NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5779 8.1933 115.4401 57.4658 64.4193 172.9112 3 L 4.0735 8.4012 121.7418 56.2769 41.7826 176.4723 4 G 3.8989 9.7619 113.5575 45.4361 0.0000 173.7485 5 T 4.0613 7.5471 117.2651 63.9145 69.6885 173.0066 6 Y 4.7455 8.5240 123.3491 56.7356 39.1027 175.5463 7 V 3.7678 8.5366 125.9222 61.9753 32.3740 174.0721 8 P 4.2706 0.0000 0.0000 63.0754 31.8349 177.8356 9 G 3.6736 8.9780 113.2951 48.0422 0.0000 174.3050 10 D 4.6157 7.8976 117.2412 53.3166 40.0849 176.2659 11 I 3.8201 7.3036 121.4818 62.3978 38.2227 174.9397 12 T 4.6927 9.1689 124.7921 62.2076 70.0564 174.1488 13 L 5.0812 8.4987 126.0232 52.7262 45.7582 175.5555 14 V 4.9500 8.7275 120.6384 61.3168 34.6329 175.2966 15 D 5.4672 9.2736 128.5206 52.3628 41.4398 177.2111 16 S 4.2684 8.6959 111.9453 60.2241 62.9261 174.4211 17 Y 4.2766 8.4623 118.1484 57.9188 38.1600 176.5141 18 G 3.9858 8.4385 108.6831 45.0532 0.0000 173.2578 19 N 4.5858 8.3206 118.2457 53.0982 39.6131 173.5007 20 E 5.0536 8.8878 125.7126 55.1678 30.9671 175.0355 21 F 5.0353 8.9348 120.8106 55.8068 41.9274 173.4993 22 Q 4.5871 8.5706 118.6212 54.6406 30.5579 176.6621 23 L 3.9071 8.4871 123.2135 58.1872 42.0907 179.5335 24 K 3.9699 8.2141 118.4962 59.5445 32.1062 178.2823 25 N 4.4568 8.1526 117.5324 55.6429 38.0752 175.5358 26 L 4.0430 7.9699 119.1910 53.8138 42.1180 176.6341 27 K 4.3215 7.2231 119.3287 57.7812 32.4809 176.9946 28 G 4.2037 8.6849 108.9678 45.3235 0.0000 173.9030 29 K 4.7987 7.8215 115.4054 53.6552 36.8527 174.3109 30 P 4.8590 0.0000 0.0000 63.1099 33.0024 175.2687 31 I 5.0709 8.6998 122.5328 59.7656 40.7094 174.5887 32 I 4.6097 8.9894 128.8700 59.9063 38.7160 174.3668 33 L 4.9188 9.0460 130.7868 53.4234 44.0981 175.0548 34 S 4.9918 9.2644 122.1175 55.6861 63.7919 170.2109 35 P 5.3667 0.0000 0.0000 62.3081 32.0146 175.5479 36 I 5.0199 9.4250 117.3331 59.9687 41.8252 173.0788 37 Y 4.7655 8.4422 119.5152 56.4929 39.2944 176.6449 38 T 3.9123 8.0283 111.3753 63.2068 69.6417 174.5659 39 H 4.8887 8.0249 119.5263 54.2054 30.0139 174.7557 40 C 4.9678 8.7638 123.5341 55.1150 46.1842 173.4060 41 R 4.3944 8.7974 123.6111 55.8502 32.4515 176.6759 42 A 4.6165 7.6358 123.2520 52.2880 18.3719 180.0013 43 A 4.4022 8.3072 113.6749 52.2659 17.2526 177.1832 44 C 4.5081 7.8988 118.6106 55.6734 41.1798 172.9417 45 P 4.1022 0.0000 0.0000 63.3017 31.7151 175.8381 46 L 3.7602 8.0525 119.0754 55.8598 39.3480 175.8974 47 I 3.8081 7.6451 120.8352 64.7931 37.4733 178.3351 48 T 4.0013 7.8993 116.1290 66.4672 68.0856 176.1629 49 K 3.9670 8.0451 119.8248 59.9844 32.5686 178.4580 50 S 4.1567 7.8321 114.4246 61.4862 62.6587 176.6300 51 L 3.9322 8.4567 122.1792 57.7330 41.1413 179.5019 52 L 4.2884 8.3260 118.2412 57.2529 41.5714 178.8737 53 K 4.3557 7.7547 116.7653 57.3735 32.6268 178.3182 54 V 4.1305 7.3193 117.7446 64.9412 32.2110 177.2370 55 I 3.5764 7.7027 120.0729 64.1718 36.8409 176.6065 56 P 4.4813 0.0000 0.0000 65.5838 31.1633 178.0965 57 K 4.1888 8.0640 117.8283 58.9872 32.0448 178.3220 58 L 4.2535 8.0059 119.0770 55.3566 42.1144 177.5065 59 G 3.9095 7.1586 102.9360 46.2791 0.0000 170.4805 60 T 4.3267 7.8856 118.3375 60.7533 69.5126 172.4399 61 P 4.0126 0.0000 0.0000 63.8867 31.8832 177.5962 62 G 3.2876 8.6887 111.4955 44.8458 0.0000 173.5316 63 K 4.0936 7.0249 114.8827 57.9994 34.2416 177.2122 64 D 4.3675 7.5304 117.3961 56.2808 41.3892 176.3588 65 F 4.6742 6.4083 111.3634 56.0415 40.7048 172.9613 66 W 5.1372 8.9054 120.1923 55.5492 31.4151 175.5384 67 V 4.7111 8.7854 122.8394 61.1552 33.8022 174.2985 68 I 5.0551 8.8805 128.7331 59.9455 40.2649 174.6624 69 T 4.9522 9.3931 125.8692 62.6846 70.0728 173.9156 70 F 5.3673 9.3133 129.5287 56.4542 42.1494 173.8120 71 T 4.3557 8.2389 122.4272 61.4824 