NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1690 8.0249 120.7873 60.8705 39.1801 174.6854 3 Q 4.4829 8.3594 123.8236 52.3686 32.4492 173.2017 4 S 4.9749 9.1456 116.2545 56.7027 67.2049 173.0942 5 Q 4.5727 8.7950 121.2689 54.8765 29.9592 175.9299 6 I 4.4599 8.1368 110.6418 60.0675 39.1259 174.6978 7 N 4.9102 7.8430 120.4093 51.0854 40.8900 174.8374 8 R 3.9515 8.6213 123.3668 59.3211 29.3917 178.4282 9 N 4.3203 8.8804 117.7035 55.8548 38.4471 177.3357 10 I 3.6807 7.4550 121.6699 64.6578 37.2037 178.7092 11 R 4.0220 7.9008 118.1270 58.9759 30.0895 178.9671 12 L 4.0132 8.2687 119.3962 57.6889 41.5516 179.1600 13 D 4.3718 8.4349 119.3620 57.0230 40.7069 178.4061 14 L 3.8871 7.9061 120.5674 58.1639 42.0771 178.6657 15 A 4.1325 8.2598 120.9513 55.5779 18.2459 179.3664 16 D 4.3069 8.0745 116.5013 57.4488 40.8124 178.9155 17 A 4.0044 8.0085 121.2654 55.1554 18.3244 179.6796 18 I 3.6417 8.2132 118.7426 64.6759 37.2357 178.7329 19 L 4.0341 8.3865 120.1693 57.5215 41.2967 179.4184 20 L 3.9492 8.0005 120.5283 57.9492 42.0357 178.7727 21 S 4.0209 8.2657 113.3840 61.2983 62.3556 175.7492 22 K 3.7051 8.3057 122.4066 59.7998 31.8516 178.4618 23 A 3.9660 8.0205 120.6246 55.0491 18.0542 179.7564 24 K 3.9551 8.1338 116.4413 59.1388 32.2194 178.8310 25 K 4.1882 8.0533 115.9471 55.3973 32.8381 175.9058 26 D 4.2898 7.6294 117.9466 55.0841 40.0812 173.1163 27 L 4.6677 7.7298 116.6051 53.6162 43.7364 177.3235 28 S 4.6442 8.4289 115.8486 56.8753 66.5070 175.5234 29 F 4.2732 8.4189 121.0149 60.4900 38.6881 177.8254 30 A 4.1357 8.1221 120.4490 55.2135 18.0570 179.3590 31 E 4.0177 8.1090 114.9503 59.4502 29.8331 179.0504 32 I 3.8354 7.7213 119.9578 64.1761 37.4932 177.8934 33 A 4.2096 8.3233 121.3751 53.3262 18.3439 177.1686 34 D 4.3941 7.3645 117.0589 56.3374 41.4942 176.9253 35 G 4.0188 9.0507 114.3467 45.7190 0.0000 173.9945 36 T 4.0748 7.8629 115.7169 63.7432 68.9895 176.6461 37 G 3.8537 8.3658 107.7731 45.6200 0.0000 172.9242 38 L 4.7607 7.0876 117.4964 51.6679 45.0115 177.0410 39 A 4.1582 8.3082 122.7383 52.1416 20.2157 178.5570 40 E 3.8878 8.8611 122.9749 59.4275 29.7818 179.3568 41 A 3.9334 7.9674 120.3197 54.9790 18.4943 179.3135 42 F 3.8654 8.1305 118.6826 61.4131 39.6850 177.5208 43 V 3.6303 8.1982 118.1334 66.2476 31.3502 178.0907 44 T 3.7727 8.2655 115.6820 66.5370 68.2445 176.3872 45 A 3.8333 7.8378 122.4105 54.9105 18.2741 179.4383 46 A 4.2195 7.5826 120.4360 54.8869 18.2594 179.7784 47 L 3.9730 7.6736 115.8744 57.7258 41.7341 178.8674 48 L 4.4777 7.5734 116.2135 54.4989 41.6595 177.4775 49 G 3.9208 8.1767 107.2184 45.5953 0.0000 174.3394 50 Q 4.5171 8.2638 116.0314 55.3714 29.9918 174.8631 51 Q 4.6012 7.4304 115.9895 54.2794 33.8037 173.0913 52 A 4.9884 8.4879 121.6835 50.4515 21.2275 176.2858 53 L 4.7019 8.6090 121.6290 52.6962 43.6942 175.2741 54 P 4.4354 0.0000 0.0000 62.4092 32.2621 177.2996 55 A 4.0021 8.6225 121.9587 55.6234 18.1929 180.0076 56 D 4.2798 8.0944 116.7176 57.3853 40.8959 178.6971 57 A 4.0025 8.0123 120.7540 54.9451 18.4243 179.3594 58 A 3.9594 8.3299 119.6413 55.3880 18.4568 180.1450 59 R 3.8750 8.3342 116.9130 59.0728 30.1937 179.0358 60 L 3.9501 8.1570 120.3154 58.4122 42.2944 179.5618 61 V 3.7900 8.1402 112.6687 64.1690 31.4209 178.6492 62 G 3.7118 8.3691 105.5467 47.9935 0.0000 175.5857 63 A 4.1364 8.1762 123.0534 54.7418 18.1580 179.9227 64 K 4.0179 7.8904 115.8669 58.6445 32.1698 178.5100 65 L 4.4743 7.5787 116.0189 53.2131 42.5199 175.8131 66 D 4.4069 7.6704 117.5242 55.2333 38.8599 174.0945 67 L 4.2669 8.1483 118.0772 54.1943 42.8378 177.8593 68 D 4.7145 8.2767 121.9419 52.7782 41.9909 177.2946 69 E 4.0058 8.5354 118.1891 59.5912 29.3369 179.2507 70 D 4.3539 8.0399 118.5476 57.3760 40.9433 178.7975 71 S 4.1274 8.6172 115.8268 61.7352 62.6386 176.7670 72 I 3.7210 7.5826 121.2182 64.2437 37.1187 177.9800 73 L 4.2568 8.1718 121.2613 58.2037 41.7447 178.9386 74 L 4.0217 8.0930 118.1871 57.8752 41.7993 179.3349 75 L 4.1475 8.1859 118.4625 56.6385 42.5569 177.4058 76 Q 4.9872 7.4759 119.6333 53.7851 27.4666 175.1117 *78 I 4.0889 7.2840 119.3297 60.4586 39.2657 175.0792 79 P 4.6727 0.0000 0.0000 62.2765 32.9059 176.2430 80 L 4.3521 8.2962 123.3346 54.0067 41.3192 176.4454 81 R 4.1408 8.2120 124.4702 55.6489 