NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3701 8.2649 122.4628 51.7282 19.8104 176.9724 3 E 4.2339 8.3099 118.5743 57.6554 31.2588 174.6844 4 T 5.1013 8.6792 117.8030 61.8017 72.5145 172.8409 5 K 4.4442 9.2112 127.8425 54.7241 34.2546 174.7459 6 I 5.0241 8.3489 127.7850 59.5193 40.1918 175.1157 7 V 4.4536 8.7962 126.4399 61.0460 34.8694 174.1273 8 V 5.2618 7.6933 126.8783 60.4809 34.0142 174.4835 9 G 4.1700 8.2603 113.5478 45.5151 0.0000 172.0845 10 P 4.7777 0.0000 0.0000 64.3991 31.8261 177.3295 11 Q 4.1197 8.0021 117.7580 55.0580 29.1594 174.5171 12 P 4.3093 0.0000 0.0000 62.5661 32.0657 175.2601 13 F 4.9576 7.5324 113.6890 54.9206 40.8842 174.4844 14 S 4.5518 8.2827 114.5514 55.7082 64.5958 174.5441 15 V 3.4263 8.7313 127.7471 66.1667 30.9798 178.0564 16 G 3.6320 8.0248 103.9033 47.5360 0.0000 174.8411 17 E 4.2537 7.9645 119.8450 58.6507 29.8303 178.2399 18 E 4.2423 7.8906 118.0187 58.6281 29.8551 178.0186 19 Y 4.1025 8.2552 119.9437 60.2534 38.6745 176.2072 20 P 4.2552 0.0000 0.0000 65.4561 31.6264 178.0302 21 W 4.1793 8.1822 126.4752 60.3272 30.5104 177.4397 22 L 3.7444 7.6887 119.0529 57.6508 41.5360 177.9237 23 A 4.2680 7.0182 117.2421 51.7146 19.0163 177.4722 24 E 3.8796 7.3692 122.0161 59.5970 30.2209 178.0148 25 R 4.0958 7.4963 118.2122 55.5359 30.8037 177.1649 26 D 4.3853 8.7052 122.9015 57.2553 41.0143 177.7427 27 E 4.0908 7.9942 115.5616 58.4382 30.2052 177.2279 28 D 4.5744 7.7618 121.9023 53.3088 39.1852 176.6297 29 G 3.8442 8.0492 108.0324 47.1362 0.0000 170.7069 30 A 4.8177 8.2635 123.2119 49.9174 21.8917 175.2100 31 V 4.6246 8.3898 122.0264 60.9934 34.2262 174.6706 32 V 4.4441 8.7195 128.2707 61.1274 34.0222 174.3066 33 T 5.0476 8.5189 116.6116 59.8042 71.9986 172.7928 34 F 4.8554 8.9198 125.0479 56.7563 42.7684 173.4745 35 T 4.9119 7.8354 121.8185 61.5689 71.2566 173.3789 36 G 4.2258 8.8656 113.2402 44.3640 0.0000 172.4353 37 K 5.2212 8.4124 122.2446 53.8514 35.8053 176.1040 38 V 3.6145 8.4899 122.6870 63.5211 32.5529 175.7447 39 R 4.8148 8.5032 127.7125 54.5575 29.0595 174.0790 *47 V 3.8689 7.7895 119.5355 62.4961 32.5301 174.3797 48 N 4.9417 8.4985 123.5714 50.9968 41.7904 174.1633 49 A 3.2917 7.5095 122.6887 51.4939 19.8772 176.2499 50 L 5.0385 8.2938 119.9027 53.1861 45.1397 175.8045 51 T 5.0027 8.7734 118.3602 61.8066 72.2760 173.2128 52 L 5.0965 8.4572 126.2068 53.1348 42.5499 176.0623 53 E 4.6780 9.3748 126.3588 56.6799 31.0598 175.0460 54 H 5.3398 8.8906 119.0015 55.1788 32.1451 172.6845 55 Y 4.6348 8.4049 120.7224 55.4501 38.1276 174.0319 56 P 4.2376 0.0000 0.0000 65.3201 31.6848 178.3063 57 G 3.7189 8.1610 104.3630 46.9421 0.0000 173.3576 58 M 4.2802 7.3640 118.7446 55.6200 34.7500 177.6325 59 T 3.5789 7.7530 109.4164 64.9121 68.7004 176.0896 60 E 3.9820 8.0185 121.2862 58.6775 29.5440 179.0678 61 K 3.8886 7.9274 119.0205 59.3722 32.4414 178.5567 62 A 3.9624 8.2492 121.4334 55.1490 18.2910 179.6138 63 L 3.9634 7.8763 116.9683 57.9155 41.6304 179.6227 64 A 4.0449 8.1896 120.7435 55.2614 18.3297 179.5935 65 E 3.9665 8.4377 117.1480 59.3918 29.4664 179.6824 66 I 3.8611 7.7775 119.8195 64.4289 37.1772 178.6326 67 V 3.6793 7.8671 119.1386 66.0067 31.1141 177.6771 68 D 4.3840 8.1645 117.9670 57.4358 41.1179 178.1584 69 E 4.0537 8.3070 119.3911 59.2204 29.7046 178.5264 70 A 3.9532 8.3147 120.8458 55.4768 18.2296 179.8774 71 R 4.1130 8.0861 115.2152 58.9796 30.1615 178.3696 72 N 4.5048 7.7458 114.7222 54.8964 38.8104 176.7944 73 R 3.7708 7.4428 117.9249 56.0175 30.9211 176.3588 74 W 5.0456 7.3550 116.3950 54.0382 33.0503 173.7483 75 P 4.5477 0.0000 0.0000 62.0419 29.7876 175.2078 76 L 4.9579 8.1505 124.4144 53.4333 44.8484 177.6499 77 G 4.3861 7.8129 111.7236 45.2333 0.0000 175.7950 78 R 4.5618 8.7790 124.8262 55.7197 31.1448 175.2654 79 V 4.8372 8.4105 120.9428 61.6039 35.6096 173.9659 80 T 5.2226 9.0023 122.8804 61.8459 72.5495 173.0257 81 V 4.8605 9.0477 125.5986 61.2069 34.8974 174.0862 82 I 5.2016 8.8751 128.3359 59.7701 40.9960 174.0172 83 H 5.1644 9.0752 125.5669 54.5491 32.9601 173.0308 84 R 5.6799 9.0134 124.8835 55.1668 