NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.4016 8.1233 123.5818 52.4119 19.6730 178.2798 14 E 2.7912 7.1005 113.0767 56.8406 31.0360 177.7061 15 A 3.9949 8.2981 126.5837 55.6177 20.2222 179.0587 16 G 3.8794 8.2524 104.4070 49.0356 0.0000 175.0568 17 I 3.8018 7.2461 119.9433 63.6718 37.3493 177.4258 18 T 3.9038 8.0860 117.1875 62.5561 68.9246 174.9920 19 G 3.6971 7.2881 112.6141 45.3318 0.0000 170.5012 20 T 4.8467 7.4417 115.8615 61.6316 70.9161 174.1257 21 W 5.4010 8.8551 124.6041 55.2423 34.1035 173.7769 22 Y 5.5216 9.1623 118.8320 56.5903 42.3247 175.1901 23 N 5.5411 9.1640 120.3946 50.7386 39.8887 175.6101 24 Q 4.1534 8.6679 115.6628 58.3533 28.7645 176.6652 25 L 4.3593 8.4687 117.7266 54.5829 42.1688 177.2206 26 G 3.9411 8.2911 107.0471 45.4364 0.0000 173.9298 27 S 4.7304 8.1717 115.1714 58.3290 64.6841 173.1043 28 T 5.1850 8.7080 118.4833 61.8790 71.8311 173.2749 29 F 5.0489 8.8761 126.5656 56.6285 43.0053 173.1517 30 I 4.6654 8.7274 127.9134 59.3887 39.4292 175.1282 31 V 4.6059 8.2225 126.2381 59.9036 35.3145 174.5698 32 T 4.6672 8.7112 119.3607 61.6847 71.1976 172.9050 33 A 4.5639 8.7053 129.9527 50.9928 19.4999 177.1750 34 G 4.0230 9.6207 110.9206 44.9387 0.0000 174.7041 35 A 4.1777 8.7388 123.9269 55.0934 18.4870 178.5985 36 D 4.4584 8.0306 112.1434 53.9925 39.8099 176.9628 37 G 3.2399 8.4484 108.6819 45.1617 0.0000 173.0104 38 A 4.7234 7.9600 121.8032 51.1433 20.3753 176.8639 39 L 5.1951 8.9032 122.7155 53.4607 45.1263 175.5127 40 T 5.0043 9.2448 115.1083 59.5957 72.6599 174.6084 41 G 3.5985 6.9949 108.0978 46.4702 0.0000 170.9445 42 T 5.2076 7.6353 113.6495 60.5204 71.4306 173.5572 43 Y 5.2268 9.2148 127.7696 55.9048 42.4622 174.0387 44 E 5.3691 8.9800 125.1796 54.8526 33.3543 174.4381 45 S 5.1039 9.2841 119.9790 57.2597 63.0604 174.0146 46 A 4.2867 9.0185 129.8882 53.9179 18.6221 176.9723 47 V 4.2730 7.4510 107.7180 61.0475 36.1021 174.8022 48 G 3.4352 8.3622 108.9282 44.4738 0.0000 172.2118 49 N 4.3774 8.2476 118.2287 53.2305 38.3445 175.4149 50 A 4.4342 8.0315 126.5889 51.6850 21.1509 175.0092 51 E 4.4978 10.0043 124.7970 56.5676 31.6264 175.7530 52 S 4.0941 8.8328 122.1008 57.2837 61.2355 167.2153 53 R 4.8822 8.0802 117.9102 55.8304 31.3698 176.6541 54 Y 4.8452 9.2207 122.2293 55.9263 42.2149 175.2357 55 V 4.3625 8.5870 122.6222 63.0089 32.5886 175.0421 56 L 5.1778 9.0700 125.7246 54.5159 44.1781 175.0709 57 T 4.9382 8.4100 114.5399 61.1769 71.6575 173.2335 58 G 4.2757 8.4105 111.6358 46.6403 0.0000 172.0588 59 R 5.6136 8.5436 117.4051 55.1148 34.9875 174.0157 60 Y 5.2329 8.5283 118.3064 55.5864 41.6825 174.1272 61 D 4.5100 8.8635 120.4420 53.3371 41.7707 176.4256 62 S 4.3719 8.2633 119.8688 58.5356 63.6610 175.0721 63 A 4.6844 7.9419 123.0564 50.8605 19.2029 174.5547 64 P 4.8684 0.0000 0.0000 60.5269 34.3471 178.5125 65 A 3.9995 8.9845 126.0132 53.6192 16.8288 179.1715 *68 G 3.9525 9.1671 112.3009 44.4546 0.0000 173.8399 69 S 4.5382 7.9057 114.8410 57.4476 64.0972 173.7508 70 G 4.0378 8.3213 109.9283 46.2519 0.0000 172.8526 71 T 4.8154 8.8997 116.7513 61.6906 70.2351 174.8343 72 A 4.8729 8.7186 129.1972 52.1033 20.0573 175.8817 73 L 5.0167 8.9577 120.3875 55.4601 44.6811 174.1156 74 G 4.6628 9.2259 105.4816 45.6905 0.0000 171.9758 75 W 5.7438 8.5302 116.5890 55.7911 32.0866 173.4816 76 T 5.2728 9.4057 116.7168 61.8258 72.4968 173.2620 77 V 4.2689 8.6354 124.2215 60.8818 34.4203 174.0071 78 A 4.4976 8.2814 129.6478 49.8628 19.8015 178.1199 79 W 4.1766 8.4168 126.2691 55.6677 28.1871 176.6526 80 K 5.1472 7.8015 118.1223 54.8064 35.1801 174.3909 81 N 5.1353 9.0477 123.5477 51.4837 40.0079 174.2221 82 N 4.2542 8.5998 113.8816 55.4325 38.7392 175.2484 83 Y 4.5407 7.4758 114.5529 58.6744 39.9836 175.7410 84 R 4.7786 8.7351 116.9922 54.8845 34.5673 173.7790 85 N 5.1688 8.4747 117.1677 52.9509 40.8269 173.8002 86 A 4.2572 9.4800 128.9079 51.9454 19.9202 176.1627 87 H 4.1597 8.3763 113.3534 55.6911 26.7029 173.7217 88 S 5.1297 7.2177 111.0147 57.8837 66.4124 175.7009 89 A 5.0172 8.8642 121.8730 50.7002 22.8762 175.1719 90 T 5.0173 8.7917 117.0847 61.7402 72.2064 173.3130 91 T 4.9056 8.4892 114.7422 59.6022 72.2296 172.6476 92 W 4.9016 8.4509 123.6823 