NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 F 4.4552 8.3244 118.9727 56.5818 40.8656 175.6726 4 T 3.9896 7.3396 113.1401 61.5048 69.4558 173.4713 5 Y 3.7915 8.3876 123.0109 60.7932 38.4002 178.0107 6 S 4.2783 8.1021 113.9454 61.5774 62.6105 175.4680 7 Y 4.0549 7.9610 121.7905 60.4491 38.6651 177.5784 8 L 3.8345 7.8705 119.7482 57.8947 41.8143 179.4387 9 F 4.6311 8.2813 118.3452 60.6846 38.7892 177.9759 10 R 4.0328 8.0130 115.3183 59.4646 29.3465 178.8273 11 M 3.9222 7.8799 119.4065 57.9041 31.8303 178.8704 12 I 3.6871 7.7998 119.9772 64.5076 37.3807 178.4396 13 S 4.1025 7.9601 115.9194 61.9055 62.6748 176.2650 14 H 4.0654 8.3480 120.7266 59.4889 29.6816 176.9555 15 E 3.8482 8.4677 121.2218 59.3180 29.2913 178.4542 16 M 4.0250 8.5224 118.9662 58.2969 32.2031 178.1629 17 K 3.8479 8.0543 119.9897 59.3405 32.4615 178.6186 18 Q 3.8775 8.1017 120.0130 58.9436 28.9450 178.2837 19 K 3.9237 8.1560 120.4312 59.3206 32.2128 178.6504 20 A 4.1085 8.1786 121.2998 55.5294 18.4668 179.4259 21 D 4.2862 8.4255 117.6367 57.3832 40.5685 178.8043 22 Q 3.9988 7.7199 119.3539 59.0536 29.4376 178.2806 23 K 4.3489 8.1961 119.5167 59.6070 32.2025 179.4716 24 L 4.2540 8.3503 119.2677 57.5487 41.4855 178.8473 25 E 4.2747 8.1872 117.1929 57.9120 29.2504 177.8924 26 Q 4.2827 7.7473 116.9182 56.1483 29.0605 175.9102 27 F 4.7121 7.5873 116.7707 56.1572 40.7324 174.1651 28 D 4.6316 8.0457 119.0233 55.6990 39.7210 173.6847 29 I 4.7564 7.7657 117.8710 59.2018 40.6963 177.1114 30 T 4.4320 8.9578 116.5041 60.5670 71.3312 175.4787 31 N 4.1562 8.4866 118.3191 56.9871 38.8910 176.2167 32 E 4.0269 8.0916 120.1052 59.3250 29.8235 178.5150 33 Q 4.1440 8.1402 117.9928 58.6490 28.6112 179.0777 34 G 3.3866 8.0808 106.9901 48.1454 0.0000 175.6132 35 H 4.3566 8.0768 118.9812 58.6320 28.6205 178.0681 36 T 3.9649 8.1798 117.6082 66.7119 68.3847 176.4513 37 L 4.1937 8.2351 120.9219 58.0865 41.6131 180.0188 38 G 3.8148 8.6022 105.6292 47.9971 0.0000 175.1179 39 Y 4.1890 8.3006 121.4039 60.5805 39.0409 177.7935 40 L 4.0992 8.4052 120.1428 57.8552 41.5107 178.8178 41 Y 4.0634 8.2151 118.4574 59.8475 38.8061 176.8627 42 A 4.2885 7.4139 119.5207 52.4326 19.5637 176.7835 43 H 4.7773 7.4221 114.6915 55.2347 30.0600 174.0986 44 Q 4.3044 8.0660 115.8223 56.7269 29.1846 176.5967 45 Q 4.1269 7.9352 118.3284 58.3705 28.9726 176.4907 46 D 4.6834 8.0142 114.9321 53.0267 43.1940 175.0749 47 G 3.8883 8.0095 107.0903 44.8482 0.0000 172.9733 48 L 4.8231 8.4935 126.3647 52.9219 44.1712 176.3473 49 T 5.1997 9.0304 114.7605 59.2378 72.3957 175.5739 50 Q 3.9733 8.4388 121.7473 59.5361 28.9344 178.3452 51 N 4.3524 8.0522 117.0579 56.2075 38.6583 176.8921 52 D 4.3623 7.9311 120.0718 57.4052 40.8732 178.8951 53 I 3.4926 7.6625 119.4984 64.3449 37.1382 178.2139 54 A 3.9321 7.9180 121.5294 55.6076 18.0750 178.9688 55 K 3.8450 8.1830 118.0507 59.0929 31.9950 178.4890 56 A 3.8477 8.0068 122.7240 55.2705 18.4220 179.1446 57 L 3.9305 7.9088 115.9701 54.6545 43.0081 176.7253 58 Q 3.4483 8.0787 117.1532 56.6968 26.1833 172.5438 59 R 4.7117 8.0175 115.0209 53.5444 35.1270 176.5389 60 T 4.2463 8.2310 110.0261 61.2387 70.8798 175.3866 61 G 3.7826 8.6973 110.0421 47.9351 0.0000 174.0918 62 P 4.0370 0.0000 0.0000 65.5724 30.9759 178.5847 63 T 3.8763 7.6305 115.1674 66.4776 68.3390 176.9818 64 V 3.5771 8.0596 120.5236 65.8361 31.6183 177.8299 65 S 4.0507 8.8066 113.6417 61.6580 62.1620 175.8660 66 N 4.3597 8.0873 119.1552 56.3720 38.6085 176.6432 67 L 4.0059 7.6989 121.8383 58.0157 42.1903 178.8913 68 L 4.0354 8.2139 119.1945 57.5525 41.4019 179.4901 69 R 3.8966 7.9546 118.7569 59.2866 30.1966 178.0901 70 N 4.2887 7.9791 116.5356 56.8503 39.1363 176.9017 71 L 4.1631 8.1079 120.3331 57.7076 41.5486 179.4349 72 E 4.0228 8.4933 119.1284 59.5781 29.2234 179.5644 73 R 3.9732 8.0670 117.0005 58.9583 