NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9626 8.3393 108.0186 46.4157 0.0000 173.4095 0 H 4.7485 8.6580 121.3198 53.7662 30.5753 170.8024 2 Y 4.6977 9.2218 125.7207 56.4759 43.1993 174.6553 3 V 4.7185 8.3784 126.2374 61.2880 35.2914 174.0077 4 T 4.9646 8.7867 124.2365 61.8471 71.4618 172.9671 5 I 4.4844 8.8970 128.4455 60.0012 38.9734 174.8207 6 V 4.6685 8.5909 128.3637 61.4138 33.7147 173.8284 7 Y 5.1216 9.3440 126.0841 56.3457 40.1263 174.4524 8 A 5.0763 9.4414 126.6833 50.2305 22.0586 174.7245 9 S 5.0697 8.8567 119.1180 57.1386 64.2305 173.8379 10 V 4.4821 8.5577 125.7939 60.5992 33.3082 175.9396 11 K 4.1242 9.0645 126.5705 56.7952 32.6872 178.2933 12 T 3.8642 8.6263 119.0493 66.7151 68.4618 174.8916 13 D 4.7387 7.9629 117.7113 53.3046 39.6515 177.1436 14 K 4.1355 7.8744 117.7240 56.3045 32.8645 177.8520 15 T 3.9787 7.7469 112.1196 65.0567 68.7384 176.2043 16 E 3.9829 8.1093 120.8708 58.9770 29.5051 179.0263 17 A 3.9212 7.6754 120.3968 54.8380 18.3594 179.2467 18 F 4.3454 8.4019 119.6694 61.3855 39.4111 177.1902 19 K 3.7933 8.1951 119.2646 59.4600 31.7537 178.3961 20 E 3.8993 7.9988 118.1134 59.2866 29.7187 178.1717 21 A 4.2355 8.2049 119.8945 55.7183 18.7335 179.4796 22 T 4.1696 8.0792 114.1622 66.2202 68.3294 177.1772 23 R 3.9552 7.9460 118.0554 57.3442 30.0986 177.3567 *25 N 4.5154 8.0419 116.5337 53.5115 40.8831 175.6116 26 H 3.8985 8.7660 117.4733 59.5886 29.6283 176.9919 27 E 3.8865 8.1602 118.8593 59.3679 29.6373 179.0158 28 Q 3.9958 7.6820 117.5238 58.6288 29.0100 178.4219 29 S 4.4498 7.9575 117.9776 60.5379 62.4586 176.3031 30 I 4.2900 7.1838 115.6950 62.3958 37.4403 177.4991 31 R 4.2265 7.3123 118.2156 56.0325 30.7378 176.5350 32 E 4.0830 7.4055 119.7752 55.3354 30.0298 174.7018 33 P 4.2509 0.0000 0.0000 64.5582 31.9033 176.7807 34 G 3.9901 9.0521 111.1222 45.1642 0.0000 172.6730 35 N 4.1947 7.9761 118.6009 53.0714 39.8386 173.5415 *37 R 4.3248 8.0641 118.8601 55.5532 31.8939 175.5536 38 F 4.7615 8.0278 121.7133 57.2830 38.4350 174.3322 39 D 4.6786 8.5651 120.5256 54.5497 42.5473 177.2627 40 I 4.9786 8.3493 122.8538 59.6159 39.5087 174.9424 41 L 4.9773 9.3533 126.7723 52.8500 45.8283 175.1823 42 Q 4.5786 8.4933 122.6317 53.7763 31.3149 175.0500 43 S 4.1716 8.6626 121.9756 58.6654 62.3316 174.3369 44 A 4.1488 8.6724 129.4834 54.9112 18.6844 178.5018 45 D 4.3961 8.0044 115.1415 56.9667 41.3109 176.2095 46 D 4.4205 8.0628 119.6115 52.3324 43.0030 173.7202 47 P 4.2350 0.0000 0.0000 64.6651 31.7400 176.9177 48 T 4.4280 8.4570 109.6333 62.5085 70.2378 174.1952 49 R 5.1490 7.9584 123.0336 54.7085 32.5819 175.2378 50 F 5.2959 9.5010 121.7380 55.6536 43.8020 173.9749 51 V 4.9368 9.0101 120.2677 61.2200 34.9184 174.1153 52 L 4.9090 8.7977 127.6111 53.3799 43.9625 174.9225 53 Y 4.5762 8.8727 127.1540 56.1618 39.8531 173.8708 54 E 4.4115 8.5064 127.1494 54.3194 31.5587 175.0446 55 A 5.1427 8.5419 126.9247 50.2144 21.7373 174.7138 56 Y 4.8656 9.0809 118.6218 55.8902 42.2116 176.4980 57 K 4.1541 9.3666 124.1854 59.2983 33.0704 177.0396 58 T 4.8765 8.1122 107.8386 58.6142 72.1646 174.4756 59 R 2.9113 8.6096 121.8068 59.2119 29.9328 178.5578 60 K 3.7322 7.7828 118.7844 59.5264 32.0426 178.2545 61 D 4.2322 7.6912 117.5663 57.2489 40.9168 178.2308 62 A 2.7494 7.3468 120.5679 54.7996 17.7659 179.4767 63 A 3.7135 7.7940 119.0505 55.2295 18.3923 179.7117 64 A 3.8685 7.6795 118.8882 55.3920 18.4916 179.1616 65 H 4.0262 7.6505 116.9781 59.3288 29.6581 176.9030 66 K 3.3028 7.2568 116.6134 57.0492 32.1049 177.2223 67 E 4.4815 7.6787 118.2248 56.3609 30.3640 176.8278 68 T 4.2465 7.5498 110.6902 60.8252 71.2257 175.4086 69 A 4.0072 8.5164 125.0822 55.7136 18.4597 179.9285 70 H 4.2008 8.0878 113.2101 58.8231 28.6990 177.0170 71 Y 4.1116 7.6354 122.1972 60.5742 38.6882 178.1292 72 L 3.7653 7.8934 119.7767 58.0185 41.6416 179.7951 73 T 3.8091 8.0491 115.6707 66.1571 68.3969 176.5333 74 W 3.9622 8.2530 130.3073 60.4035 30.5003 177.7506 75 R 3.4375 8.2298 118.8997 59.5817 29.2158 178.1295 76 D 4.2290 7.5883 116.9347 57.5270 40.8293 178.7033 77 T 3.5532 7.4086 115.1845 66.3269 68.7151 176.5999 78 V 2.6010 6.8096 111.9423 61.1324 31.5056 177.9160 79 A 3.7501 6.5470 120.8836 55.4590 18.0812 178.6415 80 D 4.5731 7.5878 111.2666 55.2843 41.4509 177.5538 81 W 4.6655 7.9726 121.9736 55.0655 27.6289 176.2091 *83 A 4.5818 7.9524 124.2738 51.5810 20.2675 176.5660 84 E 4.7235 7.8241 110.7886 54.2734 32.1400 173.1033 85 P 4.2635 0.0000 0.0000 63.2607 31.7955 176.8270 86 R 4.4520 8.5686 