NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 S 4.3700 8.1885 115.2897 58.1222 64.6965 175.6628 24 A 3.7804 7.9785 122.3418 54.2533 18.1292 175.9581 25 E 3.8403 8.4758 119.3298 59.2955 30.1949 177.1032 26 A 4.0139 7.9218 120.4098 55.1248 18.4317 179.5821 27 S 4.0360 8.3350 113.6101 61.6745 62.8784 176.6521 28 A 3.9265 8.1187 123.1823 55.2492 18.0349 179.5907 29 A 3.8980 8.0993 119.1153 55.3377 18.4765 179.5954 30 D 4.2786 8.3398 117.5829 57.5586 40.9766 178.1412 31 Y 4.0540 8.2173 120.1541 60.9854 38.7440 178.3489 32 L 3.8446 8.2379 119.7626 57.8468 41.6488 179.4652 33 E 4.5601 8.4296 120.1526 59.0775 29.1734 179.6435 34 R 3.9847 7.8921 117.0555 58.5920 30.0630 178.0155 35 Q 4.3819 7.3942 115.8947 55.4615 28.9046 176.4272 36 G 3.8500 7.9549 108.2638 45.1905 0.0000 173.4322 37 Y 4.5684 8.1327 117.5729 56.9462 40.0847 174.3298 38 R 4.7880 8.8875 123.0474 54.9219 32.3524 175.0381 39 I 4.4839 8.3329 127.0666 60.9240 37.4231 175.4829 40 L 4.5993 9.1303 127.2869 56.3139 43.0388 176.9052 41 A 4.7874 7.5682 117.7802 50.9462 22.6325 175.6473 42 R 4.8746 8.4043 118.8590 55.6497 33.6362 176.1977 43 R 3.7993 8.9250 121.5104 57.2114 28.2647 176.8382 44 F 4.5236 8.6981 120.4895 57.8081 40.4296 173.8821 45 K 4.6059 7.8138 126.7721 54.7266 34.3056 175.0196 46 T 4.5339 8.1283 115.9631 59.7848 70.9191 174.4476 47 R 3.8600 8.6883 123.6289 59.1017 29.9349 176.7280 48 C 4.5709 7.7522 111.7681 58.5956 28.9838 173.2137 49 G 3.9871 7.3698 107.8996 46.3039 0.0000 171.6720 50 E 5.2142 8.3559 115.2366 55.6029 32.4647 174.7536 51 I 4.6993 8.7970 120.8037 59.9940 40.9681 176.1979 52 D 4.4639 9.1159 126.9907 56.9737 41.9956 176.3705 53 L 5.1727 8.2521 117.2681 52.8774 46.4819 175.6468 54 V 4.4265 8.7116 123.0202 61.0079 33.5603 174.3096 55 A 5.1587 8.4241 128.7819 50.1301 22.9605 174.2407 56 Q 4.9150 9.2635 120.6610 54.3499 33.0075 174.3744 57 R 4.4588 8.3927 125.5391 54.8941 33.0232 173.7460 58 D 4.3174 8.8639 127.1453 56.0530 38.7260 174.3708 59 A 4.4871 8.4719 130.5297 52.9499 18.8646 175.5134 60 L 5.1044 7.6601 121.2923 54.4255 44.7069 175.2897 61 V 4.5001 9.0099 126.3705 60.9153 33.9137 173.8541 62 A 4.7122 8.6230 129.8013 49.9807 21.6047 174.9408 63 F 4.8330 8.2873 121.8822 55.6777 41.3478 174.9767 64 V 4.7458 8.8266 124.8108 60.9603 34.1147 173.7050 65 E 4.9172 9.1154 129.5266 55.1282 31.1768 174.5825 66 V 4.6565 8.9549 127.8738 61.2900 33.1306 174.8596 67 K 4.6722 8.8903 128.6104 54.0744 35.6599 174.9849 68 A 4.5320 8.6650 129.0981 51.9314 18.6582 177.3435 69 R 3.8902 8.6986 124.0193 56.3300 31.2453 178.1500 *76 A 4.4533 8.5300 125.9590 51.4327 19.4744 179.4800 77 Y 4.4469 8.6214 113.9912 58.3872 41.4894 172.2568 78 A 4.2122 6.7190 129.1246 50.2482 21.9800 175.8465 79 V 3.8339 7.9971 123.5499 60.8387 32.7814 176.9330 80 T 3.9411 8.1614 114.3493 60.9743 70.6433 173.5408 81 P 4.0373 0.0000 0.0000 65.8595 31.3512 178.8997 82 R 3.7991 7.8076 116.7150 59.6372 30.0376 178.4976 83 Q 3.9908 8.1417 117.8537 58.8950 28.5841 178.6434 84 Q 3.3719 8.0687 119.4652 58.8441 28.6919 178.8641 85 S 3.9977 8.0525 114.1269 61.6201 62.3722 176.5623 86 R 4.1364 8.0240 120.5836 59.2818 29.8318 179.1301 87 I 3.8783 8.1917 120.1491 64.2044 37.0912 178.6510 88 V 3.5698 8.2049 119.3733 65.9113 31.4246 177.9275 89 A 3.9956 8.1293 120.2950 55.1906 18.2124 179.5337 90 A 4.1366 8.3354 119.1137 55.1371 18.4999 179.6096 91 A 3.3889 8.4403 119.7916 55.0732 18.3676 179.3223 92 E 3.9115 8.3976 117.5649 59.5329 29.4869 178.9603 93 A 4.0977 7.7743 118.8469 54.8527 18.7987 179.1459 94 W 4.0377 8.5610 126.8344 60.7123 30.9381 178.0536 95 L 4.2359 8.8442 