232 177.8719 137 Y 5.0295 7.5474 114.3100 54.6495 43.1851 174.2509 138 P 4.3211 0.0000 0.0000 65.9796 31.4059 178.7514 139 D 4.4143 8.1475 117.3476 56.5882 39.2978 178.5309 140 Q 3.9531 8.0908 118.9433 58.6392 28.7347 178.6465 141 L 3.9737 7.8419 119.9408 57.7042 41.6884 179.0006 142 E 4.0035 8.6358 119.8615 59.3601 29.5605 179.0987 143 G 3.7137 8.4239 105.9500 47.4050 0.0000 175.6471 144 L 4.0226 8.1290 121.2857 57.5001 41.6902 179.4566 145 L 3.9632 8.0214 118.9208 58.0576 41.1440 179.4770 146 E 3.9977 8.5898 118.7092 59.4429 29.1895 179.0724 147 S 4.4848 7.7916 112.9747 58.5039 63.1534 174.4729 148 G 4.0077 7.3248 109.8915 45.3279 0.0000 174.7918 149 V 3.9757 7.6328 113.2520 61.0421 32.2600 176.0821 150 D 4.6858 8.7864 122.2234 56.6693 41.6671 177.0272 151 A 4.6211 7.7531 118.2737 50.1898 22.9063 175.0673 152 A 4.9186 7.7692 121.7917 50.2268 22.1602 175.4490 153 F 4.9901 9.0318 120.1822 55.5503 43.8193 173.4826 154 N 5.1295 8.7430 119.6412 52.7817 40.0673 175.5443 155 I 3.5222 8.8493 128.2589 65.0396 37.2280 178.2261 156 Y 4.1146 7.8824 117.0157 60.7329 37.7276 178.2806 157 S 4.1876 8.3681 115.7571 61.7083 62.9944 176.3566 158 E 3.9163 8.3550 120.9450 59.2658 29.1874 179.0668 159 A 4.1034 8.2045 121.0243 55.3818 18.4349 179.9839 160 G 3.7448 8.2068 104.0393 47.8812 0.0000 175.7305 161 S 4.2130 8.3551 115.8030 61.3036 62.4025 176.6746 162 G 3.5349 8.3453 108.4702 47.4596 0.0000 175.0342 163 F 4.4235 8.7815 123.3527 61.4763 39.3222 177.2050 164 A 3.6149 8.1249 119.8036 54.9669 18.2485 179.2178 165 R 3.7893 7.9598 117.2703 60.3187 30.0422 178.4780 166 H 4.3754 8.4968 116.0220 58.5677 28.6466 178.0502 167 V 3.5814 8.0247 120.4577 66.2560 31.2820 177.9290 168 C 4.1816 8.1402 116.4138 62.7264 27.7210 176.3499 169 K 3.9651 7.8965 119.1099 59.4278 31.7231 179.0009 170 Q 4.0606 8.2344 119.0732 59.3144 29.2207 177.9238 171 L 4.0857 8.4302 118.8856 54.8241 43.1551 176.8516 172 E 3.7667 8.2045 118.0672 56.5183 27.3165 173.3096 173 P 4.0186 0.0000 0.0000 62.7750 32.3620 177.4868 174 Q 4.1510 7.8831 120.0986 54.6202 27.8630 175.0851 175 F 4.9729 7.9004 120.7455 56.0269 41.1226 176.3746 176 T 4.3846 8.3268 119.7798 62.2055 68.1053 175.2279 177 S 4.3294 8.5634 123.5646 58.4254 63.6227 174.8522 178 I 4.1325 8.1551 124.2896 61.5190 37.5781 175.3355 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 Q 8.34 4.30 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 30 L 7.93 4.10 0.00 1.60 1.60 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.94 4.25 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.56 0.82 0.00 0.00 32 N 8.65 5.04 0.00 2.70 2.72 0.00 0.00 7.28 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 33 P 0.00 4.48 0.00 2.28 2.27 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 34 G 7.77 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.84 4.32 0.00 3.12 3.24 0.00 5.72 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 36 A 7.77 4.18 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 37 Q 9.17 4.84 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 38 V 7.65 4.88 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 1.10 0.00 0.00 0.86 0.00 0.00 39 L 8.90 4.99 0.00 1.81 1.53 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.98 4.61 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.97 0.00 0.00 41 L 8.72 4.49 0.00 1.65 1.66 1.21 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.60 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *44 G 8.17 4.07 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 0.00 45 R 8.51 3.95 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 46 I 7.75 3.75 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.54 0.90 0.00 0.00 47 G 7.99 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 48 T 8.17 4.02 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 1.23 0.00 0.00 49 G 8.22 3.62 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 0.00 0.00 0.00 50 A 8.29 4.00 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 51 Y 8.38 3.89 0.00 3.21 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 52 D 8.57 4.53 0.00 2.98 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 53 E 8.47 3.96 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 54 L 8.35 4.15 0.00 1.77 1.74 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.55 4.47 0.00 1.81 2.11 0.00 3.24 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 56 A 7.94 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.47 3.91 0.00 1.53 1.47 0.00 3.00 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 58 Y 8.27 4.73 0.00 3.00 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 59 G 8.50 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 60 K 8.35 4.30 0.00 1.73 1.76 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.51 7.81 61 I 7.49 4.41 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.93 1.01 0.00 0.00 62 S 7.80 5.26 0.00 3.09 3.67 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 