30.2007 178.4812 74 K 4.2147 7.6004 114.5101 55.8339 32.5533 176.7764 75 K 3.9813 8.1010 118.1208 57.7100 30.0684 176.1818 76 L 4.6812 7.8839 118.2922 55.5352 43.0045 176.7020 77 I 5.3125 7.5801 111.0261 60.0330 41.1472 172.8618 78 Y 5.1298 8.6533 120.5013 56.2343 41.9098 173.5400 79 R 5.3801 8.8076 114.3746 54.9968 32.6372 174.0534 80 Y 5.0081 7.8262 118.1611 55.2297 41.6092 174.7064 81 V 4.2454 8.7440 118.6680 62.0135 32.4750 176.3287 82 D 4.7337 9.0082 126.6283 53.8708 39.8582 174.9499 83 A 4.2232 8.9172 125.1944 53.1715 19.0214 178.0683 84 Q 4.4259 8.0411 115.9007 56.8313 29.0159 176.6571 *87 R 4.4122 8.0086 118.8259 57.0353 31.7448 179.3717 88 R 4.7340 7.8149 118.6499 55.9208 34.4332 177.1777 89 K 4.6397 8.4365 120.9334 54.8358 34.1232 175.5356 90 N 4.8888 8.3131 123.1553 52.6416 40.1678 174.1692 91 I 4.5756 8.6639 124.0117 59.5321 39.3151 175.4716 92 G 3.8865 8.1689 112.6389 44.0079 0.0000 171.4017 93 L 4.9195 8.5380 124.7123 54.6780 43.2988 176.6161 94 T 4.5253 8.5671 116.2353 61.1400 70.8802 175.9246 95 T 3.8829 8.6281 117.8006 66.9019 68.2932 177.0266 96 S 4.2235 8.1666 115.7659 61.2532 63.0494 176.5983 97 G 3.6082 8.0593 109.4460 47.7405 0.0000 175.8273 98 I 3.8314 8.0256 122.5787 64.0748 37.0492 178.7282 99 K 3.9189 8.2842 119.5890 59.1659 31.8137 179.2449 100 L 3.6853 8.0787 121.0300 58.0657 41.8956 179.2394 101 V 2.0000 7.3508 118.0530 65.2630 31.0295 177.8964 102 E 3.5337 7.4192 117.5576 58.7154 29.1500 178.7447 103 A 3.9855 7.6196 121.3060 54.9404 18.4576 179.1785 104 F 4.1056 6.8629 111.0899 58.3621 38.1093 177.6136 105 T 3.7749 6.7852 117.1992 66.4238 68.2340 176.8344 106 S 4.1499 7.5493 116.8847 61.3274 62.8284 176.6481 107 I 3.8179 7.4529 122.2613 64.3822 36.9164 178.3008 108 F 4.6655 7.8258 118.9015 60.7677 38.7203 177.5067 109 D 4.4647 8.0906 118.8211 57.2503 40.6005 178.3724 110 E 4.0091 8.2806 120.0118 59.5374 29.6131 178.8400 111 M 4.1447 8.1819 118.8992 58.2943 32.0063 178.3239 112 E 3.9727 8.2794 119.5506 59.4272 29.7340 178.9640 113 Q 4.0589 8.2471 118.1734 59.1417 28.5199 178.7520 114 T 3.8827 7.8373 116.1030 66.4281 68.7999 176.1278 115 L 4.1035 7.9347 122.2842 58.1197 42.0721 179.1779 116 V 3.6394 7.8366 118.4445 65.9170 31.3137 177.6874 117 S 4.4474 8.1181 109.9956 59.7167 62.6872 174.9701 118 Q 4.2844 7.7936 123.1337 56.3602 29.3231 174.9236 119 L 4.9580 7.2961 118.5809 52.2177 45.2222 176.6751 120 S 4.4727 8.5656 116.4770 57.6098 65.3347 175.0598 121 E 3.8882 8.5897 121.5167 59.5139 29.3122 178.2282 122 E 3.9505 8.1075 118.7474 59.3099 29.7244 178.3965 123 E 4.0046 8.1583 118.5398 59.3825 29.4224 179.0343 124 N 4.3310 8.4100 116.6516 56.3774 38.7193 177.1220 125 E 3.9646 8.0386 119.5893 59.6933 29.5315 179.6088 126 Q 3.9856 8.1145 117.8216 59.0771 28.7030 178.3320 127 M 4.0368 8.3583 119.5602 58.8209 32.3674 178.4675 128 K 3.9571 8.3926 118.4921 59.2817 32.1725 179.3152 129 A 3.9868 7.9729 120.9262 55.3461 18.3667 179.5093 130 N 4.3141 8.5194 115.4147 56.4235 38.5545 177.7331 131 L 4.0303 8.2770 120.7179 57.8171 41.6210 179.7519 132 T 3.8012 7.6684 115.2827 66.5472 68.3830 176.6655 133 K 3.8569 8.0583 120.3487 60.0486 31.9435 179.2920 134 M 4.2008 7.9392 119.9831 57.7427 31.6103 178.6037 135 L 3.9948 7.7349 119.5103 57.5736 42.4621 178.9567 136 S 4.2964 7.9040 115.7110 61.3886 62.9346 176.3546 137 S 4.3347 8.1747 117.0541 61.4948 62.1166 176.1606 138 L 4.2359 7.3802 119.2345 55.8966 41.7491 176.6784 139 Q 4.1748 8.2619 122.6591 55.9660 28.8071 175.4085 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 F 8.32 4.46 0.00 2.32 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 0.00 0.00 0.00 0.00 4 T 7.34 3.99 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 1.35 0.00 0.00 5 Y 8.39 3.79 0.00 3.09 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 6 S 8.10 4.28 0.00 