NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0983 8.0549 114.0574 61.0281 33.2697 175.1651 4 L 4.2719 7.9167 119.3633 52.0618 42.7165 174.9127 5 Q 4.6962 9.0593 120.6246 54.1664 32.7597 174.0932 6 V 4.3705 8.0912 112.0163 60.1075 32.5763 176.4377 7 L 4.3595 8.9332 125.7949 55.1333 42.9421 176.1499 8 T 4.9800 8.3379 112.1097 59.3845 71.8208 172.9595 9 F 4.6674 9.1628 127.9838 57.9796 40.0649 172.9530 10 P 4.2381 0.0000 0.0000 62.3651 32.1166 175.3943 11 D 4.3413 8.0622 119.5687 55.3897 41.7271 176.5311 12 D 4.4741 8.7193 125.2324 56.9211 41.1552 178.2070 13 R 4.0350 8.9250 118.8574 58.8428 29.8838 178.2525 14 L 4.2755 8.1599 118.2935 56.3879 41.4789 178.1717 15 R 4.8028 7.5066 117.9695 54.5918 30.7574 176.4063 16 T 3.9875 7.0941 117.4000 63.5108 69.0132 174.2230 17 V 4.1156 8.3536 126.6688 62.2897 32.1901 175.5321 18 A 4.4623 8.8747 130.7127 51.9758 19.2727 176.9663 19 K 4.4703 8.9139 120.4464 54.5536 34.2123 174.9046 20 P 4.8049 0.0000 0.0000 62.8060 32.0681 176.4196 21 V 3.8773 9.3591 123.7165 62.7922 32.2637 175.9496 22 E 4.3568 8.7870 125.9677 58.2919 30.2358 176.8282 23 Q 4.4736 7.5217 114.6656 54.2448 32.7257 175.1638 24 V 3.8813 8.3025 122.1875 62.3244 30.5155 175.8940 25 T 4.5260 7.8338 117.8906 59.2717 72.2853 173.3430 26 P 4.7870 0.0000 0.0000 65.0410 31.1622 178.8890 27 E 3.9598 8.1144 117.1426 59.3407 29.3998 179.0956 28 I 3.7030 7.5869 119.2825 64.6516 37.1003 178.3151 29 Q 3.9873 8.5036 119.1765 59.2177 28.4695 179.1081 30 Q 3.9713 8.4443 120.6743 59.0733 28.8656 178.1437 31 I 3.6628 7.6076 119.9319 64.3838 37.2487 177.9770 32 V 3.7487 7.6979 117.6770 66.3592 31.6011 177.4668 33 D 4.5939 8.2323 118.2728 57.3650 40.6754 179.5623 34 D 4.2581 8.0930 117.0291 54.7637 40.4460 178.4138 *36 L 4.0909 7.8380 120.9332 54.9212 43.8720 178.2591 37 E 4.2603 8.2370 117.9288 60.0009 29.6910 179.8027 38 T 3.8486 8.0137 111.3886 64.8672 68.1334 175.5244 *40 Y 4.7606 7.9769 121.5792 58.1684 39.7733 177.4668 41 A 4.0836 8.1838 121.5040 54.8721 18.5330 177.8925 42 E 4.3534 8.3357 113.0853 55.6465 29.8577 175.9762 43 E 3.7937 7.8661 117.7637 57.2794 27.6155 174.7386 44 G 4.0198 7.8623 105.5011 44.6271 0.0000 173.6668 45 I 4.3942 7.3762 110.8614 59.8585 39.1861 175.1376 46 G 4.4322 7.7284 108.1238 45.5529 0.0000 172.4143 47 L 4.7921 9.0451 122.8036 53.4454 46.2099 174.1470 48 A 5.1119 8.4766 126.5266 49.9499 21.5696 177.3096 49 A 3.9232 8.9411 124.5981 55.6724 19.1074 180.1845 50 T 3.9298 8.1964 112.0144 67.1367 68.8061 176.3244 51 Q 4.1502 8.1975 119.7174 58.1751 28.8098 177.9415 52 V 4.5864 7.5522 109.7840 60.1135 31.8524 174.9568 53 D 4.3433 7.9718 116.8285 55.5853 39.7187 173.5513 54 I 4.2519 7.6649 117.9092 59.7096 39.4317 176.6006 55 H 4.9251 8.3977 127.7942 54.9842 26.9557 174.4863 56 Q 4.9644 7.4951 115.6046 54.2847 33.7154 178.1277 57 R 4.3783 8.6865 121.7192 55.2451 29.1367 173.9439 58 I 5.0414 7.8117 121.7389 59.1684 41.1205 174.3215 59 V 4.8869 9.0474 126.3382 61.1595 35.0810 174.5260 60 V 4.8728 8.7927 119.4340 59.7412 35.4391 174.7318 61 I 4.9821 8.0350 122.7933 59.8690 41.5400 173.9078 62 D 4.7855 8.9864 125.8474 53.0580 43.7823 175.3102 63 I 4.3084 8.4947 119.1512 60.5659 38.4196 176.0993 64 S 4.4313 8.5572 117.3279 57.9576 63.6474 174.4591 65 E 4.1147 8.6706 120.8676 59.2575 29.6493 177.8158 66 T 4.0802 7.9152 108.0033 61.5841 69.3698 174.9840 67 R 4.3601 7.7696 119.9577 57.5663 27.9833 175.8148 68 D 4.8872 7.7268 114.7774 53.4472 40.5119 175.7480 69 Q 4.6370 8.5676 114.2782 55.0148 