NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4096 0.0000 0.0000 62.4204 34.1289 177.7322 4 G 3.5767 7.6851 105.7524 45.8384 0.0000 170.3439 5 V 3.6527 8.4765 121.8873 66.5038 32.2865 176.2293 6 T 3.9378 8.0048 114.9620 66.8302 68.2250 176.1058 7 D 4.4046 7.6835 121.1248 57.5410 40.6526 179.0677 8 R 4.1539 7.5158 116.8421 58.9994 30.1010 178.8189 9 I 4.0808 7.7349 119.2995 64.4987 37.4768 178.0677 10 G 3.9280 7.9822 105.8908 47.9225 0.0000 175.9128 11 Q 4.2487 8.0065 118.5603 56.7883 28.7208 177.9299 *13 I 4.3675 7.6424 120.1996 61.0633 39.3990 177.2098 14 L 4.2348 8.2498 120.0544 58.0771 41.5875 180.2082 15 E 4.1840 8.7315 115.9266 57.0543 29.0269 178.6797 *17 F 4.9900 8.2245 122.9139 58.5626 40.8723 177.1083 18 R 4.1592 8.3409 116.7412 57.7561 30.0535 178.0301 19 T 3.8005 7.4331 108.3109 62.3753 69.3644 173.8107 20 G 3.3442 7.2989 109.9298 45.8146 0.0000 172.0842 *22 C 4.1869 7.5158 116.5024 59.6114 30.4149 174.0838 23 L 4.3521 8.2671 123.2274 53.2796 43.8729 175.2144 24 F 4.9519 8.6541 126.3037 56.6500 40.6727 175.1940 25 S 5.1321 9.4073 117.7436 56.4687 66.4764 172.9386 26 V 4.7050 8.6666 122.0367 61.0657 34.4222 174.0206 27 R 5.1017 8.6031 127.2134 54.6751 32.8545 175.0681 28 S 4.6868 8.8057 121.3578 55.9280 65.1099 173.1156 29 P 4.3810 0.0000 0.0000 65.2053 30.9525 177.8689 30 G 4.1863 7.8131 102.5483 44.8567 0.0000 172.0143 31 G 4.2926 8.1010 108.0074 43.8770 0.0000 172.2601 32 V 4.9343 8.0422 117.9068 59.8743 34.5802 174.0716 33 A 4.7457 9.0746 125.9311 50.2226 21.4263 175.1061 34 E 4.8388 8.7247 121.5296 54.3759 32.1501 175.3613 35 L 4.2218 8.7531 124.9058 52.8270 44.2734 175.3011 36 Y 5.1065 9.0005 120.1757 56.6233 41.5777 174.3118 37 G 4.4245 8.6850 106.7130 44.1423 0.0000 174.0164 38 G 4.0341 8.3986 106.8248 43.7201 0.0000 171.8539 39 E 4.7650 7.8223 117.9044 54.5076 33.2287 174.6888 40 A 4.7913 8.6913 125.9717 50.6511 21.5281 176.3078 41 R 4.3126 8.9091 119.3013 57.8201 31.2160 177.4084 42 K 4.6049 7.6009 118.6974 54.7239 35.9507 175.0533 43 V 4.7653 8.2467 125.3090 61.1017 34.7494 174.1696 44 E 4.6033 9.1977 127.6954 54.6725 33.2138 173.6785 45 I 4.8805 8.5204 127.5523 60.0072 39.3016 175.3558 46 T 4.4637 8.9121 125.2250 62.2120 71.4524 174.6635 47 G 4.1211 8.3041 117.8970 47.3935 0.0000 173.1281 48 T 4.4446 8.4511 113.6425 61.3476 69.0526 173.2944 49 S 5.2102 8.2465 119.3007 57.4685 65.0903 172.8902 50 L 5.1501 8.5976 126.4284 53.6726 44.7693 175.1462 51 T 5.1784 8.9658 121.0972 61.9061 72.9741 172.8759 52 I 4.6810 8.6913 126.1774 59.3750 41.0360 174.2661 53 E 4.7165 8.8110 125.5783 54.6825 32.5957 175.7799 54 R 4.3864 7.9755 123.9454 53.9925 33.0252 176.7497 55 E 3.7175 8.7910 120.3384 59.4276 29.2342 177.5500 56 D 5.0143 7.8530 113.7450 52.2172 40.1508 175.1614 57 W 5.3016 7.4129 115.4927 55.8471 31.1425 173.0372 58 H 5.5367 8.8947 116.4340 54.0554 31.9336 172.4618 59 L 4.8088 9.3779 124.0141 53.5622 44.7363 174.6764 60 H 5.4157 8.8100 122.2937 54.1369 32.0956 172.6674 61 C 4.6231 8.8122 122.1429 57.7175 35.0156 173.4082 62 K 4.8421 8.6836 126.0836 54.8431 30.9144 177.1287 63 L 4.0030 8.9647 126.1340 57.1724 41.8442 179.6896 64 E 4.1689 8.0810 115.3959 58.4082 30.0358 177.7816 65 T 4.0204 8.1035 109.9448 63.0172 69.3789 174.4234 66 V 4.1852 7.3887 122.0670 62.9847 30.9776 174.6644 67 E 4.4479 9.1592 130.4180 58.3397 30.3879 176.0701 68 T 4.7980 7.7208 107.3196 59.9658 73.3992 172.8352 69 V 4.5424 8.0095 120.7552 61.0707 34.5838 173.9129 70 V 4.4446 8.7379 128.5695 61.4504 33.6046 174.3174 71 F 5.5109 8.7093 127.1741 56.3703 40.5507 174.2200 72 D 5.4158 9.4490 125.0904 52.3755 43.0612 175.1883 73 L 4.9536 8.6664 128.2584 53.7284 44.9899 175.1499 74 S 5.0030 8.6701 120.2126 56.5907 66.8561 171.6887 75 P 4.9585 0.0000 0.0000 62.2544 32.1161 