3.99 3.94 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 7 Y 7.96 4.05 0.00 3.11 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 8 L 7.87 3.83 0.00 1.60 1.56 0.72 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.28 4.63 0.00 3.15 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 10 R 8.01 4.03 0.00 2.05 2.32 0.00 2.78 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 11 M 7.88 3.92 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.96 0.00 12 I 7.80 3.69 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 0.95 0.00 0.00 13 S 7.96 4.10 0.00 4.04 3.92 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 14 H 8.35 4.07 0.00 3.26 3.50 0.00 5.79 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 15 E 8.47 3.85 0.00 2.33 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 2.30 2.34 0.00 16 M 8.52 4.02 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 17 K 8.05 3.85 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.40 7.81 18 Q 8.10 3.88 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 19 K 8.16 3.92 0.00 1.94 1.91 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 20 A 8.18 4.11 1.22 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 0.00 0.00 0.00 21 D 8.43 4.29 0.00 2.70 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 22 Q 7.72 4.00 0.00 2.31 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 23 K 8.20 4.35 0.00 2.19 2.00 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.81 1.77 7.81 24 L 8.35 4.25 0.00 1.67 1.81 0.76 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.19 4.27 0.00 2.18 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 2.48 2.49 0.00 26 Q 7.75 4.28 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 27 F 7.59 4.71 0.00 3.14 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 28 D 8.05 4.63 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 29 I 7.77 4.76 1.98 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 1.68 1.13 0.80 0.00 0.00 30 T 8.96 4.43 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 1.27 0.00 0.00 31 N 8.49 4.16 0.00 3.07 2.84 0.00 0.00 6.52 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 32 E 8.09 4.03 0.00 2.13 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 0.00 2.38 2.47 0.00 33 Q 8.14 4.14 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 34 G 8.08 3.39 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 35 H 8.08 4.36 0.00 3.37 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 36 T 8.18 3.96 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 37 L 8.24 4.19 0.00 2.08 1.90 1.09 0.85 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 38 G 8.60 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 0.00 0.00 0.00 39 Y 8.30 4.19 0.00 3.14 3.30 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 40 L 8.41 4.10 0.00 1.98 1.74 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.22 4.06 0.00 2.99 3.17 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 42 A 7.41 4.29 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 43 H 7.42 4.78 0.00 2.64 3.06 0.00 5.85 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 44 Q 8.07 4.30 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.52 7.10 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 45 Q 7.94 4.13 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 46 D 8.01 4.68 0.00 2.62 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 8.01 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 0.00 0.00 0.00 48 L 8.49 4.82 0.00 1.69 1.61 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.03 5.20 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 1.16 0.00 0.00 50 Q 8.44 3.97 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 51 N 8.05 4.35 0.00 2.75 2.83 0.00 0.00 7.16 8.08 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 