NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4145 8.3349 116.7950 58.7589 64.6309 174.8315 0 M 3.7865 7.3385 120.7846 56.9184 32.5185 175.0755 1 S 4.2697 8.5253 115.9766 58.2691 65.4498 173.5602 2 K 4.7188 8.4688 123.9097 55.5460 33.7963 175.6214 3 T 5.4182 8.4981 112.7171 60.0600 72.5400 172.7416 4 I 4.4420 8.4149 122.0452 59.2341 41.1386 173.9340 5 V 4.6497 8.4544 129.2997 61.2974 33.0523 174.4660 6 L 4.4723 8.7956 129.0089 53.6360 43.4512 176.0679 7 S 4.8485 8.6687 120.7277 57.3062 63.6018 174.4182 8 V 3.9978 8.3762 126.7810 61.6173 32.1918 178.5704 9 G 3.9196 8.9443 121.4357 46.5959 0.0000 172.3871 10 E 4.5722 9.3509 117.4909 55.4279 30.9291 173.8326 11 A 4.6227 8.0461 120.2443 50.5601 20.3820 176.9789 12 T 5.0048 8.2150 110.3418 59.8868 71.6505 173.6309 13 R 4.5985 8.9908 123.1444 54.8516 33.0880 174.5482 14 T 4.8123 8.5183 121.0515 62.2028 70.7763 173.5592 15 L 4.9806 8.7984 126.8356 53.4582 44.2099 175.4783 16 T 5.0707 8.6797 120.8248 61.3506 71.1545 173.2222 17 E 3.4574 9.1065 128.3084 56.7265 29.5835 176.3650 18 I 4.2621 8.0695 120.6734 61.0306 38.8523 175.4638 19 Q 4.4134 7.4111 122.4020 55.6889 32.2728 173.2401 20 S 5.2599 8.3630 119.3959 57.9952 63.2262 173.3208 21 T 4.4342 8.1707 113.9898 59.4685 71.4601 175.2627 22 A 4.0934 8.5204 123.1029 55.7308 17.9592 178.7192 23 D 4.5532 7.8639 115.8628 55.9341 41.9666 175.9103 24 R 5.2467 7.7522 114.3728 54.5645 33.3239 173.7239 25 Q 5.0444 8.9240 118.9624 54.4334 31.8967 174.7620 26 I 5.1632 8.3364 122.4209 59.6400 40.8390 174.5222 27 F 5.3701 9.7749 125.2737 55.8603 42.6498 174.0742 28 E 5.0815 8.9570 121.9997 54.7592 33.5132 173.6547 29 E 4.5076 8.8911 128.5414 55.0627 29.8157 177.7629 30 K 4.3744 8.2828 131.1311 54.8963 30.8714 176.5236 31 V 4.3626 7.0937 118.0137 62.0785 35.5188 176.3919 32 G 3.8005 8.7116 113.4202 44.0941 0.0000 170.9494 33 P 4.5484 0.0000 0.0000 62.2172 32.2892 176.4938 34 L 4.1344 8.3490 119.1084 57.4595 41.8103 178.7617 35 V 3.7444 7.6089 117.2364 62.4144 32.0912 175.8412 36 G 3.8646 8.7511 109.7826 46.5586 0.0000 173.8723 37 R 4.1311 7.8113 117.5826 55.0824 31.0142 176.3034 38 L 4.2902 8.3764 123.5663 55.4019 43.5266 175.5452 39 R 5.0533 8.7919 125.3008 54.5478 33.5680 173.1902 40 L 5.1201 9.1468 129.0764 53.8618 44.1759 174.8875 41 T 5.2608 8.9891 123.3557 61.9186 71.2820 173.5540 42 A 5.3568 8.9533 126.4968 50.4018 22.7477 175.1332 43 S 5.1353 9.1975 115.2261 56.8604 67.2573 172.6033 44 L 5.3798 8.1584 121.9320 53.4995 44.9612 175.5261 45 R 4.8375 8.9229 120.6168 55.0257 33.5720 173.2891 46 Q 4.7894 8.4270 120.2246 53.9288 32.0027 174.0669 47 N 4.4948 8.3231 120.8453 52.9650 40.0308 176.2917 48 G 3.5911 8.7950 110.7371 48.7154 0.0000 175.2697 49 A 3.9992 7.9093 121.3389 52.4901 18.5264 177.2501 50 K 3.7302 7.2765 114.2992 57.9368 30.0960 176.0805 51 T 4.5317 7.5351 107.0863 61.7040 70.8537 173.5520 52 A 4.8973 7.3318 122.3362 51.4191 22.6524 174.9821 53 Y 4.8383 9.0341 119.4515 56.6185 41.1587 175.1489 54 R 4.8417 9.2123 122.0901 54.7804 32.9020 174.1071 55 V 4.6665 8.7529 127.7621 61.9157 33.3224 174.3214 56 N 5.6150 9.1966 124.9569 51.4992 41.8331 173.4660 57 L 5.3091 8.8105 122.4196 52.9469 46.1861 175.6493 58 K 4.8934 9.1210 123.2594 55.0045 36.1201 174.2919 59 L 5.0282 9.0548 130.0093 53.6377 44.3887 174.4687 60 D 5.3390 9.1118 127.4383 52.7352 43.2264 175.2901 61 Q 4.6666 9.4100 125.7165 54.1971 31.1544 174.2988 62 A 4.6650 8.5918 128.5504 51.3575 20.4313 175.6567 63 D 4.5018 8.9218 121.4344 52.6628 42.5761 175.3869 64 V 4.9097 8.2901 125.7991 60.9529 34.2812 175.3352 65 V 4.1378 8.0864 125.9032 60.9834 33.2684 171.3081 67 S 3.9962 8.8852 126.7017 58.7522 61.9210 167.5702 68 G 3.6415 8.2168 119.1111 46.2341 0.0000 172.0626 *75 L 4.5002 8.2266 117.7873 53.3428 43.7424 174.4111 76 P 4.6777 0.0000 0.0000 62.2084 31.7054 175.5804 77 K 4.5178 8.4306 125.3401 54.2807 35.7006 174.9251 78 V 4.2278 8.5751 128.1355 62.8325 31.2198 175.5580 79 R 4.3479 8.5736 125.8255 57.9703 30.5054 175.7483 80 Y 5.0918 7.0193 114.6840 56.0210 41.4388 173.7064 81 T 5.1488 8.6041 109.4173 60.1414 71.9647 173.0564 82 Q 4.9156 9.4426 123.1098 54.2335 32.4780 174.6875 83 V 5.0108 8.3642 120.7833 60.9879 35.3135 174.4867 84 W 5.0090 9.2655 135.0000 55.8545 33.1816 173.8899 85 S 5.5227 8.9798 121.7445 57.0323 65.2414 173.0770 86 H 5.1366 9.5808 118.4923 54.3177 32.4196 