NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9687 8.3549 109.7394 45.6815 0.0000 172.2023 5 T 4.3620 8.3627 115.1796 60.6310 70.7903 168.5763 6 V 4.5177 8.9569 126.4443 60.6925 35.2132 174.0572 7 W 4.6804 8.8364 125.6439 54.8462 31.1493 175.2400 8 G 4.3090 8.6298 109.7655 43.6322 0.0000 171.3164 9 A 4.8286 8.0568 120.0527 49.5990 22.1441 175.7435 10 L 4.1606 8.5191 120.8176 56.5155 42.1563 178.1349 11 G 3.9996 8.8888 110.2456 45.8154 0.0000 173.3419 12 H 4.6687 7.7351 115.7445 54.5125 30.2763 174.6268 13 G 4.0350 7.9604 110.3479 44.6774 0.0000 172.5163 14 I 4.1200 7.4479 115.4372 60.3176 40.3667 172.6711 15 N 4.7530 8.6671 122.9353 51.3477 40.4076 174.5807 16 L 4.3260 8.0482 123.5693 53.3301 41.3878 175.9931 17 N 4.6436 8.5579 122.1245 52.6343 39.2181 175.4221 18 I 4.0400 8.5363 124.3965 60.1355 37.2829 174.2289 19 P 4.2864 0.0000 0.0000 64.2364 32.1600 176.8465 20 N 4.1511 8.8935 116.9688 53.4051 35.6482 173.2918 21 F 4.7787 7.3859 118.5296 56.9913 42.9719 172.7698 22 Q 4.0986 7.0838 127.0154 53.7744 31.8150 174.2256 23 M 4.0219 8.3404 124.8714 55.5592 32.8383 175.2118 24 T 4.6979 8.0620 115.0001 59.5137 71.9786 174.2198 25 D 4.6090 8.5869 120.1853 56.1157 40.8194 176.9007 26 D 4.7402 7.6577 117.4929 54.0889 41.1235 175.9139 27 I 4.4962 7.5733 121.2153 59.8552 38.9078 174.7868 28 D 4.6819 8.7933 124.6628 55.8884 42.7311 175.6095 29 E 5.6938 7.9552 116.4362 53.6746 33.2966 174.5942 30 V 4.3947 8.6500 124.9874 61.0796 34.6353 173.8244 31 R 5.0887 8.4546 127.5417 54.2745 32.9449 174.1453 32 W 4.8640 9.5329 126.0288 55.0464 31.9456 174.6047 33 E 5.1937 8.9330 122.3835 55.0261 33.9168 175.7457 34 R 4.3853 8.9758 121.7941 55.1221 31.9215 175.6663 35 G 3.9414 8.3857 117.6885 46.5445 0.0000 173.5641 36 S 4.3356 8.6825 118.0098 59.3218 63.7291 174.3765 37 T 4.1384 7.7580 119.9035 62.7592 68.9663 173.5101 38 L 4.6536 8.3538 128.5902 54.1474 42.3596 175.9848 39 V 4.0241 8.6325 126.9405 65.2811 32.1848 175.9968 40 A 4.8258 7.8868 119.8880 51.0299 22.6221 174.5142 41 E 5.2130 8.6763 120.1142 55.0947 33.0268 173.8813 42 F 5.0345 9.6820 129.3363 56.2977 42.4673 174.0128 43 K 4.2689 7.6699 126.1076 55.2364 34.2079 175.7365 44 R 4.1174 8.5363 128.1179 58.9635 30.1842 177.6735 45 K 4.1157 8.3120 118.7512 55.4511 33.7939 174.1993 *48 P 4.3261 0.0000 0.0000 62.4521 32.3204 175.8424 49 F 4.3446 8.5500 121.4958 57.9649 40.0651 174.8274 50 L 4.4524 6.8392 125.7863 52.6171 45.5987 176.2251 51 K 3.8616 8.4661 124.6868 59.1898 32.0923 176.0543 52 S 4.5381 7.6998 110.6934 57.6647 65.0881 174.2740 53 G 3.7545 8.5852 107.5590 46.8882 0.0000 174.3916 54 A 3.9619 8.0325 122.9967 53.2953 18.6547 176.6160 55 F 5.9828 7.2941 112.5872 54.4911 43.0779 174.2638 56 E 4.8662 8.3002 114.0426 55.9908 31.9136 174.5618 57 I 4.8740 8.4315 122.1752 59.3362 39.7641 175.4286 58 L 4.3162 8.9606 129.6030 53.7990 42.4470 177.6944 59 A 3.9860 8.6228 123.3570 55.3453 18.1788 178.4903 60 N 4.5236 8.0763 110.3220 53.3526 37.9337 175.9359 61 G 4.0029 8.3484 108.3415 45.1008 0.0000 173.6152 62 D 4.6075 8.4521 120.0843 53.9786 42.3803 175.0671 63 L 4.8179 8.3754 123.7246 53.9400 43.4247 175.3215 64 K 4.4674 9.3402 128.6515 54.9266 34.1655 174.8613 65 I 4.2183 8.2224 128.6756 59.6442 37.6326 175.3944 66 K 3.9822 8.8925 128.4484 58.8971 32.5438 177.5227 67 N 4.6609 7.6627 118.5664 51.5022 40.4525 173.4655 68 L 4.3184 8.3921 126.6729 54.8483 42.4955 176.8030 69 T 4.7385 8.4228 111.6397 59.2876 72.1042 174.5974 70 R 3.8569 8.7547 122.0941 59.7534 29.8845 177.4321 71 D 4.6850 8.0425 113.5561 54.3599 39.5715 176.0827 72 D 4.8613 8.2275 119.8265 54.6057 41.3183 176.7831 73 S 4.6399 7.7745 114.6683 57.7442 64.2154 174.5202 74 G 3.9734 7.7078 108.1402 44.3360 0.0000 171.5274 75 T 4.8838 7.9595 117.2627 62.6715 69.6291 174.2584 76 Y 4.6314 8.9653 124.4609 56.3017 40.4912 174.3478 77 N 5.5301 8.8858 121.5320 51.4763 40.8539 174.3137 78 V 4.5347 8.8583 124.0678 60.2658 34.1549 175.0084 79 T 4.9650 8.4367 119.6134 61.8513 72.3398 173.1490 80 V 4.4938 8.4516 126.0437 61.2269 34.2498 173.8322 81 Y 5.1721 8.5416 124.2439 56.0936 41.4133 175.9197 82 S 4.5034 8.9189 118.3016 57.6229 64.4859 174.7537 83 T 3.9864 8.4851 114.1516 64.1615 67.0142 174.0550 84 N 4.8692 8.1089 117.2153 52.4255 37.5181 174.5136 85 G 4.0181 8.0622 105.1875 47.2552 0.0000 174.1028 86 T 4.2870 7.7525 110.0990 59.9584 69.8475 174.0958 87 R 3.8495 8.5723 125.8647 56.3396 29.0590 175.6141 