52 D 7.93 4.36 0.00 2.91 2.80 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 53 I 7.66 3.49 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.90 0.00 0.00 54 A 7.92 3.93 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 55 K 8.18 3.85 0.00 2.12 1.67 0.00 1.52 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.46 7.81 56 A 8.01 3.85 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 57 L 7.91 3.93 0.00 1.69 1.64 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.08 3.45 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 59 R 8.02 4.71 0.00 1.70 1.74 0.00 3.31 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 60 T 8.23 4.25 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 1.20 0.00 0.00 61 G 8.70 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 0.00 0.00 0.00 62 P 0.00 4.04 0.00 2.27 2.33 0.00 3.60 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 2.07 2.06 0.00 63 T 7.63 3.88 4.41 0.00 0.00 0.00 0.00 0.00 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 64 V 8.06 3.58 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 0.98 0.00 0.00 65 S 8.81 4.05 0.00 4.08 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 66 N 8.09 4.36 0.00 3.01 2.92 0.00 0.00 6.92 6.13 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 67 L 7.70 4.01 0.00 1.83 1.83 0.93 1.10 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 68 L 8.21 4.04 0.00 1.84 1.70 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.95 3.90 0.00 2.08 1.93 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 70 N 7.98 4.29 0.00 2.79 2.99 0.00 0.00 7.26 7.98 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 71 L 8.11 4.16 0.00 1.92 1.75 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.49 4.02 0.00 2.21 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 2.37 2.52 0.00 73 R 8.07 3.97 0.00 1.79 2.02 0.00 3.17 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 74 K 7.60 4.21 0.00 2.01 1.89 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.50 7.81 75 K 8.10 3.98 0.00 1.92 1.95 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.43 7.81 76 L 7.88 4.68 0.00 1.80 1.75 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.58 5.31 1.92 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 1.44 0.54 0.95 0.00 0.00 78 Y 8.65 5.13 0.00 3.15 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 79 R 8.81 5.38 0.00 1.79 1.79 0.00 2.59 0.00 0.00 4.01 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 80 Y 7.83 5.01 0.00 3.12 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 81 V 8.74 4.25 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 0.69 0.00 0.00 0.99 0.00 0.00 82 D 9.01 4.73 0.00 2.42 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.92 4.22 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 84 Q 8.04 4.43 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.19 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 *87 R 8.01 4.41 0.00 1.62 1.84 0.00 3.21 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 88 R 7.81 4.73 0.00 1.43 1.74 0.00 3.20 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 0.00 89 K 8.44 4.64 0.00 1.64 1.66 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81 90 N 8.31 4.89 0.00 1.44 2.14 0.00 0.00 6.43 6.86 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 91 I 8.66 4.58 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.34 0.83 0.00 0.00 92 G 8.17 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 0.00 0.00 0.00 93 L 8.54 4.92 0.00 1.72 1.67 0.99 1.11 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 94 T 8.57 4.53 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 1.47 0.00 0.00 95 T 8.63 3.88 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 1.21 0.00 0.00 96 S 8.17 4.22 0.00 4.06 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 