NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.1632 7.8976 120.4224 62.7496 32.9803 176.2398 8 E 3.7175 8.5636 123.4851 57.8924 30.0755 174.3551 9 S 4.1983 8.2612 114.9605 56.6998 64.7788 174.9763 10 F 4.5444 7.6730 126.2290 57.8952 39.7202 176.2476 11 D 4.7324 8.8338 122.5470 53.5961 40.0837 173.9691 12 L 4.5468 8.1856 124.1733 54.4043 43.7067 175.4923 13 D 4.6788 9.0380 126.6265 53.4207 40.5303 176.5492 14 H 4.4515 8.9247 124.6903 57.9050 28.9181 176.5707 15 T 4.3580 8.2539 108.6136 61.9462 69.1369 175.3595 16 K 4.3715 7.6857 120.2849 56.9282 33.4618 177.0322 17 V 3.9722 7.5620 111.5889 60.7450 32.2656 176.0216 18 K 4.5795 8.8838 120.0455 54.4585 33.2545 176.4237 19 A 4.5474 9.4723 126.4134 51.0418 19.7070 175.1445 20 P 4.7996 0.0000 0.0000 62.8867 33.7211 174.4034 21 Y 5.1829 7.9898 118.4401 56.7071 42.1284 172.8204 22 V 5.0902 8.9257 118.9458 61.2408 34.7289 174.2855 23 R 5.0728 8.9465 126.6787 54.5304 33.9471 173.5232 24 L 4.3339 9.3549 129.1591 55.3925 42.2132 176.4093 25 A 4.2900 9.2138 129.0285 52.0560 20.2435 176.7675 26 G 3.9205 6.6597 103.3306 45.8071 0.0000 171.8986 27 V 4.8678 8.0031 119.3653 60.9852 34.7711 173.9683 28 K 4.6236 9.0957 129.0556 54.9072 34.8734 174.6529 29 T 4.9157 8.4930 123.9746 62.7078 69.8377 174.9332 30 T 4.3906 8.9029 116.7731 59.7492 70.3970 173.9438 31 P 4.2067 0.0000 0.0000 65.6149 31.2946 177.8551 32 K 4.1372 7.8921 114.6859 56.7332 32.3571 177.4424 33 G 3.9985 8.1311 107.3358 44.9217 0.0000 173.4341 34 D 4.8184 7.8550 120.0781 53.7980 42.9677 174.9929 35 Q 5.0959 8.4699 116.6510 54.3976 33.2769 174.7612 36 I 4.8080 8.7288 123.0847 59.8092 40.0602 174.6959 37 S 4.9860 9.0310 123.8095 56.7925 65.3475 173.3643 38 K 4.4191 8.3904 123.0357 54.6920 34.3810 174.8812 39 Y 5.0273 7.8588 120.2701 56.1836 42.6046 174.1151 40 D 4.7674 9.3871 123.3827 53.1656 42.4366 175.1828 41 L 4.3537 8.2626 127.8835 53.2318 42.0561 174.4100 42 R 4.2696 8.3000 124.3893 55.9551 30.5278 176.3423 43 F 4.3570 9.2782 125.4053 59.5159 39.8357 176.0812 44 L 4.9363 7.9887 116.4229 52.3278 44.7349 176.5214 45 Q 4.0642 8.6072 122.6806 55.2983 29.5634 173.8588 46 P 4.2403 0.0000 0.0000 64.5970 31.6655 175.5484 47 N 4.3189 9.0125 119.3382 54.8146 35.8079 174.5471 48 Q 4.5381 8.8911 113.6223 54.4505 30.0415 174.7843 49 G 4.3545 7.2079 103.0636 43.3307 0.0000 172.6179 50 A 4.8280 7.7130 121.4165 49.7976 22.7287 175.6865 51 I 3.9691 8.5158 120.9368 60.5356 38.0388 176.0660 52 D 4.3685 8.8120 126.1480 54.1609 41.8920 175.3199 53 P 4.1982 0.0000 0.0000 65.8393 31.3349 178.9092 54 A 4.2005 8.4336 120.1918 54.5114 18.3260 179.5620 55 A 3.9767 8.0537 118.9126 55.3021 18.5526 179.4815 56 I 3.6736 7.9719 117.0673 63.9137 38.0259 177.6581 57 H 4.2379 8.1810 119.5774 59.5944 29.6323 177.4364 58 T 3.9608 8.0265 117.5877 66.5032 68.2320 176.7536 59 L 4.0523 8.0623 121.0856 57.6279 41.5923 179.1782 60 E 3.9492 8.2851 119.2374 59.6468 29.2655 178.4797 61 H 4.0932 8.2327 116.1174 58.9350 28.7047 177.8757 62 L 3.7041 8.1548 120.6613 57.9063 41.3403 179.6856 63 L 4.1901 8.3649 117.5772 57.4029 41.5769 178.9230 64 A 4.2574 8.0314 120.6713 54.9993 18.6094 179.6541 65 G 3.6093 7.4917 103.6232 47.8056 0.0000 177.8108 66 Y 5.0699 7.7974 120.2333 57.7355 37.7259 178.5150 *68 R 4.5637 8.0313 120.2832 56.3408 32.2163 176.9933 69 D 4.4837 7.9081 116.3279 56.4741 40.8723 176.6351 70 H 4.9127 7.7074 112.0591 55.2196 30.1761 173.7755 71 L 4.6457 7.5341 120.6720 53.4121 44.9377 175.1926 72 E 4.2955 8.7337 125.1010 56.7250 30.7838 176.4619 73 G 3.8778 8.7355 107.2627 46.0870 0.0000 173.4375 74 V 3.8943 7.7036 119.5528 62.6607 31.9288 175.9081 75 V 3.9919 8.7532 127.5827 64.8163 32.1384 175.4764 76 D 4.4916 7.3792 114.4318 53.1741 43.6153 174.5657 77 V 4.6195 8.4022 124.2408 61.5014 33.7632 174.5160 78 S 4.9246 9.2622 123.6752 55.3576 66.9101 174.4219 79 P 4.6412 0.0000 0.0000 62.8518 32.3806 178.4256 *81 G 3.9481 8.8591 104.7166 45.3688 0.0000 172.9088 82 C 4.2225 7.9525 112.9788 58.5076 30.3417 174.0749 83 R 3.9716 7.9420 118.9094 57.7130 27.2830 176.9637 84 T 4.5363 7.1127 104.9312 60.7536 70.3803 173.8975 85 G 4.3066 7.0821 112.8438 46.5667 