NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3405 8.2649 123.5958 51.9960 19.8966 175.9663 2 N 4.6792 8.6386 116.8747 51.0262 40.5034 172.7693 3 A 4.7276 8.4836 126.1153 49.4991 22.5776 175.2276 4 F 3.9713 8.7413 121.1783 59.7295 39.4510 171.0736 5 L 3.3455 7.9020 135.0000 54.1624 41.2309 174.5108 *8 L 4.2790 8.4075 122.4489 54.4247 43.6522 177.6178 9 R 4.1844 7.6774 116.6297 54.5869 30.8332 174.4877 10 P 4.3654 0.0000 0.0000 62.1935 31.9999 176.4939 11 G 3.5696 8.1565 108.6464 45.8221 0.0000 173.7996 12 S 4.1813 8.0749 116.4340 56.4579 64.3895 173.8358 13 L 3.5630 8.3978 127.6429 56.5713 41.6094 177.7706 *15 R 4.1857 7.8788 114.4673 56.2141 31.1618 176.5805 *17 C 4.9248 8.0679 114.0443 56.8253 42.0133 173.8158 18 K 4.3900 7.6736 117.9749 56.7662 32.0503 176.7695 *21 Q 4.3534 8.0088 116.9525 55.9123 29.9062 173.8218 22 C 5.1619 9.0537 117.4377 53.3511 43.9818 174.0839 23 S 4.8186 8.5322 116.8546 57.4988 64.1159 174.5638 24 F 2.6496 8.0430 122.9204 58.0122 36.7864 174.5843 *27 A 4.0911 7.9482 126.9869 51.7206 20.8434 179.5190 28 R 4.3553 7.4097 116.8129 55.7861 29.4977 178.5994 *30 I 3.8098 7.8963 118.1948 61.0526 38.9438 177.5486 31 F 4.2534 7.5872 116.9165 57.9066 38.8598 175.6694 32 K 4.1905 7.9947 122.7551 57.0798 31.2429 175.6925 33 D 4.3797 7.6563 117.2980 54.3154 41.8982 177.2067 34 A 4.0320 8.5634 124.8015 53.8724 18.2646 179.1846 *36 R 4.1791 7.9731 118.3758 57.3577 32.2228 178.2352 37 T 3.7426 7.7879 114.3492 66.4625 68.3595 177.0471 38 K 4.3014 8.4642 120.7518 59.5232 31.9187 179.1684 39 L 4.0043 7.9560 118.9632 57.9002 42.2209 178.2773 40 F 4.3206 7.8260 120.7277 60.6535 39.4410 177.3598 41 W 4.1592 8.9689 128.7330 60.0444 30.2614 177.7806 42 I 3.6759 7.7783 112.7562 64.1995 37.1902 178.0121 43 S 4.1988 7.7141 116.1070 60.9111 62.8915 175.5195 44 Y 3.7618 7.0833 121.0067 60.2049 37.7909 177.6731 45 S 3.9375 7.2351 112.4208 58.2792 63.3035 175.3478 46 D 4.3096 7.2698 121.9745 54.5027 41.2081 173.6709 47 G 3.7892 6.8709 110.3775 44.7785 0.0000 172.6125 48 D 4.5314 8.3045 122.9796 54.1857 40.6422 176.3794 49 Q 4.2546 8.8374 125.4335 57.3714 28.8357 177.1319 50 C 4.4270 8.7674 116.0717 57.1747 40.3091 175.1719 51 A 3.8210 7.6288 123.0737 55.0899 18.0189 179.6219 52 S 4.0557 7.8854 111.9581 59.0723 63.9170 173.9938 53 S 3.6497 7.6509 116.8846 58.9437 60.1227 171.0275 54 P 4.1505 0.0000 0.0000 65.4841 31.7920 177.5860 55 C 4.4781 7.8691 116.2509 56.7510 40.9470 173.3572 56 Q 4.1397 9.0060 125.7177 55.2688 29.9514 175.3956 57 N 3.9668 9.3662 113.1022 54.6153 35.8096 175.0536 58 G 3.7448 8.1445 100.8568 46.3608 0.0000 174.3851 59 G 4.0422 7.7969 107.4540 45.3529 0.0000 173.7359 60 S 4.8590 9.3068 115.5302 56.6565 65.8779 173.2095 61 C 5.0916 8.9000 125.2644 55.8743 40.3483 172.5235 62 K 4.6217 9.0951 126.6795 54.3397 34.4266 174.8046 63 D 4.8269 8.8501 127.6245 54.8949 42.0849 175.0217 64 Q 4.4946 8.5093 122.3404 54.2523 33.1752 174.2826 65 L 4.2163 8.4023 118.8510 55.7808 41.2088 177.2439 66 Q 3.4439 9.2950 125.5366 56.3553 26.9718 173.6097 67 S 4.6060 7.4850 110.0629 58.5300 64.7482 174.0915 68 Y 5.2997 7.5590 117.9417 55.9318 41.4578 174.1517 69 I 4.6398 8.7924 118.7230 59.9206 41.4954 173.9345 70 C 5.4208 8.9508 123.8995 55.4968 40.5095 172.9752 71 F 4.7063 9.4819 123.1033 56.2584 40.4516 175.0928 72 C 5.0401 8.7816 121.2496 55.3174 39.4173 173.3855 73 L 4.5670 8.5611 119.3623 53.7534 42.4280 176.6769 74 P 4.1005 0.0000 0.0000 66.1075 31.5382 177.6179 75 A 4.0936 7.9159 117.4785 52.3692 17.9439 176.3703 76 F 5.3907 8.2365 115.8995 56.8730 43.2044 173.4643 77 E 4.5806 8.8740 119.4550 55.5405 32.6403 174.8958 78 G 4.1950 9.1557 104.9342 45.1798 0.0000 174.4310 79 R 3.8304 8.4264 121.6243 59.0306 30.1677 177.3908 80 N 5.0320 8.4619 