NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.5114 8.1693 120.6438 55.0177 43.1250 175.7576 8 H 4.8706 8.4910 115.8848 53.2281 31.6052 171.1907 9 K 4.6541 9.3101 122.0998 55.8705 34.2214 177.2006 10 E 5.0075 9.0640 123.4954 53.6512 33.2823 173.9142 11 P 4.9805 0.0000 0.0000 63.3022 32.3796 174.9458 12 A 4.9404 8.3720 121.3145 51.3721 23.0872 175.5612 13 T 4.6296 8.6030 115.1256 61.2227 72.1796 173.8687 14 L 4.0874 8.7160 128.1823 56.0221 42.2808 175.2962 15 I 4.3728 8.4189 125.7657 62.0965 39.1402 175.9247 16 K 4.5044 7.4708 120.3722 55.2655 35.5764 173.9939 17 A 4.4702 8.7393 130.7621 52.1453 19.3875 176.5234 18 I 4.2256 8.1053 123.0432 62.2067 38.9379 175.0948 19 D 4.4356 7.8726 116.6428 53.0011 42.7676 176.0183 20 G 3.9063 9.2039 107.9986 49.1036 0.0000 174.1229 21 D 4.7999 7.8093 117.6307 52.9641 40.3290 175.6442 22 T 5.3530 7.8854 117.1160 62.3075 73.2413 173.2301 23 V 4.6359 8.7137 123.7226 60.1096 35.5272 173.3251 24 K 5.0078 9.1099 124.8589 55.1444 33.8374 175.1437 25 L 5.2858 9.1374 126.4716 53.1858 46.7613 175.0044 26 M 4.8360 9.2280 121.7336 54.6682 33.8635 174.1689 27 Y 5.0373 9.0144 127.7289 56.0972 41.9888 175.6253 28 K 3.4657 9.4733 127.2563 57.3926 29.7721 175.4405 29 G 4.0879 8.5403 106.5495 44.7698 0.0000 173.1889 30 Q 4.9054 7.7594 116.8065 53.2000 32.2045 173.3580 31 P 4.9291 0.0000 0.0000 63.4919 32.2801 175.1824 32 M 4.8220 9.2461 121.3695 54.6737 36.4028 173.2016 33 T 4.8903 8.3869 121.2557 62.3672 70.7952 173.5268 34 F 5.0335 9.5059 125.1361 55.5696 42.1978 174.3688 35 R 5.0041 9.0349 123.2464 54.1796 32.1280 175.1115 36 L 4.3641 8.5971 127.4515 54.8897 42.1201 177.4128 37 L 3.9248 8.7252 124.4399 55.3335 42.9183 177.4100 38 L 3.8185 8.7592 119.7262 55.5537 39.5519 174.1067 39 V 4.9986 7.3082 109.6940 59.6478 35.6251 175.0336 40 D 4.9016 8.9392 123.1513 52.9096 43.6405 175.1461 41 T 4.8509 8.3408 113.5866 58.9071 71.5452 172.8358 42 P 4.2951 0.0000 0.0000 62.6318 32.3181 175.7063 43 E 4.3945 10.1520 124.2325 55.5591 30.7125 176.8475 44 T 4.4457 8.2357 112.7329 62.6093 70.6116 175.4225 45 K 4.0578 7.6302 122.9636 55.4256 31.2932 177.7911 *51 V 4.0492 7.3490 117.1846 62.6607 32.7854 175.7936 52 E 4.2610 9.1644 128.2678 55.6136 30.9386 176.4698 53 K 3.9849 8.3582 122.9248 57.9744 32.6644 176.8741 54 Y 4.2991 7.9835 121.9289 58.7584 36.4527 171.6594 55 G 3.6969 8.0374 107.9538 47.2577 0.0000 174.2952 56 P 4.4385 0.0000 0.0000 64.6796 31.4093 178.3789 57 E 3.9858 8.1848 117.8829 59.2479 29.5264 178.7807 58 A 4.0241 8.3693 121.4371 55.2901 17.9155 179.8884 59 S 4.2313 8.2663 112.5647 61.4163 63.1670 176.5992 60 A 4.0451 8.2743 124.5388 54.6855 18.1815 179.2849 61 F 3.9960 8.5933 119.7868 61.8077 39.4485 177.5886 62 T 3.5000 8.0928 109.4111 64.2429 68.4618 176.2911 63 K 3.9826 8.1289 122.5289 59.2747 32.2422 178.4938 64 K 3.8081 7.9881 119.6717 59.8580 31.8593 178.5414 65 M 3.8157 7.1965 117.2270 58.4785 31.9808 178.1885 66 Y 4.4348 7.7903 116.9848 61.3452 37.8971 178.4021 67 E 4.1124 8.3738 118.2533 59.0776 29.6784 177.6044 68 N 4.6456 7.9789 113.3491 53.0071 38.9637 175.0062 69 A 5.0837 7.1985 119.9951 50.9076 19.6167 178.0853 70 K 4.2541 8.9980 120.0532 58.1651 32.9963 177.9062 71 K 4.7448 8.7438 117.5666 54.5189 36.3841 175.7207 72 I 5.1256 8.4209 124.1927 59.6662 40.6642 174.3472 73 E 5.1710 9.3515 124.4804 54.7828 34.2362 174.8129 74 V 4.7600 8.9989 115.4483 59.5066 35.4342 174.5508 75 E 4.9867 9.0979 124.6637 54.5398 32.2613 174.9951 76 F 4.6020 9.0638 125.7588 57.4434 40.3219 175.4583 77 D 4.9907 8.5390 120.9500 53.1288 43.1828 175.8429 78 K 4.3796 9.1218 117.7391 57.4782 33.5566 177.3895 79 G 4.3368 7.7408 110.2967 44.0414 0.0000 173.2808 80 Q 4.1073 8.6089 119.9233 56.5399 29.2986 