31.3844 175.0114 85 I 4.5760 8.1886 113.1710 59.9502 41.9625 174.7832 86 G 4.1091 8.6996 107.3208 44.2407 0.0000 170.9381 87 E 4.8067 8.4558 120.0878 55.6963 30.4904 177.0876 88 L 5.1766 9.0129 125.7677 52.9562 46.6985 175.2879 89 W 5.0302 9.5424 120.1117 53.8411 33.2259 173.5508 90 P 4.4612 0.0000 0.0000 64.8674 31.1360 176.5042 91 G 4.0710 8.8607 111.5481 45.4982 0.0000 173.8570 92 D 4.4557 8.1907 120.0810 53.9789 41.4211 175.3401 93 E 4.3978 8.4077 122.7368 56.2024 30.2630 176.1270 94 I 4.4149 8.8281 124.6245 61.7839 40.4300 175.6550 95 V 5.0275 7.7549 119.8265 59.8717 35.1343 174.2320 96 F 5.3113 9.0725 124.7529 56.4576 42.7506 173.4027 97 V 4.4584 8.4324 125.6185 60.8572 34.5559 174.1954 98 G 4.2408 8.8661 115.0611 44.4040 0.0000 171.9738 99 V 4.9981 8.8615 117.9039 59.6865 36.2232 174.7227 100 T 5.0577 7.9903 111.3826 60.5279 72.6540 172.4861 101 S 4.8395 8.3673 116.1232 57.7124 66.1130 175.2975 102 A 4.0751 8.7151 124.1124 54.3059 18.2278 177.7602 103 H 4.9781 7.6659 114.6817 53.5024 34.3700 174.3611 104 R 3.8603 8.1767 123.1963 59.2737 29.2890 179.1801 105 S 4.2764 8.2907 114.8220 61.4872 62.9834 176.6057 106 S 3.9678 8.1439 117.4538 60.7687 62.9224 176.1437 107 A 3.7310 7.5850 123.8842 54.7892 18.1147 179.6550 108 F 4.1043 8.1526 116.3810 60.7494 38.9925 177.7946 109 E 3.9936 8.1417 117.9313 59.3884 29.2066 179.3488 110 A 2.8282 7.0225 120.8075 54.4008 18.3500 179.8976 111 G 3.4049 7.6708 104.2075 47.9690 0.0000 175.8987 112 Q 3.9388 7.8667 120.7329 58.5225 28.7673 178.7019 113 F 2.9757 7.6041 121.4422 60.9635 39.1721 177.1306 114 I 3.4016 7.6389 119.3676 64.6267 36.8874 178.4134 115 M 3.9250 7.6967 119.1889 58.4122 31.3348 178.5992 116 D 4.4184 8.1221 119.1175 57.6243 41.0210 178.5069 117 Y 3.9495 7.9225 117.3695 60.6911 37.8403 177.8197 118 L 3.9658 8.1013 121.5936 58.2172 42.0193 179.0378 119 K 4.2370 8.0355 116.4221 58.1204 32.1140 178.1138 120 T 4.5398 7.2249 107.5849 61.4185 70.1994 174.7500 121 R 4.3756 8.0270 117.8700 55.8567 32.6147 175.5818 122 A 4.1728 7.6603 121.1741 50.9567 19.3618 176.6137 123 P 3.9067 0.0000 0.0000 61.7062 29.9437 174.4258 124 F 5.0062 7.0406 124.1211 56.0192 43.3024 174.1786 125 W 5.1970 9.4050 121.6723 55.0444 33.1968 174.4814 126 K 5.1064 9.1451 124.8072 55.8195 33.3406 175.9380 127 R 4.9007 9.0843 121.2972 54.2201 32.4505 173.8082 128 E 4.7562 9.0823 123.9148 54.6604 31.8041 174.8581 129 A 4.8425 8.4220 130.1368 50.9661 18.0867 177.0123 130 T 4.2680 8.3157 112.0111 59.9374 70.4703 175.1500 131 P 4.2578 0.0000 0.0000 65.2075 31.2869 177.3826 132 E 4.3045 8.5518 115.4800 55.5889 30.0234 174.8207 133 G 4.0476 7.3030 105.6846 42.7935 0.0000 172.7970 134 D 4.8055 8.1050 119.9477 54.2513 41.6496 176.5350 135 R 4.5338 8.6288 122.1646 54.2484 33.7671 174.0215 136 W 4.8480 8.7991 126.4262 56.3194 29.7947 176.3832 137 V 3.8776 8.6217 125.4983 63.0700 31.7530 175.4296 138 E 4.3545 8.7844 126.3672 55.4037 30.4284 176.6107 139 A 4.2567 8.5083 125.7565 52.2190 19.4578 176.7967 140 R 4.6768 8.1961 119.0734 54.2172 32.5389 177.4517 141 E 4.0265 8.7911 122.7401 59.2282 29.6800 179.1485 142 S 4.1913 8.1105 114.0903 61.5545 62.9625 176.1763 143 D 4.4208 8.0617 122.0655 57.1188 40.5848 178.6671 144 Q 4.0347 8.0330 118.2016 59.1548 28.5866 178.7248 145 Q 4.0166 8.0227 117.7040 58.6970 29.0159 178.1792 146 A 4.1455 8.1848 121.6693 55.2866 18.3338 179.6155 147 A 4.5432 8.2696 119.2215 55.3561 18.2683 179.9066 148 K 4.1872 8.0304 115.9385 58.8277 32.1793 179.1837 149 R 4.0039 7.4736 114.1614 57.8329 29.4785 176.5644 150 W 4.6272 7.8691 124.4887 57.0359 29.2450 175.9131 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 A 8.26 4.37 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 3 E 8.31 4.23 0.00 2.35 2.18 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 2.50 2.53 0.00 4 T 8.68 5.10 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 1.27 0.00 0.00 5 K 9.21 4.44 0.00 1.30 1.54 0.00 1.00 0.00 0.00 1.41 0.00 0.00 2.73 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.15 7.81 6 I 8.35 5.02 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 