0.0000 173.2350 *87 Y 4.7593 8.0008 127.7925 57.1613 40.7329 172.3961 *89 A 4.4242 8.1460 120.5693 51.7567 20.2535 175.9282 90 V 4.8636 8.8406 121.4978 61.0071 35.4888 174.5030 91 I 4.2451 9.1920 129.2615 60.3098 37.3804 175.3812 92 G 4.4013 8.3270 115.0384 43.1455 0.0000 172.3748 93 E 4.3112 8.0901 120.4714 55.1756 30.1182 175.5795 94 P 4.4084 0.0000 0.0000 62.8362 32.3923 177.3265 95 D 4.8554 9.4364 121.4389 52.9679 42.1962 175.1897 96 E 4.0227 8.4397 121.9484 59.5943 30.4100 179.0700 97 Q 4.1053 8.2846 118.3843 59.0918 29.5986 177.4181 98 G 3.7253 8.6495 107.2141 48.6334 0.0000 176.1165 99 V 3.4503 7.8436 119.5968 62.7130 30.9780 177.9257 *101 K 4.2473 8.2397 119.2787 55.9371 34.1188 178.2696 102 A 3.9912 8.0702 120.5731 55.0848 18.1395 179.4676 103 F 4.3652 8.7218 119.6897 61.3371 39.4311 176.9467 104 E 3.5752 8.1324 118.2533 59.1403 29.5111 178.4689 105 A 3.7879 7.9575 120.4880 55.1508 18.4037 179.5227 106 A 3.9965 8.2224 119.4470 55.2115 18.3764 179.8986 107 L 3.8935 7.9429 117.9399 57.6767 41.6671 179.8115 108 K 3.9269 7.9059 118.6756 59.3751 31.7091 179.1227 109 D 4.0323 7.5535 118.3813 57.4126 40.8593 178.7207 110 T 4.1877 7.7623 116.0037 66.6540 68.2897 176.6935 111 A 4.3199 8.2788 122.0843 54.5494 18.4040 178.8935 112 G 4.1805 7.5189 101.2768 44.2063 0.0000 174.3156 113 H 4.5173 7.9639 121.0243 55.7821 29.6713 173.8374 114 D 4.8083 8.2012 125.5346 52.8995 39.7197 176.3765 115 Q 4.4855 7.3114 118.5708 53.6727 30.7594 173.3663 116 P 4.4219 0.0000 0.0000 62.5819 31.8166 176.6936 117 I 3.8475 8.1051 121.7849 60.5572 37.4123 174.8090 118 P 4.2722 0.0000 0.0000 63.6530 31.7276 176.1721 119 G 3.8164 8.6099 108.0535 45.5135 0.0000 174.0388 120 V 4.0783 7.4250 119.9922 61.5668 31.0775 174.7858 121 S 4.2181 7.7810 119.9395 57.2454 64.8707 176.8702 122 E 4.0493 8.0556 121.6752 58.9889 29.5453 177.9607 123 L 4.2020 7.7793 117.7915 56.6032 42.1756 177.2302 124 E 4.5534 8.1701 115.8331 56.1321 30.7179 175.0320 125 C 4.9900 8.1311 118.6795 57.3521 34.5258 174.0835 126 G 3.8259 8.8392 114.0863 47.4002 0.0000 173.7402 127 N 4.9318 7.6933 117.6518 52.8960 39.6876 174.3681 128 Y 4.4240 7.8679 117.4058 59.2562 38.7806 178.0551 129 R 4.0975 7.2863 117.9783 57.0886 30.9758 176.3832 130 D 4.7789 7.8520 119.8034 52.6719 39.8681 174.1707 131 H 5.0882 7.6193 117.5533 54.2272 33.4755 173.9682 132 D 4.5764 8.8372 120.1533 52.2992 42.5497 175.5367 133 L 3.9547 8.5062 126.6785 57.5949 42.3768 177.7626 134 A 3.9896 8.1335 119.9732 55.4018 18.3328 179.3653 135 A 3.9448 8.7087 119.1800 55.0835 18.4251 179.7365 136 A 4.0436 8.1158 119.3496 55.4802 18.5366 180.0350 137 R 3.9275 8.3667 116.9858 59.5930 30.0900 179.1759 138 Q 4.0258 8.2323 119.2846 59.3438 29.1150 177.8802 139 H 4.2531 8.4204 117.3325 58.6809 28.7182 177.6214 140 A 3.9962 8.2091 122.7821 55.1082 18.1399 179.6784 141 R 3.8129 8.0400 117.2855 59.5647 30.0716 178.5093 142 D 4.3149 8.3548 118.9560 57.2619 40.7979 178.9274 143 V 3.4651 7.5822 118.2247 65.9804 31.2838 178.0922 144 L 3.9089 7.4645 117.4383 57.7803 41.4719 178.9567 145 D 4.4701 8.0513 118.1336 57.5563 40.8564 178.6031 146 Q 4.1546 8.0061 117.6443 56.0378 28.9439 177.0928 147 G 3.8362 8.1694 108.7623 45.8040 0.0000 173.1830 148 L 4.5974 8.0558 123.9359 54.6328 43.1619 175.9747 149 K 4.5955 8.1253 117.1642 56.0064 36.4418 174.7753 150 V 4.5545 8.3038 121.7800 62.2316 32.1568 174.8720 151 Q 4.2673 8.7093 130.4309 55.0568 29.5944 175.4529 152 E 4.1864 8.5599 125.6410 56.2598 30.5131 176.1257 153 T 4.2293 8.1681 118.4436 63.1473 69.5460 174.2689 154 I 4.2949 8.2081 127.8378 59.5749 38.7992 175.2199 155 L 5.3397 8.2898 127.2531 53.4123 42.7518 177.4453 156 L 4.1631 8.3894 120.6208 55.2325 41.6154 177.1386 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 7 V 7.90 4.16 2.59 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 1.12 0.00 0.00 1.07 0.00 0.00 8 E 8.56 3.72 0.00 2.22 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 2.34 2.31 0.00 9 S 8.26 4.20 0.00 3.77 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 10 F 7.67 4.54 0.00 3.04 2.83 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 11 D 8.83 4.73 