NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4144 8.2893 120.3491 55.3595 34.2332 176.0088 1 S 4.0747 7.9265 113.7099 57.3864 63.7318 172.5457 2 K 4.5106 8.3491 124.1858 56.8212 34.1826 177.0309 3 T 5.4059 8.3294 111.1799 60.5337 72.3514 172.5943 4 I 4.6418 8.8739 122.6415 59.0505 41.2450 174.1917 5 V 4.8799 8.4445 128.1714 59.8394 33.6876 174.6328 6 L 4.7169 9.1301 125.0148 52.9241 44.4896 175.3873 7 S 4.7682 8.6687 119.9955 56.9894 64.3525 174.8784 8 V 4.2576 7.9600 124.2586 60.8416 32.5015 177.6082 9 G 3.8966 8.3254 118.4469 46.3447 0.0000 172.7326 10 E 4.0955 9.3444 125.1808 56.3901 30.4494 174.5625 11 A 4.6566 7.4847 121.6868 51.5994 21.1811 175.0948 12 T 5.0211 7.9011 112.3266 60.8251 71.0508 173.2559 13 R 4.6066 9.0140 125.0791 54.8612 33.5730 174.2021 14 T 4.8378 8.5967 120.8949 61.7534 71.1120 173.2113 15 L 5.1224 9.0536 127.2043 53.3056 44.3639 175.5658 16 T 5.0759 8.9784 120.4935 61.2941 71.5470 173.1892 17 E 3.7433 9.0771 128.1057 56.7004 29.2927 176.1375 18 I 4.3488 8.2953 121.7344 62.1620 39.5950 175.3010 19 Q 4.6418 7.3887 118.9372 55.5738 31.9784 173.4897 20 S 5.1268 8.3426 110.5853 58.8223 65.4274 175.5191 21 T 4.2951 8.4122 114.9183 60.1620 70.0605 175.3856 22 A 4.0958 8.5740 125.5821 55.7560 18.5876 178.9863 23 D 4.4707 8.1067 115.4177 57.1338 41.7857 177.3331 24 R 4.8390 7.7898 124.1014 55.0896 30.8190 175.1715 25 Q 4.3931 8.9391 124.0195 55.1419 30.7565 175.2988 26 I 5.0575 8.3907 122.7118 59.5793 41.1375 174.4049 27 F 5.2437 9.5540 125.2773 55.7898 42.3897 174.1856 28 E 5.1680 9.3644 121.6530 54.4300 34.3221 174.7440 29 E 4.6408 8.8228 123.8821 54.6285 29.5806 177.8572 30 K 4.4368 8.2826 130.4253 55.4238 30.4681 177.0298 31 V 4.4342 7.0423 111.9609 60.6189 36.4652 177.6482 32 G 3.8047 8.6141 109.9173 44.1349 0.0000 171.4122 33 P 4.4021 0.0000 0.0000 62.6585 31.8958 176.6488 34 L 4.1293 8.3702 120.5995 57.5324 41.9123 178.5041 35 V 3.8360 7.6414 111.4262 61.8924 32.1830 175.7936 36 G 3.8611 8.6336 110.9193 46.7435 0.0000 173.8368 37 R 4.1648 7.9210 117.6457 54.6093 31.2198 176.1402 38 L 4.1646 8.5453 123.5019 56.0573 43.0628 175.4916 39 R 5.1109 8.7529 126.4970 54.4048 33.4402 174.2328 40 L 5.1699 9.3391 127.0338 53.8449 45.3876 174.8891 41 T 5.1894 8.8701 123.5572 62.0029 70.7190 173.8361 42 A 5.4133 9.1033 127.6576 50.4474 22.8572 174.8479 43 S 5.2492 8.9718 113.8146 57.5834 67.1770 172.9131 44 L 5.2981 8.3072 121.8683 53.8715 44.8793 175.3403 45 R 4.8109 8.8528 123.7275 54.6567 34.6375 174.1958 46 Q 4.7096 8.5399 121.2364 54.3861 30.5153 175.3274 47 N 4.5130 8.6647 120.7857 52.4289 38.6783 176.5400 48 G 3.4864 8.6557 107.7449 48.5836 0.0000 175.2523 49 A 3.9697 7.8259 121.4800 52.7571 18.5860 176.9525 50 K 3.8354 7.6139 115.9973 58.2027 30.8189 176.0659 51 T 4.6607 7.9090 104.6956 61.0595 70.4861 172.9765 52 A 5.1050 8.5835 123.3017 51.4449 23.2860 175.1112 53 Y 5.0776 9.4866 117.6386 56.4401 41.6870 175.4000 54 R 4.8523 9.1101 119.8559 54.6654 33.8971 174.7323 55 V 4.5701 8.6298 125.5237 61.9475 33.1097 174.2859 56 N 5.5513 9.0079 125.7554 51.5711 41.0898 173.7827 57 L 5.2450 8.5672 123.1798 53.1044 45.9096 176.2621 58 K 4.7515 8.6812 122.8841 55.8610 35.3271 174.1687 59 L 5.0457 8.9282 131.5909 54.0534 43.8381 174.6980 60 D 5.4175 9.1567 127.0673 52.6529 43.4769 175.1819 61 Q 4.5411 9.1073 125.1158 54.0296 30.9238 174.5573 62 A 4.5301 8.6153 128.1742 51.8442 19.8863 176.2216 63 D 4.5087 8.8694 120.5985 52.6013 42.7107 175.0719 64 V 4.5582 8.1469 126.5426 61.5804 32.9024 175.1165 65 V 4.2165 8.5994 121.9216 59.8192 33.7017 175.0172 66 D 5.0082 8.7752 126.1131 52.4363 40.8711 176.0462 67 S 4.5548 7.8668 124.7304 55.7714 62.1433 173.4308 68 G 3.8951 6.9704 113.1697 46.4180 0.0000 172.4729 *75 L 4.5231 7.8844 119.7557 52.7420 43.5032 175.1878 76 P 4.5892 0.0000 0.0000 62.9987 32.1081 175.5199 77 K 4.5075 8.9462 123.9724 54.4398 35.6868 175.1144 78 V 3.9915 8.5026 127.5701 63.0532 31.2584 175.8239 79 R 4.2448 8.8695 128.8060 59.0120 30.2859 176.5734 80 Y 4.9632 6.9929 114.3456 56.2993 41.8046 172.9096 81 T 5.2066 8.6097 115.3608 61.9473 72.0533 173.6147 82 Q 4.8644 9.2045 124.3453 54.1693 31.9426 174.8318 83 V 4.9473 8.3665 121.3964 60.9838 35.2776 174.8190 84 W 4.9593 9.2774 135.0000 55.8793 32.9211 173.9374 85 S 5.4555 