1.25 1.08 0.94 0.00 0.00 7 V 8.80 4.45 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 0.96 0.00 0.00 0.89 0.00 0.00 8 V 7.69 5.26 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 1.44 0.00 0.00 1.10 0.00 0.00 9 G 8.26 4.17 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 0.00 10 P 0.00 4.78 0.00 2.23 2.24 0.00 3.43 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 11 Q 8.00 4.12 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 12 P 0.00 4.31 0.00 2.06 1.92 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 13 F 7.53 4.96 0.00 2.92 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 14 S 8.28 4.55 0.00 3.80 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 15 V 8.73 3.43 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 1.16 0.00 0.00 1.00 0.00 0.00 16 G 8.02 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 0.00 0.00 0.00 17 E 7.96 4.25 0.00 2.11 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 2.33 2.34 0.00 18 E 7.89 4.24 0.00 1.63 1.90 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 2.36 1.75 0.00 19 Y 8.26 4.10 0.00 3.25 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 20 P 0.00 4.26 0.00 2.15 2.19 0.00 4.03 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 2.13 2.32 0.00 21 W 8.18 4.18 0.00 3.36 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 3.74 0.00 1.88 1.76 1.00 1.13 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 23 A 7.02 4.27 0.69 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 0.00 0.00 24 E 7.37 3.88 0.00 1.90 1.72 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 2.23 2.22 0.00 25 R 7.50 4.10 0.00 1.90 1.92 0.00 3.08 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 0.00 26 D 8.71 4.39 0.00 2.63 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 27 E 7.99 4.09 0.00 2.04 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 2.21 2.22 0.00 28 D 7.76 4.57 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.05 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 30 A 8.26 4.82 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 31 V 8.39 4.62 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.85 0.00 0.00 32 V 8.72 4.44 1.81 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 0.89 0.00 0.00 0.09 0.00 0.00 33 T 8.52 5.05 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 1.44 0.00 0.00 34 F 8.92 4.86 0.00 3.08 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 35 T 7.84 4.91 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 1.44 0.00 0.00 36 G 8.87 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 0.00 0.00 0.00 37 K 8.41 5.22 0.00 1.61 1.70 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.36 7.81 38 V 8.49 3.61 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 0.96 0.00 0.00 0.93 0.00 0.00 39 R 8.50 4.81 0.00 1.75 1.90 0.00 3.49 0.00 0.00 3.38 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 *47 V 7.79 3.87 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 1.05 0.00 0.00 1.00 0.00 0.00 48 N 8.50 4.94 0.00 2.61 2.65 0.00 0.00 7.14 7.35 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 49 A 7.51 3.29 -0.02 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 50 L 8.29 5.04 0.00 1.57 1.47 0.91 0.72 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 51 T 8.77 5.00 4.16 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 1.23 0.00 0.00 52 L 8.46 5.10 0.00 1.64 1.82 1.01 0.98 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 53 E 9.37 4.68 0.00 2.45 2.38 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 2.67 2.50 0.00 54 H 8.89 5.34 0.00 2.94 3.34 0.00 5.58 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.40 4.63 0.00 3.17 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 4.24 0.00 2.12 2.13 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 57 G 8.16 3.72 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 0.00 0.00 0.00 58 M 7.36 4.28 0.00 1.04 0.84 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 59 T 7.75 3.58 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 0.36 0.00 0.00 60 E 8.02 3.98 0.00 2.01 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 2.42 2.38 0.00 61 K 7.93 3.89 0.00 1.75 1.82 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 62 A 8.25 3.