176.5482 81 R 4.6567 8.6061 119.8039 56.5568 31.1007 176.0453 82 T 5.0672 7.5120 107.2652 59.9215 72.0375 173.4600 83 D 4.8244 8.5411 123.6701 51.7952 41.5347 177.1169 84 K 3.9190 8.3844 117.1836 59.8363 32.5182 177.1140 85 Y 4.2827 7.9641 115.5097 57.7242 37.8460 176.0960 86 G 3.9215 8.1175 107.8601 45.5502 0.0000 174.0416 87 R 4.3353 8.4807 119.7087 55.1574 31.7359 176.3612 88 G 3.6390 8.4733 110.8814 46.1013 0.0000 172.4634 89 L 5.2437 8.7683 124.2319 53.1620 43.2038 175.5933 90 A 4.3263 8.2835 124.5532 51.2027 23.6022 173.7910 91 Y 4.8320 8.5618 116.9146 56.8529 40.0252 175.4671 92 I 4.9174 8.7000 124.1147 59.6600 40.6844 174.0768 93 Y 5.1548 9.3209 123.3925 56.0764 41.3959 174.5450 94 A 4.9064 9.0237 125.5500 50.1527 21.8240 176.1652 95 D 4.4469 9.9779 125.2666 56.0212 38.9380 176.2753 96 G 4.0316 8.3380 105.1100 45.5297 0.0000 173.5843 97 K 4.4620 7.8528 120.4895 54.9396 33.5223 175.5149 98 M 3.9449 8.5112 123.6257 55.0291 33.1421 176.9930 99 V 3.5531 8.7758 127.2178 65.9446 31.6483 177.5056 100 N 4.2889 8.0998 115.8719 56.4713 38.3817 176.6862 101 E 3.8713 8.0706 119.5266 59.2637 29.8316 178.3275 102 A 4.0608 8.0060 120.7739 55.2460 18.3944 179.6042 103 L 3.5569 8.0404 117.2889 57.8108 41.6379 179.9682 104 V 3.8145 7.4600 119.1555 65.6017 31.3086 177.9904 105 R 3.8639 8.0847 117.5023 59.2741 29.9920 177.4060 106 Q 4.1639 7.8262 116.6430 55.6252 29.4586 175.5516 107 G 3.8527 8.2724 107.5465 47.8471 0.0000 174.5984 108 L 4.3837 7.7948 116.9084 53.6542 42.2744 176.3197 109 A 4.5304 7.3475 119.0271 51.1354 22.5407 175.9442 110 K 4.7566 8.4176 119.1327 54.5409 35.3988 175.9278 111 V 4.3808 8.9978 123.0165 62.8672 31.9632 175.9523 112 A 4.3240 8.5752 130.3018 50.7510 20.1137 176.6031 113 Y 4.4934 7.9165 116.6971 57.7016 38.5823 176.8116 114 V 3.7484 8.5313 123.1015 63.2618 32.4271 174.5603 115 Y 4.5555 8.6397 127.3398 56.7917 40.6955 175.6351 116 K 3.6913 9.2346 128.6144 57.4498 29.6546 176.2059 117 G 4.0437 8.1428 104.5893 45.6773 0.0000 174.1323 118 N 4.7892 7.8400 118.4687 51.9149 37.1175 174.2088 119 N 5.1451 8.0696 114.3114 52.2057 39.0566 177.0107 120 T 3.8500 8.2965 117.2505 67.3276 68.7598 174.7482 121 H 4.8676 8.0156 115.6298 55.6139 29.2015 176.3260 122 E 4.0431 8.3080 123.8150 59.5856 29.3101 179.0095 123 Q 3.9957 8.0421 117.5725 58.7589 28.9994 178.0638 124 L 3.9515 7.9435 120.8558 58.4007 42.0924 179.0030 125 L 4.0589 8.0807 118.7230 57.6892 41.5321 179.5229 126 R 3.9467 8.4293 118.5526 59.3617 30.1088 179.2717 127 K 3.9527 8.2512 117.8979 59.3125 32.0592 179.2829 128 A 3.9822 7.8816 120.6556 55.1392 18.2755 179.3118 129 E 3.9271 8.4428 117.6869 59.3022 29.6604 178.8708 130 A 3.7533 7.9027 120.9000 55.0261 18.4121 179.4234 131 Q 3.7834 7.9604 117.6244 59.2916 29.1649 178.2622 132 A 4.0127 7.9964 121.7971 54.9520 18.3654 179.5405 133 K 3.2065 7.7365 118.1116 59.3753 31.9476 179.1638 134 K 3.8895 7.7661 117.5979 59.2728 32.0762 178.3235 135 E 4.2249 8.0380 115.7018 55.4246 30.1711 176.2996 136 K 4.1376 7.6637 117.1565 56.0247 30.5637 175.4685 137 L 4.2481 8.0652 118.1757 55.8366 44.2752 178.1741 138 N 3.6089 9.1919 119.0474 53.8744 38.4164 176.5945 139 I 2.8220 5.4200 127.9275 64.8234 37.7263 176.4113 140 W 4.8983 8.0958 119.1078 56.7525 28.9169 176.7025 141 S 4.3718 8.6446 122.0275 58.9556 62.1935 174.0833 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 7 L 8.17 4.51 0.00 1.75 1.82 1.12 0.81 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 8 H 8.49 4.87 0.00 3.33 3.25 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.31 4.65 0.00 1.59 1.69 0.00 1.42 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.16 1.32 7.81 10 E 9.06 5.01 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 