29.0318 172.9016 70 P 4.8488 0.0000 0.0000 61.9502 32.7175 175.7283 *72 V 3.9997 7.9933 116.7794 63.1918 32.4479 175.3344 73 L 4.7974 9.1439 127.3274 53.2912 44.7411 175.0921 74 I 4.7134 9.0046 125.8995 59.9652 39.5697 176.2251 75 N 4.3566 9.0547 124.5320 53.4407 36.7358 173.1358 76 P 4.6002 0.0000 0.0000 62.9216 32.5089 175.1487 77 E 4.6184 9.0078 120.9632 54.6205 33.3343 174.2021 78 I 4.4271 8.4337 127.9591 60.8967 37.0631 175.5283 79 I 4.1347 8.7419 122.3133 62.2293 38.9417 175.9218 80 E 4.7233 7.8822 122.4331 54.4272 33.1792 173.8501 81 K 5.1610 8.6526 124.6175 54.7584 35.1195 175.7120 82 R 4.4878 8.6652 122.0724 55.5560 34.5549 176.8002 83 G 3.9785 8.9116 111.6078 44.7654 0.0000 171.5058 84 E 4.9809 8.1253 116.2099 54.9966 33.4396 174.7433 85 D 4.4915 8.2021 121.3423 53.6804 45.5684 173.8896 86 G 4.4763 8.1558 106.3258 45.9746 0.0000 172.3052 87 I 4.8441 7.3586 114.5161 58.5733 42.0422 173.3322 88 E 4.5359 8.6801 123.2597 56.2678 30.0683 175.5730 89 E 4.5697 9.1793 126.0399 54.5697 33.4964 175.2970 90 G 4.1422 7.7373 108.0339 45.4082 0.0000 171.0547 91 C 4.7881 8.1481 116.0942 58.2695 34.3378 175.1563 92 L 4.0435 8.7045 126.8602 57.6549 41.5460 178.0697 93 S 4.7417 8.0924 112.3281 58.4501 63.9065 173.6789 94 V 4.5161 7.9470 120.3378 60.0368 31.0675 172.2832 95 P 4.4873 0.0000 0.0000 63.9829 32.0361 177.3509 96 G 3.9624 9.2535 111.5089 44.7453 0.0000 172.6164 97 A 4.9009 7.5382 120.9083 50.4969 20.6360 176.8162 98 R 4.9913 8.4593 119.4878 54.7588 34.3368 174.4371 99 A 4.6323 8.5501 121.9019 50.6168 23.3039 175.4147 100 L 4.8563 8.5826 122.9280 54.7469 42.7499 176.3491 101 V 4.5021 8.1871 125.5331 60.1342 34.5510 172.5411 102 P 4.7059 0.0000 0.0000 63.0937 32.2936 175.5583 103 R 4.7199 9.0033 121.1152 54.3420 35.3665 174.0475 104 A 4.6261 9.0651 122.2000 52.2355 18.3138 178.0535 105 A 4.1886 8.4322 122.6342 54.3574 19.7168 177.6919 106 E 5.0130 8.8095 113.5896 54.8452 34.2226 175.7458 107 V 4.9084 8.6495 114.1209 60.1198 36.7995 174.3169 108 T 4.8957 8.9205 120.4043 61.7903 70.9429 173.5996 109 V 4.5732 8.2860 126.1327 60.6695 34.7969 173.9162 110 K 4.8884 8.4219 128.2003 54.8306 34.9661 174.4930 111 A 4.7699 8.3351 126.3658 51.3930 23.4810 174.8069 112 L 5.1758 8.8589 119.8769 53.7724 44.1028 177.6088 113 D 4.9684 9.0392 122.5803 52.2791 41.5331 176.8428 114 R 3.9766 8.5619 118.0353 59.0546 30.0296 177.0650 115 N 4.7173 8.7425 113.8326 52.8086 38.7469 175.5748 116 G 3.8842 8.1862 106.0427 45.6549 0.0000 173.3264 117 Q 4.3097 8.0470 121.8940 55.0632 30.1813 174.6139 118 E 4.9296 8.9037 128.4088 56.5366 30.7050 175.0005 119 Y 5.1324 9.6500 123.9689 55.8080 42.2302 173.3324 120 Q 5.1412 8.7785 120.1090 54.5793 32.5314 173.8486 121 F 5.0716 8.5802 118.7072 55.9039 41.7344 172.6033 122 D 5.3932 8.7882 119.3382 53.0830 42.9695 175.7421 123 A 4.9770 8.8660 122.5145 50.8083 23.5655 175.0847 124 D 5.0302 7.9803 118.0167 51.3963 43.3197 175.6418 125 D 4.1072 8.8809 118.0970 55.7528 39.6276 176.4358 126 L 3.9434 8.4834 123.8547 58.9646 42.0184 178.3752 127 L 3.9267 7.9382 119.6944 58.2158 42.1229 178.5823 128 A 4.1023 7.9068 120.1695 55.2245 18.1791 179.8081 129 I 3.6205 7.5447 118.2660 64.7287 37.1991 178.2155 130 C 4.0522 8.3669 119.9288 62.2737 31.2799 175.6080 131 V 3.6256 8.2750 120.2746 66.2993 31.1259 178.0191 132 Q 4.0009 8.1112 117.6222 59.1129 28.3865 178.3544 133 H 4.0575 8.4226 119.2644 59.4725 29.7491 177.2684 134 E 4.1549 8.3732 119.2693 59.4773 29.4879 179.1512 135 L 4.1841 8.4658 119.3017 