67.6165 174.0115 72 F 4.3738 8.4028 123.3692 56.3935 39.2119 175.0292 73 D 3.6679 6.9097 120.7669 52.6440 40.5929 175.3525 74 P 4.2256 0.0000 0.0000 65.0872 31.3451 177.3313 75 K 4.1765 7.8396 117.1162 57.2811 32.5277 176.9570 76 D 4.5004 7.6827 120.1224 54.3041 41.3920 176.3304 77 T 4.5545 8.7173 114.3490 59.4802 72.7321 175.0732 78 L 3.9207 8.2779 121.0613 58.4108 41.8875 178.2395 79 E 3.9359 8.1493 118.6845 59.3714 29.5649 178.4742 80 D 4.3427 7.7006 118.2575 57.2524 40.8482 178.7469 81 I 3.8517 7.7040 113.4269 63.5475 37.6926 178.2453 82 K 3.8135 8.1379 121.5501 59.2777 31.9534 178.7394 83 R 3.8637 7.9768 119.0232 59.3355 29.9937 178.2336 84 F 4.0498 8.3108 120.4270 61.2716 39.5713 176.6118 85 Q 3.9945 8.6119 119.6146 59.4742 28.7074 178.8196 86 K 3.9538 8.0913 119.2469 59.2744 31.8318 178.8911 87 E 3.7082 8.1269 119.0453 59.0061 29.5898 177.6636 88 Y 4.1151 7.4996 113.4512 56.7530 38.3275 176.0111 89 G 3.8491 7.4315 107.5930 46.2390 0.0000 174.0467 90 I 3.5871 7.2701 120.3613 60.4456 37.4511 176.5502 91 D 4.3792 8.6433 124.7278 54.6089 39.5547 177.6284 92 G 4.2001 8.3986 106.4870 45.5043 0.0000 173.4976 93 K 4.2050 8.7615 118.6758 57.2411 33.0051 177.6352 94 G 3.9826 8.8017 112.7874 47.9006 0.0000 173.3911 95 W 5.5771 8.6839 130.9908 55.7130 33.0161 174.7587 96 K 5.2054 9.6895 127.0849 54.7327 35.4495 175.2985 97 V 5.0446 8.4971 122.0196 61.5212 33.9608 174.8233 98 V 5.3153 9.2915 120.7354 59.5707 36.4626 174.4402 99 K 4.9787 9.0075 120.9351 54.5775 36.2188 175.2669 100 A 4.3899 8.5833 122.5995 52.0308 18.5106 177.7922 101 K 4.2021 8.8207 123.8631 59.0652 33.0454 176.9202 102 T 4.7857 7.9432 108.3390 58.7386 72.3518 174.6531 103 S 4.1721 8.8249 117.4808 61.9653 62.6117 176.5772 104 E 4.0406 8.2852 121.1945 59.5300 29.3663 178.4496 105 D 4.3208 7.8417 118.5614 57.1883 40.8489 178.5195 106 L 4.0097 7.8248 120.5980 58.4265 42.0909 179.1089 107 F 4.3471 8.2824 117.3371 59.9759 38.8457 178.0478 108 K 4.0635 8.5003 118.9803 59.2664 31.8784 179.0777 109 L 3.8026 7.8825 120.5017 58.1623 42.0045 178.9299 110 L 3.9016 8.1157 119.0323 57.7607 41.5895 179.0511 111 D 4.4189 8.9264 118.1805 57.4635 41.0381 178.2065 112 A 4.0744 7.9268 120.1990 54.7054 18.4930 178.7008 113 I 4.1155 7.4429 108.3629 60.3005 38.3111 175.0658 114 D 4.4313 7.9097 118.7591 55.6099 39.7993 173.6032 115 F 4.4801 8.3161 115.8310 56.1255 39.8564 176.1381 116 R 3.6621 8.2482 124.5027 56.5926 30.3100 176.5862 117 F 5.1791 8.3022 123.2926 57.5024 39.5141 175.5235 118 M 4.3762 8.5837 126.7222 55.1127 30.5132 179.7902 *125 I 3.5067 8.6250 131.5286 61.8538 38.2693 173.4280 126 H 4.8669 8.4006 121.6078 55.5769 30.5860 172.6460 127 P 4.3840 0.0000 0.0000 62.7012 32.3519 175.5886 128 N 5.3237 8.5568 118.5582 51.8100 38.1902 173.0507 129 V 4.8899 7.7429 118.6420 59.7438 35.5483 176.2762 130 V 4.5575 8.7278 122.7822 61.1416 34.5700 174.1239 131 V 4.3908 8.7767 127.6040 60.9706 33.9653 174.1730 132 V 4.6496 8.2515 127.7985 61.1376 33.6415 174.1960 133 L 5.2113 8.7387 128.3071 52.6662 44.5694 176.4556 134 S 4.9351 8.7692 117.3944 57.0156 64.3360 173.4711 135 P 4.8601 0.0000 0.0000 64.3556 31.1487 177.8003 136 E 4.6217 8.1360 116.1811 55.8796 29.7702 176.0512 137 L 3.7431 8.2712 117.8859 55.3635 39.8234 173.6571 138 Q 4.0308 7.8030 120.8656 55.1634 29.6943 175.0011 139 I 3.9972 8.6423 126.8876 61.5172 37.3716 176.5455 140 K 4.4252 8.6176 126.3984 56.8987 34.5975 175.7785 141 D 4.5717 7.3351 116.8134 53.4344 44.6737 173.5503 142 Y 4.8068 8.5507 120.1110 56.1210 40.9786 174.9451 143 I 4.1187 8.5309 125.5584 59.8655 39.5163 174.6104 144 Y 4.6005 8.7709 126.3065 58.2320 37.6477 175.5241 145 G 3.9327 9.0753 111.5959 45.7570 0.0000 171.2303 146 V 4.5955 8.0069 121.9094 61.1872 33.3837 175.9068 147 N 