11 P 0.00 4.98 0.00 2.10 2.07 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 12 A 8.37 4.94 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 13 T 8.60 4.63 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 1.22 0.00 0.00 14 L 8.72 4.09 0.00 1.63 1.57 0.95 0.95 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 15 I 8.42 4.37 1.93 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 1.13 0.78 0.92 0.00 0.00 16 K 7.47 4.50 0.00 1.79 1.58 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 A 8.74 4.47 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 18 I 8.11 4.23 2.04 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 1.47 0.81 0.90 0.00 0.00 19 D 7.87 4.44 0.00 2.84 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 20 G 9.20 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 21 D 7.81 4.80 0.00 2.85 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 22 T 7.89 5.35 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 1.23 0.00 0.00 23 V 8.71 4.64 1.78 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 0.47 0.00 0.00 0.21 0.00 0.00 24 K 9.11 5.01 0.00 1.80 1.76 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.58 7.81 25 L 9.14 5.29 0.00 1.75 1.57 0.66 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.23 4.84 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 27 Y 9.01 5.04 0.00 3.32 3.06 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 28 K 9.47 3.47 0.00 1.35 1.58 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.99 0.21 7.81 29 G 8.54 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 30 Q 7.76 4.91 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 31 P 0.00 4.93 0.00 2.13 2.13 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 32 M 9.25 4.82 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 33 T 8.39 4.89 4.18 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 0.00 0.00 1.19 0.00 0.00 34 F 9.51 5.03 0.00 2.96 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 35 R 9.03 5.00 0.00 1.82 1.72 0.00 3.33 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 36 L 8.60 4.36 0.00 1.56 1.61 0.99 0.94 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 37 L 8.73 3.92 0.00 1.02 1.35 0.30 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.76 3.82 0.00 1.99 1.81 1.18 1.02 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 39 V 7.31 5.00 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 0.75 0.00 0.00 0.98 0.00 0.00 40 D 8.94 4.90 0.00 2.48 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 41 T 8.34 4.85 4.21 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 1.22 0.00 0.00 42 P 0.00 4.30 0.00 2.29 2.07 0.00 3.55 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 2.16 2.01 0.00 43 E 10.15 4.39 0.00 2.01 1.76 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 2.23 2.20 0.00 44 T 8.24 4.45 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 1.21 0.00 0.00 45 K 7.63 4.06 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.39 7.81 *51 V 7.35 4.05 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 0.74 0.00 0.00 0.96 0.00 0.00 52 E 9.16 4.26 0.00 2.10 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 2.29 2.23 0.00 53 K 8.36 3.98 0.00 1.62 1.65 0.00 1.34 0.00 0.00 1.47 0.00 0.00 2.16 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.22 0.81 7.81 54 Y 7.98 4.30 0.00 3.17 2.96 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 55 G 8.04 3.70 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 0.00 0.00 0.00 56 P 0.00 4.44 0.00 2.27 2.31 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.88 0.00 57 E 8.18 3.99 0.00 2.37 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 0.00 2.54 2.50 0.00 58 A 8.37 