63 L 8.86 4.92 0.00 1.75 1.51 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 64 G 9.29 4.39 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 0.00 65 I 8.64 5.02 1.74 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.90 0.39 0.00 0.00 66 E 8.77 4.73 0.00 2.00 1.68 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 2.20 2.42 0.00 67 I 8.47 3.74 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.61 0.87 0.00 0.00 68 R 8.32 4.20 0.00 1.93 1.85 0.00 3.17 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 69 E 8.76 3.95 0.00 1.99 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 2.38 2.36 0.00 70 E 8.12 3.92 0.00 2.21 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 0.00 2.34 2.41 0.00 71 A 7.94 3.87 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 72 A 8.34 3.92 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 73 Q 8.30 3.86 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 74 Q 8.28 3.89 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 75 H 8.31 4.10 0.00 3.31 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.46 4.23 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.47 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 77 S 8.20 4.17 0.00 4.00 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 78 E 7.66 4.39 0.00 2.06 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 2.28 2.36 0.00 79 G 8.20 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 0.00 0.00 0.00 80 R 7.79 4.22 0.00 1.67 1.09 0.00 2.75 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.43 0.00 81 N 9.28 4.91 0.00 2.96 2.86 0.00 0.00 6.29 7.36 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 82 V 8.10 4.97 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 0.83 0.00 0.00 0.64 0.00 0.00 83 I 8.66 4.78 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.92 0.00 0.00 84 S 8.12 5.47 0.00 3.86 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 85 G 7.62 3.84 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 0.00 0.00 0.00 86 D 7.38 4.90 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 3.96 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 88 T 8.21 4.30 4.30 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 1.30 0.00 0.00 89 D 8.28 4.84 0.00 2.76 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 90 P 0.00 4.81 0.00 2.38 2.40 0.00 4.01 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 91 D 8.52 4.45 0.00 2.89 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 92 F 8.23 4.22 0.00 3.08 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 93 W 8.32 3.98 0.00 3.63 3.27 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 94 E 7.88 4.15 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 95 R 7.75 4.08 0.00 1.67 1.89 0.00 3.09 0.00 0.00 3.06 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 96 I 6.62 4.41 1.90 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.24 0.87 0.00 0.00 97 L 8.56 4.09 0.00 1.74 1.60 1.03 0.81 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 98 D 8.74 4.47 0.00 2.68 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 99 T 7.34 4.16 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 0.00 100 G 7.93 4.55 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 0.00 101 H 8.31 4.68 0.00 3.23 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.92 4.17 2.26 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 0.86 0.00 0.00 1.04 0.00 0.00 103 K 9.19 4.64 0.00 1.71 1.81 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.58 7.81 104 L 7.88 5.20 0.00 1.75 1.47 1.03 0.84 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 0.00 105 V 8.89 4.77 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 1.02 0.00 0.00 0.41 0.00 0.00 106 L 8.90 4.99 0.00 1.65 1.62 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.17 4.66 0.00 1.59 1.89 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.86 4.70 1.27 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 0.00 0.00 *110 P 0.00 4.35 0.00 2.23 2.24 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 111 H 7.81 4.95 0.00 3.18 3.19 0.00 5.88 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.96 4.13 0.00 3.29 3.28 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.86 3.98 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 114 G 7.87 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 0.00 115 N 8.08 4.37 0.00 2.89 2.88 0.00 0.00 7.12 7.78 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 0.00 116 Q 7.77 3.95 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 117 T 8.36 3.86 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 1.29 0.00 0.00 118 A 8.37 4.21 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.79 0.00 1.82 1.92 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.05 3.91 0.00 2.20 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 2.30 2.50 0.00 121 Q 7.73 3.74 0.00 1.51 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 