NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5742 8.2227 120.3126 52.7249 41.0700 175.6661 4 I 3.4624 8.1478 118.1179 64.0139 37.3999 175.9930 5 N 4.4112 8.9088 117.4186 56.0241 39.1383 176.3854 6 E 4.4361 8.4260 121.7308 58.7557 29.5693 179.1674 7 I 3.8210 7.7426 119.8116 64.5362 37.0381 178.3199 8 R 4.3301 7.9790 116.2652 57.9899 30.0900 178.1383 9 E 4.0685 8.3111 119.1766 58.4984 29.3203 177.9659 10 Y 4.0203 7.7833 115.1447 57.9922 39.0716 175.7135 11 L 4.7989 7.8646 119.9601 52.4626 43.1198 174.9929 12 P 4.4640 0.0000 0.0000 64.2952 31.9756 176.4774 13 H 4.3179 8.1467 116.2732 56.5479 29.2124 174.1940 14 R 4.7107 8.1465 119.4064 54.7193 34.3131 173.6576 15 Y 4.4923 8.6664 119.9270 57.9989 39.2131 174.6618 16 P 4.4481 0.0000 0.0000 62.6557 31.4086 175.4317 17 F 4.3339 9.1519 113.1135 57.8854 40.6448 175.1432 18 L 4.4947 8.0989 123.3382 53.9640 41.7424 175.9531 19 L 4.6262 8.8431 128.7830 54.2363 42.2232 177.0196 20 V 4.2260 7.6526 117.8476 61.4191 33.4680 174.3588 21 D 4.6157 8.5484 127.5266 55.5972 41.9518 177.0023 22 R 4.1923 7.0582 115.5155 55.1913 33.4204 173.2787 23 V 4.3939 8.3230 125.8173 61.7519 32.1769 175.3765 24 V 4.1659 8.7296 122.0275 62.8777 32.8343 176.3958 25 E 4.6521 7.9726 119.4084 54.3974 33.4932 174.3496 26 L 4.7503 8.4369 126.7089 53.4397 43.5462 174.3488 27 D 4.5941 8.8471 125.2589 52.8368 40.7119 176.6164 28 I 3.7565 8.2168 126.5796 63.8784 37.7370 178.3518 29 E 3.8887 8.3779 119.8609 58.7201 29.4668 177.3629 30 G 3.8995 8.3763 104.8591 44.2828 0.0000 173.3815 31 K 3.8916 8.0734 119.3455 56.9644 30.3918 173.8928 32 R 5.3057 8.3363 113.8057 54.8728 33.9890 175.2102 33 I 5.0453 8.6460 119.1162 59.4625 42.2221 173.9890 34 R 5.1896 8.9995 125.7203 54.5939 33.7415 174.5213 35 A 5.3777 9.0487 124.8546 51.3807 23.5844 173.5820 36 Y 5.2900 8.7866 115.4788 56.1274 42.0106 173.8366 37 K 4.9052 9.1833 121.1325 54.7342 35.4869 174.5495 38 N 5.0721 10.0946 125.8877 52.6870 39.8152 174.6244 39 V 4.6462 8.6521 123.9476 61.7274 33.3318 174.5901 40 S 4.9809 9.5016 122.0690 56.4623 65.2599 173.9443 41 I 3.4427 8.5316 124.8092 62.7632 38.2015 175.2065 42 N 4.8223 7.7272 119.0457 54.3500 39.0013 174.3815 43 E 4.7250 7.7529 116.6392 53.3273 32.3177 175.5685 44 P 4.2482 0.0000 0.0000 66.1465 31.2035 178.3221 45 F 4.3620 7.5240 113.4894 59.1372 37.7177 177.3786 46 F 4.4687 7.2307 118.4888 60.5455 38.3824 177.1342 47 N 4.6083 7.8267 115.9824 55.1525 38.3676 176.4703 48 G 4.1809 7.6825 104.4443 44.1551 0.0000 173.6136 49 H 3.8493 7.8886 120.2945 54.2312 30.4776 171.5186 50 F 5.0556 9.1171 121.5390 54.2312 43.5358 172.9494 51 P 4.4258 0.0000 0.0000 64.5948 31.2401 176.7226 52 E 3.8406 9.5811 120.7124 57.2435 27.4006 175.3572 53 H 4.9117 8.3723 117.0687 54.0000 31.0412 168.9631 54 P 4.9636 0.0000 0.0000 61.8454 31.8635 175.4025 55 I 4.7786 8.8782 129.5110 60.1415 41.1565 175.6262 *57 P 3.5982 0.0000 0.0000 62.9094 32.1507 176.8594 58 G 3.0162 8.3796 110.6499 47.8464 0.0000 176.2397 59 V 3.7476 7.5558 114.1360 64.2526 31.5430 178.4698 60 L 3.8020 7.4665 118.1900 57.3322 41.0754 179.5126 61 I 3.6643 7.3268 119.4790 64.2136 37.0783 178.1257 62 I 3.7171 7.6239 119.2966 64.2438 37.3345 177.3553 63 E 3.8982 7.9837 119.8853 59.1684 29.3172 179.5337 64 A 3.8634 7.7131 117.1633 52.7191 18.1910 178.8537 *66 A 4.0413 7.9706 125.5871 53.7643 20.6894 180.1935 67 Q 3.8496 8.0198 114.5657 59.0052 28.7091 178.8687 68 A 3.8226 7.8974 121.6085 54.6998 18.2709 179.3677 69 A 3.3185 7.6311 119.0090 55.0230 18.3162 179.7086 70 G 2.7122 7.3263 103.8820 47.7859 0.0000 175.6117 71 I 3.7287 7.1602 122.5582 63.9943 36.8789 178.1511 72 L 3.9110 7.3152 119.7594 57.9701 41.9448 178.8537 73 G 3.5807 7.1816 105.8145 47.1705 0.0000 175.3035 74 F 4.6787 7.7726 120.6753 59.7514 39.0312 179.0822 75 K 4.2353 8.2398 121.2525 55.8439 31.5605 177.6583 *77 L 4.3879 7.6946 114.4644 53.4903 43.2515 176.6003 78 D 4.4839 7.8245 116.5239 55.2576 38.9275 174.0447 79 V 4.1225 7.9274 117.5365 