NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4792 8.1633 118.3344 55.3111 33.7165 173.2766 2 L 4.8932 8.4187 118.6575 53.0249 43.0307 175.0970 3 R 4.6572 8.8385 123.9207 54.8176 33.2760 175.0907 4 T 4.9473 8.3615 116.5518 61.4364 68.6060 173.6796 5 M 5.0476 9.0604 126.8904 53.2474 37.3619 173.8634 6 L 3.5870 8.6325 122.9333 55.9978 42.2273 176.1449 7 K 4.3617 8.8150 129.2155 58.2282 33.9746 176.2061 8 S 4.9439 7.3839 111.9525 57.4093 66.6706 173.6172 9 K 5.1642 8.2468 118.3617 56.8642 36.1455 174.2196 10 I 4.5084 8.2667 129.4664 60.3107 37.9775 174.1964 11 H 4.5279 8.9481 128.6439 55.8361 30.3010 175.1953 12 R 3.7551 8.6455 125.3301 57.2488 27.2829 176.4095 13 A 4.4347 7.4731 117.2734 52.3185 20.0013 177.4672 14 T 4.9326 8.3054 116.8044 61.6047 70.5623 174.9476 15 V 3.5300 8.8640 126.7888 63.6799 31.6464 176.1741 16 T 4.0063 8.5498 125.5202 66.1817 67.6922 175.4066 17 C 5.1099 7.2985 114.2546 57.4689 33.9403 171.3287 18 A 4.7100 8.0877 115.0826 51.6409 21.6627 175.8273 19 D 4.4964 8.6958 122.4682 52.6178 44.1059 175.3931 20 L 4.0449 9.0079 128.8910 58.5570 42.9117 177.0480 21 H 4.7079 8.4539 113.5360 55.6393 29.9391 170.1241 22 Y 3.2739 8.4455 130.2088 57.0209 39.8120 169.2018 23 V 4.4190 7.3132 125.7464 61.6520 33.6569 174.8885 24 G 4.2524 8.7875 110.6648 45.2024 0.0000 176.8266 25 S 3.1444 7.9752 117.5126 58.5927 63.7228 173.7778 26 V 5.6905 5.4975 117.5242 60.2158 34.3888 173.2159 27 T 4.7996 8.4874 118.5081 60.5784 69.8867 173.5030 28 I 4.8347 9.0279 128.6610 58.8563 40.3850 174.8314 29 D 4.6112 8.7556 124.1508 54.4619 41.6955 176.6661 30 A 3.9836 8.8311 128.6150 55.8761 18.3733 178.9807 31 D 4.3704 8.3890 116.8182 57.9225 40.8867 179.5535 32 L 4.0583 8.3797 119.5114 58.0175 41.3417 179.4663 33 M 4.1779 7.8841 118.2409 58.2077 31.9418 178.4214 34 D 4.4756 8.2136 118.9997 56.9565 40.9186 178.4890 35 A 3.8504 8.1534 121.3637 55.3089 18.3767 178.1888 36 A 4.2308 8.3119 115.6475 51.3095 18.6797 177.1178 37 D 4.3138 7.7166 113.3822 55.3834 39.3045 172.1251 38 L 5.0074 9.5784 121.0543 52.3159 45.9398 176.0359 39 L 4.6538 8.6790 122.1674 52.3557 43.6500 176.0956 40 E 3.8448 8.7215 123.1553 58.6764 29.4975 176.0930 41 G 3.8591 10.3494 116.4906 45.6835 0.0000 170.5497 42 E 4.6832 8.2574 120.9373 54.8430 33.3497 174.2117 43 Q 4.5716 9.2068 128.5083 57.1377 29.6919 175.7951 44 V 4.7573 10.8002 125.1889 61.4975 35.2812 174.1079 45 T 5.1644 9.2683 123.4941 62.1086 71.2850 173.5947 46 I 5.1518 8.5420 124.8305 59.6711 41.2915 175.0146 47 V 4.7156 8.5744 118.5879 59.7260 35.5174 174.2828 48 D 4.7981 8.6610 126.3640 53.1531 41.0711 176.7527 49 I 3.6916 8.7958 129.1143 64.5990 37.1096 177.9436 50 D 4.5538 8.4120 121.0830 56.6880 40.9238 176.6256 51 N 4.9605 8.4921 114.8215 52.2256 37.9701 174.1497 52 G 4.0393 8.5414 104.3186 46.9496 0.0000 174.0788 53 A 4.3455 7.5901 120.4646 51.8860 19.9804 178.0602 54 R 5.5269 8.1089 117.4530 55.0903 33.9559 174.7437 55 L 4.9608 8.6348 122.7370 52.8385 46.7113 175.6247 56 V 4.8672 8.1499 119.2198 61.8572 34.0300 174.1570 57 T 4.7549 9.1919 122.1229 61.4918 71.5547 171.6951 58 Y 5.3300 8.9459 120.4750 55.5293 40.4379 174.0212 59 A 5.0010 8.6503 120.9433 50.2714 22.2760 175.4536 60 I 4.7786 9.1894 122.1545 59.3970 40.4164 175.2789 61 T 4.3040 8.5211 123.6224 64.0057 69.0037 174.5790 62 G 4.0874 9.9652 114.8554 44.1765 0.0000 172.1217 63 E 4.5111 8.4911 120.0640 56.0317 30.9982 176.2321 64 R 4.4117 8.6161 123.2680 57.1416 31.0540 178.8795 65 G 3.9708 9.2373 109.6987 46.7047 0.0000 175.2365 66 S 4.1461 8.2517 113.6118 59.0447 62.9837 174.4472 67 G 4.0422 8.6904 109.4922 46.3171 0.0000 173.7428 68 V 3.7249 7.5811 118.2962 62.9816 32.9480 175.4993 69 I 4.7520 8.2686 125.4549 60.4652 39.9162 173.4495 70 G 4.2773 8.9241 113.0202 45.1123 0.0000 170.1531 71 I 4.8384 8.2110 121.9901 59.5460 39.5539 174.1409 72 N 5.1288 9.8277 126.8307 52.2727 39.7155 172.2726 73 G 4.1322 10.0911 119.5930 45.5328 0.0000 171.4523 74 A 3.8536 8.5861 129.4503 