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.88 3.96 0.00 1.91 1.77 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.19 4.04 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 65 E 8.44 3.97 0.00 2.18 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 2.34 2.59 0.00 66 I 7.78 3.86 2.05 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 0.89 0.85 0.00 0.00 67 V 7.87 3.68 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.02 0.00 0.00 68 D 8.16 4.38 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.05 0.00 2.19 2.30 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 2.23 2.31 0.00 70 A 8.31 3.95 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.09 4.11 0.00 1.97 2.02 0.00 3.18 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 72 N 7.75 4.50 0.00 2.79 2.77 0.00 0.00 6.97 7.01 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 73 R 7.44 3.77 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.33 0.00 74 W 7.35 5.05 0.00 3.29 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 75 P 0.00 4.55 0.00 2.20 2.12 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 76 L 8.15 4.96 0.00 1.65 1.60 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.81 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 0.00 0.00 0.00 0.00 78 R 8.78 4.56 0.00 1.45 1.32 0.00 2.21 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.01 0.00 79 V 8.41 4.84 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 1.15 0.00 0.00 0.97 0.00 0.00 80 T 9.00 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 1.38 0.00 0.00 81 V 9.05 4.86 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 0.99 0.00 0.00 0.92 0.00 0.00 82 I 8.88 5.20 1.47 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 1.06 0.55 0.99 0.00 0.00 83 H 9.08 5.16 0.00 3.09 2.98 0.00 5.57 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.01 5.68 0.00 1.76 1.88 0.00 3.00 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.63 0.00 85 I 8.19 4.58 1.93 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 1.27 1.02 0.89 0.00 0.00 86 G 8.70 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.46 4.81 0.00 1.99 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 2.21 2.26 0.00 88 L 9.01 5.18 0.00 1.51 1.49 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 89 W 9.54 5.03 0.00 3.19 3.10 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 90 P 0.00 4.46 0.00 2.13 2.08 0.00 3.95 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 2.13 2.15 0.00 91 G 8.86 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 0.00 0.00 0.00 0.00 92 D 8.19 4.46 0.00 2.80 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 93 E 8.41 4.40 0.00 1.44 1.74 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 2.26 2.17 0.00 94 I 8.83 4.41 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.54 0.95 0.00 0.00 95 V 7.75 5.03 1.93 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 0.91 0.00 0.00 0.99 0.00 0.00 96 F 9.07 5.31 0.00 2.20 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 0.00 0.00 0.00 0.00 97 V 8.43 4.46 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 0.85 0.00 0.00 0.88 0.00 0.00 98 G 8.87 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 0.00 0.00 0.00 0.00 99 V 8.86 5.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.85 0.00 0.00 100 T 7.99 5.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 101 S 8.37 4.84 0.00 3.85 3.79 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 0.00 102 A 8.72 4.08 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 0.00 103 H 7.67 4.98 0.00 3.28 3.11 0.00 5.60 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.18 3.86 0.00 2.16 2.14 0.00 3.18 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 105 S 8.29 4.28 0.00 4.20 4.33 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 0.00 106 S 8.14 3.97 0.00 4.11 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 0.00 107 A 7.58 3.73 1.10 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 0.00 0.00 108 F 8.15 4.10 0.00 3.20 2.97 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 0.00 109 E 8.14 3.99 0.00 1.63 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 2.58 2.52 0.00 110 A 7.02 2.