176.1564 76 K 4.3437 8.8171 122.7670 55.6271 33.4214 176.9541 77 D 4.5018 8.7819 121.8366 57.7526 40.7797 178.7909 78 N 4.2761 8.0660 113.8503 54.0196 37.2799 174.4224 79 G 3.7708 7.2177 109.2924 46.2511 0.0000 172.4497 80 G 3.9313 8.0380 108.1317 43.5751 0.0000 172.1337 81 I 4.7471 7.8532 119.8060 59.2750 39.7304 176.1669 82 R 4.1896 8.9361 126.1885 55.3284 32.4039 174.4295 *84 A 4.5432 8.2603 120.3039 51.7739 20.4176 175.7208 85 V 4.8673 8.8705 121.4041 61.2619 33.9706 174.5880 86 V 4.5478 8.6706 128.6736 61.1624 34.0171 174.2500 87 F 5.0604 9.3292 128.1420 56.6574 40.1288 175.1334 88 R 5.1653 9.0634 124.0442 54.5735 33.1388 176.7466 89 D 5.4634 8.7258 122.1168 51.7305 41.8990 176.5532 90 K 3.9652 8.8149 118.5507 59.7430 32.2730 177.8687 91 H 4.8173 9.0417 116.3476 55.4416 29.0927 174.4084 92 Q 3.5231 8.0586 113.8522 56.6748 28.2776 173.4125 93 A 4.2460 7.7655 120.9840 51.4621 19.1191 176.0593 94 P 4.8940 0.0000 0.0000 62.9802 32.0103 176.6106 95 V 4.2211 8.7956 116.2103 62.2897 32.9771 175.9794 96 L 4.6863 7.5789 119.5007 54.1578 45.5191 173.3362 97 R 5.2156 8.9675 124.6590 54.5704 33.9854 173.6265 98 A 4.7358 9.2886 127.4016 50.0975 21.4705 174.5230 99 A 4.8027 8.4919 124.4806 51.2213 20.8504 176.0645 100 W 4.7263 8.8765 122.5285 55.6375 30.7292 175.9723 101 L 4.7597 8.3083 123.2502 52.1700 43.8324 175.5199 102 P 4.2879 0.0000 0.0000 65.6664 31.4097 178.0542 103 R 4.0768 7.9816 112.8568 58.3018 29.7315 176.5562 104 L 4.4650 7.6914 120.0457 53.7738 41.8866 174.4638 *106 P 4.2385 0.0000 0.0000 62.3503 32.6846 176.2879 107 E 4.0843 8.9149 120.5926 58.6971 29.8359 177.2124 108 T 4.5934 7.5337 107.0004 58.9621 71.0135 171.9892 109 P 4.5926 0.0000 0.0000 61.2932 32.6815 176.4510 110 S 4.2435 8.3910 114.0076 58.2072 64.3612 173.0760 111 P 4.3098 0.0000 0.0000 65.8371 31.1225 177.1114 112 P 4.2822 0.0000 0.0000 65.5343 31.1521 178.3042 113 E 3.9472 7.7864 116.9430 59.2504 29.5680 178.7533 114 Q 4.1588 8.3580 118.2650 58.8228 28.7371 178.6068 115 F 3.1469 8.5243 122.0049 60.6678 39.4070 176.7124 116 W 3.9753 8.4908 127.9897 60.4817 30.2411 177.5857 117 A 4.0266 8.4334 119.2569 55.1748 17.6860 178.8759 118 F 4.0545 8.4668 119.6859 61.8493 39.4124 177.5502 119 T 3.5166 7.7313 109.3144 64.1758 68.4300 176.1858 120 Q 3.5493 7.6450 122.8214 59.0589 28.7564 178.3590 121 R 3.8527 7.2362 116.5057 58.0552 30.2927 176.7139 122 Y 4.6495 7.8106 114.7779 57.3625 39.4138 177.4702 123 I 3.8392 7.6335 121.7842 64.2387 37.2136 176.9524 124 D 4.4823 7.9393 117.5994 54.4837 39.5178 176.2015 125 L 4.2200 7.7713 121.8024 53.9971 41.9378 177.5214 126 P 4.3648 0.0000 0.0000 61.8391 30.3944 176.4341 *128 V 3.6994 7.6496 116.7031 62.7097 32.7491 174.3946 129 V 4.0850 8.4313 127.9594 61.2424 33.2493 174.1839 130 D 4.8769 8.7475 128.6128 53.1528 41.3306 175.4859 131 A 4.8907 8.7597 131.0577 51.5886 20.2732 175.6566 132 R 4.5832 8.4858 119.4317 56.8224 31.0868 176.8081 133 N 4.6489 9.2411 123.0165 52.6169 37.9180 175.2759 134 R 3.5606 8.5691 126.5763 59.0082 29.9564 177.8539 135 Q 4.2878 8.0220 117.0032 58.5084 28.6740 178.1815 136 L 4.0621 7.9773 119.6378 56.7787 41.6082 178.6242 137 V 3.8838 7.2336 116.4711 62.9864 33.1932 175.7303 138 F 4.6484 7.8083 118.6222 54.6234 39.0361 173.4001 139 P 4.4190 0.0000 0.0000 62.7079 31.3231 177.1152 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 3 P 0.00 4.41 0.00 2.20 2.05 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 4 G 7.69 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 0.00 0.00 0.00 5 V 8.48 3.65 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 1.10 0.00 0.00 0.95 0.00 0.00 6 T 8.00 3.94 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 1.22 0.00 0.00 7 D 7.68 4.40 0.00 3.02 2.75 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 