119.5994 58.0932 40.8796 179.8091 96 S 4.2097 8.0187 113.0275 60.9634 63.0015 175.8216 97 R 4.3518 7.5211 118.6674 55.7797 31.6973 176.4887 98 H 4.6856 7.3664 115.8045 52.4339 29.0924 171.9087 99 P 4.2316 0.0000 0.0000 65.3354 31.7894 178.6151 100 E 3.8991 8.1516 114.7700 58.8790 29.1993 177.2161 101 H 5.0031 8.3969 114.0483 54.5829 29.2624 175.0645 102 A 3.8979 8.1302 122.1389 54.1606 18.5939 177.7831 *104 S 4.3617 7.7386 112.7847 58.5899 65.0592 172.7729 105 E 4.2197 8.8128 123.4722 56.4152 30.3903 175.4786 106 L 5.1291 8.5235 126.3578 53.1392 44.2790 175.7881 107 R 4.6248 8.4560 121.9490 54.7235 34.2744 173.3949 108 F 4.9595 8.6797 123.5516 55.8515 41.3599 174.3904 109 D 5.5619 9.2613 122.8693 52.3849 45.0511 174.6678 110 A 5.3426 8.9786 121.1445 50.2964 22.8248 175.1939 111 I 4.7729 8.5881 120.6561 59.4499 40.7035 174.5650 112 L 4.8013 8.7669 127.7103 53.3599 43.7194 175.5512 113 I 4.6223 8.8707 125.1870 59.6335 39.0335 174.6703 114 A 4.9512 8.3084 127.8249 49.2767 21.7743 174.2525 115 P 4.3268 0.0000 0.0000 64.8891 31.7677 177.2290 116 N 5.0225 7.5918 115.3599 52.3420 39.3035 172.7842 117 T 4.3709 7.3479 108.7141 60.6947 70.4923 172.1449 118 A 4.2019 8.2522 127.3724 51.0606 19.0376 175.7132 119 P 4.2809 0.0000 0.0000 63.0315 32.2827 175.9016 120 R 4.2802 8.4974 124.1179 54.9670 31.7504 174.2300 121 H 4.9536 8.6588 127.1128 55.3355 31.0119 174.9665 122 L 4.7158 9.1399 127.7021 51.7658 41.7595 173.2851 123 P 4.4659 0.0000 0.0000 62.9431 32.2050 176.6895 124 G 3.8912 9.0239 110.4210 46.3684 0.0000 174.7976 125 A 4.2623 8.2484 123.8987 54.2662 18.8664 178.4914 126 F 5.0247 7.4925 107.8508 55.1807 41.1104 173.1169 127 D 4.7278 8.8442 120.9002 53.0941 41.8129 176.0319 128 A 4.7310 8.4476 129.6141 52.0384 19.6260 175.8476 129 T 4.2186 7.7348 113.5521 62.6793 68.1431 172.8498 130 P 4.4878 0.0000 0.0000 62.9845 31.6675 175.5669 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 23 S 8.19 4.37 0.00 3.87 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 24 A 7.98 3.78 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.48 3.84 0.00 2.05 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 2.38 2.37 0.00 26 A 7.92 4.01 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.33 4.04 0.00 4.05 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 28 A 8.12 3.93 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 29 A 8.10 3.90 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 30 D 8.34 4.28 0.00 3.02 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 31 Y 8.22 4.05 0.00 3.08 3.17 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 32 L 8.24 3.84 0.00 1.77 1.51 0.61 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.43 4.56 0.00 2.13 1.99 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 2.47 2.36 0.00 34 R 7.89 3.98 0.00 1.79 1.89 0.00 3.12 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 35 Q 7.39 4.38 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.61 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 36 G 7.95 3.85 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 0.00 37 Y 8.13 4.57 0.00 2.94 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 38 R 8.89 4.79 0.00 1.85 1.78 0.00 3.11 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 39 I 8.33 4.48 1.88 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 1.34 0.94 0.96 0.00 0.00 40 L 9.13 4.60 0.00 1.52 1.92 1.02 0.95 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 41 A 7.57 4.79 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 42 R 8.40 4.87 0.00 1.81 1.84 0.00 3.39 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 