4.02 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 59 S 8.27 4.23 0.00 4.12 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 60 A 8.27 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.59 4.00 0.00 3.21 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 62 T 8.09 3.50 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 63 K 8.13 3.98 0.00 2.02 2.07 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.60 7.81 64 K 7.99 3.81 0.00 1.83 1.85 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.37 7.81 65 M 7.20 3.82 0.00 1.67 1.63 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.22 0.00 66 Y 7.79 4.43 0.00 3.13 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 67 E 8.37 4.11 0.00 2.06 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 2.38 2.41 0.00 68 N 7.98 4.65 0.00 2.77 2.81 0.00 0.00 6.98 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 69 A 7.20 5.08 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 70 K 9.00 4.25 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.45 7.81 71 K 8.74 4.74 0.00 1.66 1.65 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 72 I 8.42 5.13 2.07 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.94 0.00 0.00 73 E 9.35 5.17 0.00 1.91 1.78 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 2.23 2.29 0.00 74 V 9.00 4.76 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 0.09 0.00 0.00 0.71 0.00 0.00 75 E 9.10 4.99 0.00 2.22 2.31 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 2.54 2.43 0.00 76 F 9.06 4.60 0.00 3.03 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 77 D 8.54 4.99 0.00 2.69 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 78 K 9.12 4.38 0.00 1.91 1.97 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.42 7.81 79 G 7.74 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 0.00 0.00 0.00 0.00 80 Q 8.61 4.11 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 81 R 8.61 4.66 0.00 1.76 1.80 0.00 2.96 0.00 0.00 3.04 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 82 T 7.51 5.07 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 1.19 0.00 0.00 83 D 8.54 4.82 0.00 2.83 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 84 K 8.38 3.92 0.00 1.61 1.85 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.91 0.37 7.81 85 Y 7.96 4.28 0.00 3.11 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 86 G 8.12 3.92 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 0.00 0.00 0.00 87 R 8.48 4.34 0.00 1.98 1.77 0.00 3.09 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 88 G 8.47 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.77 5.24 0.00 1.60 1.62 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.28 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.56 4.83 0.00 2.99 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 92 I 8.70 4.92 1.92 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.03 0.93 0.00 0.00 93 Y 9.32 5.15 0.00 2.81 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 94 A 9.02 4.91 1.23 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 95 D 9.98 4.45 0.00 2.86 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 G 8.34 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 0.00 0.00 0.00 97 K 7.85 4.46 0.00 1.95 1.75 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.51 7.81 98 M 8.51 3.94 0.00 1.87 1.63 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.31 0.00 99 V 8.78 3.55 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 0.85 0.00 0.00 0.78 0.00 0.00 100 N 8.10 4.29 0.00 2.89 2.94 0.00 0.00 6.77 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 0.00 101 E 8.07 3.87 0.00 1.96 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 2.37 2.36 