4.6470 9.4027 125.7932 53.9291 40.1481 173.4213 148 Y 3.3606 7.1462 116.4235 58.4529 36.5965 171.4749 149 N 4.7530 7.1134 116.6591 51.9120 36.4907 175.1483 150 Y 4.2186 7.5546 121.4827 61.8499 38.5369 178.1280 151 L 4.0449 8.1258 120.7860 58.1030 42.2476 178.2601 152 E 3.9045 8.3198 118.8312 59.4703 29.4300 178.7968 153 F 3.8365 8.2216 117.7221 60.2449 38.9178 177.7458 154 V 3.6212 8.2866 118.3604 66.1855 31.2366 177.6051 155 N 4.2557 8.5606 116.7543 56.6169 38.7562 176.6458 156 A 3.8911 8.1107 122.2667 55.1676 18.4147 179.6510 157 L 3.9812 8.2412 117.8231 57.8062 41.5843 179.9380 158 R 3.9254 8.2383 118.2879 59.2490 30.0722 179.0781 159 L 3.9330 8.2485 118.8428 57.7558 41.7210 179.3762 160 A 3.9854 8.3761 121.1049 55.0668 18.1221 179.0488 161 R 4.3840 8.0267 113.5295 55.8930 30.4030 176.9691 162 G 3.8579 7.7983 106.7776 46.6279 0.0000 173.8997 163 E 4.2548 8.2943 124.8592 56.0562 29.7011 176.0834 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 2 S 8.19 4.58 0.00 4.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.40 4.07 0.00 1.78 1.68 0.97 0.74 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 4 G 9.76 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 5 T 7.55 4.06 4.35 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 1.29 0.00 0.00 6 Y 8.52 4.75 0.00 2.86 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 7 V 8.54 3.77 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 0.63 0.00 0.00 0.87 0.00 0.00 8 P 0.00 4.27 0.00 2.09 1.98 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 9 G 8.98 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 0.00 0.00 0.00 10 D 7.90 4.62 0.00 2.77 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 11 I 7.30 3.82 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.62 0.72 0.00 0.00 12 T 9.17 4.69 4.32 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 1.12 0.00 0.00 13 L 8.50 5.08 0.00 0.27 1.24 0.60 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.73 4.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.93 0.00 0.00 15 D 9.27 5.47 0.00 3.04 3.07 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 16 S 8.70 4.27 0.00 3.87 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 17 Y 8.46 4.28 0.00 3.19 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 18 G 8.44 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 19 N 8.32 4.59 0.00 3.05 2.84 0.00 0.00 6.65 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 20 E 8.89 5.05 0.00 2.01 1.89 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 2.24 2.28 0.00 21 F 8.93 5.04 0.00 3.04 3.01 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 22 Q 8.57 4.59 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 23 L 8.49 3.91 0.00 1.60 1.58 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.21 3.97 0.00 2.04 2.06 0.00 1.37 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.46 7.81 25 N 8.15 4.46 0.00 3.01 2.93 0.00 0.00 7.15 7.31 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 26 L 7.97 4.04 0.00 1.71 1.24 0.82 -0.31 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 27 K 7.22 4.32 0.00 1.87 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.57 7.81 28 G 8.68 4.20 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 29 K 7.82 4.80 0.00 1.62 1.53 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.77 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.20 1.38 7.81 30 P 0.00 4.86 0.00 2.16 1.99 0.00 3.76 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 2.17 2.16 0.00 31 I 8.70 5.07 1.91 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 1.48 1.10 0.97 0.00 0.00 32 I 8.99 4.61 1.70 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.53 0.87 0.00 0.00 33 L 9.05 4.92 0.00 1.62 1.57 0.88 0.38 