NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.4836 0.0000 0.0000 61.9786 34.1052 174.8952 12 L 4.8994 7.5732 122.5521 52.7358 44.4540 173.6365 13 M 4.9326 9.2398 125.5817 53.7317 36.7360 173.2816 14 V 4.8694 8.4217 123.7998 60.8999 35.0336 174.0528 15 K 4.9573 9.0693 128.2976 54.5892 35.4705 174.7928 16 V 4.7969 8.9010 126.7466 61.0981 34.7537 174.0735 17 L 5.1033 8.9074 127.2045 52.9380 45.6150 174.9976 18 D 5.1648 8.9717 122.0431 52.6965 42.2368 176.6727 19 A 4.2490 9.3136 129.1777 54.2251 18.5207 178.8642 20 V 3.8377 8.5688 114.8197 65.6249 31.9113 177.1692 21 R 4.2294 8.7489 116.4718 55.8290 31.0097 176.1145 22 G 3.8598 8.3134 105.6644 45.6422 0.0000 172.3892 23 S 4.8143 7.3298 111.9143 55.8478 67.1988 173.1937 24 P 4.6669 0.0000 0.0000 63.3404 31.8056 175.8343 25 A 4.3254 8.7025 124.5549 51.1221 19.4837 176.3392 26 I 4.2979 8.4183 122.7189 61.2645 39.0152 175.7248 27 N 4.2230 8.6467 121.4789 54.3471 36.6213 174.4021 28 V 4.0137 7.8413 118.6655 62.1872 32.9419 174.9973 29 A 4.5956 8.6018 129.9276 51.9034 19.9833 176.1002 30 V 4.8446 8.8365 121.5478 61.3608 35.1489 173.9155 31 H 5.1735 9.3228 124.4854 53.8783 32.1254 172.7103 32 V 4.9050 8.8184 122.7857 61.2142 34.1147 174.3826 33 F 5.5493 9.4630 125.0805 55.7680 43.5567 173.6445 34 R 4.7061 9.1761 121.0135 54.1797 33.0799 174.5150 35 K 3.8958 8.6281 127.9668 55.8669 32.7752 176.8128 36 A 4.2116 8.8978 130.7791 50.8914 19.5180 177.9126 37 A 3.9010 8.3635 122.2294 55.0934 18.4162 178.2829 38 D 4.5637 7.8874 113.2551 53.3115 39.5150 176.8939 39 D 4.2480 7.8672 117.6147 54.9935 39.2338 174.1398 40 T 4.1728 7.6698 110.3743 60.7982 70.9900 173.6316 41 W 5.0762 8.4289 122.3061 55.6068 30.3769 175.5904 42 E 4.7886 9.2638 125.5513 54.0894 30.9242 174.1263 43 P 4.4326 0.0000 0.0000 63.6368 31.5700 175.0336 44 F 4.8140 8.7036 124.3899 59.3012 41.5975 174.5263 45 A 4.4979 7.7166 117.1784 51.7533 22.3098 174.5597 46 S 4.6093 7.6887 112.6966 57.7902 65.9878 173.9116 47 G 3.9628 7.6092 105.1946 46.4025 0.0000 171.9981 48 K 5.3434 8.5038 118.0562 54.2459 35.8096 176.9312 49 T 4.2512 8.6058 114.1269 61.9076 70.2072 174.8983 50 S 4.8713 8.8868 118.9199 57.4785 64.7623 174.5814 51 E 3.9481 8.6607 118.9080 58.9922 29.1537 178.0113 52 S 4.4370 7.9599 112.0974 57.7333 63.4432 174.9616 53 G 3.9442 8.4842 109.6004 45.3584 0.0000 172.8206 54 E 5.1416 7.7352 118.2106 54.1835 33.3225 174.9259 55 L 4.9078 8.7417 123.6637 54.0335 44.9802 175.2322 56 H 4.7944 8.9156 122.8673 54.4292 31.8427 174.6011 57 G 3.8808 8.7069 105.0216 46.5544 0.0000 175.0905 58 L 4.0150 7.9262 121.6120 57.4026 41.7755 176.5049 59 T 4.5774 7.2647 109.8258 61.3529 69.7563 170.5888 60 T 4.3329 7.7241 107.8547 62.8463 71.5388 175.1166 *63 E 4.3266 7.8887 125.1816 55.0729 32.1634 176.7554 64 F 4.8312 8.0921 122.5157 57.0554 37.7477 174.6899 65 V 3.9913 7.3557 116.5973 60.0358 33.0021 176.3572 66 E 4.1527 8.0206 120.0597 55.3679 29.8166 177.4376 67 G 3.8568 7.7130 110.0143 45.3647 0.0000 170.4831 68 I 4.6874 7.0714 119.7870 59.8753 39.0694 174.9935 69 Y 5.1117 8.5148 124.1655 55.8776 41.7521 174.4550 70 K 4.9306 9.0866 123.1513 54.6054 35.3570 174.7421 71 V 4.7621 9.1306 127.9638 61.2824 33.7104 173.6285 72 E 4.9424 9.6406 130.0661 54.6992 31.6568 174.3130 73 I 4.5537 8.7751 128.5974 59.5699 39.2420 175.6506 74 D 4.9758 8.9879 129.6671 53.5027 38.0620 176.4995 75 T 3.8390 7.7369 114.8263 64.1607 69.3473 176.5370 76 K 4.1387 8.1251 122.0266 59.5805 32.3371 178.7738 77 S 4.1482 8.5034 115.4036 61.5682 62.1872 176.1089 78 Y 3.9159 7.7173 122.0402 60.6163 38.6149 178.2516 79 W 4.3540 8.1034 119.8028 59.6215 29.1223 178.6104 80 K 4.0063 8.6092 118.6832 59.5626 31.3294 179.1310 81 A 4.0908 7.9797 119.3540 54.0652 18.3410 178.5264 82 L 4.3888 7.1874 114.4868 53.5839 42.3413 