NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4263 8.3049 120.3212 54.9416 33.0825 175.1450 2 T 3.6560 8.5201 121.4250 63.3007 68.7833 172.4046 3 N 4.8536 8.6235 125.0415 52.1862 41.5408 172.3615 4 R 4.7317 8.3836 124.5896 54.5777 33.1465 173.2495 5 L 4.7244 9.1944 129.6329 53.1648 44.6976 175.0518 6 V 4.8627 8.3958 125.5181 61.0664 33.8805 174.2972 7 L 4.6898 9.2164 130.2108 53.5771 45.1754 175.2139 8 S 5.1320 8.5901 122.0919 57.5923 65.2524 174.4850 9 G 4.0744 7.7806 107.0156 46.7548 0.0000 171.5384 10 T 5.1975 8.2401 114.5903 59.8817 70.9052 174.7871 11 V 4.4129 8.5232 128.6259 63.3146 32.1678 175.7520 12 C 4.9413 9.0358 121.7605 57.9317 30.8384 173.8349 13 R 4.7367 7.8764 119.1808 54.2033 32.8832 174.3194 14 A 4.2012 8.8982 127.8072 51.7485 18.8403 175.4453 15 P 4.8993 0.0000 0.0000 62.8971 32.3077 175.7272 16 L 4.8140 9.2501 122.8509 54.0432 43.6266 175.4396 17 R 4.7502 8.6635 121.9143 55.3428 31.1180 175.9881 18 K 4.5652 8.6983 123.5538 54.5261 35.8540 175.2811 19 V 4.6913 7.9496 120.4425 60.8981 33.8302 175.5091 20 S 4.3866 9.1920 123.4065 57.5378 63.5233 173.6694 21 P 4.3284 0.0000 0.0000 65.2295 31.2027 177.1208 22 S 4.5170 8.0905 111.8606 58.0678 62.9577 175.2576 23 G 3.8666 8.2143 108.5069 45.9121 0.0000 173.8559 24 I 4.3727 7.4864 121.8125 59.2708 37.5286 173.9569 25 P 5.0864 0.0000 0.0000 63.2224 32.8952 174.8468 26 H 5.3339 8.7639 115.3759 54.5348 32.7023 171.3536 27 C 5.2368 9.4653 120.1076 57.8062 34.0349 172.4177 28 Q 5.4513 9.3341 125.2377 53.4231 31.6200 174.7046 29 F 5.1460 7.7291 116.6645 56.0650 42.1831 172.4558 30 V 4.6787 8.5874 117.9954 60.9492 34.3167 173.5763 31 L 5.2003 9.2091 130.1157 53.3469 44.5767 174.3127 32 E 4.8530 9.5525 128.3745 55.1200 31.3411 173.7992 33 H 5.1826 9.1082 127.7321 54.5806 32.4800 173.6291 34 R 5.1528 8.0996 125.2832 55.2975 32.5831 173.7288 35 S 4.7367 9.2988 120.6924 56.9829 67.4718 172.6542 36 V 4.6992 8.3165 120.0445 61.5985 32.5318 174.7115 37 Q 4.8471 9.6781 126.4473 54.0664 33.0998 173.6452 38 E 5.2129 8.7269 120.9009 54.5505 31.6135 175.1403 39 A 4.5234 9.3868 129.1687 51.9628 22.3329 175.6557 40 A 3.9164 9.8566 124.7017 53.1765 16.3125 177.4781 41 G 3.7710 8.6073 103.8391 47.6217 0.0000 174.1862 42 F 4.7153 8.1374 117.0028 55.3908 42.8070 173.8191 43 H 5.1946 8.9353 120.4881 55.5764 29.1417 174.8878 44 R 4.7119 9.4381 124.1322 54.5800 32.4493 175.8128 45 Q 4.7714 8.7266 121.9925 55.4312 30.0055 175.0346 46 A 4.9006 9.1365 125.6372 49.9007 21.6775 174.8363 47 W 5.5363 8.8387 131.6818 56.1247 34.3475 173.6716 48 C 3.4598 7.9566 123.6050 57.9634 35.1537 172.7549 49 Q 4.7454 7.4405 122.6582 54.4970 30.3971 174.7608 50 M 4.3731 8.8951 125.5889 52.8006 33.8846 174.4075 51 P 4.6159 0.0000 0.0000 62.5553 33.1431 175.5728 52 V 4.5000 8.3184 123.3772 60.9336 34.9635 173.9767 53 I 4.7089 8.3452 128.3551 59.3796 40.0801 174.5283 54 V 4.6541 8.8143 127.8887 61.2444 33.3840 174.6112 55 S 4.9773 8.8984 122.0694 57.1509 66.4869 172.9987 56 G 4.1075 8.3178 110.7533 46.0679 0.0000 174.6987 57 H 4.4550 8.7803 118.5720 57.6359 28.9479 176.5682 58 E 3.9521 7.9537 117.8636 58.7192 29.9628 177.3897 59 N 4.7831 7.3856 117.6643 51.7974 37.3474 173.9242 60 Q 4.5425 7.6946 118.8867 56.7142 32.0307 178.3836 61 A 4.0617 8.0382 118.8183 54.8037 18.6007 179.3293 62 I 3.8323 7.6279 111.2458 64.5238 37.8915 178.3300 63 T 3.8444 7.9156 117.4651 66.6675 68.1449 176.0525 64 H 4.3190 8.7141 116.8346 57.8352 28.8228 177.0002 65 S 4.5052 7.5130 114.0384 57.8692 63.6272 174.1797 66 I 3.8629 6.7959 124.6904 61.1601 37.5506 174.9453 67 T 4.5692 8.7566 118.9728 59.3990 70.7213 172.7692 68 V 3.8183 8.1677 123.5778 64.8037 31.4278 175.8485 69 G 4.0695 8.8504 116.0072 45.2759 0.0000 173.5139 70 S 4.2150 8.2218 117.4113 58.5598 64.1942 173.6997 71 R 4.9636 8.6235 123.9153 55.0338 31.1349 175.2380 72 I 5.0186 8.4052 117.5460 59.2478 41.4757 174.4091 73 T 5.0494 8.5609 120.4437 62.0164 70.7851 173.6823 74 V 4.9227 8.9229 126.3274 61.0888 34.9726 173.9811 75 Q 4.9174 8.8340 127.5406 54.5272 32.4441 174.7196 76 G 4.3731 8.3442 112.3857 46.0428 0.0000 171.3314 77 F 5.5988 7.7322 114.5146 55.1308 40.7749 174.9819 78 I 4.7929 8.9101 114.8973 60.2763 39.3099 174.8437 79 S 4.7706 9.0932 117.7391 57.2102 66.3000 172.0444 80 C 5.4429 8.5840 124.4555 57.9375 34.1282 172.6609 81 H 4.7435 8.9565 122.0946 55.3713 31.4470 173.0710 82 K 3.8501 9.0803 125.1866 57.8340 31.1272 175.5662 *89 K 4.1892 7.4218 116.0846 56.4923 33.9262 174.0851 90 M 