30.9015 175.0810 82 G 3.0164 8.1093 107.2928 44.9082 0.0000 173.3264 83 C 4.3492 8.1401 122.2675 58.1969 30.7524 174.2305 84 I 4.0351 7.4538 122.1508 60.4630 37.5270 174.7997 85 D 4.4705 8.8813 125.7622 57.0248 41.4425 176.5751 86 D 4.6292 7.1945 115.9800 52.9462 41.3784 174.0002 87 R 4.2672 8.2864 126.7983 56.3610 29.2186 176.9231 88 I 4.0631 7.1802 116.1230 58.2535 39.0498 173.9440 89 P 4.4063 0.0000 0.0000 63.0820 31.7551 176.3637 90 T 4.2588 8.2940 110.8612 62.6935 69.9074 174.8138 91 D 4.5580 7.9608 121.8759 53.0449 42.2020 173.8779 92 P 4.5036 0.0000 0.0000 66.3270 31.5046 178.9227 93 T 3.8187 7.5713 108.3145 64.9541 67.9243 174.3112 *95 Y 4.5981 7.8865 125.1682 57.6592 40.4774 177.1766 96 R 3.9193 8.0633 117.9460 59.4759 30.0938 178.6984 97 F 4.2201 7.9995 116.1166 60.5139 39.2401 176.6112 98 Y 4.1258 7.8360 118.9554 60.0957 38.9389 177.7774 99 E 4.1568 8.0455 122.7794 55.7221 29.0325 178.3552 *101 L 4.2095 7.9028 119.3041 54.7403 44.0350 179.7253 102 Q 3.8177 7.6073 116.8753 58.6194 28.5241 178.5733 103 V 3.6493 7.7998 118.6632 65.0314 32.0329 176.7904 104 Y 4.6832 7.5612 113.0967 57.4367 38.6682 177.6095 105 G 3.6205 8.2161 109.2806 48.1352 0.0000 176.2254 106 T 4.0468 7.8290 111.7634 64.5061 68.8996 176.8558 107 T 3.9255 7.9127 118.4662 66.3411 68.4853 176.4174 108 L 4.0003 8.6085 121.3528 57.5855 41.6316 179.2599 109 K 3.7529 8.0515 119.2530 59.5361 32.1252 178.5002 110 A 4.0246 8.2003 120.9165 55.4208 18.2965 179.7072 111 L 4.0130 8.3549 117.8277 57.6265 41.6429 179.8815 112 V 3.8310 8.0931 118.6428 66.4411 31.3377 177.8655 113 H 4.9825 8.2845 117.3684 58.3175 28.2980 177.4050 114 E 3.9309 8.1499 120.1978 59.3909 29.6054 178.7783 115 K 3.9285 8.1928 117.3585 58.2433 32.1628 178.1378 116 F 4.2664 8.7392 115.5622 60.3937 41.0573 175.1150 117 G 3.9604 7.5091 103.0634 43.3717 0.0000 172.2085 118 D 4.6320 8.6933 119.0956 54.7219 42.2433 175.7045 119 G 4.0614 7.9318 111.2249 45.2814 0.0000 172.2946 120 I 4.7932 8.3000 114.8325 59.2767 41.8492 174.6415 121 I 4.5782 8.1141 123.5780 59.8901 37.9625 175.9529 122 S 4.2368 9.0507 123.1117 58.2123 62.8940 173.6724 123 A 4.0277 8.4514 127.4040 51.9292 19.2797 176.8636 124 I 4.3153 7.9048 116.8940 63.6360 39.2050 176.9169 125 N 4.7625 7.8315 122.5833 52.0333 37.6775 172.0881 126 F 5.3113 7.9814 121.7874 56.6743 42.7805 172.3899 127 K 4.5910 7.9660 124.0589 55.2239 36.3591 174.6773 128 L 5.5335 8.2758 119.7098 53.5082 43.9214 174.8244 129 D 4.8197 8.3834 117.6526 51.9848 43.2546 173.8350 130 V 4.8368 8.3558 119.3845 61.1561 33.7577 174.7132 131 K 4.7251 9.0971 127.0447 54.4249 35.7035 174.8690 132 K 4.8846 8.6159 124.9315 55.2388 33.6833 175.7226 133 V 4.5801 8.7430 126.4570 60.6664 34.9728 174.5144 134 A 4.3930 8.6998 129.0699 52.0595 19.3130 176.3426 135 D 4.6162 8.9098 121.5399 52.6456 42.1643 175.9132 136 P 4.3361 0.0000 0.0000 65.0720 31.7035 176.7961 137 E 4.2180 8.5965 117.5691 55.7623 29.8364 175.8125 138 G 4.0367 8.5693 107.4732 45.2259 0.0000 175.3950 139 G 3.8455 9.4049 108.4222 43.8572 0.0000 171.7063 140 E 5.1703 8.2808 116.4385 54.7434 33.6787 175.4798 141 R 4.8136 9.3237 119.9861 54.4298 34.5740 174.0797 142 A 5.0247 8.5960 123.2160 50.4792 21.0743 176.5146 143 V 4.1962 8.8273 123.1964 61.4110 33.4484 174.5527 144 I 4.8063 8.4251 129.5587 60.0886 39.0792 175.3719 145 T 4.4971 8.7082 125.0213 61.9484 70.2836 173.7311 146 L 4.8202 8.5357 126.9905 53.2357 43.5215 175.8950 147 D 4.5819 8.5502 123.5420 52.4635 43.5388 174.0714 148 G 4.6839 8.5262 111.8765 43.7724 0.0000 170.6652 149 K 4.3446 8.7867 123.7500 56.1337 33.6110 175.3544 150 Y 4.7388 8.5326 128.0461 57.4009 39.7509 174.3184 151 L 4.4907 8.4121 126.7964 52.0028 44.4651 174.3176 152 P 4.5207 0.0000 0.0000 62.7201 32.5460 175.9871 153 T 4.4559 8.5395 118.9343 62.5300 69.5212 174.2921 154 K 4.6394 8.4875 125.4917 53.4220 35.3593 174.5927 155 P 4.3936 0.0000 0.0000 62.9032 31.9583 176.6714 156 F 4.5104 7.6449 114.3602 57.2218 37.9376 174.4476 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 I 8.02 4.17 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.91 0.00 0.00 3 Q 8.36 4.48 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.15 4.97 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.79 4.57 