173.0059 87 D 4.7109 8.6908 120.3399 53.1721 43.5257 174.1559 88 V 4.3576 8.9791 127.5198 61.4879 33.6709 174.4969 89 T 4.8864 8.6211 125.0890 62.4882 69.5747 174.0895 90 I 4.5252 8.4982 128.3096 59.3579 40.1270 175.2021 91 V 4.2512 8.4103 127.1126 61.9780 32.3401 176.7726 92 A 4.1782 9.1249 132.0846 55.1952 18.4166 177.8837 93 N 4.7766 8.0495 110.7877 52.7664 37.5201 175.1304 94 S 4.4516 7.6354 114.0860 58.2642 63.9072 174.1185 95 T 4.3539 7.7363 111.0525 60.9267 71.0180 175.4423 96 E 3.9082 8.6553 122.4324 59.2781 29.6404 178.9006 97 A 4.0134 8.0228 120.7151 55.2321 18.4855 179.4764 98 S 4.0884 8.0489 112.6912 61.8207 62.9507 177.0682 99 R 3.9574 7.7925 121.3552 58.6736 29.8778 178.7653 100 K 3.9904 8.5671 119.9224 59.5737 32.0763 178.7030 101 S 4.0903 8.4519 113.6911 61.2972 62.2978 175.8581 102 L 3.9398 7.9290 122.9935 58.2392 41.7506 178.1615 103 Y 4.0078 8.0888 119.3296 61.0184 38.9251 177.8010 104 D 4.1598 8.7304 119.9428 57.4607 40.8519 179.0226 105 L 4.0291 8.2212 119.6672 57.8544 41.5285 179.6694 106 T 3.8307 8.0040 115.9434 66.3539 68.3504 176.5125 107 K 3.6291 7.8666 121.9074 59.4970 31.8287 178.7614 108 S 3.9773 7.5776 111.7581 61.1862 62.5902 175.3164 109 L 4.0887 7.9611 123.1769 58.3586 41.5923 179.1973 110 V 3.6639 7.8684 116.9478 65.8892 31.5349 176.8971 111 A 4.1886 7.6794 120.5554 53.7555 18.8138 178.3651 112 T 4.1285 7.5109 108.0363 61.4525 70.8472 175.7821 113 S 4.2681 8.6125 117.9833 61.1141 63.1850 176.7112 114 Q 3.9581 8.0359 121.9706 59.0341 28.5382 178.6287 115 V 3.5912 7.6815 118.7337 65.8822 31.4984 177.4146 116 E 3.9927 8.1492 118.9488 59.6474 29.3410 178.4260 117 D 4.3219 8.2131 117.8151 56.7710 41.3468 177.8779 118 L 4.1689 8.0268 122.5611 57.5474 41.8600 179.2012 119 V 3.5307 7.6353 116.6501 65.8105 31.6731 177.8340 120 V 3.8586 7.9936 117.0477 64.8045 31.5807 176.1403 121 N 4.8429 7.9750 112.3940 51.8998 39.7722 174.1689 122 L 3.6184 7.5898 116.5506 55.6330 39.6596 174.8060 123 V 4.0300 7.5242 118.9673 60.6336 31.4615 173.4604 124 P 4.3082 0.0000 0.0000 62.2811 31.8115 176.5704 125 L 4.0593 8.0657 120.4624 55.1541 42.2137 177.5637 126 G 4.0615 9.6879 109.5746 46.1732 0.0000 174.4464 127 R 4.1925 8.3269 122.7871 56.3588 31.0330 175.2748 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 S 8.33 4.41 0.00 3.87 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 M 7.34 3.79 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 1 S 8.53 4.27 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.47 4.72 0.00 1.86 1.88 0.00 1.62 0.00 0.00 1.95 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.44 7.81 3 T 8.50 5.42 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 1.26 0.00 0.00 4 I 8.41 4.44 1.47 0.00 0.00 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 0.96 1.54 0.48 0.00 0.00 5 V 8.45 4.65 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 0.85 0.00 0.00 0.93 0.00 0.00 6 L 8.80 4.47 0.00 1.59 1.52 0.86 0.81 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 7 S 8.67 4.85 0.00 3.73 3.82 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 8 V 8.38 4.00 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 0.95 0.00 0.00 0.91 0.00 0.00 9 G 8.94 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 10 E 9.35 4.57 0.00 1.86 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 2.17 2.32 0.00 11 A 8.05 4.62 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 12 T 8.21 5.00 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 13 R 8.99 4.60 0.00 1.67 1.84 0.00 3.27 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 14 T 8.52 4.81 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 1.24 0.00 0.00 15 L 8.80 4.98 0.00 1.63 1.72 0.87 0.51 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 16 T 8.68 5.07 4.26 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 1.22 0.00 0.00 17 E 9.11 3.46 0.00 1.34 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.48 0.00 18 I 8.07 4.26 1.83 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 1.16 0.72 0.95 0.00 0.00 19 Q 7.41 4.41 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 20 S 8.36 5.26 0.00 3.96 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 21 T 8.17 4.43 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 1.23 0.00 0.00 22 A 8.52 4.09 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 23 D 7.86 4.55 0.00 2.82 