54.8179 32.0051 174.5189 93 S 4.9571 9.0779 119.3024 56.7488 65.1760 173.2823 94 G 4.5813 8.4031 112.0364 46.5509 0.0000 171.5721 95 Q 5.3172 8.4143 118.0390 54.7770 32.5980 173.6364 96 Y 4.8656 9.3673 124.1270 56.7708 40.5523 174.0684 97 V 4.2342 8.4856 127.0941 61.1218 34.1899 175.4594 98 G 3.6444 8.0585 116.3903 44.4884 0.0000 170.5699 99 G 4.0095 8.6077 103.8271 44.5494 0.0000 174.1249 100 A 4.3250 8.6345 121.7845 54.5867 19.4768 178.7883 101 E 4.2641 7.9885 114.2947 55.8542 29.0234 176.8127 102 A 4.2707 8.1936 120.1857 53.2784 19.2986 177.8926 103 R 5.2932 9.4082 120.6236 54.7795 35.5746 174.2749 104 I 4.9807 8.9885 121.4426 59.8404 40.3884 174.2650 105 N 5.4171 9.4068 125.8678 51.9018 40.5800 174.4040 106 T 5.2787 9.5369 113.5185 60.1026 73.2132 172.5766 107 Q 5.1961 9.0256 120.6272 53.8671 32.2987 174.9437 108 W 5.4155 8.4045 118.5761 54.7969 32.3469 173.7632 109 L 5.1966 8.8229 121.1651 53.0070 44.3576 175.1181 110 L 4.8616 9.2899 127.1211 53.8771 43.9422 174.9660 111 T 5.0410 9.0047 123.9352 61.9802 71.0382 173.8347 112 S 5.1219 8.6016 122.5874 56.8789 64.8555 174.3794 113 G 3.8976 8.9482 111.8048 46.4858 0.0000 173.1328 114 T 4.7978 8.3349 113.9053 59.4226 72.2523 173.3160 115 T 4.1555 8.0120 111.8179 60.8386 70.2470 175.2191 116 E 3.9013 8.8447 122.0483 59.4760 29.3169 178.4791 117 A 4.1099 8.0732 119.1654 55.0394 18.8088 178.2776 118 N 4.5502 7.9144 111.9413 53.3121 39.1578 176.8672 119 A 4.1180 8.0160 125.2284 54.2356 18.1633 179.7612 120 W 4.3631 8.2711 114.1856 58.4445 28.1725 176.7133 121 K 4.1517 6.5475 118.3258 56.1682 32.4970 177.2507 122 S 4.2712 7.7424 115.0917 60.5097 63.7423 173.2031 123 T 5.1309 7.5611 117.6381 61.7909 70.7244 173.6342 124 L 4.7600 8.8530 126.7880 53.6444 44.0158 176.0618 125 V 4.4302 7.6883 119.4955 60.4241 34.8617 174.7127 126 G 3.0277 6.8019 107.6375 45.9226 0.0000 171.4024 127 H 5.3101 8.0066 113.8789 54.1276 31.6453 172.6939 128 D 5.2564 9.3783 119.6636 53.0433 45.6423 174.4860 129 T 5.1993 9.0892 117.8062 61.8991 72.1321 172.8629 130 F 5.4897 9.4892 124.9654 56.1600 41.8747 174.6915 131 T 5.2354 9.4979 120.0970 61.7151 71.3565 173.3131 132 K 3.6855 8.2075 126.3006 55.3409 33.2024 176.7170 133 V 4.0012 7.8283 126.0294 62.9684 31.1923 175.1106 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 13 A 8.12 4.40 1.36 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 0.00 0.00 14 E 7.10 2.79 0.00 2.17 1.85 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 2.40 2.60 0.00 15 A 8.30 3.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.25 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 0.00 0.00 0.00 17 I 7.25 3.80 1.33 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.51 0.00 0.00 18 T 8.09 3.90 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 1.14 0.00 0.00 19 G 7.29 3.70 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 0.00 0.00 0.00 20 T 7.44 4.85 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 0.85 0.00 0.00 21 W 8.86 5.40 0.00 3.31 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 22 Y 9.16 5.52 0.00 3.01 2.89 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 23 N 9.16 5.54 0.00 2.41 1.64 0.00 0.00 6.63 6.33 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 24 Q 8.67 4.15 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.47 4.36 0.00 1.82 1.79 0.99 1.18 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 26 G 8.29 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 0.00 0.00 0.00 27 S 8.17 4.73 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 28 T 8.71 5.19 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 1.13 0.00 0.00 29 F 8.88 5.05 0.00 2.60 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 30 I 8.73 4.67 1.74 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 1.14 0.65 0.79 0.00 0.00 31 V 8.22 4.61 0.67 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 0.01 0.00 0.00 0.47 0.00 0.00 32 T 8.71 4.67 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 1.14 0.00 0.00 33 A 8.71 4.56 0.64 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 0.00 0.00 34 G 9.62 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 35 A 8.74 4.18 1.31 