88 I 4.2049 7.8155 118.7266 61.3881 38.7599 175.6713 89 L 4.4693 7.3054 124.3853 54.2267 45.6650 173.9398 90 D 4.9450 8.4728 125.5543 53.7561 42.6730 173.9727 91 K 4.8490 9.2076 125.1160 54.2520 36.4562 175.0654 92 A 5.2107 8.5773 123.3524 50.1700 21.6644 175.6226 93 L 4.6109 9.0282 122.7483 52.9206 44.6569 175.9975 94 D 5.0240 8.8228 125.2178 53.5243 41.2438 176.0633 95 L 4.3500 9.1698 128.1764 54.4353 43.0546 175.4715 96 R 4.9773 8.6242 125.5268 54.4437 32.4049 175.7403 97 I 4.3725 8.2146 123.8733 59.1087 39.1917 175.0651 98 L 4.1728 8.5258 127.9085 54.7523 42.6069 176.3088 99 E 4.2938 8.7006 124.4305 56.5469 29.9237 175.7300 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 4 G 8.35 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 0.00 0.00 0.00 5 T 8.36 4.36 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 1.07 0.00 0.00 6 V 8.96 4.52 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 0.87 0.00 0.00 0.97 0.00 0.00 7 W 8.84 4.68 0.00 3.28 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 8 G 8.63 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 9 A 8.06 4.83 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 10 L 8.52 4.16 0.00 1.68 1.66 0.93 0.96 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 11 G 8.89 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 12 H 7.74 4.67 0.00 3.42 3.24 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.96 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 14 I 7.45 4.12 1.87 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 1.39 0.61 0.85 0.00 0.00 15 N 8.67 4.75 0.00 2.69 2.68 0.00 0.00 6.95 7.85 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 16 L 8.05 4.33 0.00 0.92 1.54 0.63 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.56 4.64 0.00 2.78 2.85 0.00 0.00 7.21 7.45 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 18 I 8.54 4.04 2.08 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.51 0.00 0.00 19 P 0.00 4.29 0.00 2.07 2.03 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 20 N 8.89 4.15 0.00 2.83 2.90 0.00 0.00 6.75 7.45 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 21 F 7.39 4.78 0.00 2.96 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 22 Q 7.08 4.10 0.00 1.80 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 23 M 8.34 4.02 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 24 T 8.06 4.70 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 1.11 0.00 0.00 25 D 8.59 4.61 0.00 2.68 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 26 D 7.66 4.74 0.00 2.73 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 27 I 7.57 4.50 2.20 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.63 1.16 0.00 0.00 28 D 8.79 4.68 0.00 2.81 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 29 E 7.96 5.69 0.00 1.87 1.70 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 2.16 2.21 0.00 30 V 8.65 4.39 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 0.72 0.00 0.00 1.07 0.00 0.00 31 R 8.45 5.09 0.00 1.98 1.64 0.00 3.29 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 0.00 32 W 9.53 4.86 0.00 3.37 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 33 E 8.93 5.19 0.00 1.81 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 0.00 2.22 2.30 0.00 34 R 8.98 4.39 0.00 1.77 1.77 0.00 3.17 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 35 G 8.39 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 36 S 8.68 4.34 0.00 3.98 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 37 T 7.76 4.14 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 1.21 0.00 0.00 38 L 8.35 4.65 0.00 1.58 1.59 1.08 0.96 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 39 V 8.63 4.02 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 0.73 0.00 0.00 0.96 0.00 0.00 40 A 7.89 4.83 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 41 E 8.68 5.21 0.00 1.99 1.81 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 2.20 2.44 0.00 42 F 9.68 5.03 0.00 3.20 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 43 K 7.67 4.27 0.00 1.57 1.45 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.31 7.81 44 R 8.54 4.12 0.00 1.69 1.98 0.00 3.83 0.00 0.00 3.46 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.95 0.00 45 K 8.31 4.12 0.00 1.95 1.92 0.00 1.33 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.34 7.81 *48 P 0.00 4.33 0.00 2.26 2.16 0.00 3.40 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 