8.7853 121.4454 57.1752 65.3208 173.1592 86 H 5.0781 9.6467 117.8131 54.1507 32.6089 172.3260 87 D 4.9298 8.8339 120.9871 52.7421 43.9370 174.5863 88 V 4.3662 9.0024 127.5078 61.4973 33.8219 174.4456 89 T 4.8358 8.6008 125.5023 62.6085 69.6420 174.3773 90 I 4.5608 8.4540 127.7024 59.3495 40.1878 175.2298 91 V 4.2291 8.4547 126.9898 62.2681 32.4435 176.8343 92 A 4.1967 9.0768 131.6641 55.4660 18.4020 178.3552 93 N 4.7657 8.1058 110.2074 53.0785 37.4039 175.3024 94 S 4.4480 7.4914 113.7790 58.2602 63.7642 174.5791 95 T 4.2375 7.6567 110.5124 61.4203 70.8633 175.5925 96 E 3.9789 8.6740 122.5747 59.2413 29.7815 178.8944 97 A 4.0358 8.0472 120.8793 55.1994 18.4268 179.6056 98 S 4.1389 7.7431 112.0278 61.6639 63.1609 177.0061 99 R 3.9828 7.7502 120.5694 58.7131 29.7863 178.8733 100 K 4.0200 8.1612 119.6650 59.4567 32.1720 178.9233 101 S 4.1006 8.2366 113.5289 61.2581 62.3144 175.6898 102 L 3.9635 7.9563 123.1433 58.3091 41.6455 178.4403 103 Y 3.9659 7.9383 118.8355 60.9439 38.8708 177.6915 104 D 4.1707 8.2045 119.8011 57.2773 40.8644 178.9151 105 L 3.9849 7.9085 119.5461 58.0307 41.5951 179.6198 106 T 3.8408 7.6460 115.3982 66.3224 68.4326 176.5618 107 K 3.6604 7.8688 121.8329 59.3933 31.9168 178.8324 108 S 3.9922 7.7606 112.1018 61.1680 62.5295 175.3129 109 L 4.0837 8.2784 123.3768 58.5176 41.6043 179.3138 110 V 3.7132 7.7865 116.2643 65.7992 31.5125 177.5659 111 A 4.0939 7.7057 119.7095 53.8116 18.6031 178.0884 112 T 4.0674 7.1829 108.2772 61.4359 69.6056 175.8860 113 S 4.2063 8.5801 118.3316 61.3578 63.0815 176.7057 114 Q 3.9616 8.0341 121.6876 59.0518 28.5590 178.7211 115 V 3.6321 7.7177 118.7574 65.7113 31.4279 177.7112 116 E 4.0263 8.0746 119.4133 59.4580 29.4711 178.6042 117 D 4.3480 8.4387 119.2427 57.0213 40.8164 178.5169 118 L 4.3240 8.0523 122.3557 57.6519 41.9258 179.3215 119 V 3.3948 7.5710 116.6155 65.9830 31.6179 177.9224 120 V 3.7825 7.9472 116.8460 65.3677 31.6232 176.2953 121 N 4.7776 7.9715 112.1545 52.0468 39.6981 174.5841 122 L 3.6968 7.6796 117.0403 55.5404 39.7670 174.5621 123 V 3.8275 7.5982 118.6006 61.5813 32.0235 173.7606 124 P 4.4638 0.0000 0.0000 62.2566 31.8529 176.2134 125 L 4.1128 8.0683 120.8840 54.8681 42.3240 177.5107 126 G 3.9605 9.7290 108.7572 46.4586 0.0000 174.2957 127 R 4.1968 8.2949 122.4528 56.3673 30.9043 175.3652 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 0 M 8.29 4.41 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 1 S 7.93 4.07 0.00 4.08 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 2 K 8.35 4.51 0.00 1.86 1.91 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.41 7.81 3 T 8.33 5.41 4.38 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 1.27 0.00 0.00 4 I 8.87 4.64 1.51 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.37 0.47 0.00 0.00 5 V 8.44 4.88 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 0.79 0.00 0.00 0.95 0.00 0.00 6 L 9.13 4.72 0.00 1.50 1.53 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.67 4.77 0.00 3.72 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 8 V 7.96 4.26 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 0.98 0.00 0.00 0.91 0.00 0.00 9 G 8.33 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 10 E 9.34 4.10 0.00 1.92 1.97 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 2.25 2.36 0.00 11 A 7.48 4.66 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 12 T 7.90 5.02 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 13 R 9.01 4.61 0.00 1.70 1.77 0.00 3.30 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 14 T 8.60 4.84 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 1.23 0.00 0.00 15 L 9.05 5.12 0.00 1.75 1.68 0.93 0.42 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 16 T 8.98 5.08 4.27 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 1.27 0.00 0.00 17 E 9.08 3.74 0.00 1.42 1.67 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 2.06 1.84 0.00 18 I 8.30 4.35 1.83 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 1.36 0.73 0.95 0.00 0.00 19 Q 7.39 4.64 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 20 S 8.34 5.13 0.00 3.79 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 0.00 21 T 8.41 4.30 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 1.21 0.00 0.00 22 A 8.57 4.10 