8 R 7.52 4.15 0.00 2.16 2.20 0.00 3.21 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 9 I 7.73 4.08 2.07 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.83 1.01 0.00 0.00 10 G 7.98 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 0.00 0.00 0.00 11 Q 8.01 4.25 0.00 2.25 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.34 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 *13 I 7.64 4.37 1.98 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.75 0.00 0.00 14 L 8.25 4.23 0.00 2.04 1.81 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.73 4.18 0.00 2.51 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 0.00 2.53 2.56 0.00 *17 F 8.22 4.99 0.00 3.01 3.32 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 18 R 8.34 4.16 0.00 1.93 1.99 0.00 3.28 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.02 0.00 19 T 7.43 3.80 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 1.19 0.00 0.00 20 G 7.30 3.34 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 0.00 *22 C 7.52 4.19 0.00 2.36 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 0.00 0.00 0.00 0.00 23 L 8.27 4.35 0.00 1.29 1.24 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.65 4.95 0.00 2.80 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 25 S 9.41 5.13 0.00 3.78 3.81 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 26 V 8.67 4.70 2.05 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 1.01 0.00 0.00 0.90 0.00 0.00 27 R 8.60 5.10 0.00 1.81 1.76 0.00 3.28 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 1.49 1.71 0.00 28 S 8.81 4.69 0.00 4.03 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 29 P 0.00 4.38 0.00 2.06 2.17 0.00 3.62 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 2.09 0.00 30 G 7.81 4.19 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 0.00 31 G 8.10 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 0.00 0.00 0.00 0.00 32 V 8.04 4.93 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 0.73 0.00 0.00 0.91 0.00 0.00 33 A 9.07 4.75 1.17 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 0.00 0.00 34 E 8.72 4.84 0.00 1.84 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 2.11 2.25 0.00 35 L 8.75 4.22 0.00 0.81 0.13 0.36 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 9.00 5.11 0.00 2.86 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 37 G 8.68 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 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 0.00 0.00 0.00 0.00 39 E 7.82 4.76 0.00 1.88 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 2.15 2.21 0.00 40 A 8.69 4.79 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 41 R 8.91 4.31 0.00 1.53 1.93 0.00 3.16 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 42 K 7.60 4.60 0.00 1.69 1.44 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.36 7.81 43 V 8.25 4.77 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 0.77 0.00 0.00 0.83 0.00 0.00 44 E 9.20 4.60 0.00 1.96 1.66 0.00 0.00 0.00 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 2.25 0.00 45 I 8.52 4.88 1.86 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 1.34 0.62 0.91 0.00 0.00 46 T 8.91 4.46 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 47 G 8.30 4.12 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 0.00 48 T 8.45 4.44 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 1.22 0.00 0.00 49 S 8.25 5.21 0.00 3.88 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 50 L 8.60 5.15 0.00 1.70 1.40 0.91 0.30 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 51 T 8.97 5.18 4.19 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 1.14 0.00 0.00 52 I 8.69 4.68 1.54 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.52 -0.16 0.00 