0.00 2.74 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 12 L 8.19 4.55 0.00 1.71 1.60 0.95 1.21 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 13 D 9.04 4.68 0.00 2.73 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 14 H 8.92 4.45 0.00 3.17 3.43 0.00 5.94 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 15 T 8.25 4.36 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 16 K 7.69 4.37 0.00 1.78 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.66 1.55 7.81 17 V 7.56 3.97 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 0.61 0.00 0.00 1.17 0.00 0.00 18 K 8.88 4.58 0.00 1.74 1.78 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.51 7.81 19 A 9.47 4.55 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 20 P 0.00 4.80 0.00 2.06 2.27 0.00 3.77 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 21 Y 7.99 5.18 0.00 3.24 3.15 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 22 V 8.93 5.09 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 1.05 0.00 0.00 1.05 0.00 0.00 23 R 8.95 5.07 0.00 1.91 1.97 0.00 3.16 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 24 L 9.35 4.33 0.00 1.82 1.72 0.51 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 A 9.21 4.29 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 26 G 6.66 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 27 V 8.00 4.87 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 0.73 0.00 0.00 0.92 0.00 0.00 28 K 9.10 4.62 0.00 1.79 1.59 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.36 7.81 29 T 8.49 4.92 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 30 T 8.90 4.39 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 31 P 0.00 4.21 0.00 2.06 2.17 0.00 3.67 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 2.03 2.12 0.00 32 K 7.89 4.14 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.38 7.81 33 G 8.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.86 4.82 0.00 2.60 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 35 Q 8.47 5.10 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 36 I 8.73 4.81 1.86 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 1.23 1.14 0.97 0.00 0.00 37 S 9.03 4.99 0.00 3.79 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 38 K 8.39 4.42 0.00 1.39 1.38 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.24 7.81 39 Y 7.86 5.03 0.00 2.69 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 40 D 9.39 4.77 0.00 2.78 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 41 L 8.26 4.35 0.00 1.40 0.58 0.45 0.31 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 42 R 8.30 4.27 0.00 0.67 0.70 0.00 3.40 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.50 0.00 43 F 9.28 4.36 0.00 2.97 3.13 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 44 L 7.99 4.94 0.00 1.53 1.60 1.01 1.29 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 45 Q 8.61 4.06 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 46 P 0.00 4.24 0.00 2.34 2.16 0.00 3.98 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 47 N 9.01 4.32 0.00 2.90 2.94 0.00 0.00 6.90 7.69 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 48 Q 8.89 4.54 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 49 G 7.21 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 0.00 0.00 0.00 0.00 50 A 7.71 4.83 1.16 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 0.00 0.00 51 I 8.52 3.97 1.76 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.49 0.73 0.00 0.00 52 D 8.81 4.37 0.00 2.81 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 53 P 0.00 4.20 0.00 2.16 2.06 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 54 A 8.43 4.20 1.41 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 0.00 0.00 0.00 55 A 8.05 3.98 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 56 I 7.97 3.67 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.09 0.91 0.00 0.00 57 H 8.18 4.24 0.00 3.31 3.40 0.00 5.66 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 58 T 8.03 3.96 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 1.23 0.00 0.00 59 L 8.06 4.05 0.00 1.84 1.74 0.