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 6 I 8.14 4.46 1.87 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 1.30 0.66 0.91 0.00 0.00 7 N 7.84 4.91 0.00 2.76 2.67 0.00 0.00 6.94 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.62 3.95 0.00 2.06 2.28 0.00 3.12 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.88 4.32 0.00 2.84 2.91 0.00 0.00 6.86 6.94 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 10 I 7.46 3.68 1.87 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 1.52 1.26 0.91 0.00 0.00 11 R 7.90 4.02 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.51 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.27 4.01 0.00 1.67 1.71 0.91 1.30 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 13 D 8.43 4.37 0.00 2.90 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 14 L 7.91 3.89 0.00 1.79 1.85 0.92 1.19 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 15 A 8.26 4.13 1.42 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 0.00 0.00 16 D 8.07 4.31 0.00 2.91 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 17 A 8.01 4.00 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 18 I 8.21 3.64 2.09 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 1.53 0.76 0.96 0.00 0.00 19 L 8.39 4.03 0.00 1.82 1.74 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.00 3.95 0.00 1.77 1.79 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.27 4.02 0.00 3.90 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 22 K 8.31 3.71 0.00 1.79 1.91 0.00 1.13 0.00 0.00 1.17 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.23 7.81 23 A 8.02 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 24 K 8.13 3.96 0.00 1.85 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 25 K 8.05 4.19 0.00 1.75 1.82 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.50 7.81 26 D 7.63 4.29 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.73 4.67 0.00 1.72 1.44 0.92 0.60 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 28 S 8.43 4.64 0.00 4.05 3.94 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 29 F 8.42 4.27 0.00 3.21 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.12 4.14 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 31 E 8.11 4.02 0.00 2.15 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 0.00 2.54 2.32 0.00 32 I 7.72 3.84 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 0.97 0.00 0.00 33 A 8.32 4.21 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.36 4.39 0.00 2.78 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 35 G 9.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.86 4.07 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 37 G 8.37 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 38 L 7.09 4.76 0.00 1.78 1.61 1.03 0.60 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 39 A 8.31 4.16 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 40 E 8.86 3.89 0.00 2.08 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 2.40 2.46 0.00 41 A 7.97 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.13 3.87 0.00 3.20 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 43 V 8.20 3.63 2.16 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 1.05 0.00 0.00 1.13 0.00 0.00 44 T 8.27 3.77 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 0.36 0.00 0.00 45 A 7.84 3.83 1.18 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 0.00 0.00 0.00 46 A 7.58 4.22 1.24 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 0.00 0.00 0.00 47 L 7.67 3.97 0.00 1.86 1.84 1.15 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.57 4.48 0.00 1.54 1.64 0.74 0.84 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 49 G 8.18 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 50 Q 8.26 4.52 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 51 Q 7.43 4.60 0.00 1.34 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 1.98 1.31 0.00 52 A 8.49 4.99 1.24 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 0.00 0.00 0.00 53 L 8.61 4.70 0.00 1.65 1.64 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.44 0.00 2.20 1.99 0.00 3.70 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 2.13 2.11 0.00 55 A 8.62 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.09 