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 23 D 8.11 4.47 0.00 2.72 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 24 R 7.79 4.84 0.00 1.84 1.92 0.00 3.12 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 25 Q 8.94 4.39 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 26 I 8.39 5.06 1.82 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 1.26 0.79 0.93 0.00 0.00 27 F 9.55 5.24 0.00 3.07 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 28 E 9.36 5.17 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 29 E 8.82 4.64 0.00 2.00 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 2.33 2.33 0.00 30 K 8.28 4.44 0.00 1.80 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.47 7.81 31 V 7.04 4.43 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 0.72 0.00 0.00 0.96 0.00 0.00 32 G 8.61 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.40 0.00 2.20 2.00 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 34 L 8.37 4.13 0.00 1.63 1.73 0.92 0.93 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 35 V 7.64 3.84 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 0.68 0.00 0.00 0.92 0.00 0.00 36 G 8.63 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.92 4.16 0.00 1.83 1.88 0.00 3.24 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 38 L 8.55 4.16 0.00 1.79 1.60 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.75 5.11 0.00 2.11 1.76 0.00 3.12 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 40 L 9.34 5.17 0.00 1.65 1.55 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.87 5.19 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 1.26 0.00 0.00 42 A 9.10 5.41 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 43 S 8.97 5.25 0.00 3.90 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 44 L 8.31 5.30 0.00 1.65 1.59 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.85 4.81 0.00 1.73 1.74 0.00 3.34 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 46 Q 8.54 4.71 0.00 1.76 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.04 0.00 0.00 0.00 0.00 0.00 1.66 2.24 0.00 47 N 8.66 4.51 0.00 2.74 2.93 0.00 0.00 6.86 6.71 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 48 G 8.66 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.97 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 50 K 7.61 3.84 0.00 1.82 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.23 7.81 51 T 7.91 4.66 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 52 A 8.58 5.11 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 53 Y 9.49 5.08 0.00 2.79 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 54 R 9.11 4.85 0.00 1.69 1.85 0.00 3.48 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 55 V 8.63 4.57 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 1.06 0.00 0.00 0.96 0.00 0.00 56 N 9.01 5.55 0.00 2.72 2.74 0.00 0.00 6.36 6.57 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 57 L 8.57 5.24 0.00 1.65 1.53 0.81 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.68 4.75 0.00 1.91 1.70 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.46 7.81 59 L 8.93 5.05 0.00 1.87 1.62 0.99 1.07 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 60 D 9.16 5.42 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 9.11 4.54 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 62 A 8.62 4.53 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 D 8.87 4.51 0.00 1.97 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 4.56 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 0.82 0.00 0.00 0.89 0.00 0.00 65 V 8.60 4.22 2.06 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 0.57 0.00 0.00 0.96 0.00 0.00 66 D 8.78 5.01 0.00 2.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.87 4.55 0.00 4.