113.7589 52.9441 39.0935 174.2211 81 C 4.4987 8.6786 113.4170 58.0024 38.3264 174.4758 82 E 3.8943 8.2902 118.0094 58.2419 29.9102 176.5587 83 T 4.3275 7.9336 118.2708 62.9444 69.4567 173.4069 84 H 4.8174 8.8602 124.1218 54.5198 29.1018 176.3836 85 K 4.1060 8.2183 124.9731 58.5162 31.9386 177.6608 86 D 4.7297 7.8457 117.0402 54.3838 41.1287 176.2247 87 D 5.0630 7.8444 119.4658 54.5591 41.3694 176.4964 88 Q 4.6312 7.9385 115.0118 55.7250 30.1576 176.3080 89 L 4.3298 7.9079 118.9371 54.9962 41.7808 175.8922 90 I 4.6477 7.1861 111.7689 58.9247 40.5704 177.3043 91 C 4.2092 9.4500 120.3424 60.5715 40.0802 176.5076 92 V 3.6874 7.7717 109.0891 62.5046 31.2792 176.0853 93 N 4.6486 7.9879 120.7486 52.4769 37.9771 174.0319 94 E 3.5406 8.7751 127.9104 57.5454 27.2284 174.6733 95 N 4.6029 8.3852 111.0074 53.0959 37.6743 173.7630 96 G 4.0613 8.7351 101.4455 45.9209 0.0000 175.6107 97 G 3.9050 8.3499 105.8941 45.5119 0.0000 174.4334 98 C 4.4926 8.0770 117.7877 56.5269 40.8456 173.7119 99 E 4.0127 9.1738 125.1957 58.4202 30.5358 177.0439 100 Q 4.1947 8.0939 112.1361 56.0778 30.9826 176.5872 101 Y 4.9246 5.3700 120.4899 57.9468 40.7931 174.8077 102 C 5.4823 8.7733 121.4239 55.0081 44.3012 173.2641 103 S 4.6883 8.8882 120.7248 56.6632 65.8934 173.7077 104 D 4.8020 8.7041 124.5444 54.8504 41.8616 176.0794 105 H 4.7230 8.3281 117.1649 54.6165 32.4371 174.0016 106 T 3.7783 8.5291 115.8173 63.0501 68.4103 172.7529 107 G 3.9743 8.4306 120.4303 46.1192 0.0000 175.6167 108 T 4.1249 7.3138 110.9572 60.2272 70.0120 173.6858 109 K 4.4291 8.1448 120.5124 55.4692 34.0917 176.3252 110 R 4.5172 7.5894 117.5345 56.4059 30.4151 175.7961 111 S 4.9281 8.8211 113.9118 56.8626 66.3822 172.2258 112 C 5.5034 8.7654 117.9952 55.7225 39.6849 172.8786 113 R 4.8454 9.0121 119.9328 55.0267 34.8368 172.9515 114 C 5.1499 8.5522 115.9445 55.3718 38.7007 173.8418 115 H 4.6639 9.2195 120.1666 55.0321 30.3204 174.2605 116 E 4.1166 8.3755 124.0376 58.0861 29.8960 177.3338 117 G 3.9594 9.6293 112.5984 45.3224 0.0000 171.9233 118 Y 5.3080 7.6533 115.0317 56.3757 42.2971 174.8175 119 S 4.8139 9.2268 116.0963 56.5975 67.7101 173.2866 120 L 4.5885 8.5062 125.1425 54.9568 42.7386 176.7695 121 L 4.4642 9.1117 126.8099 53.9124 42.9198 177.9793 122 A 4.0952 8.6307 122.4837 54.9566 18.3766 178.7163 123 D 4.3398 8.0451 114.4917 54.5494 39.5950 177.5128 124 G 3.9854 8.2961 107.5505 45.9554 0.0000 174.3670 125 V 4.4766 9.2084 112.5174 60.5466 35.3106 175.5429 126 S 5.1085 8.4759 115.9227 57.1888 65.3456 173.7893 127 C 5.5982 10.1804 120.3834 55.5404 41.4180 173.5619 128 T 4.9148 8.9359 116.4158 59.4052 70.6571 171.3084 129 P 4.2757 0.0000 0.0000 63.1416 31.8528 176.0274 130 T 4.5747 8.7592 112.7165 61.4216 69.6811 173.5745 131 V 4.4655 7.2078 113.9028 59.8200 35.9223 174.8320 132 E 3.8230 8.5667 121.1425 58.7629 29.7044 176.3144 133 Y 4.8200 7.2723 115.1339 54.9290 38.5703 172.8414 134 P 4.3235 0.0000 0.0000 61.9543 32.5457 177.0322 135 C 4.3803 8.5000 115.1838 59.5760 30.0013 174.1760 136 G 3.9460 8.7963 108.1615 45.8379 0.0000 173.4880 137 K 4.5807 7.5169 117.8005 54.4892 34.5721 176.4232 138 I 4.2995 7.9141 123.2038 59.0291 37.4447 174.7062 139 P 4.2702 0.0000 0.0000 65.7553 31.2923 178.6924 140 I 4.1612 7.7701 106.2191 61.5647 37.1562 176.0568 141 L 4.7132 7.9317 119.7200 54.6391 43.7915 176.4261 142 E 4.1998 7.9131 122.1188 56.4800 29.4424 176.1371 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 1 A 8.26 4.34 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 2 N 8.64 4.68 0.00 2.79 2.75 0.00 0.00 6.77 6.46 0.00 0.00 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 A 8.48 4.73 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 4 F 8.74 3.97 0.00 2.94 3.07 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 