176.5426 83 G 3.9200 8.0192 106.9794 46.8580 0.0000 173.7763 84 I 4.5245 7.8122 119.5751 58.7119 39.8720 176.0319 85 S 4.2453 8.8504 121.9514 58.1622 62.8644 172.1371 86 P 4.8017 0.0000 0.0000 61.2027 33.4742 175.2677 87 F 3.8728 8.2811 121.0813 60.5041 39.5733 176.0925 88 H 4.4687 7.8057 115.5971 54.8247 29.6807 175.4515 89 E 4.0571 8.6467 122.0269 59.6646 29.5152 176.4512 90 H 4.8019 7.6091 110.2092 55.7996 31.3378 173.0168 91 A 4.4499 8.4179 120.9196 50.1894 20.7086 175.5858 92 E 5.0555 8.8502 122.1217 54.6046 32.1936 175.7658 93 V 4.4827 8.8555 123.3293 61.1670 34.5886 174.1685 94 V 5.1759 8.6343 127.7615 61.1522 33.8137 174.3004 95 F 5.1269 8.9678 121.3021 56.3600 41.8095 172.7918 96 T 4.9550 8.6847 116.1640 62.1025 69.5385 174.4410 97 A 4.4283 9.0077 129.0260 51.6912 19.3191 177.6311 98 N 4.6271 9.1812 118.2748 54.1568 41.6459 174.6224 *104 R 4.3200 7.7438 117.8255 56.3636 31.7942 173.6861 105 Y 4.7343 9.3535 124.6787 56.6349 40.3777 174.7142 106 T 4.8831 8.9180 122.1414 61.8290 71.3001 173.6407 107 I 4.4903 8.7937 128.3258 59.9308 38.5553 174.6919 108 A 5.1311 8.9220 129.9465 50.6563 21.1467 175.6328 109 A 5.1274 8.8937 121.3862 50.1694 23.4696 174.9106 110 L 5.0342 9.1039 123.0655 53.2952 45.0048 175.0089 111 L 5.4041 8.9816 126.5711 53.2743 44.2487 175.9436 112 S 5.2392 9.4030 119.1319 55.9443 66.7873 173.5939 113 P 3.1394 0.0000 0.0000 64.9801 31.1193 177.8406 114 Y 4.6236 7.6918 112.2703 57.1262 38.8474 174.9180 115 S 4.6854 8.0050 113.8449 57.4820 65.7104 172.7621 116 Y 5.5916 7.8162 123.2792 55.7192 41.0948 173.8479 117 S 4.9881 9.1485 114.4227 56.9384 66.6997 172.7322 118 T 5.1702 8.4503 114.5270 60.9094 70.4251 172.9752 119 T 4.7492 8.9457 123.8714 61.7045 72.7324 172.5596 120 A 4.7939 8.6345 127.5701 50.6983 20.4873 176.5148 121 V 4.0641 8.7491 124.2202 61.4252 33.2441 174.7478 122 V 4.6728 8.2191 128.8162 61.1106 33.2623 175.3283 123 T 4.2452 8.4900 118.0051 61.8758 68.4517 173.7873 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 11 P 0.00 4.48 0.00 2.21 2.44 0.00 3.65 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 1.58 2.04 0.00 12 L 7.57 4.90 0.00 0.80 1.08 0.86 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.24 4.93 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 14 V 8.42 4.87 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 0.91 0.00 0.00 0.89 0.00 0.00 15 K 9.07 4.96 0.00 1.75 1.54 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.30 7.81 16 V 8.90 4.80 1.89 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 0.75 0.00 0.00 0.80 0.00 0.00 17 L 8.91 5.10 0.00 1.59 1.52 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.97 5.16 0.00 2.65 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 19 A 9.31 4.25 1.45 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 0.00 0.00 20 V 8.57 3.84 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 0.97 0.00 0.00 0.99 0.00 0.00 21 R 8.75 4.23 0.00 1.94 2.03 0.00 3.39 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 22 G 8.31 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 23 S 7.33 4.81 0.00 3.89 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 24 P 0.00 4.67 0.00 2.10 2.18 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 25 A 8.70 4.33 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.42 4.30 1.92 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 1.60 0.80 0.97 0.00 0.00 27 N 8.65 4.22 0.00 2.91 2.93 0.00 0.00 6.92 7.20 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 28 V 7.84 4.01 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 0.83 0.00 0.00 0.52 0.00 0.00 29 A 8.60 4.60 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 30 V 8.84 4.84 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 0.98 0.00 0.00 0.92 0.00 0.00 31 H 9.32 5.17 