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 34 S 9.26 4.99 0.00 3.91 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 35 P 0.00 5.37 0.00 2.07 1.93 0.00 4.00 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.00 0.00 36 I 9.43 5.02 1.85 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 1.13 1.07 1.01 0.00 0.00 37 Y 8.44 4.77 0.00 2.56 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.03 3.91 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 0.78 0.00 0.00 39 H 8.02 4.89 0.00 3.17 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.76 4.97 0.00 2.94 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 41 R 8.80 4.39 0.00 1.82 1.93 0.00 3.26 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 42 A 7.64 4.62 1.17 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 43 A 8.31 4.40 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 44 C 7.90 4.51 0.00 3.03 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 45 P 0.00 4.10 0.00 2.24 2.23 0.00 3.97 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 46 L 8.05 3.76 0.00 1.90 1.81 0.99 1.01 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 47 I 7.65 3.81 1.97 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 1.72 0.71 1.01 0.00 0.00 48 T 7.90 4.00 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 0.96 0.00 0.00 49 K 8.05 3.97 0.00 1.95 2.14 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.64 7.81 50 S 7.83 4.16 0.00 4.05 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.46 3.93 0.00 2.07 1.85 1.00 0.35 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 52 L 8.33 4.29 0.00 1.85 1.80 0.97 0.82 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 53 K 7.75 4.36 0.00 1.81 1.98 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.54 1.48 7.81 54 V 7.32 4.13 1.61 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 0.41 0.00 0.00 0.50 0.00 0.00 55 I 7.70 3.58 2.11 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 -0.01 1.09 0.00 0.00 56 P 0.00 4.48 0.00 2.31 2.30 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 57 K 8.06 4.19 0.00 1.99 1.85 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.66 1.68 7.81 58 L 8.01 4.25 0.00 1.90 1.79 0.63 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.16 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 0.00 0.00 0.00 0.00 60 T 7.89 4.33 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 1.09 0.00 0.00 61 P 0.00 4.01 0.00 2.27 2.09 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 62 G 8.69 3.29 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 0.00 63 K 7.02 4.09 0.00 1.57 1.62 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 1.21 7.81 64 D 7.53 4.37 0.00 2.11 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 6.41 4.67 0.00 3.12 3.07 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 66 W 8.91 5.14 0.00 3.36 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 67 V 8.79 4.71 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 -0.31 0.00 0.00 0.82 0.00 0.00 68 I 8.88 5.06 1.94 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 1.33 0.85 1.07 0.00 0.00 69 T 9.39 4.95 4.70 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 1.30 0.00 0.00 70 F 9.31 5.37 0.00 3.07 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 71 T 8.24 4.36 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 0.96 0.00 0.00 72 F 8.40 4.37 0.00 3.00 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 73 D 6.91 3.67 0.00 1.58 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.23 0.00 2.21 2.16 0.00 3.63 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 2.06 0.00 75 K 7.84 4.18 0.00 1.83 1.83 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.36 7.81 76 D 7.68 4.50 0.00 2.59 