5 L 7.90 3.35 0.00 1.41 1.42 0.68 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *8 L 8.41 4.28 0.00 1.67 1.71 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.68 4.18 0.00 1.75 1.81 0.00 3.19 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 10 P 0.00 4.37 0.00 1.98 1.95 0.00 3.63 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 1.99 2.05 0.00 11 G 8.16 3.57 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 0.00 0.00 0.00 12 S 8.07 4.18 0.00 3.71 3.66 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 13 L 8.40 3.56 0.00 1.38 1.46 0.59 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.88 4.19 0.00 1.82 1.92 0.00 3.31 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 *17 C 8.07 4.92 0.00 3.12 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 18 K 7.67 4.39 0.00 1.79 1.87 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.53 7.81 *21 Q 8.01 4.35 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 22 C 9.05 5.16 0.00 3.16 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 23 S 8.53 4.82 0.00 4.10 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 24 F 8.04 2.65 0.00 1.92 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 *27 A 7.95 4.09 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.41 4.36 0.00 1.35 1.68 0.00 3.39 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 *30 I 7.90 3.81 1.18 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.38 0.21 0.00 0.00 31 F 7.59 4.25 0.00 2.97 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 32 K 7.99 4.19 0.00 1.92 1.92 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.46 7.81 33 D 7.66 4.38 0.00 2.77 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 34 A 8.56 4.03 1.35 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 0.00 0.00 0.00 *36 R 7.97 4.18 0.00 2.05 1.91 0.00 3.18 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 37 T 7.79 3.74 4.37 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 0.66 0.00 0.00 38 K 8.46 4.30 0.00 1.89 1.99 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.79 7.81 39 L 7.96 4.00 0.00 1.62 1.83 0.93 0.67 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 40 F 7.83 4.32 0.00 2.54 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 41 W 8.97 4.16 0.00 3.80 3.32 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 42 I 7.78 3.68 1.86 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 1.80 0.71 0.97 0.00 0.00 43 S 7.71 4.20 0.00 3.76 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 44 Y 7.08 3.76 0.00 1.85 2.24 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 45 S 7.24 3.94 0.00 3.51 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 46 D 7.27 4.31 0.00 2.87 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 47 G 6.87 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 0.00 0.00 0.00 48 D 8.30 4.53 0.00 2.71 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 49 Q 8.84 4.25 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.62 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 50 C 8.77 4.43 0.00 3.30 3.04 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 51 A 7.63 3.82 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 52 S 7.89 4.06 0.00 3.70 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 53 S 7.65 3.65 0.00 3.97 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 54 P 0.00 4.15 0.00 1.82 1.78 0.00 3.49 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.00 55 C 7.87 4.48 0.00 2.97 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 56 Q 9.01 4.14 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.14 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 57 N 9.37 3.97 0.00 1.60 1.42 0.00 0.00 6.86 