121.3316 56.3149 31.2801 175.7589 87 K 4.6480 9.0624 122.9366 54.6829 35.0425 174.8080 88 G 4.5212 8.9395 114.5111 44.5892 0.0000 172.6328 89 V 4.5464 8.9012 124.8461 61.0709 34.0634 174.2774 90 I 4.6590 8.1901 128.5508 60.4753 38.5783 174.6941 91 Y 4.6424 8.9767 123.1601 56.1552 42.5340 174.3003 92 G 4.2694 8.7214 108.6283 44.6458 0.0000 173.6211 93 G 4.0087 8.5461 113.7230 44.2355 0.0000 173.6466 94 L 3.8279 8.4809 126.4563 56.9834 41.9663 177.5162 95 Y 4.9112 7.2673 113.7637 55.1438 41.7128 173.3379 96 P 4.5833 0.0000 0.0000 62.7494 32.2793 176.4183 97 T 4.1679 8.4753 109.2464 62.1450 68.9015 174.3487 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 G 8.34 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 0 H 8.66 4.75 0.00 3.20 3.29 0.00 5.55 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 9.22 4.70 0.00 3.14 2.84 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 3 V 8.38 4.72 1.96 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 0.25 0.00 0.00 0.78 0.00 0.00 4 T 8.79 4.96 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 1.24 0.00 0.00 5 I 8.90 4.48 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.77 0.43 0.00 0.00 6 V 8.59 4.67 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 1.24 0.00 0.00 0.93 0.00 0.00 7 Y 9.34 5.12 0.00 3.00 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 8 A 9.44 5.08 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 9 S 8.86 5.07 0.00 3.79 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 10 V 8.56 4.48 2.26 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 0.73 0.00 0.00 0.13 0.00 0.00 11 K 9.06 4.12 0.00 1.82 1.73 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.56 7.81 12 T 8.63 3.86 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 1.21 0.00 0.00 13 D 7.96 4.74 0.00 2.71 2.71 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 14 K 7.87 4.14 0.00 1.89 1.46 0.00 1.12 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.20 0.62 7.81 15 T 7.75 3.98 4.56 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 1.43 0.00 0.00 16 E 8.11 3.98 0.00 1.99 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 2.43 2.39 0.00 17 A 7.68 3.92 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 18 F 8.40 4.35 0.00 3.23 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 19 K 8.20 3.79 0.00 1.96 2.00 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.54 7.81 20 E 8.00 3.90 0.00 2.03 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 0.00 2.36 2.42 0.00 21 A 8.20 4.24 1.40 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 0.00 0.00 0.00 22 T 8.08 4.17 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 1.16 0.00 0.00 23 R 7.95 3.96 0.00 1.97 2.12 0.00 3.24 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 *25 N 8.04 4.52 0.00 2.81 2.78 0.00 0.00 6.71 7.89 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 26 H 8.77 3.90 0.00 3.36 3.57 0.00 5.84 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 27 E 8.16 3.89 0.00 1.92 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 2.37 2.55 0.00 28 Q 7.68 4.00 0.00 1.54 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 29 S 7.96 4.45 0.00 2.72 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 30 I 7.18 4.29 1.78 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 1.60 1.50 0.81 0.00 0.00 31 R 7.31 4.23 0.00 1.92 1.97 0.00 3.11 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 32 E 7.41 4.08 0.00 2.27 2.02 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 2.41 2.54 0.00 33 P 0.00 4.25 0.00 2.06 2.04 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 34 G 9.05 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 0.00 0.00 0.00 35 N 7.98 4.19 0.00 2.61 2.58 0.00 0.00 7.10 7.17 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 *37 R 8.06 4.32 0.00 1.94 2.05 0.00 3.25 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 38 F 8.03 4.76 0.00 2.88 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 39 D 8.57 4.68 0.00 2.74 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 40 I 8.35 4.98 1.91 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 1.51 0.94 1.05 0.00 0.00 41 L 9.35 4.98 0.00 1.56 1.51 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.49 4.58 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.90 0.00 0.00 0.00 0.00 0.00 1.93 1.44 0.00 43 S 8.66 4.17 0.00 3.82 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 44 A 8.67 4.15 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 