53.2403 17.0224 179.2356 75 A 4.1181 7.6078 115.6011 53.5216 18.7389 179.2590 76 A 4.0015 8.0082 118.3625 54.6894 18.7218 177.3552 77 H 4.6729 8.2334 112.9492 55.6337 30.6471 173.8849 78 L 3.7925 8.4672 121.4975 55.9617 40.0760 174.6902 79 V 4.4166 7.1972 116.2525 61.3057 33.2043 174.5107 80 H 5.0950 8.1067 120.2759 52.9699 32.7062 171.1802 81 P 4.3959 0.0000 0.0000 64.0142 31.5015 177.6043 82 G 3.9563 8.7418 108.8342 45.7700 0.0000 173.3417 83 D 4.9179 7.5947 120.2070 53.3698 42.8962 175.6566 84 L 4.9192 10.0336 124.3969 54.0384 43.2080 176.3095 85 V 4.9775 8.5687 116.8089 59.5732 36.1481 174.5975 86 I 4.6742 8.7208 121.5354 59.6935 40.8744 174.8489 87 L 5.2822 8.3831 126.2641 53.2975 43.9931 175.6682 88 I 5.1019 8.9547 123.2644 59.4736 41.9336 174.2621 89 A 4.7737 8.6661 126.9655 50.7223 21.5543 174.7223 90 Y 4.7263 9.1226 124.4701 59.0480 39.5890 174.5404 91 A 5.2057 8.3262 130.8431 52.9647 21.9567 176.7185 92 T 4.5654 8.5576 114.1143 62.3524 69.9484 173.8150 93 M 4.9100 9.3007 123.1145 53.5199 37.4358 174.0068 94 D 4.7624 8.5874 119.7811 54.0599 41.9745 176.6297 95 D 4.2862 8.6818 125.6445 57.3299 41.4642 178.5197 96 A 4.1246 7.7982 119.7805 55.2475 16.9271 179.4993 97 R 3.7849 7.9853 115.1857 59.1586 29.9299 178.6782 98 A 4.0380 7.9027 119.8254 55.8020 18.3845 179.3928 99 R 4.1966 7.6212 114.3618 58.0955 30.3107 177.3570 100 T 4.4151 7.0214 114.0946 60.7384 69.0647 173.6979 101 Y 4.8138 8.1738 124.6405 56.9148 41.6468 173.4527 102 Q 4.2677 8.8664 126.9053 53.5888 28.9628 173.4872 103 P 3.9017 0.0000 0.0000 62.1147 32.3228 177.6027 104 R 4.0254 8.4961 123.9312 56.6438 29.3580 174.4198 105 I 4.5270 7.7530 123.6934 59.4773 39.1222 175.2971 106 V 3.9768 8.3436 127.2904 60.8289 33.0841 174.9551 107 F 5.1831 7.8952 126.6781 57.5850 39.8313 174.9245 108 V 4.6451 8.1319 119.1909 60.1203 34.9019 174.2969 109 D 4.5410 8.6880 119.7530 53.2710 41.8911 176.7959 110 A 3.9228 8.3074 125.4320 54.1963 18.3305 177.7785 111 Y 4.8385 8.1505 112.2371 56.8572 38.8105 173.5932 112 N 4.2155 9.3391 123.5139 53.4900 35.6590 173.0793 113 K 4.5644 8.3578 121.5725 57.5025 40.0052 175.3517 *114 P 4.2215 0.0000 0.0000 62.2665 31.3818 178.2619 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.48 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 2 L 8.42 4.89 0.00 1.61 1.65 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.84 4.66 0.00 1.81 1.86 0.00 3.14 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 4 T 8.36 4.95 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 1.20 0.00 0.00 5 M 9.06 5.05 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 6 L 8.63 3.59 0.00 1.36 1.48 0.63 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.81 4.36 0.00 2.04 2.13 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.53 7.81 8 S 7.38 4.94 0.00 3.91 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 9 K 8.25 5.16 0.00 1.73 1.54 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.29 7.81 10 I 8.27 4.51 1.87 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 1.21 1.07 0.92 0.00 0.00 11 H 8.95 4.53 0.00 3.22 3.45 0.00 6.06 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 12 R 8.65 3.76 0.00 1.91 1.96 0.00 3.15 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.97 0.00 13 A 7.47 4.43 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 14 T 8.31 4.93 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 1.24 0.00 0.00 15 V 8.86 3.53 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.01 0.00 0.00 16 T 8.55 4.01 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 1.21 0.00 0.00 17 C 7.30 5.11 0.00 2.95 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 18 A 8.09 4.71 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 19 D 8.70 4.50 0.00 2.82 2.53 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 20 L 9.01 4.04 0.00 1.86 1.75 1.06 1.06 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 21 H 8.45 4.71 0.00 3.20 3.32 0.00 6.08 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.45 3.27 0.00 3.15 3.04 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 23 V 7.31 4.42 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 0.98 0.00 0.00 0.90 0.00 0.00 24 G 8.79 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.98 3.14 0.00 3.