62.3104 32.8027 176.2487 80 K 4.2999 8.1409 125.6815 53.9591 31.6600 173.2232 81 P 4.2203 0.0000 0.0000 62.2619 32.8153 177.0283 *84 G 3.8355 8.2013 102.6525 46.5315 0.0000 172.5150 85 T 5.2222 8.0245 115.5660 61.8602 70.7679 174.7300 86 L 4.8905 9.1892 126.1682 53.8245 46.2082 175.0771 87 Y 4.5952 8.8003 123.5619 56.9444 38.4080 174.0341 88 Y 4.3707 9.0756 123.3058 57.6956 39.4975 175.4328 89 F 5.0419 9.1622 126.3851 58.4833 39.2621 175.0986 90 V 4.1265 8.9295 119.8437 60.4896 32.7256 176.0190 91 G 3.8211 6.7418 108.2665 46.6548 0.0000 171.3935 92 S 5.2736 8.1960 112.6957 57.2528 64.9232 172.9107 93 D 4.9463 8.6185 124.3706 52.4221 44.4818 176.3727 94 K 3.9728 8.1072 118.4416 57.8372 31.4239 174.7103 95 L 4.3268 7.4343 122.3899 55.3471 43.4385 175.5937 96 R 4.6907 8.6836 124.2815 54.4367 34.7874 173.9106 97 F 4.9227 8.7891 120.8193 56.2478 40.7386 174.9831 98 R 4.4389 9.0745 124.9920 57.1539 29.6700 176.4546 99 Q 4.7630 7.7499 117.6115 53.2401 31.8754 173.6155 100 P 4.4440 0.0000 0.0000 62.7303 32.1776 175.6996 101 V 4.3621 8.1618 119.7275 61.6039 32.8275 175.1201 102 L 5.0012 8.9957 126.1806 51.7508 45.0603 174.2177 103 P 4.3824 0.0000 0.0000 64.5405 31.5691 176.5047 104 G 4.0855 8.6560 110.7551 45.5174 0.0000 173.9490 105 D 4.5726 8.3687 119.6099 54.2341 42.3792 175.6448 106 Q 4.7361 8.4295 122.7070 54.2309 30.4954 174.9772 107 L 4.2580 8.9634 131.1490 54.7806 43.1139 175.6757 108 Q 4.7489 9.1916 127.3625 55.4018 30.3922 175.1463 109 L 5.2261 9.3420 123.7674 53.2382 44.9201 175.2037 110 H 5.8214 9.6510 120.1209 52.9423 32.8201 172.5472 111 A 5.0952 8.5056 122.8784 50.1745 22.6525 174.5575 112 K 5.1610 9.3638 123.5583 54.1146 35.6662 175.1656 113 F 4.5836 9.3555 130.5070 59.2898 39.3387 173.8536 114 I 4.1065 7.5800 126.8341 62.0177 38.3834 175.7167 115 S 3.9613 6.3949 113.4586 57.7003 65.9921 173.7081 116 V 4.4760 7.8359 118.5277 60.3030 34.2175 174.5591 117 K 4.2831 8.5009 124.8083 54.9853 34.2381 178.2025 118 R 3.8651 8.2726 129.3937 57.4399 28.5127 177.8254 119 S 4.6542 9.0301 124.0692 59.1862 63.8418 172.9624 120 I 4.8996 7.7090 123.5711 60.1529 38.4759 174.5640 121 W 5.2084 10.0259 128.3038 54.9227 31.9161 175.6080 122 K 5.0996 8.5881 122.3631 54.7008 34.8065 175.3183 123 F 5.2909 9.5676 123.5856 55.6558 43.1862 173.8745 124 D 5.1286 9.7546 122.7753 53.2856 42.4598 174.9955 125 C 5.4824 9.2630 123.8715 58.6281 32.0018 172.9055 126 H 5.3251 9.0833 116.8061 54.6691 33.6154 172.4049 127 A 5.7495 9.3388 121.9255 49.7924 22.6665 175.3130 128 T 5.0308 8.3224 109.9407 60.2537 73.0795 172.6423 129 V 4.4760 8.3937 122.8448 61.4644 34.1895 175.4099 130 D 4.5089 9.4070 128.4737 55.9492 38.2169 173.5512 131 D 4.4557 8.4506 113.1658 55.0141 39.5999 173.9340 132 K 4.5980 7.7111 119.0160 53.4934 33.8986 174.3369 133 P 4.6594 0.0000 0.0000 63.2387 31.8988 176.0459 134 V 4.3945 8.4817 120.2348 63.9066 34.5792 174.4888 135 C 5.2021 7.8638 117.2464 58.7527 34.7527 172.7395 136 S 4.9298 8.1364 117.3296 57.3687 66.4798 172.7170 137 A 4.4818 8.2665 121.7385 51.8707 23.5131 175.0489 138 E 4.9713 8.0615 118.3847 54.9582 31.4806 175.7309 139 I 4.6600 8.6562 126.5321 60.4988 39.2885 175.1737 140 I 5.1645 8.8357 126.8866 59.9436 39.7464 174.4722 141 C 5.7558 9.8655 124.5618 58.0243 32.5242 173.1985 142 A 5.1419 9.0706 123.4988 49.9582 20.9017 175.4353 143 E 3.9668 9.1553 124.5916 57.2327 30.1366 176.3139 144 R 4.8321 9.1616 125.5279 54.0856 35.5190 174.3337 145 K 4.5420 8.6118 122.1433 55.9647 32.9728 176.3851 146 L 4.3452 8.8883 128.9876 55.5713 41.6061 176.5061 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 3 D 8.22 4.57 0.00 2.83 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 4 I 8.15 3.46 1.84 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 1.63 1.18 0.90 0.00 0.00 5 N 8.91 4.41 0.00 2.73 2.86 0.00 0.00 6.93 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 6 E 8.43 4.44 0.00 2.21 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 2.37 2.40 0.00 7 