0.00 53 E 8.81 4.72 0.00 1.62 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.00 0.00 54 R 7.98 4.39 0.00 0.67 1.38 0.00 3.32 0.00 0.00 2.48 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.87 0.00 55 E 8.79 3.72 0.00 1.85 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 0.00 2.28 2.30 0.00 56 D 7.85 5.01 0.00 2.82 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 57 W 7.41 5.30 0.00 3.36 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 58 H 8.89 5.54 0.00 3.00 3.06 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 9.38 4.81 0.00 1.70 1.54 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.81 5.42 0.00 3.03 3.11 0.00 5.70 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 61 C 8.81 4.62 0.00 2.85 2.61 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 62 K 8.68 4.84 0.00 1.85 2.05 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.44 7.81 63 L 8.96 4.00 0.00 1.75 1.73 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.08 4.17 0.00 2.08 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 0.00 2.28 2.24 0.00 65 T 8.10 4.02 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 1.26 0.00 0.00 66 V 7.39 4.19 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 0.96 0.00 0.00 1.03 0.00 0.00 67 E 9.16 4.45 0.00 2.00 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 2.29 2.30 0.00 68 T 7.72 4.80 4.17 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 1.19 0.00 0.00 69 V 8.01 4.54 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 0.49 0.00 0.00 0.97 0.00 0.00 70 V 8.74 4.44 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 0.99 0.00 0.00 0.87 0.00 0.00 71 F 8.71 5.51 0.00 2.94 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 72 D 9.45 5.42 0.00 2.65 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 73 L 8.67 4.95 0.00 1.98 1.70 0.86 1.43 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 74 S 8.67 5.00 0.00 3.92 3.91 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 75 P 0.00 4.96 0.00 2.08 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 1.96 1.99 0.00 76 K 8.82 4.34 0.00 1.70 1.96 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.37 7.81 77 D 8.78 4.50 0.00 2.73 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 78 N 8.07 4.28 0.00 2.82 2.96 0.00 0.00 6.21 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 79 G 7.22 3.77 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 0.00 0.00 0.00 80 G 8.04 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 0.00 0.00 0.00 81 I 7.85 4.75 1.82 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 1.26 0.69 0.90 0.00 0.00 82 R 8.94 4.19 0.00 1.80 1.88 0.00 3.12 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 *84 A 8.26 4.54 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 85 V 8.87 4.87 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 0.82 0.00 0.00 1.04 0.00 0.00 86 V 8.67 4.55 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 0.86 0.00 0.00 0.95 0.00 0.00 87 F 9.33 5.06 0.00 3.16 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 88 R 9.06 5.17 0.00 1.71 1.83 0.00 3.41 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 89 D 8.73 5.46 0.00 2.96 2.88 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 90 K 8.81 3.97 0.00 1.79 2.00 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.63 7.81 91 H 9.04 4.82 0.00 3.19 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.06 3.52 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 93 A 7.77 4.25 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 94 P 0.00 4.89 0.00 2.24 2.12 0.00 3.78 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 2.01 2.01 0.00 95 V 8.80 4.22 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 0.75 0.00 0.00 1.05 0.00 0.00 96 L 7.58 4.69 0.00 1.72 1.51 1.