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 0.00 0.00 0.00 36 D 8.03 4.46 0.00 2.78 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 37 G 8.45 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 0.00 0.00 0.00 38 A 7.96 4.72 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 39 L 8.90 5.20 0.00 1.96 1.53 0.62 0.71 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 40 T 9.24 5.00 4.21 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 1.21 0.00 0.00 41 G 6.99 3.60 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 0.00 0.00 0.00 42 T 7.64 5.21 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 1.18 0.00 0.00 43 Y 9.21 5.23 0.00 3.09 2.90 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 44 E 8.98 5.37 0.00 1.93 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 2.32 2.28 0.00 45 S 9.28 5.10 0.00 4.35 4.10 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 46 A 9.02 4.29 1.36 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 0.00 0.00 47 V 7.45 4.27 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 0.62 0.00 0.00 0.85 0.00 0.00 48 G 8.36 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 4.38 0.00 2.67 2.72 0.00 0.00 6.62 7.96 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 50 A 8.03 4.43 1.11 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 51 E 10.00 4.50 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 2.15 2.17 0.00 52 S 8.83 4.09 0.00 3.82 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 53 R 8.08 4.88 0.00 1.86 1.77 0.00 3.24 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 54 Y 9.22 4.85 0.00 2.95 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 55 V 8.59 4.36 2.11 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 9.07 5.18 0.00 1.99 1.77 0.85 0.70 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 57 T 8.41 4.94 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 1.25 0.00 0.00 58 G 8.41 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 0.00 0.00 0.00 0.00 59 R 8.54 5.61 0.00 1.78 1.80 0.00 3.30 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 60 Y 8.53 5.23 0.00 2.96 2.89 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 61 D 8.86 4.51 0.00 2.88 2.67 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 0.00 0.00 0.00 62 S 8.26 4.37 0.00 3.89 3.33 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 63 A 7.94 4.68 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 64 P 0.00 4.87 0.00 2.15 2.09 0.00 3.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 65 A 8.98 4.00 1.19 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 *68 G 9.17 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 69 S 7.91 4.54 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.32 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 71 T 8.90 4.82 4.57 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 1.45 0.00 0.00 72 A 8.72 4.87 1.31 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 0.00 0.00 0.00 73 L 8.96 5.02 0.00 2.07 1.93 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.23 4.66 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 0.00 0.00 0.00 75 W 8.53 5.74 0.00 3.55 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.41 5.27 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 1.17 0.00 0.00 77 V 8.64 4.27 1.75 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 -0.54 0.00 0.00 0.80 0.00 0.00 78 A 8.28 4.50 1.17 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 79 W 8.42 4.18 0.00 3.38 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 80 K 7.80 5.15 0.00 1.85 1.71 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.57 7.81 81 N 9.05 5.14 0.00 2.85 2.69 0.00 0.00 6.58 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 82 N 8.60 4.25 0.00 1.83 2.39 0.00 0.00 6.64 7.46 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 83 Y 7.48 4.54 0.00 3.26 3.16 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 0.00 84 R 8.74 4.78 0.00 2.03 2.06 0.00 3.40 0.00 0.00 3.56 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 85 N 8.47 5.17 0.00 2.65 2.61 0.00 0.00 6.91 7.96 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 86 A 9.48 4.26 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 