I 7.74 3.82 2.07 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.90 0.00 0.00 8 R 7.98 4.33 0.00 1.79 1.99 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 9 E 8.31 4.07 0.00 2.15 1.63 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 2.22 2.50 0.00 10 Y 7.78 4.02 0.00 3.08 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 11 L 7.86 4.80 0.00 1.65 1.71 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.46 0.00 2.14 2.15 0.00 3.93 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 1.88 1.96 0.00 13 H 8.15 4.32 0.00 3.15 3.54 0.00 5.88 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 14 R 8.15 4.71 0.00 1.84 1.88 0.00 3.34 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 15 Y 8.67 4.49 0.00 2.90 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 16 P 0.00 4.45 0.00 1.84 0.74 0.00 3.69 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.72 0.00 17 F 9.15 4.33 0.00 2.82 3.09 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 18 L 8.10 4.49 0.00 1.64 1.65 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.84 4.63 0.00 1.43 1.47 0.42 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.65 4.23 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 0.72 0.00 0.00 0.82 0.00 0.00 21 D 8.55 4.62 0.00 2.52 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 22 R 7.06 4.19 0.00 1.36 0.66 0.00 3.25 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 23 V 8.32 4.39 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.83 0.00 0.00 24 V 8.73 4.17 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 0.94 0.00 0.00 1.03 0.00 0.00 25 E 7.97 4.65 0.00 1.99 1.71 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 2.26 2.28 0.00 26 L 8.44 4.75 0.00 1.58 1.49 0.86 1.08 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 27 D 8.85 4.59 0.00 2.87 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 3.76 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 1.30 0.49 0.92 0.00 0.00 29 E 8.38 3.89 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 30 G 8.38 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 31 K 8.07 3.89 0.00 2.11 1.99 0.00 1.79 0.00 0.00 1.38 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.46 7.81 32 R 8.34 5.31 0.00 1.83 2.02 0.00 2.89 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 33 I 8.65 5.05 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.56 0.93 0.00 0.00 34 R 9.00 5.19 0.00 1.76 1.81 0.00 3.06 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 35 A 9.05 5.38 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.79 5.29 0.00 3.04 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 37 K 9.18 4.91 0.00 1.87 1.68 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.32 1.62 7.81 38 N 10.09 5.07 0.00 2.84 2.82 0.00 0.00 6.90 6.89 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 39 V 8.65 4.65 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 1.36 0.00 0.00 1.08 0.00 0.00 40 S 9.50 4.98 0.00 3.88 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 41 I 8.53 3.44 1.63 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 1.14 0.68 0.83 0.00 0.00 42 N 7.73 4.82 0.00 2.72 2.77 0.00 0.00 6.93 7.62 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 43 E 7.75 4.72 0.00 1.27 1.20 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 2.26 2.45 0.00 44 P 0.00 4.25 0.00 2.17 2.38 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.77 0.00 45 F 7.52 4.36 0.00 3.07 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 46 F 7.23 4.47 0.00 3.06 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 47 N 7.83 4.61 0.00 2.90 2.93 0.00 0.00 6.83 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 48 G 7.68 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 0.00 0.00 0.00 0.00 49 H 7.89 3.85 0.00 2.81 2.94 0.00 5.53 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 50 F 9.12 5.06 0.00 3.18 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 51 P 0.00 4.43 0.00 2.12 