122 L 7.20 3.32 0.00 1.36 1.60 0.40 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.08 4.04 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 124 R 7.77 4.26 0.00 1.94 1.99 0.00 3.02 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 125 R 7.30 4.37 0.00 1.67 2.01 0.00 3.38 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 126 N 7.97 4.18 0.00 2.87 2.88 0.00 0.00 6.82 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 0.00 127 Y 7.72 4.22 0.00 2.95 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 0.00 128 K 8.07 4.16 0.00 1.57 1.64 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.49 7.81 129 G 5.38 3.69 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 0.00 0.00 0.00 130 Q 8.51 4.89 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 131 I 9.25 5.34 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 0.95 0.00 0.00 132 A 9.27 5.38 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 0.00 133 A 8.75 5.19 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 0.00 134 I 8.02 5.18 1.94 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 1.13 1.15 0.92 0.00 0.00 135 A 8.63 4.56 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 0.00 136 E 8.91 4.10 0.00 1.82 1.12 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 2.35 2.22 0.00 137 Y 7.55 5.03 0.00 3.01 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 0.00 138 P 0.00 4.32 0.00 2.20 2.15 0.00 3.77 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 139 D 8.15 4.41 0.00 2.94 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 0.00 140 Q 8.09 3.95 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.16 2.48 0.00 141 L 7.84 3.97 0.00 1.88 1.68 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.64 4.00 0.00 2.06 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 2.31 2.33 0.00 143 G 8.42 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.13 4.02 0.00 1.88 1.73 0.99 0.50 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 0.00 145 L 8.02 3.96 0.00 1.83 1.69 0.86 0.74 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 0.00 146 E 8.59 4.00 0.00 2.15 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 2.33 2.50 0.00 147 S 7.79 4.48 0.00 3.97 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 0.00 148 G 7.32 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 0.00 0.00 0.00 149 V 7.63 3.98 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 0.70 0.00 0.00 0.96 0.00 0.00 150 D 8.79 4.69 0.00 2.68 2.73 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 0.00 151 A 7.75 4.62 1.11 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 0.00 0.00 152 A 7.77 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 9.03 4.99 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.74 5.13 0.00 2.84 2.75 0.00 0.00 6.95 7.93 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 0.00 155 I 8.85 3.52 1.07 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.32 0.25 0.00 0.00 156 Y 7.88 4.11 0.00 3.17 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 0.00 157 S 8.37 4.19 0.00 4.06 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 0.00 158 E 8.35 3.92 0.00 2.14 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 2.58 2.45 0.00 159 A 8.20 4.10 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 0.00 160 G 8.21 3.74 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 0.00 0.00 0.00 161 S 8.36 4.21 0.00 3.91 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.35 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.78 4.42 0.00 3.08 3.25 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 0.00 164 A 8.12 3.61 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 0.00 165 R 7.96 3.79 0.00 1.92 1.96 0.00 3.04 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 166 H 8.50 4.38 0.00 3.28 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 8.02 3.58 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 0.90 0.00 0.00 0.75 0.00 0.00 168 C 8.14 4.18 0.00 3.14 2.98 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 0.00 169 K 7.90 3.97 0.00 1.78 1.88 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.66 7.81 170 Q 8.23 4.06 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 171 L 8.43 4.09 0.00 1.69 1.66 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 172 E 8.20 3.77 0.00 1.96 1.86 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 2.24 2.19 0.00 173 P 0.00 4.02 0.00 0.72 1.71 0.00 3.74 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 174 Q 7.88 4.15 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 175 F 7.90 4.97 0.00 3.07 2.83 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 0.00 176 T 8.33 4.38 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 0.00 177 S 8.56 4.33 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 8.16 4.13 1.84 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 1.40 0.86 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.