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 5.50 5.69 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 1.03 0.00 0.00 0.85 0.00 0.00 27 T 8.49 4.80 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 28 I 9.03 4.83 1.87 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 1.10 0.90 0.91 0.00 0.00 29 D 8.76 4.61 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.83 3.98 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 31 D 8.39 4.37 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.38 4.06 0.00 1.85 1.71 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.88 4.18 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 34 D 8.21 4.48 0.00 2.70 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 35 A 8.15 3.85 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 36 A 8.31 4.23 1.25 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 0.00 0.00 37 D 7.72 4.31 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.58 5.01 0.00 1.54 1.50 0.92 0.96 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 39 L 8.68 4.65 0.00 1.63 1.58 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.72 3.84 0.00 1.96 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 2.36 2.40 0.00 41 G 10.35 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 42 E 8.26 4.68 0.00 2.21 1.80 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 2.24 2.25 0.00 43 Q 9.21 4.57 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 44 V 10.80 4.76 2.09 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 0.86 0.00 0.00 1.05 0.00 0.00 45 T 9.27 5.16 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 1.34 0.00 0.00 46 I 8.54 5.15 1.87 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 1.23 0.80 0.91 0.00 0.00 47 V 8.57 4.72 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 0.77 0.00 0.00 1.00 0.00 0.00 48 D 8.66 4.80 0.00 2.74 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 49 I 8.80 3.69 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 1.23 0.53 0.91 0.00 0.00 50 D 8.41 4.55 0.00 2.78 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 51 N 8.49 4.96 0.00 2.76 2.83 0.00 0.00 7.12 6.53 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 52 G 8.54 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 0.00 0.00 0.00 53 A 7.59 4.35 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 54 R 8.11 5.53 0.00 1.66 1.82 0.00 3.21 0.00 0.00 3.90 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 55 L 8.63 4.96 0.00 1.54 1.50 0.90 0.75 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 56 V 8.15 4.87 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 0.80 0.00 0.00 0.94 0.00 0.00 57 T 9.19 4.75 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 1.14 0.00 0.00 58 Y 8.95 5.33 0.00 3.10 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 59 A 8.65 5.00 1.25 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 0.00 0.00 60 I 9.19 4.78 2.04 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 1.41 1.07 0.97 0.00 0.00 61 T 8.52 4.30 4.38 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 1.23 0.00 0.00 62 G 9.97 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 0.00 0.00 0.00 63 E 8.49 4.51 0.00 2.07 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 2.38 2.35 0.00 64 R 8.62 4.41 0.00 1.81 1.96 0.00 3.31 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 65 G 9.24 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 0.00 0.00 0.00 66 S 8.25 4.15 0.00 3.97 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 67 G 8.69 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 0.00 0.00 0.00 68 V 7.58 3.72 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 