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.29 3.95 0.00 2.20 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 0.00 2.35 2.39 0.00 61 H 8.23 4.09 0.00 3.40 3.31 0.00 5.69 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 62 L 8.15 3.70 0.00 1.78 1.86 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.36 4.19 0.00 1.79 1.90 1.29 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.03 4.26 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 65 G 7.49 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 66 Y 7.80 5.07 0.00 3.19 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 *68 R 8.03 4.56 0.00 1.98 2.05 0.00 3.28 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.86 0.00 69 D 7.91 4.48 0.00 2.81 2.59 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 70 H 7.71 4.91 0.00 3.21 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.53 4.65 0.00 1.54 1.49 0.88 0.85 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 72 E 8.73 4.30 0.00 2.01 1.87 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 2.29 2.31 0.00 73 G 8.74 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 74 V 7.70 3.89 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 0.81 0.00 0.00 0.97 0.00 0.00 75 V 8.75 3.99 2.24 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 0.83 0.00 0.00 0.95 0.00 0.00 76 D 7.38 4.49 0.00 2.66 2.59 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 77 V 8.40 4.62 2.12 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 0.93 0.00 0.00 0.96 0.00 0.00 78 S 9.26 4.92 0.00 3.80 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 79 P 0.00 4.64 0.00 2.04 1.72 0.00 3.81 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 1.97 1.96 0.00 *81 G 8.86 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 82 C 7.95 4.22 0.00 3.13 3.19 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 83 R 7.94 3.97 0.00 2.01 2.11 0.00 3.04 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 84 T 7.11 4.54 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 1.35 0.00 0.00 85 G 7.08 4.31 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 0.00 *87 Y 8.00 4.76 0.00 3.10 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 *89 A 8.15 4.42 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 90 V 8.84 4.86 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 1.16 0.00 0.00 1.01 0.00 0.00 91 I 9.19 4.25 1.89 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 1.18 0.78 0.93 0.00 0.00 92 G 8.33 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 0.00 0.00 0.00 0.00 93 E 8.09 4.31 0.00 1.99 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 2.33 2.59 0.00 94 P 0.00 4.41 0.00 2.09 2.04 0.00 3.77 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 95 D 9.44 4.86 0.00 2.73 2.53 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 0.00 96 E 8.44 4.02 0.00 2.08 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 0.00 2.61 2.54 0.00 97 Q 8.28 4.11 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 98 G 8.65 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 0.00 0.00 0.00 99 V 7.84 3.45 1.59 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 0.39 0.00 0.00 0.26 0.00 0.00 *101 K 8.24 4.25 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.65 1.38 7.81 102 A 8.07 3.99 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 0.00 103 F 8.72 4.37 0.00 2.99 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 0.00 104 E 8.13 3.58 0.00 1.97 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 0.00 2.26 2.23 0.00 105 A 7.96 3.79 0.99 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 0.00 106 A 8.22 4.00 1.56 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 0.00 0.00 107 L 7.94 3.89 0.00 1.50 1.45 -0.35 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.91 3.93 0.00 1.84 1.74 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.53 7.81 109 D 7.55 4.03 0.00 1.74 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 0.00 110 T 7.76 4.19 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 1.35 0.00 0.00 111 A 8.28 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 0.00 112 G 7.52 