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 3.40 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 0.00 112 Q 7.87 3.94 0.00 2.49 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 113 F 7.60 2.98 0.00 1.51 2.51 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 0.00 114 I 7.64 3.40 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 1.56 0.68 0.84 0.00 0.00 115 M 7.70 3.92 0.00 1.75 1.80 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.43 0.00 116 D 8.12 4.42 0.00 2.93 2.97 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 0.00 117 Y 7.92 3.95 0.00 2.46 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 0.00 118 L 8.10 3.97 0.00 1.80 1.87 0.95 0.72 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 0.00 119 K 8.04 4.24 0.00 1.86 1.86 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.56 7.81 120 T 7.22 4.54 4.17 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 1.29 0.00 0.00 121 R 8.03 4.38 0.00 1.77 1.87 0.00 2.79 0.00 0.00 3.03 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.00 122 A 7.66 4.17 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 0.00 123 P 0.00 3.91 0.00 2.07 2.22 0.00 3.32 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 1.73 1.84 0.00 124 F 7.04 5.01 0.00 2.60 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 0.00 125 W 9.41 5.20 0.00 3.50 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 0.00 126 K 9.15 5.11 0.00 1.86 1.81 0.00 1.67 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.54 7.81 127 R 9.08 4.90 0.00 1.12 0.82 0.00 2.33 0.00 0.00 2.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.29 0.00 128 E 9.08 4.76 0.00 1.96 1.87 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 2.13 2.14 0.00 129 A 8.42 4.84 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 0.00 130 T 8.32 4.27 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 1.20 0.00 0.00 131 P 0.00 4.26 0.00 2.06 2.17 0.00 3.65 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 2.03 2.12 0.00 132 E 8.55 4.30 0.00 1.87 1.96 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 2.27 2.27 0.00 133 G 7.30 4.05 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 0.00 0.00 0.00 134 D 8.10 4.81 0.00 2.38 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 0.00 135 R 8.63 4.53 0.00 1.73 1.65 0.00 3.30 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 136 W 8.80 4.85 0.00 3.24 3.14 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 0.00 137 V 8.62 3.88 2.23 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 0.81 0.00 0.00 0.99 0.00 0.00 138 E 8.78 4.35 0.00 2.05 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 2.37 2.36 0.00 139 A 8.51 4.26 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.20 4.68 0.00 2.05 1.85 0.00 3.17 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 141 E 8.79 4.03 0.00 2.09 1.96 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 2.39 2.44 0.00 142 S 8.11 4.19 0.00 4.10 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.06 4.42 0.00 2.89 2.78 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 0.00 144 Q 8.03 4.03 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 145 Q 8.02 4.02 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 146 A 8.18 4.15 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.27 4.54 1.50 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 0.00 0.00 148 K 8.03 4.19 0.00 1.94 1.93 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.64 7.81 149 R 7.47 4.00 0.00 1.76 1.90 0.00 2.71 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.64 0.00 150 W 7.87 4.63 0.00 3.57 3.36 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 * Residues marked with a * may have inaccurate shift predictions.