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.97 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 *75 L 7.88 4.52 0.00 1.67 1.65 0.92 1.14 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 76 P 0.00 4.59 0.00 2.06 2.14 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 77 K 8.95 4.51 0.00 1.78 1.61 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.35 7.81 78 V 8.50 3.99 2.06 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 0.82 0.00 0.00 0.90 0.00 0.00 79 R 8.87 4.24 0.00 1.38 1.99 0.00 3.28 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 80 Y 6.99 4.96 0.00 3.01 3.03 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 81 T 8.61 5.21 4.31 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 0.00 0.00 1.30 0.00 0.00 82 Q 9.20 4.86 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 83 V 8.37 4.95 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 0.98 0.00 0.00 0.98 0.00 0.00 84 W 9.28 4.96 0.00 3.50 2.86 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 85 S 8.79 5.46 0.00 4.08 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 86 H 9.65 5.08 0.00 3.06 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.83 4.93 0.00 2.65 2.56 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 88 V 9.00 4.37 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 0.98 0.00 0.00 1.05 0.00 0.00 89 T 8.60 4.84 4.28 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 1.25 0.00 0.00 90 I 8.45 4.56 1.95 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 1.13 0.78 0.91 0.00 0.00 91 V 8.45 4.23 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 1.13 0.00 0.00 0.97 0.00 0.00 92 A 9.08 4.20 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 93 N 8.11 4.77 0.00 2.86 2.94 0.00 0.00 6.04 7.64 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 94 S 7.49 4.45 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.66 4.24 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 1.22 0.00 0.00 96 E 8.67 3.98 0.00 2.04 1.97 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 2.35 2.34 0.00 97 A 8.05 4.04 1.33 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 98 S 7.74 4.14 0.00 4.21 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 99 R 7.75 3.98 0.00 1.92 2.02 0.00 3.09 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 100 K 8.16 4.02 0.00 1.95 2.07 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.53 7.81 101 S 8.24 4.10 0.00 4.06 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.96 3.96 0.00 1.97 1.88 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.94 3.97 0.00 3.13 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 0.00 104 D 8.20 4.17 0.00 2.77 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 0.00 105 L 7.91 3.98 0.00 1.69 1.69 0.95 0.73 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 0.00 106 T 7.65 3.84 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 K 7.87 3.66 0.00 1.19 1.63 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.29 7.81 108 S 7.76 3.99 0.00 3.94 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.28 4.08 0.00 1.86 1.87 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.79 3.71 2.06 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 0.69 0.00 0.00 1.07 0.00 0.00 111 A 7.71 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.18 4.07 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 1.32 0.00 0.00 113 S 8.58 4.21 0.00 4.08 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 0.00 114 Q 8.03 3.96 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 115 V 7.72 3.63 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 1.21 0.00 0.00 1.02 0.00 0.00 116 E 8.07 4.03 0.00 2.07 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 0.00 2.35 2.41 0.00 117 D 8.44 4.35 0.00 2.93 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 0.00 118 L 8.05 4.32 0.00 1.88 1.80 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.57 3.39 2.20 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 0.84 0.00 0.00 0.61 0.00 0.00 120 V 7.95 3.78 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 0.91 0.00 0.00 1.05 0.00 0.00 121 N 7.97 4.78 0.00 2.87 2.80 0.00 0.00 7.12 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 0.00 122 L 7.68 3.70 0.00 1.79 1.73 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.60 3.83 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 0.99 0.00 0.00 0.92 0.00 0.00 124 P 0.00 4.46 0.00 2.07 1.95 0.00 3.72 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 2.01 2.09 0.00 125 L 8.07 4.11 0.00 1.63 1.72 0.91 1.03 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 0.00 126 G 9.73 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 0.00 127 R 8.29 4.20 0.00 1.76 1.78 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.