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 58 G 8.14 3.74 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 0.00 0.00 0.00 59 G 7.80 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 60 S 9.31 4.86 0.00 3.71 3.68 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 61 C 8.90 5.09 0.00 2.96 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 62 K 9.10 4.62 0.00 2.06 1.86 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.59 7.81 63 D 8.85 4.83 0.00 2.83 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 64 Q 8.51 4.49 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 65 L 8.40 4.22 0.00 1.62 1.62 0.91 0.96 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 66 Q 9.29 3.44 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 67 S 7.48 4.61 0.00 3.82 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 Y 7.56 5.30 0.00 2.99 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 69 I 8.79 4.64 2.01 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 1.15 0.67 0.69 0.00 0.00 70 C 8.95 5.42 0.00 3.04 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 71 F 9.48 4.71 0.00 2.95 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 72 C 8.78 5.04 0.00 3.04 3.18 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 73 L 8.56 4.57 0.00 2.10 1.75 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.10 0.00 2.03 2.13 0.00 3.73 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 2.06 2.16 0.00 75 A 7.92 4.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.24 5.39 0.00 3.08 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 77 E 8.87 4.58 0.00 2.08 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 0.00 2.24 2.29 0.00 78 G 9.16 4.19 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 0.00 0.00 0.00 79 R 8.43 3.83 0.00 1.77 2.05 0.00 3.22 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 80 N 8.46 5.03 0.00 2.89 3.05 0.00 0.00 7.10 7.73 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 81 C 8.68 4.50 0.00 3.10 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 82 E 8.29 3.89 0.00 2.10 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 2.32 2.30 0.00 83 T 7.93 4.33 4.47 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 1.26 0.00 0.00 84 H 8.86 4.82 0.00 3.33 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.22 4.11 0.00 1.68 1.80 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.44 7.81 86 D 7.85 4.73 0.00 2.61 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 87 D 7.84 5.06 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 88 Q 7.94 4.63 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.75 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 89 L 7.91 4.33 0.00 1.72 1.60 0.97 0.88 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 90 I 7.19 4.65 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 1.51 0.56 0.91 0.00 0.00 91 C 9.45 4.21 0.00 3.11 3.18 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 92 V 7.77 3.69 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 0.66 0.00 0.00 0.93 0.00 0.00 93 N 7.99 4.65 0.00 2.80 2.97 0.00 0.00 7.13 7.69 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 94 E 8.78 3.54 0.00 2.19 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 2.29 2.21 0.00 95 N 8.39 4.60 0.00 2.93 2.81 0.00 0.00 7.61 7.91 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 96 G 8.74 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 97 G 8.35 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 0.00 0.00 0.00 98 C 8.08 4.49 0.00 3.07 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 99 E 9.17 4.01 0.00 1.88 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 0.00 2.19 2.21 0.00 100 Q 8.09 4.19 0.00 1.72 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.67 