4.28 0.00 2.71 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 57 A 8.01 4.00 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 58 A 8.33 3.96 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.33 3.88 0.00 2.09 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 60 L 8.16 3.95 0.00 1.87 1.79 0.93 1.10 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 61 V 8.14 3.79 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 0.98 0.00 0.00 1.04 0.00 0.00 62 G 8.37 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 63 A 8.18 4.14 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 64 K 7.89 4.02 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.74 7.81 65 L 7.58 4.47 0.00 1.74 1.67 0.95 0.90 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 66 D 7.67 4.41 0.00 2.77 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 67 L 8.15 4.27 0.00 1.60 1.59 0.93 0.96 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 68 D 8.28 4.71 0.00 2.95 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 69 E 8.54 4.01 0.00 2.00 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 0.00 2.40 2.34 0.00 70 D 8.04 4.35 0.00 2.68 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 71 S 8.62 4.13 0.00 4.02 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 72 I 7.58 3.72 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.92 0.00 0.00 73 L 8.17 4.26 0.00 1.83 1.86 0.93 0.54 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 74 L 8.09 4.02 0.00 1.78 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.19 4.15 0.00 1.88 1.73 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.48 4.99 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.39 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 *78 I 7.28 4.09 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.92 0.00 0.00 79 P 0.00 4.67 0.00 2.11 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 80 L 8.30 4.35 0.00 1.67 1.64 0.91 0.96 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 81 R 8.21 4.14 0.00 1.82 1.88 0.00 3.24 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 82 G 8.11 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 0.00 0.00 0.00 83 C 8.14 4.35 0.00 3.05 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 84 I 7.45 4.04 1.85 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 1.29 0.53 0.89 0.00 0.00 85 D 8.88 4.47 0.00 2.61 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 86 D 7.19 4.63 0.00 2.57 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 87 R 8.29 4.27 0.00 1.98 2.06 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.18 4.06 1.74 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.57 0.00 0.00 89 P 0.00 4.41 0.00 2.18 2.05 0.00 3.37 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 90 T 8.29 4.26 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 91 D 7.96 4.56 0.00 2.68 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 92 P 0.00 4.50 0.00 2.26 2.13 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.57 3.82 4.50 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 1.34 0.00 0.00 *95 Y 7.89 4.60 0.00 3.23 3.22 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 96 R 8.06 3.92 0.00 1.51 1.73 0.00 3.40 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 97 F 8.00 4.22 0.00 3.09 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 98 Y 7.84 4.13 0.00 2.92 2.61 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 0.00 0.00 0.00 0.00 99 E 8.05 4.16 0.00 1.94 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 2.30 2.38 0.00 *101 L 7.90 4.21 0.00 1.60 1.59 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.61 3.82 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.96 0.00 0.00 0.00 0.00 0.00 1.69 2.36 0.00 103 V 7.80 3.65 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 0.22 0.00 0.00 0.83 0.00 0.00 104 Y 7.56 4.68 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 0.00 105 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 0.00 106 T 7.83 4.05 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 1.20 0.00 0.00 107 T 7.91 3.93 4.61 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 0.00 0.00 0.00 1.35 0.00 0.00 108 L 8.61 4.00 0.00 1.83 1.73 0.95 0.90 