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 24 R 7.75 5.25 0.00 1.85 2.02 0.00 2.75 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 25 Q 8.92 5.04 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 26 I 8.34 5.16 1.84 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 1.26 1.06 0.94 0.00 0.00 27 F 9.77 5.37 0.00 2.99 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 28 E 8.96 5.08 0.00 2.05 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 0.00 2.22 2.45 0.00 29 E 8.89 4.51 0.00 2.04 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 0.00 2.33 2.27 0.00 30 K 8.28 4.37 0.00 1.79 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.58 7.81 31 V 7.09 4.36 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 0.94 0.00 0.00 32 G 8.71 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 0.00 0.00 0.00 0.00 33 P 0.00 4.55 0.00 2.18 2.07 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 34 L 8.35 4.13 0.00 1.64 1.77 0.92 0.91 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 35 V 7.61 3.74 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 0.69 0.00 0.00 0.92 0.00 0.00 36 G 8.75 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 37 R 7.81 4.13 0.00 1.82 2.01 0.00 3.36 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 38 L 8.38 4.29 0.00 1.78 1.55 0.99 0.75 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 39 R 8.79 5.05 0.00 1.95 1.74 0.00 3.14 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 40 L 9.15 5.12 0.00 1.77 1.56 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.99 5.26 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 1.31 0.00 0.00 42 A 8.95 5.36 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 43 S 9.20 5.14 0.00 3.88 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 44 L 8.16 5.38 0.00 1.55 1.57 0.96 0.82 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 45 R 8.92 4.84 0.00 1.93 1.99 0.00 2.79 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 46 Q 8.43 4.79 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.09 0.00 0.00 0.00 0.00 0.00 1.88 1.51 0.00 47 N 8.32 4.49 0.00 3.01 2.72 0.00 0.00 7.50 8.07 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 48 G 8.80 3.59 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 0.00 49 A 7.91 4.00 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 50 K 7.28 3.73 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.47 7.81 51 T 7.54 4.53 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 1.18 0.00 0.00 52 A 7.33 4.90 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 53 Y 9.03 4.84 0.00 2.94 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 54 R 9.21 4.84 0.00 1.87 1.81 0.00 3.17 0.00 0.00 3.12 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 55 V 8.75 4.67 2.13 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 1.01 0.00 0.00 0.97 0.00 0.00 56 N 9.20 5.61 0.00 2.76 2.71 0.00 0.00 6.42 6.89 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 57 L 8.81 5.31 0.00 1.63 1.54 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 58 K 9.12 4.89 0.00 1.85 1.65 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.46 7.81 59 L 9.05 5.03 0.00 1.82 1.58 0.90 0.92 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 60 D 9.11 5.34 0.00 2.65 2.60 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 61 Q 9.41 4.67 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 62 A 8.59 4.66 1.18 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 0.00 0.00 63 D 8.92 4.50 0.00 1.58 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 0.00 0.00 0.00 0.00 64 V 8.29 4.91 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 0.87 0.00 0.00 0.87 0.00 0.00 65 V 8.09 4.14 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 0.75 0.00 0.00 0.93 0.00 0.00 67 S 8.89 4.00 0.00 4.02 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 68 G 8.22 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 *75 L 8.23 4.50 0.00 1.61 1.63 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.68 0.00 2.10 2.05 0.00 3.36 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 77 K 8.43 4.52 0.00 1.79 1.63 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.41 7.81 78 V 8.58 4.23 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 0.85 0.00 0.00 0.90 0.00 0.00 79 R 8.57 4.35 0.00 2.05 2.05 0.00 3.21 