87 H 8.38 4.16 0.00 3.38 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.22 5.13 0.00 3.97 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 89 A 8.86 5.02 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 90 T 8.79 5.02 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 -0.40 0.00 0.00 91 T 8.49 4.91 4.15 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 1.14 0.00 0.00 92 W 8.45 4.90 0.00 1.78 1.88 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 93 S 9.08 4.96 0.00 3.78 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 94 G 8.40 4.58 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 0.00 0.00 0.00 95 Q 8.41 5.32 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.37 4.87 0.00 3.07 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 97 V 8.49 4.23 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 0.95 0.00 0.00 0.93 0.00 0.00 98 G 8.06 3.64 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 0.00 0.00 0.00 99 G 8.61 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 0.00 0.00 0.00 100 A 8.63 4.32 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 0.00 101 E 7.99 4.26 0.00 1.99 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 2.26 0.00 102 A 8.19 4.27 1.36 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 0.00 0.00 103 R 9.41 5.29 0.00 1.74 1.90 0.00 3.36 0.00 0.00 3.65 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 104 I 8.99 4.98 1.85 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.13 1.07 0.00 0.00 105 N 9.41 5.42 0.00 2.69 2.81 0.00 0.00 6.06 6.74 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 0.00 106 T 9.54 5.28 4.46 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 0.00 0.00 0.00 1.39 0.00 0.00 107 Q 9.03 5.20 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 108 W 8.40 5.42 0.00 2.61 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 0.00 0.00 0.00 0.00 109 L 8.82 5.20 0.00 1.51 1.55 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.29 4.86 0.00 1.55 1.73 0.95 0.32 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 0.00 111 T 9.00 5.04 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 0.00 112 S 8.60 5.12 0.00 3.72 3.75 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 0.00 113 G 8.95 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 0.00 114 T 8.33 4.80 4.18 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 1.18 0.00 0.00 115 T 8.01 4.16 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 0.00 116 E 8.84 3.90 0.00 2.07 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 2.41 2.41 0.00 117 A 8.07 4.11 1.36 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 0.00 0.00 118 N 7.91 4.55 0.00 2.63 2.69 0.00 0.00 6.89 9.17 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 0.00 119 A 8.02 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.27 4.36 0.00 3.63 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 0.00 121 K 6.55 4.15 0.00 1.30 0.74 0.00 1.20 0.00 0.00 0.99 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 0.82 7.81 122 S 7.74 4.27 0.00 4.16 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 0.00 123 T 7.56 5.13 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 1.19 0.00 0.00 124 L 8.85 4.76 0.00 1.81 1.77 0.96 0.51 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 0.00 125 V 7.69 4.43 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 0.55 0.00 0.00 0.71 0.00 0.00 126 G 6.80 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 0.00 0.00 0.00 127 H 8.01 5.31 0.00 3.13 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.38 5.26 0.00 3.15 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.09 5.20 4.29 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 1.38 0.00 0.00 130 F 9.49 5.49 0.00 3.11 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 0.00 131 T 9.50 5.24 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 132 K 8.21 3.69 0.00 0.79 1.13 0.00 1.25 0.00 0.00 1.29 0.00 0.00 2.56 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.68 0.21 7.81 133 V 7.83 4.00 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 0.89 0.00 0.00 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.