0.00 0.00 0.00 0.00 0.00 1.89 2.04 0.00 101 Y 5.37 4.92 0.00 2.92 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 0.00 102 C 8.77 5.48 0.00 3.04 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 0.00 103 S 8.89 4.69 0.00 3.75 3.61 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 0.00 104 D 8.70 4.80 0.00 2.51 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 0.00 105 H 8.33 4.72 0.00 3.25 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.53 3.78 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 0.00 107 G 8.43 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 0.00 0.00 0.00 108 T 7.31 4.12 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 0.00 109 K 8.14 4.43 0.00 1.89 1.85 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.43 7.81 110 R 7.59 4.52 0.00 1.99 1.99 0.00 3.07 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 111 S 8.82 4.93 0.00 3.94 4.03 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 0.00 112 C 8.77 5.50 0.00 2.99 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 0.00 113 R 9.01 4.85 0.00 1.86 1.93 0.00 3.13 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 114 C 8.55 5.15 0.00 2.82 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 9.22 4.66 0.00 2.76 2.99 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.38 4.12 0.00 2.00 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 2.35 2.37 0.00 117 G 9.63 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 Y 7.65 5.31 0.00 2.88 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 0.00 119 S 9.23 4.81 0.00 3.71 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 0.00 120 L 8.51 4.59 0.00 1.66 1.59 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.11 4.46 0.00 1.60 1.60 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.63 4.10 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 0.00 123 D 8.05 4.34 0.00 2.78 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 0.00 124 G 8.30 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 0.00 0.00 0.00 125 V 9.21 4.48 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 0.69 0.00 0.00 1.02 0.00 0.00 126 S 8.48 5.11 0.00 3.83 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 C 10.18 5.60 0.00 2.52 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 0.00 128 T 8.94 4.91 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 1.23 0.00 0.00 129 P 0.00 4.28 0.00 1.81 1.65 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 130 T 8.76 4.57 4.20 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 0.00 0.00 1.23 0.00 0.00 131 V 7.21 4.47 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 0.67 0.00 0.00 0.85 0.00 0.00 132 E 8.57 3.82 0.00 1.68 1.69 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 1.47 1.58 0.00 133 Y 7.27 4.82 0.00 2.96 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 1.63 1.56 0.00 3.73 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 2.01 1.71 0.00 135 C 8.50 4.38 0.00 3.12 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 0.00 136 G 8.80 3.95 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 0.00 0.00 0.00 137 K 7.52 4.58 0.00 1.93 1.76 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.60 7.81 138 I 7.91 4.30 1.89 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 1.43 0.98 0.92 0.00 0.00 139 P 0.00 4.27 0.00 2.24 2.33 0.00 3.63 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 140 I 7.77 4.16 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 1.43 0.54 0.93 0.00 0.00 141 L 7.93 4.71 0.00 1.76 1.70 0.93 0.71 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 0.00 142 E 7.91 4.20 0.00 1.99 1.86 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 2.53 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.