0.00 102 A 8.01 4.06 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.04 3.56 0.00 1.88 1.64 0.94 0.56 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 0.00 104 V 7.46 3.81 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 1.32 0.00 0.00 1.02 0.00 0.00 105 R 8.08 3.86 0.00 1.86 1.94 0.00 3.35 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 106 Q 7.83 4.16 0.00 1.94 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.32 0.00 0.00 0.00 0.00 0.00 1.87 2.17 0.00 107 G 8.27 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 0.00 108 L 7.79 4.38 0.00 1.23 1.44 0.30 0.38 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 0.00 109 A 7.35 4.53 1.16 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 0.00 0.00 0.00 110 K 8.42 4.76 0.00 1.68 1.77 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.40 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.20 1.07 7.81 111 V 9.00 4.38 2.13 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 0.77 0.00 0.00 0.98 0.00 0.00 112 A 8.58 4.32 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 0.00 113 Y 7.92 4.49 0.00 3.06 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 0.00 114 V 8.53 3.75 2.17 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 0.83 0.00 0.00 1.05 0.00 0.00 115 Y 8.64 4.56 0.00 3.09 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 0.00 116 K 9.23 3.69 0.00 1.58 1.53 0.00 1.47 0.00 0.00 1.39 0.00 0.00 2.45 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.62 7.81 117 G 8.14 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 0.00 118 N 7.84 4.79 0.00 2.97 2.85 0.00 0.00 6.69 7.44 0.00 0.00 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 N 8.07 5.15 0.00 3.04 3.03 0.00 0.00 6.09 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 0.00 120 T 8.30 3.85 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 1.04 0.00 0.00 121 H 8.02 4.87 0.00 2.91 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.31 4.04 0.00 2.14 2.13 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 2.36 2.43 0.00 123 Q 8.04 4.00 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 L 7.94 3.95 0.00 1.75 1.86 0.91 0.55 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 0.00 125 L 8.08 4.06 0.00 1.80 1.74 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.43 3.95 0.00 2.15 1.99 0.00 3.28 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 127 K 8.25 3.95 0.00 1.94 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 128 A 7.88 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.44 3.93 0.00 2.18 2.13 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 2.20 2.60 0.00 130 A 7.90 3.75 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 0.00 131 Q 7.96 3.78 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 132 A 8.00 4.01 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.74 3.21 0.00 1.12 1.51 0.00 1.12 0.00 0.00 0.93 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 0.37 7.81 134 K 7.77 3.89 0.00 1.88 1.81 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.61 7.81 135 E 8.04 4.22 0.00 1.95 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 2.30 2.54 0.00 136 K 7.66 4.14 0.00 1.92 1.91 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.35 7.81 137 L 8.07 4.25 0.00 1.80 1.69 1.00 0.81 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 0.00 138 N 9.19 3.61 0.00 2.52 1.42 0.00 0.00 7.12 7.32 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 0.00 139 I 5.42 2.82 1.12 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 1.04 -0.13 0.05 0.00 0.00 140 W 8.10 4.90 0.00 3.42 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 0.00 141 S 8.64 4.37 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.