1.02 0.00 0.00 0.93 0.00 0.00 69 I 8.27 4.75 2.01 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 1.17 1.00 0.91 0.00 0.00 70 G 8.92 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 0.00 0.00 0.00 0.00 71 I 8.21 4.84 1.87 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 1.32 1.10 0.92 0.00 0.00 72 N 9.83 5.13 0.00 2.49 3.02 0.00 0.00 7.01 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 10.09 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 74 A 8.59 3.85 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 75 A 7.61 4.12 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 76 A 8.01 4.00 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 77 H 8.23 4.67 0.00 3.16 3.32 0.00 5.83 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 78 L 8.47 3.79 0.00 1.75 1.74 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.20 4.42 2.15 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 0.77 0.00 0.00 0.90 0.00 0.00 80 H 8.11 5.09 0.00 3.44 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.40 0.00 2.05 2.00 0.00 3.79 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 2.04 2.10 0.00 82 G 8.74 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 0.00 0.00 0.00 83 D 7.59 4.92 0.00 2.78 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 84 L 10.03 4.92 0.00 1.48 1.59 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.57 4.98 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 0.81 0.00 0.00 0.93 0.00 0.00 86 I 8.72 4.67 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 1.26 0.93 0.96 0.00 0.00 87 L 8.38 5.28 0.00 1.53 1.56 0.92 0.85 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 88 I 8.95 5.10 1.94 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 1.12 1.01 0.50 0.00 0.00 89 A 8.67 4.77 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 90 Y 9.12 4.73 0.00 2.94 2.95 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 91 A 8.33 5.21 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 92 T 8.56 4.57 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 93 M 9.30 4.91 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.46 0.00 94 D 8.59 4.76 0.00 2.73 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 95 D 8.68 4.29 0.00 2.79 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 96 A 7.80 4.12 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 97 R 7.99 3.78 0.00 1.71 1.81 0.00 3.24 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 0.00 98 A 7.90 4.04 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 99 R 7.62 4.20 0.00 1.87 2.01 0.00 3.16 0.00 0.00 3.29 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 100 T 7.02 4.42 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 0.00 101 Y 8.17 4.81 0.00 3.02 2.81 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 0.00 102 Q 8.87 4.27 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 103 P 0.00 3.90 0.00 1.72 1.86 0.00 3.49 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 104 R 8.50 4.03 0.00 1.68 1.82 0.00 3.37 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 105 I 7.75 4.53 1.57 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.60 0.57 0.00 0.00 106 V 8.34 3.98 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 0.94 0.00 0.00 0.85 0.00 0.00 107 F 7.90 5.18 0.00 3.02 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.13 4.65 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 0.79 0.00 0.00 0.96 0.00 0.00 109 D 8.69 4.54 0.00 2.71 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 0.00 110 A 8.31 3.92 1.06 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 0.00 0.00 111 Y 8.15 4.84 0.00 2.98 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 0.00 112 N 9.34 4.22 0.00 2.84 2.93 0.00 0.00 6.69 7.49 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 0.00 113 K 8.36 4.56 0.00 1.73 1.81 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.52 7.81 *114 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.