45 D 8.00 4.40 0.00 2.66 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 46 D 8.06 4.42 0.00 2.62 2.43 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 0.00 47 P 0.00 4.23 0.00 2.20 2.12 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 48 T 8.46 4.43 4.53 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 1.24 0.00 0.00 49 R 7.96 5.15 0.00 1.80 1.88 0.00 3.06 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 50 F 9.50 5.30 0.00 3.08 3.31 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 51 V 9.01 4.94 2.09 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 0.93 0.00 0.00 0.85 0.00 0.00 52 L 8.80 4.91 0.00 1.50 1.19 1.26 0.14 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 53 Y 8.87 4.58 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.51 4.41 0.00 1.82 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 1.47 1.92 0.00 55 A 8.54 5.14 0.95 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 56 Y 9.08 4.87 0.00 2.87 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 57 K 9.37 4.15 0.00 1.76 2.09 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.42 7.81 58 T 8.11 4.88 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 1.27 0.00 0.00 59 R 8.61 2.91 0.00 1.71 1.80 0.00 3.18 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.00 60 K 7.78 3.73 0.00 1.77 1.71 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 61 D 7.69 4.23 0.00 2.91 2.97 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 62 A 7.35 2.75 0.95 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 63 A 7.79 3.71 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 64 A 7.68 3.87 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 65 H 7.65 4.03 0.00 3.21 3.30 0.00 5.78 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 66 K 7.26 3.30 0.00 1.71 1.60 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.73 1.03 7.81 67 E 7.68 4.48 0.00 2.01 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 2.22 2.31 0.00 68 T 7.55 4.25 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 1.31 0.00 0.00 69 A 8.52 4.01 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 70 H 8.09 4.20 0.00 3.36 3.56 0.00 5.47 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.64 4.11 0.00 2.84 3.08 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 0.00 0.00 0.00 72 L 7.89 3.77 0.00 1.86 1.67 0.96 0.92 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 73 T 8.05 3.81 4.39 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 1.20 0.00 0.00 74 W 8.25 3.96 0.00 3.43 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 75 R 8.23 3.44 0.00 1.37 1.69 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 76 D 7.59 4.23 0.00 2.54 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 77 T 7.41 3.55 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 0.76 0.00 0.00 78 V 6.81 2.60 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 0.05 0.00 0.00 -0.26 0.00 0.00 79 A 6.55 3.75 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.59 4.57 0.00 2.64 2.81 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 81 W 7.97 4.67 0.00 3.45 2.97 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 *83 A 7.95 4.58 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 84 E 7.82 4.72 0.00 2.06 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 2.22 2.36 0.00 85 P 0.00 4.26 0.00 2.10 2.10 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 86 R 8.57 4.45 0.00 1.85 2.06 0.00 3.56 0.00 0.00 3.55 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 87 K 9.06 4.65 0.00 1.96 1.81 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.55 7.81 88 G 8.94 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.90 4.55 2.46 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 0.92 0.00 0.00 1.15 0.00 0.00 90 I 8.19 4.66 1.73 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 1.30 0.67 0.51 0.00 0.00 91 Y 8.98 4.64 0.00 2.66 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 92 G 8.72 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 0.00 0.00 0.00 0.00 93 G 8.55 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 94 L 8.48 3.83 0.00 1.35 0.90 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.27 4.91 0.00 2.99 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 96 P 0.00 4.58 0.00 2.22 2.11 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 97 T 8.48 4.17 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 1.42 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.