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 0.00 109 K 8.05 3.75 0.00 1.84 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.46 7.81 110 A 8.20 4.02 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 0.00 111 L 8.35 4.01 0.00 1.77 1.76 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.09 3.83 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 1.00 0.00 0.00 0.99 0.00 0.00 113 H 8.28 4.98 0.00 3.26 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.15 3.93 0.00 2.04 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 2.29 2.33 0.00 115 K 8.19 3.93 0.00 1.49 1.11 0.00 1.70 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.50 7.81 116 F 8.74 4.27 0.00 2.36 1.45 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 0.00 0.00 0.00 0.00 117 G 7.51 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 0.00 118 D 8.69 4.63 0.00 2.72 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 0.00 119 G 7.93 4.06 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 0.00 120 I 8.30 4.79 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.91 0.00 0.00 121 I 8.11 4.58 1.83 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.72 0.92 0.00 0.00 122 S 9.05 4.24 0.00 3.91 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 0.00 123 A 8.45 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.90 4.32 1.88 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 1.16 0.96 0.93 0.00 0.00 125 N 7.83 4.76 0.00 2.80 2.75 0.00 0.00 6.54 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 0.00 126 F 7.98 5.31 0.00 3.16 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 0.00 127 K 7.97 4.59 0.00 1.62 1.67 0.00 1.21 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 1.13 7.81 128 L 8.28 5.53 0.00 1.72 1.48 1.00 0.89 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 0.00 129 D 8.38 4.82 0.00 2.66 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 0.00 130 V 8.36 4.84 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 9.10 4.73 0.00 1.70 1.65 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.38 7.81 132 K 8.62 4.88 0.00 1.78 1.71 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 133 V 8.74 4.58 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 0.73 0.00 0.00 0.94 0.00 0.00 134 A 8.70 4.39 1.24 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 0.00 0.00 0.00 135 D 8.91 4.62 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.34 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 137 E 8.60 4.22 0.00 2.04 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 2.31 2.25 0.00 138 G 8.57 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 0.00 139 G 9.40 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 0.00 140 E 8.28 5.17 0.00 1.82 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 2.21 2.32 0.00 141 R 9.32 4.81 0.00 1.66 1.77 0.00 3.24 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.60 5.02 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 0.00 143 V 8.83 4.20 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 1.06 0.00 0.00 0.94 0.00 0.00 144 I 8.43 4.81 2.02 0.00 0.00 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 1.44 0.71 0.99 0.00 0.00 145 T 8.71 4.50 4.42 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 1.18 0.00 0.00 146 L 8.54 4.82 0.00 1.65 1.96 1.02 1.19 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 0.00 147 D 8.55 4.58 0.00 2.57 2.39 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 0.00 148 G 8.53 4.68 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 0.00 149 K 8.79 4.34 0.00 1.89 1.69 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 150 Y 8.53 4.74 0.00 2.28 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 0.00 151 L 8.41 4.49 0.00 1.41 1.36 0.86 1.06 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 0.00 152 P 0.00 4.52 0.00 2.05 1.96 0.00 3.48 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 153 T 8.54 4.46 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 154 K 8.49 4.64 0.00 1.76 1.73 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.43 7.81 155 P 0.00 4.39 0.00 2.01 1.91 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 156 F 7.64 4.51 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.