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 0.00 0.00 0.00 0.00 77 T 8.72 4.55 4.22 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 1.22 0.00 0.00 78 L 8.28 3.92 0.00 1.77 1.70 0.99 0.77 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 79 E 8.15 3.94 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 80 D 7.70 4.34 0.00 2.92 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.70 3.85 1.88 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 1.62 1.25 0.81 0.00 0.00 82 K 8.14 3.81 0.00 1.90 1.79 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.67 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.24 7.81 83 R 7.98 3.86 0.00 2.00 2.10 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 84 F 8.31 4.05 0.00 3.35 3.21 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 0.00 0.00 0.00 0.00 85 Q 8.61 3.99 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 86 K 8.09 3.95 0.00 1.76 1.78 0.00 1.70 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.54 7.81 87 E 8.13 3.71 0.00 1.72 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 1.47 1.47 0.00 88 Y 7.50 4.12 0.00 2.70 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 89 G 7.43 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.27 3.59 1.70 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.08 0.63 0.00 0.00 91 D 8.64 4.38 0.00 2.82 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 92 G 8.40 4.20 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 93 K 8.76 4.20 0.00 1.89 1.69 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.58 7.81 94 G 8.80 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 95 W 8.68 5.58 0.00 3.60 2.99 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 96 K 9.69 5.21 0.00 1.89 1.83 0.00 1.41 0.00 0.00 1.32 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.49 7.81 97 V 8.50 5.04 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 1.12 0.00 0.00 1.14 0.00 0.00 98 V 9.29 5.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.28 0.00 0.00 99 K 9.01 4.98 0.00 1.68 1.79 0.00 1.27 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.35 7.81 100 A 8.58 4.39 1.40 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 0.00 0.00 0.00 101 K 8.82 4.20 0.00 1.74 1.99 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.38 7.81 102 T 7.94 4.79 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 1.21 0.00 0.00 103 S 8.82 4.17 0.00 3.98 4.22 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 0.00 104 E 8.29 4.04 0.00 2.06 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 2.41 2.44 0.00 105 D 7.84 4.32 0.00 2.89 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 0.00 106 L 7.82 4.01 0.00 1.72 1.64 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.28 4.35 0.00 3.07 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 0.00 108 K 8.50 4.06 0.00 2.01 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.63 7.81 109 L 7.88 3.80 0.00 1.62 1.61 0.62 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.12 3.90 0.00 2.13 2.03 1.11 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.93 4.42 0.00 3.26 2.99 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 0.00 112 A 7.93 4.07 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 0.00 113 I 7.44 4.12 1.85 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.31 0.73 0.00 0.00 114 D 7.91 4.43 0.00 2.99 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.32 4.48 0.00 3.02 2.90 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 0.00 116 R 8.25 3.66 0.00 1.68 1.79 0.00 3.20 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 117 F 8.30 5.18 0.00 3.21 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 0.00 118 M 8.58 4.38 0.00 2.12 1.44 