97 G 8.06 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 0.00 0.00 0.00 98 I 8.03 3.83 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.06 1.05 0.00 0.00 99 K 8.28 3.92 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.56 7.81 100 L 8.08 3.69 0.00 1.85 1.54 1.00 0.98 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 0.00 101 V 7.35 2.00 1.61 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 -0.01 0.00 0.00 0.80 0.00 0.00 102 E 7.42 3.53 0.00 1.99 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 0.00 2.19 2.08 0.00 103 A 7.62 3.99 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 0.00 104 F 6.86 4.11 0.00 2.55 2.37 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 0.00 105 T 6.79 3.77 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 1.14 0.00 0.00 106 S 7.55 4.15 0.00 3.99 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 0.00 107 I 7.45 3.82 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.56 1.07 0.00 0.00 108 F 7.83 4.67 0.00 3.20 3.01 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 0.00 109 D 8.09 4.46 0.00 2.94 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 0.00 110 E 8.28 4.01 0.00 2.22 2.22 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 2.35 2.39 0.00 111 M 8.18 4.14 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 112 E 8.28 3.97 0.00 2.14 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 0.00 2.33 2.42 0.00 113 Q 8.25 4.06 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 114 T 7.84 3.88 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 115 L 7.93 4.10 0.00 1.99 1.75 0.94 0.93 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 0.00 116 V 7.84 3.64 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 1.13 0.00 0.00 1.05 0.00 0.00 117 S 8.12 4.45 0.00 4.06 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 0.00 118 Q 7.79 4.28 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 119 L 7.30 4.96 0.00 1.78 1.55 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.57 4.47 0.00 4.08 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 0.00 121 E 8.59 3.89 0.00 2.11 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 2.39 2.44 0.00 122 E 8.11 3.95 0.00 2.08 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 2.39 2.41 0.00 123 E 8.16 4.00 0.00 2.28 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 2.34 2.37 0.00 124 N 8.41 4.33 0.00 3.04 2.88 0.00 0.00 7.04 8.22 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 0.00 125 E 8.04 3.96 0.00 2.18 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 2.34 2.64 0.00 126 Q 8.11 3.99 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 127 M 8.36 4.04 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 128 K 8.39 3.96 0.00 1.93 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.68 7.81 129 A 7.97 3.99 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 0.00 130 N 8.52 4.31 0.00 2.81 2.90 0.00 0.00 7.09 6.56 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 0.00 131 L 8.28 4.03 0.00 1.85 1.66 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.67 3.80 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 1.19 0.00 0.00 133 K 8.06 3.86 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 134 M 7.94 4.20 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.27 0.00 135 L 7.73 3.99 0.00 1.58 1.78 0.82 0.80 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 0.00 136 S 7.90 4.30 0.00 4.06 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 S 8.17 4.33 0.00 4.02 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 0.00 138 L 7.38 4.24 0.00 1.64 1.74 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.26 4.17 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 * Residues marked with a * may have inaccurate shift predictions.