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.97 5.22 0.00 1.96 1.72 0.00 3.07 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 98 A 9.29 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.49 4.80 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 0.00 100 W 8.88 4.73 0.00 2.95 3.16 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 0.00 101 L 8.31 4.76 0.00 1.68 1.56 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.29 0.00 2.05 2.14 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 103 R 7.98 4.08 0.00 1.92 2.08 0.00 3.02 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 104 L 7.69 4.46 0.00 1.75 1.69 1.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *106 P 0.00 4.24 0.00 2.24 2.12 0.00 3.91 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 107 E 8.91 4.08 0.00 1.96 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 2.30 2.30 0.00 108 T 7.53 4.59 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 0.00 109 P 0.00 4.59 0.00 2.10 2.17 0.00 3.75 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 2.08 2.11 0.00 110 S 8.39 4.24 0.00 4.02 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 0.00 111 P 0.00 4.31 0.00 2.19 2.23 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 112 P 0.00 4.28 0.00 2.10 2.09 0.00 3.50 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 113 E 7.79 3.95 0.00 1.98 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 2.34 2.26 0.00 114 Q 8.36 4.16 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 115 F 8.52 3.15 0.00 2.65 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 0.00 116 W 8.49 3.98 0.00 3.63 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 0.00 117 A 8.43 4.03 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 0.00 118 F 8.47 4.05 0.00 3.22 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 0.00 119 T 7.73 3.52 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 -0.58 0.00 0.00 120 Q 7.65 3.55 0.00 1.84 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 121 R 7.24 3.85 0.00 1.45 1.41 0.00 3.01 0.00 0.00 2.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 122 Y 7.81 4.65 0.00 3.10 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 0.00 123 I 7.63 3.84 1.98 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 1.48 0.53 0.87 0.00 0.00 124 D 7.94 4.48 0.00 2.74 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 0.00 125 L 7.77 4.22 0.00 1.81 1.68 1.11 0.90 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 0.00 126 P 0.00 4.36 0.00 2.03 2.07 0.00 3.71 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 2.03 2.07 0.00 *128 V 7.65 3.70 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 0.18 0.00 0.00 0.58 0.00 0.00 129 V 8.43 4.08 1.97 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 0.90 0.00 0.00 0.85 0.00 0.00 130 D 8.75 4.88 0.00 2.69 2.61 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 0.00 131 A 8.76 4.89 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 0.00 132 R 8.49 4.58 0.00 2.26 2.39 0.00 2.96 0.00 0.00 2.95 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 133 N 9.24 4.65 0.00 2.78 2.85 0.00 0.00 6.41 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 0.00 134 R 8.57 3.56 0.00 1.97 1.88 0.00 3.32 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.62 0.00 135 Q 8.02 4.29 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 136 L 7.98 4.06 0.00 1.79 1.69 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.23 3.88 1.22 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 -0.14 0.00 0.00 0.82 0.00 0.00 138 F 7.81 4.65 0.00 2.80 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 0.00 139 P 0.00 4.42 0.00 2.16 2.09 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.