2.09 0.00 4.02 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.42 0.00 52 E 9.58 3.84 0.00 2.10 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 2.17 2.32 0.00 53 H 8.37 4.91 0.00 3.27 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.96 0.00 1.48 1.84 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 55 I 8.88 4.78 2.13 0.00 0.00 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 1.39 1.06 1.04 0.00 0.00 *57 P 0.00 3.60 0.00 1.56 1.55 0.00 2.36 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.17 0.00 58 G 8.38 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 59 V 7.56 3.75 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 0.81 0.00 0.00 60 L 7.47 3.80 0.00 1.33 1.19 -0.18 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.33 3.66 2.25 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.95 0.00 0.00 62 I 7.62 3.72 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.88 0.57 0.00 0.00 63 E 7.98 3.90 0.00 1.97 1.85 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 1.89 2.18 0.00 64 A 7.71 3.86 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 *66 A 7.97 4.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.02 3.85 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.00 2.29 0.00 68 A 7.90 3.82 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 69 A 7.63 3.32 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.33 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 0.00 0.00 0.00 71 I 7.16 3.73 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.61 0.00 0.00 72 L 7.32 3.91 0.00 1.52 1.69 0.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.18 3.58 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 0.00 0.00 0.00 74 F 7.77 4.68 0.00 3.39 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.24 4.24 0.00 1.98 1.73 0.00 1.38 0.00 0.00 1.15 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.49 7.81 *77 L 7.69 4.39 0.00 1.89 1.86 1.30 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.82 4.48 0.00 2.81 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 79 V 7.93 4.12 2.48 0.00 0.00 0.00 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 1.25 0.00 0.00 80 K 8.14 4.30 0.00 1.66 1.55 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.30 7.81 81 P 0.00 4.22 0.00 1.77 1.57 0.00 3.23 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.00 *84 G 8.20 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.02 5.22 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 86 L 9.19 4.89 0.00 1.63 1.39 0.90 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.80 4.60 0.00 2.92 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 88 Y 9.08 4.37 0.00 2.98 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 89 F 9.16 5.04 0.00 3.01 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.93 4.13 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 0.81 0.00 0.00 1.04 0.00 0.00 91 G 6.74 3.82 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 0.00 0.00 0.00 92 S 8.20 5.27 0.00 4.16 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 93 D 8.62 4.95 0.00 2.57 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 94 K 8.11 3.97 0.00 1.92 2.08 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.39 7.81 95 L 7.43 4.33 0.00 1.58 1.61 0.33 1.05 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 96 R 8.68 4.69 0.00 1.69 1.67 0.00 3.15 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 97 F 8.79 4.92 0.00 2.90 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 98 R 9.07 4.44 0.00 1.88 1.94 0.00 3.29 0.00 0.00 3.29 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 99 Q 7.75 4.76 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 100 P 0.00 4.44 0.00 2.27 2.14 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 101 V 8.16 4.36 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 0.97 0.00 0.00 0.98 0.00 0.00 102 L 9.00 5.00 0.00 1.70 1.51 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.38 