0.00 3.16 2.68 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.82 4.91 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 1.29 0.00 0.00 0.97 0.00 0.00 33 F 9.46 5.55 0.00 3.06 3.27 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 34 R 9.18 4.71 0.00 1.48 1.68 0.00 2.84 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 35 K 8.63 3.90 0.00 0.86 1.22 0.00 1.10 0.00 0.00 1.30 0.00 0.00 2.65 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.87 0.21 7.81 36 A 8.90 4.21 1.21 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 0.00 0.00 0.00 37 A 8.36 3.90 1.23 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 0.00 0.00 0.00 38 D 7.89 4.56 0.00 2.71 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 39 D 7.87 4.25 0.00 2.75 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 40 T 7.67 4.17 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 1.22 0.00 0.00 41 W 8.43 5.08 0.00 3.00 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 42 E 9.26 4.79 0.00 2.16 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 2.32 2.29 0.00 43 P 0.00 4.43 0.00 1.99 2.01 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 44 F 8.70 4.81 0.00 3.07 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 45 A 7.72 4.50 1.14 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 0.00 0.00 46 S 7.69 4.61 0.00 3.61 3.58 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 47 G 7.61 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 48 K 8.50 5.34 0.00 1.57 1.64 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.36 7.81 49 T 8.61 4.25 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 1.16 0.00 0.00 50 S 8.89 4.87 0.00 3.98 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 51 E 8.66 3.95 0.00 1.97 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 2.31 2.29 0.00 52 S 7.96 4.44 0.00 4.00 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 53 G 8.48 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 54 E 7.74 5.14 0.00 1.94 1.76 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 2.25 2.44 0.00 55 L 8.74 4.91 0.00 1.63 1.40 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.92 4.79 0.00 2.99 3.18 0.00 6.03 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.71 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 58 L 7.93 4.01 0.00 1.57 1.73 0.86 0.76 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 59 T 7.26 4.58 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 0.94 0.00 0.00 60 T 7.72 4.33 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 1.20 0.00 0.00 *63 E 7.89 4.33 0.00 2.04 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 0.00 2.54 2.41 0.00 64 F 8.09 4.83 0.00 3.06 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 65 V 7.36 3.99 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 0.82 0.00 0.00 0.97 0.00 0.00 66 E 8.02 4.15 0.00 1.92 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 2.44 2.25 0.00 67 G 7.71 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 68 I 7.07 4.69 1.68 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 1.30 0.52 1.10 0.00 0.00 69 Y 8.51 5.11 0.00 1.82 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 70 K 9.09 4.93 0.00 0.79 0.94 0.00 0.74 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 0.97 7.81 71 V 9.13 4.76 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 0.99 0.00 0.00 1.17 0.00 0.00 72 E 9.64 4.94 0.00 2.11 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 0.00 2.15 2.02 0.00 73 I 8.78 4.55 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.46 0.77 0.00 0.00 74 D 8.99 4.98 0.00 2.74 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 75 T 7.74 3.84 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 1.11 0.00 0.00 76 K 8.13 4.14 0.00 2.20 1.93 