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 *125 I 8.63 3.51 1.90 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 1.53 0.81 0.95 0.00 0.00 126 H 8.40 4.87 0.00 3.16 3.30 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.38 0.00 2.16 1.71 0.00 3.93 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 128 N 8.56 5.32 0.00 2.81 2.73 0.00 0.00 6.59 7.71 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 0.00 129 V 7.74 4.89 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 1.06 0.00 0.00 0.46 0.00 0.00 130 V 8.73 4.56 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 1.01 0.00 0.00 1.03 0.00 0.00 131 V 8.78 4.39 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 0.33 0.00 0.00 0.84 0.00 0.00 132 V 8.25 4.65 1.88 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 0.93 0.00 0.00 0.70 0.00 0.00 133 L 8.74 5.21 0.00 1.55 1.47 0.85 0.43 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 0.00 134 S 8.77 4.94 0.00 3.93 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 0.00 135 P 0.00 4.86 0.00 2.25 2.28 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 136 E 8.14 4.62 0.00 2.11 2.14 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 2.30 2.33 0.00 137 L 8.27 3.74 0.00 2.00 1.83 1.01 1.23 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 0.00 138 Q 7.80 4.03 0.00 1.40 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 7.00 0.00 0.00 0.00 0.00 0.00 1.93 1.49 0.00 139 I 8.64 4.00 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.49 0.51 0.00 0.00 140 K 8.62 4.43 0.00 1.59 1.73 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.41 7.81 141 D 7.34 4.57 0.00 2.64 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 0.00 0.00 0.00 0.00 142 Y 8.55 4.81 0.00 2.76 2.27 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 0.00 143 I 8.53 4.12 1.47 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.42 0.70 0.00 0.00 144 Y 8.77 4.60 0.00 2.89 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 9.08 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 0.00 146 V 8.01 4.60 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.11 0.00 0.00 147 N 9.40 4.65 0.00 2.73 2.64 0.00 0.00 6.79 8.25 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 0.00 148 Y 7.15 3.36 0.00 3.10 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 7.11 4.75 0.00 2.82 3.02 0.00 0.00 7.04 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 0.00 150 Y 7.55 4.22 0.00 3.11 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 0.00 151 L 8.13 4.04 0.00 1.82 1.74 0.96 0.90 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 0.00 152 E 8.32 3.90 0.00 2.08 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 2.16 2.34 0.00 153 F 8.22 3.84 0.00 3.18 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 0.00 154 V 8.29 3.62 2.28 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 1.10 0.00 0.00 1.04 0.00 0.00 155 N 8.56 4.26 0.00 2.93 2.93 0.00 0.00 7.16 8.31 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 0.00 156 A 8.11 3.89 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.24 3.98 0.00 1.82 1.74 0.73 0.89 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 0.00 158 R 8.24 3.93 0.00 2.04 1.97 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 159 L 8.25 3.93 0.00 1.79 1.67 0.94 1.01 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 0.00 160 A 8.38 3.99 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 0.00 161 R 8.03 4.38 0.00 1.81 1.99 0.00 3.27 0.00 0.00 3.25 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 162 G 7.80 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 0.00 163 E 8.29 4.25 0.00 2.06 1.84 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 2.25 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.