5.1801 8.5865 122.2143 53.6706 34.4267 175.5480 91 V 4.5305 8.8931 116.7473 59.3489 35.7445 174.2658 92 L 4.5989 8.4947 126.4048 54.0403 43.8812 175.0235 93 H 4.6902 8.7858 124.6276 54.2027 29.4546 174.2877 94 A 4.4048 8.8533 126.8845 52.0162 18.5677 175.6488 95 E 4.4344 9.5419 123.3375 57.6246 31.2223 175.8454 96 Q 4.7946 7.8811 117.9642 54.2536 31.8441 174.3840 97 I 5.0172 8.1558 122.2297 59.9133 41.0773 173.6280 98 E 4.7575 9.1107 128.8218 54.3935 33.0487 175.4424 99 L 4.4980 8.5327 123.8778 54.1277 42.1916 176.7002 100 I 4.0402 8.4311 124.4286 61.0148 37.5580 175.3787 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 M 8.30 4.43 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 2 T 8.52 3.66 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 1.22 0.00 0.00 3 N 8.62 4.85 0.00 2.68 2.70 0.00 0.00 6.85 7.65 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 4 R 8.38 4.73 0.00 1.82 1.77 0.00 3.26 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 5 L 9.19 4.72 0.00 1.73 1.45 0.88 0.52 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 6 V 8.40 4.86 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 0.84 0.00 0.00 0.93 0.00 0.00 7 L 9.22 4.69 0.00 1.63 1.39 0.67 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.59 5.13 0.00 3.84 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 9 G 7.78 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.24 5.20 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 1.31 0.00 0.00 11 V 8.52 4.41 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 0.93 0.00 0.00 0.74 0.00 0.00 12 C 9.04 4.94 0.00 3.06 3.04 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 13 R 7.88 4.74 0.00 1.81 1.84 0.00 3.33 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 14 A 8.90 4.20 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 15 P 0.00 4.90 0.00 2.11 2.07 0.00 3.69 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 1.95 2.00 0.00 16 L 9.25 4.81 0.00 1.68 1.77 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.66 4.75 0.00 1.68 1.89 0.00 3.26 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 18 K 8.70 4.57 0.00 1.28 1.61 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.47 7.81 19 V 7.95 4.69 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 0.84 0.00 0.00 0.92 0.00 0.00 20 S 9.19 4.39 0.00 4.05 4.08 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 21 P 0.00 4.33 0.00 2.07 2.17 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 22 S 8.09 4.52 0.00 3.98 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 23 G 8.21 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 0.00 0.00 0.00 24 I 7.49 4.37 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 0.96 0.00 0.00 25 P 0.00 5.09 0.00 2.13 2.18 0.00 3.70 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 26 H 8.76 5.33 0.00 3.30 3.39 0.00 5.21 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.47 5.24 0.00 3.00 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 Q 9.33 5.45 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.30 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 29 F 7.73 5.15 0.00 3.24 3.11 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 0.00 0.00 0.00 30 V 8.59 4.68 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 0.96 0.00 0.00 0.93 0.00 0.00 31 L 9.21 5.20 0.00 1.95 1.66 1.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.55 4.85 0.00 2.11 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 2.40 2.36 0.00 33 H 9.11 5.18 0.00 3.25 3.00 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.10 5.15 0.00 1.95 1.79 0.00 3.30 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 35 S 9.30 4.74 0.00 3.89 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 36 V 8.32 4.70 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 0.84 0.00 0.00 0.98 0.00 0.00 37 Q 9.68 4.85 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 38 E 8.73 5.21 0.00 1.99 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 0.00 2.17 2.38 0.00 39 A 9.39 4.52 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 40 A 9.86 3.92 1.43 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 0.00 0.00 41 G 8.61 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 42 F 8.14 4.72 0.00 3.27 2.85 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 43 H 8.94 5.19 0.00 3.14 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.44 4.71 0.00 1.74 1.87 0.00 3.33 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 