57.4272 41.5426 179.0667 136 D 4.4197 8.3037 119.4075 57.8798 40.7932 178.4987 137 H 4.4167 7.9245 117.7151 58.3546 28.6358 177.7258 138 L 4.2432 8.1435 121.4565 56.0856 41.1773 178.1262 139 A 4.4460 7.7466 119.9853 51.5846 19.0727 177.4755 140 G 4.0599 8.3281 105.1435 46.0949 0.0000 173.4572 141 K 4.7777 8.1110 118.9989 54.2361 34.3084 175.5484 142 L 4.7727 8.5695 122.0035 52.2398 44.9619 177.9655 143 F 4.4755 8.6579 116.4263 60.0543 37.7854 178.0019 144 V 3.1789 6.7182 112.2536 63.6235 30.9773 177.6710 145 D 4.2905 7.6870 118.0889 56.7115 40.6220 177.2250 146 Y 4.3462 7.8459 115.1968 57.5374 38.4364 175.4463 147 L 4.5165 7.0423 120.6025 53.0784 43.3014 177.1290 148 S 4.2933 8.3003 114.9293 58.1101 64.6909 173.4935 149 P 4.2243 0.0000 0.0000 65.9642 31.2877 179.0892 150 L 4.0501 7.8208 117.2634 57.4690 41.6576 179.3781 151 K 3.9427 8.1826 119.6624 59.5077 32.1370 178.8593 152 R 3.8818 8.2403 119.3177 59.6272 29.8737 178.2551 153 N 4.3749 8.6884 116.7354 56.0740 38.4259 177.4222 154 R 3.8719 7.9362 119.8187 59.5002 30.2457 178.4922 155 I 3.7262 7.6808 119.4456 64.3113 37.0967 178.2639 156 K 3.8221 8.4845 120.4828 59.6031 32.0874 178.5634 157 E 4.0512 8.4075 119.0467 59.4007 29.2588 179.5028 158 K 3.9377 8.2460 118.4991 59.6156 31.9307 179.4547 159 L 4.0326 7.8474 117.8699 57.7766 41.8443 179.0080 160 E 4.0209 8.5527 119.0284 59.2712 29.4305 179.5146 161 K 3.8476 7.9575 118.4620 59.5807 31.8947 179.3309 162 I 3.8235 7.3686 119.0561 63.3942 37.2285 177.0715 163 K 4.5564 7.6011 116.9236 55.8429 32.5191 178.1533 164 R 3.7232 7.5069 117.0777 58.5058 29.2186 177.4647 165 F 4.7729 7.6990 114.6968 57.1141 39.4588 175.5366 166 N 4.4677 7.9439 119.0970 53.7869 38.9997 174.8981 167 E 4.1251 8.6774 116.7298 57.0522 30.7720 174.3363 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 V 8.05 4.10 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 0.90 0.00 0.00 0.94 0.00 0.00 4 L 7.92 4.27 0.00 1.71 1.59 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.06 4.70 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 6 V 8.09 4.37 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 0.74 0.00 0.00 0.98 0.00 0.00 7 L 8.93 4.36 0.00 1.60 1.63 1.06 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.34 4.98 4.32 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 1.29 0.00 0.00 9 F 9.16 4.67 0.00 2.91 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 10 P 0.00 4.24 0.00 1.83 1.07 0.00 3.60 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 1.69 1.74 0.00 11 D 8.06 4.34 0.00 2.85 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 12 D 8.72 4.47 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.92 4.03 0.00 2.05 2.03 0.00 3.45 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 14 L 8.16 4.28 0.00 1.95 1.81 1.08 0.79 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 15 R 7.51 4.80 0.00 1.91 1.97 0.00 3.41 0.00 0.00 3.15 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 16 T 7.09 3.99 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 1.03 0.00 0.00 17 V 8.35 4.12 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 0.76 0.00 0.00 0.93 0.00 0.00 18 A 8.87 4.46 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 19 K 8.91 4.47 0.00 1.71 1.74 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.43 7.81 20 P 0.00 4.80 0.00 1.94 2.00 0.00 3.68 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 2.03 2.10 0.00 21 V 9.36 3.88 2.19 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 