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 80 Y 7.02 5.09 0.00 3.04 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 81 T 8.60 5.15 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 1.22 0.00 0.00 82 Q 9.44 4.92 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 83 V 8.36 5.01 2.13 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 0.91 0.00 0.00 1.04 0.00 0.00 84 W 9.27 5.01 0.00 3.47 2.79 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 85 S 8.98 5.52 0.00 4.06 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 86 H 9.58 5.14 0.00 3.07 3.28 0.00 5.57 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 87 D 8.69 4.71 0.00 2.67 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 88 V 8.98 4.36 2.14 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 1.05 0.00 0.00 1.00 0.00 0.00 89 T 8.62 4.89 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 1.24 0.00 0.00 90 I 8.50 4.53 2.00 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 1.16 0.89 0.99 0.00 0.00 91 V 8.41 4.25 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 1.00 0.00 0.00 0.95 0.00 0.00 92 A 9.12 4.18 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 93 N 8.05 4.78 0.00 2.84 2.93 0.00 0.00 6.04 7.64 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 94 S 7.64 4.45 0.00 4.05 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 95 T 7.74 4.35 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 96 E 8.66 3.91 0.00 2.05 1.98 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 2.37 2.36 0.00 97 A 8.02 4.01 1.33 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 0.00 0.00 98 S 8.05 4.09 0.00 4.10 4.16 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 99 R 7.79 3.96 0.00 2.06 2.03 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 100 K 8.57 3.99 0.00 1.90 2.09 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.55 7.81 101 S 8.45 4.09 0.00 4.01 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 0.00 102 L 7.93 3.94 0.00 1.98 1.88 0.95 0.92 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 0.00 103 Y 8.09 4.01 0.00 3.16 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 0.00 104 D 8.73 4.16 0.00 2.90 2.69 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 0.00 105 L 8.22 4.03 0.00 1.83 1.69 0.96 0.94 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 0.00 106 T 8.00 3.83 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 1.22 0.00 0.00 107 K 7.87 3.63 0.00 1.21 1.67 0.00 1.49 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.29 7.81 108 S 7.58 3.98 0.00 3.99 3.98 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 0.00 109 L 7.96 4.09 0.00 1.91 1.91 0.94 0.89 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 0.00 110 V 7.87 3.66 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 0.64 0.00 0.00 1.05 0.00 0.00 111 A 7.68 4.19 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.13 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 1.28 0.00 0.00 113 S 8.61 4.27 0.00 4.08 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 0.00 114 Q 8.04 3.96 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 115 V 7.68 3.59 2.36 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 1.20 0.00 0.00 1.02 0.00 0.00 116 E 8.15 3.99 0.00 2.16 2.15 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 2.35 2.39 0.00 117 D 8.21 4.32 0.00 3.07 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 0.00 118 L 8.03 4.17 0.00 1.94 1.89 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.64 3.53 2.14 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 0.86 0.00 0.00 0.67 0.00 0.00 120 V 7.99 3.86 2.16 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 0.91 0.00 0.00 1.02 0.00 0.00 121 N 7.98 4.84 0.00 2.96 2.78 0.00 0.00 7.06 8.20 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 0.00 122 L 7.59 3.62 0.00 1.79 1.72 0.88 0.80 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 0.00 123 V 7.52 4.03 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 1.01 0.00 0.00 0.92 0.00 0.00 124 P 0.00 4.31 0.00 2.06 1.95 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 125 L 8.07 4.06 0.00 1.62 1.72 0.92 1.02 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 0.00 126 G 9.69 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 0.00 127 R 8.33 4.19 0.00 1.75 1.77 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.