45 Q 8.73 4.77 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 46 A 9.14 4.90 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 47 W 8.84 5.54 0.00 3.22 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 48 C 7.96 3.46 0.00 2.76 2.41 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 49 Q 7.44 4.75 0.00 1.72 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 50 M 8.90 4.37 0.00 1.75 1.87 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 51 P 0.00 4.62 0.00 1.94 1.86 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 52 V 8.32 4.50 0.72 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 0.65 0.00 0.00 0.79 0.00 0.00 53 I 8.35 4.71 1.51 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.38 0.77 0.00 0.00 54 V 8.81 4.65 2.18 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 1.05 0.00 0.00 1.07 0.00 0.00 55 S 8.90 4.98 0.00 3.92 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 56 G 8.32 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.78 4.45 0.00 3.30 3.46 0.00 5.54 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 58 E 7.95 3.95 0.00 2.03 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 0.00 2.24 2.25 0.00 59 N 7.39 4.78 0.00 2.83 2.85 0.00 0.00 6.81 7.57 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 60 Q 7.69 4.54 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.59 2.30 0.00 61 A 8.04 4.06 1.27 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 62 I 7.63 3.83 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 1.64 0.72 0.90 0.00 0.00 63 T 7.92 3.84 4.49 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 1.33 0.00 0.00 64 H 8.71 4.32 0.00 3.06 3.38 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.51 4.51 0.00 3.97 4.08 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 66 I 6.80 3.86 1.86 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.59 0.45 0.00 0.00 67 T 8.76 4.57 4.20 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 0.00 0.00 0.00 1.17 0.00 0.00 68 V 8.17 3.82 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 0.89 0.00 0.00 0.93 0.00 0.00 69 G 8.85 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.22 4.22 0.00 3.69 3.71 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 71 R 8.62 4.96 0.00 1.72 1.88 0.00 3.23 0.00 0.00 3.54 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 72 I 8.41 5.02 1.93 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 1.20 0.90 0.83 0.00 0.00 73 T 8.56 5.05 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 74 V 8.92 4.92 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 0.85 0.00 0.00 1.06 0.00 0.00 75 Q 8.83 4.92 0.00 2.14 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.42 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 76 G 8.34 4.37 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 0.00 77 F 7.73 5.60 0.00 3.26 3.24 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 0.00 78 I 8.91 4.79 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 1.33 0.70 0.88 0.00 0.00 79 S 9.09 4.77 0.00 4.09 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 80 C 8.58 5.44 0.00 2.97 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 81 H 8.96 4.74 0.00 2.94 3.16 0.00 6.06 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 9.08 3.85 0.00 1.89 1.93 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.51 7.81 *89 K 7.42 4.19 0.00 1.72 1.76 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.56 1.43 7.81 90 M 8.59 5.18 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 91 V 8.89 4.53 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 0.63 0.00 0.00 0.92 0.00 0.00 92 L 8.49 4.60 0.00 1.61 1.50 0.81 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.79 4.69 0.00 1.40 2.56 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 94 A 8.85 4.40 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 95 E 9.54 4.43 0.00 1.98 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 0.00 2.26 2.31 0.00 96 Q 7.88 4.79 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 97 I 8.16 5.02 1.93 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 1.37 0.79 0.95 0.00 0.00 98 E 9.11 4.76 0.00 1.93 1.78 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 2.21 2.25 0.00 99 L 8.53 4.50 0.00 1.49 1.62 0.88 0.79 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 0.00 100 I 8.43 4.04 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 1.09 0.79 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.