0.77 0.00 0.00 1.00 0.00 0.00 22 E 8.79 4.36 0.00 2.00 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 2.28 2.33 0.00 23 Q 7.52 4.47 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.21 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 24 V 8.30 3.88 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 0.88 0.00 0.00 0.96 0.00 0.00 25 T 7.83 4.53 4.40 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 1.27 0.00 0.00 26 P 0.00 4.79 0.00 2.18 2.15 0.00 3.88 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 2.12 2.04 0.00 27 E 8.11 3.96 0.00 2.06 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 2.40 2.46 0.00 28 I 7.59 3.70 2.06 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 1.53 1.03 0.93 0.00 0.00 29 Q 8.50 3.99 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 30 Q 8.44 3.97 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 31 I 7.61 3.66 2.02 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 1.41 0.76 0.91 0.00 0.00 32 V 7.70 3.75 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 0.84 0.00 0.00 0.99 0.00 0.00 33 D 8.23 4.59 0.00 2.88 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 34 D 8.09 4.26 0.00 2.84 2.68 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 *36 L 7.84 4.09 0.00 1.86 1.84 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.24 4.26 0.00 2.23 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 2.40 2.53 0.00 38 T 8.01 3.85 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 *40 Y 7.98 4.76 0.00 3.08 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 41 A 8.18 4.08 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 42 E 8.34 4.35 0.00 1.98 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 2.46 2.42 0.00 43 E 7.87 3.79 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 2.30 2.27 0.00 44 G 7.86 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 45 I 7.38 4.39 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.89 0.00 0.00 46 G 7.73 4.43 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 0.00 47 L 9.05 4.79 0.00 1.66 1.40 0.89 1.16 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 48 A 8.48 5.11 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 49 A 8.94 3.92 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 50 T 8.20 3.93 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 1.36 0.00 0.00 51 Q 8.20 4.15 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.87 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 52 V 7.55 4.59 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 0.89 0.00 0.00 0.97 0.00 0.00 53 D 7.97 4.34 0.00 2.81 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 54 I 7.66 4.25 1.93 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 1.38 0.93 0.89 0.00 0.00 55 H 8.40 4.93 0.00 3.17 3.29 0.00 5.75 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 56 Q 7.50 4.96 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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124 D 7.98 5.03 0.00 2.75 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 0.00 125 D 8.88 4.11 0.00 2.87 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 0.00 0.00 0.00 126 L 8.48 3.94 0.00 1.74 1.65 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.94 3.93 0.00 1.81 1.70 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.91 4.10 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 0.00 129 I 7.54 3.62 1.98 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 1.58 