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.60 7.81 77 S 8.50 4.15 0.00 4.10 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 78 Y 7.72 3.92 0.00 2.85 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 79 W 8.10 4.35 0.00 3.56 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 80 K 8.61 4.01 0.00 2.03 1.90 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.66 7.81 81 A 7.98 4.09 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 82 L 7.19 4.39 0.00 1.82 1.74 0.53 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.02 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 0.00 0.00 0.00 84 I 7.81 4.52 2.17 0.00 0.00 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 1.37 1.00 0.78 0.00 0.00 85 S 8.85 4.25 0.00 3.93 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 86 P 0.00 4.80 0.00 2.28 2.23 0.00 3.82 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 87 F 8.28 3.87 0.00 1.51 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 88 H 7.81 4.47 0.00 3.28 3.43 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.65 4.06 0.00 1.80 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 2.19 2.18 0.00 90 H 7.61 4.80 0.00 3.23 3.23 0.00 5.10 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.42 4.45 0.29 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 92 E 8.85 5.06 0.00 1.89 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 2.11 2.34 0.00 93 V 8.86 4.48 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 1.04 0.00 0.00 0.98 0.00 0.00 94 V 8.63 5.18 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 1.11 0.00 0.00 0.83 0.00 0.00 95 F 8.97 5.13 0.00 3.24 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 96 T 8.68 4.96 4.35 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 1.29 0.00 0.00 97 A 9.01 4.43 0.63 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 0.00 0.00 98 N 9.18 4.63 0.00 2.78 2.91 0.00 0.00 7.11 7.06 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 *104 R 7.74 4.32 0.00 1.98 1.98 0.00 3.19 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 105 Y 9.35 4.73 0.00 2.92 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 0.00 106 T 8.92 4.88 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 1.16 0.00 0.00 107 I 8.79 4.49 1.84 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.03 0.90 0.00 0.00 108 A 8.92 5.13 1.20 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 0.00 0.00 0.00 109 A 8.89 5.13 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 0.00 110 L 9.10 5.03 0.00 1.77 1.57 0.98 0.90 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 0.00 111 L 8.98 5.40 0.00 1.79 2.00 0.52 0.49 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 0.00 112 S 9.40 5.24 0.00 3.95 3.73 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 0.00 0.00 0.00 0.00 113 P 0.00 3.14 0.00 2.02 1.77 0.00 3.27 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.44 0.00 114 Y 7.69 4.62 0.00 2.80 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 0.00 115 S 8.00 4.69 0.00 3.79 3.69 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 0.00 116 Y 7.82 5.59 0.00 3.08 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 0.00 117 S 9.15 4.99 0.00 3.92 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 0.00 118 T 8.45 5.17 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 1.33 0.00 0.00 119 T 8.95 4.75 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 0.00 120 A 8.63 4.79 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 0.00 121 V 8.75 4.06 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 0.92 0.00 0.00 0.89 0.00 0.00 122 V 8.22 4.67 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 0.34 0.00 0.00 0.54 0.00 0.00 123 T 8.49 4.25 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.