0.00 1.83 1.69 0.00 3.52 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 1.46 0.90 0.00 104 G 8.66 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 0.00 105 D 8.37 4.57 0.00 2.79 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 0.00 106 Q 8.43 4.74 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.08 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 107 L 8.96 4.26 0.00 1.85 1.75 0.94 0.92 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 0.00 108 Q 9.19 4.75 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 109 L 9.34 5.23 0.00 1.50 1.49 0.87 0.82 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 0.00 110 H 9.65 5.82 0.00 3.06 3.14 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.51 5.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.36 5.16 0.00 1.84 1.71 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.44 7.81 113 F 9.36 4.58 0.00 3.20 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 0.00 114 I 7.58 4.11 1.75 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 1.20 0.87 0.72 0.00 0.00 115 S 6.39 3.96 0.00 3.59 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 0.00 116 V 7.84 4.48 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 0.42 0.00 0.00 0.02 0.00 0.00 117 K 8.50 4.28 0.00 1.68 1.63 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.31 7.81 118 R 8.27 3.87 0.00 1.98 1.22 0.00 3.24 0.00 0.00 3.27 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 119 S 9.03 4.65 0.00 4.25 4.14 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 0.00 0.00 0.00 120 I 7.71 4.90 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.25 0.96 0.00 0.00 121 W 10.03 5.21 0.00 3.46 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 0.00 122 K 8.59 5.10 0.00 1.43 1.57 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.30 7.81 123 F 9.57 5.29 0.00 2.97 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 0.00 124 D 9.75 5.13 0.00 2.73 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 0.00 125 C 9.26 5.48 0.00 2.87 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 0.00 126 H 9.08 5.33 0.00 3.09 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 9.34 5.75 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 0.00 128 T 8.32 5.03 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 1.17 0.00 0.00 129 V 8.39 4.48 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 1.03 0.00 0.00 1.02 0.00 0.00 130 D 9.41 4.51 0.00 2.84 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 0.00 131 D 8.45 4.46 0.00 2.83 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 0.00 132 K 7.71 4.60 0.00 1.93 1.70 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.55 7.81 133 P 0.00 4.66 0.00 2.19 2.07 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 134 V 8.48 4.39 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 1.09 0.00 0.00 1.00 0.00 0.00 135 C 7.86 5.20 0.00 3.06 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 0.00 136 S 8.14 4.93 0.00 3.72 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 0.00 137 A 8.27 4.48 1.13 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 0.00 138 E 8.06 4.97 0.00 1.96 1.91 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 2.23 2.25 0.00 139 I 8.66 4.66 2.07 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 1.26 0.79 1.16 0.00 0.00 140 I 8.84 5.16 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 1.28 0.94 1.03 0.00 0.00 141 C 9.87 5.76 0.00 3.34 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 9.07 5.14 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 0.00 143 E 9.16 3.97 0.00 1.47 1.91 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 2.18 1.64 0.00 144 R 9.16 4.83 0.00 1.83 1.74 0.00 3.26 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 145 K 8.61 4.54 0.00 1.81 1.76 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.47 7.81 146 L 8.89 4.35 0.00 1.77 1.57 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.