0.79 0.87 0.00 0.00 130 C 8.37 4.05 0.00 2.98 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 0.00 131 V 8.28 3.63 2.33 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 1.07 0.00 0.00 1.14 0.00 0.00 132 Q 8.11 4.00 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 133 H 8.42 4.06 0.00 3.28 3.45 0.00 5.78 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 0.00 134 E 8.37 4.15 0.00 2.05 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 0.00 2.61 2.52 0.00 135 L 8.47 4.18 0.00 1.68 1.73 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.30 4.42 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 0.00 137 H 7.92 4.42 0.00 3.38 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.14 4.24 0.00 1.80 1.74 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.75 4.45 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 0.00 140 G 8.33 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 0.00 141 K 8.11 4.78 0.00 1.94 1.67 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.35 7.81 142 L 8.57 4.77 0.00 1.38 1.28 0.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.66 4.48 0.00 3.28 3.24 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 0.00 144 V 6.72 3.18 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 -0.12 0.00 0.00 -0.18 0.00 0.00 145 D 7.69 4.29 0.00 2.34 2.43 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 0.00 146 Y 7.85 4.35 0.00 3.06 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 0.00 147 L 7.04 4.52 0.00 1.69 1.60 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.30 4.29 0.00 4.05 4.01 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 0.00 0.00 0.00 149 P 0.00 4.22 0.00 2.18 2.14 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 150 L 7.82 4.05 0.00 1.69 1.72 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.18 3.94 0.00 1.85 1.93 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.46 7.81 152 R 8.24 3.88 0.00 1.84 1.98 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 153 N 8.69 4.37 0.00 2.80 3.02 0.00 0.00 6.66 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 0.00 154 R 7.94 3.87 0.00 2.06 2.06 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 155 I 7.68 3.73 2.11 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 1.45 0.73 1.05 0.00 0.00 156 K 8.48 3.82 0.00 1.93 1.95 0.00 1.25 0.00 0.00 1.33 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 0.94 7.81 157 E 8.41 4.05 0.00 2.02 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 2.29 2.42 0.00 158 K 8.25 3.94 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.72 7.81 159 L 7.85 4.03 0.00 1.62 1.74 1.16 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.55 4.02 0.00 2.02 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 2.19 2.40 0.00 161 K 7.96 3.85 0.00 2.05 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.64 7.81 162 I 7.37 3.82 2.06 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 1.55 0.65 0.94 0.00 0.00 163 K 7.60 4.56 0.00 1.78 1.75 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.34 7.81 164 R 7.51 3.72 0.00 1.63 2.02 0.00 2.45 0.00 0.00 2.88 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 165 F 7.70 4.77 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 0.00 166 N 7.94 4.47 0.00 2.85 2.77 0.00 0.00 6.93 7.23 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 0.00 167 E 8.68 4.13 0.00 2.22 2.02 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 2.17 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.