49 F 8.55 4.34 0.00 3.02 2.98 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 50 L 6.84 4.45 0.00 1.41 1.54 0.96 0.91 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 51 K 8.47 3.86 0.00 1.61 1.61 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.48 7.81 52 S 7.70 4.54 0.00 4.04 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 53 G 8.59 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 0.00 0.00 0.00 54 A 8.03 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.29 5.98 0.00 2.91 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 56 E 8.30 4.87 0.00 2.00 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 2.16 2.19 0.00 57 I 8.43 4.87 1.91 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 1.37 1.14 0.94 0.00 0.00 58 L 8.96 4.32 0.00 1.93 1.58 0.92 0.69 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 59 A 8.62 3.99 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 60 N 8.08 4.52 0.00 2.85 2.95 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.35 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 62 D 8.45 4.61 0.00 2.71 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 63 L 8.38 4.82 0.00 1.67 1.55 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 64 K 9.34 4.47 0.00 1.82 1.76 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.38 7.81 65 I 8.22 4.22 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.79 0.00 0.00 66 K 8.89 3.98 0.00 1.56 1.81 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.34 7.81 67 N 7.66 4.66 0.00 2.52 2.58 0.00 0.00 6.99 7.78 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 68 L 8.39 4.32 0.00 1.66 1.58 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.42 4.74 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 1.19 0.00 0.00 70 R 8.75 3.86 0.00 1.87 2.01 0.00 3.18 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 71 D 8.04 4.68 0.00 2.84 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 72 D 8.23 4.86 0.00 2.88 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 73 S 7.77 4.64 0.00 4.15 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 74 G 7.71 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 0.00 0.00 0.00 75 T 7.96 4.88 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 1.24 0.00 0.00 76 Y 8.97 4.63 0.00 2.93 2.87 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 77 N 8.89 5.53 0.00 2.59 2.74 0.00 0.00 6.94 7.68 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 78 V 8.86 4.53 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 0.78 0.00 0.00 0.95 0.00 0.00 79 T 8.44 4.97 4.34 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 0.96 0.00 0.00 80 V 8.45 4.49 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 0.97 0.00 0.00 0.92 0.00 0.00 81 Y 8.54 5.17 0.00 2.83 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 82 S 8.92 4.50 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 83 T 8.49 3.99 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 1.23 0.00 0.00 84 N 8.11 4.87 0.00 2.84 2.86 0.00 0.00 6.02 7.00 0.00 0.00 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 G 8.06 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 86 T 7.75 4.29 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 1.30 0.00 0.00 87 R 8.57 3.85 0.00 1.67 1.81 0.00 3.06 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 0.00 88 I 7.82 4.20 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.98 0.00 0.00 89 L 7.31 4.47 0.00 1.61 1.39 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.47 4.94 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 9.21 4.85 0.00 1.67 1.64 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.49 7.81 92 A 8.58 5.21 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 93 L 9.03 4.61 0.00 1.61 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.82 5.02 0.00 2.58 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 95 L 9.17 4.35 0.00 1.76 1.91 0.90 1.05 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 96 R 8.62 4.98 0.00 1.73 1.83 0.00 3.23 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 97 I 8.21 4.37 1.89 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 1.32 0.62 0.92 0.00 0.00 98 L 8.53 4.17 0.00 1.61 1.58 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.70 4.29 0.00 1.96 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 2.20 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.