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 0.00 0.00 0.00 113 H 7.96 4.52 0.00 3.55 3.48 0.00 5.92 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.20 4.81 0.00 2.78 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 0.00 115 Q 7.31 4.49 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 116 P 0.00 4.42 0.00 2.05 2.00 0.00 3.68 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 2.03 2.12 0.00 117 I 8.11 3.85 1.75 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 1.39 0.46 0.78 0.00 0.00 118 P 0.00 4.27 0.00 1.98 1.94 0.00 3.73 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 1.88 2.07 0.00 119 G 8.61 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 0.00 0.00 0.00 120 V 7.42 4.08 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 0.90 0.00 0.00 0.69 0.00 0.00 121 S 7.78 4.22 0.00 3.79 3.79 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 0.00 122 E 8.06 4.05 0.00 1.52 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 2.29 2.43 0.00 123 L 7.78 4.20 0.00 1.63 1.68 0.89 0.84 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 0.00 124 E 8.17 4.55 0.00 2.23 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 2.19 0.00 125 C 8.13 4.99 0.00 3.26 3.10 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 0.00 126 G 8.84 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 0.00 0.00 0.00 127 N 7.69 4.93 0.00 2.65 2.63 0.00 0.00 6.95 7.56 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 0.00 128 Y 7.87 4.42 0.00 3.11 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 0.00 129 R 7.29 4.10 0.00 1.57 1.86 0.00 2.95 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.00 130 D 7.85 4.78 0.00 2.69 2.62 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 0.00 0.00 0.00 131 H 7.62 5.09 0.00 3.11 3.09 0.00 5.79 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 0.00 132 D 8.84 4.58 0.00 2.62 2.52 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 0.00 133 L 8.51 3.95 0.00 1.82 1.68 0.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.13 3.99 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 0.00 135 A 8.71 3.94 1.41 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 0.00 0.00 0.00 136 A 8.12 4.04 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.37 3.93 0.00 2.03 2.03 0.00 3.37 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 138 Q 8.23 4.03 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 139 H 8.42 4.25 0.00 3.54 3.63 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.21 4.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 8.04 3.81 0.00 2.05 2.07 0.00 3.09 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 142 D 8.35 4.31 0.00 2.93 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 0.00 143 V 7.58 3.47 1.84 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 0.67 0.00 0.00 0.55 0.00 0.00 144 L 7.46 3.91 0.00 1.73 1.62 0.86 0.93 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 0.00 145 D 8.05 4.47 0.00 2.77 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 0.00 146 Q 8.01 4.15 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.30 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 147 G 8.17 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 0.00 0.00 0.00 148 L 8.06 4.60 0.00 1.52 1.65 0.71 0.92 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 0.00 149 K 8.13 4.60 0.00 1.86 1.89 0.00 1.36 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.46 7.81 150 V 8.30 4.55 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 0.98 0.00 0.00 151 Q 8.71 4.27 0.00 1.44 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.71 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 152 E 8.56 4.19 0.00 1.91 1.79 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 2.27 2.34 0.00 153 T 8.17 4.23 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 1.25 0.00 0.00 154 I 8.21 4.29 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.96 0.90 0.00 0.00 155 L 8.29 5.34 0.00 1.51 1.59 0.86 1.17 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 0.00 156 L 8.39 4.16 0.00 1.66 1.60 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.