43 R 8.92 3.80 0.00 1.93 2.00 0.00 3.18 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 44 F 8.70 4.52 0.00 3.16 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 45 K 7.81 4.61 0.00 1.55 1.53 0.00 1.71 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.27 7.81 46 T 8.13 4.53 4.10 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 1.32 0.00 0.00 47 R 8.69 3.86 0.00 1.78 1.95 0.00 3.30 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 48 C 7.75 4.57 0.00 3.00 2.93 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 49 G 7.37 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 50 E 8.36 5.21 0.00 2.07 1.88 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 2.22 2.30 0.00 51 I 8.80 4.70 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.08 1.10 0.00 0.00 52 D 9.12 4.46 0.00 2.84 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 53 L 8.25 5.17 0.00 1.46 1.39 0.89 0.69 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 54 V 8.71 4.43 1.63 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 -0.38 0.00 0.00 0.37 0.00 0.00 55 A 8.42 5.16 1.01 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 56 Q 9.26 4.92 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 57 R 8.39 4.46 0.00 0.94 1.19 0.00 2.86 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.36 0.00 58 D 8.86 4.32 0.00 2.80 2.23 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 0.00 59 A 8.47 4.49 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 60 L 7.66 5.10 0.00 1.63 1.60 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 V 9.01 4.50 1.68 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 -0.17 0.00 0.00 0.73 0.00 0.00 62 A 8.62 4.71 1.05 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 0.00 0.00 63 F 8.29 4.83 0.00 2.47 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 64 V 8.83 4.75 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 0.87 0.00 0.00 0.73 0.00 0.00 65 E 9.12 4.92 0.00 2.29 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 2.34 0.00 66 V 8.95 4.66 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 0.78 0.00 0.00 0.90 0.00 0.00 67 K 8.89 4.67 0.00 1.74 1.36 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.24 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.30 1.41 7.81 68 A 8.66 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.70 3.89 0.00 1.70 1.80 0.00 3.29 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 *76 A 8.53 4.45 1.07 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 77 Y 8.62 4.45 0.00 2.92 2.86 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 78 A 6.72 4.21 0.98 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 0.00 0.00 79 V 8.00 3.83 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 0.47 0.00 0.00 0.82 0.00 0.00 80 T 8.16 3.94 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 1.16 0.00 0.00 81 P 0.00 4.04 0.00 2.09 2.07 0.00 3.51 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 82 R 7.81 3.80 0.00 1.83 1.88 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 83 Q 8.14 3.99 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.87 0.00 84 Q 8.07 3.37 0.00 1.83 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.99 0.00 85 S 8.05 4.00 0.00 3.80 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 86 R 8.02 4.14 0.00 2.03 2.09 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 87 I 8.19 3.88 2.15 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 1.24 0.00 0.00 88 V 8.20 3.57 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 0.97 0.00 0.00 0.74 0.00 0.00 89 A 8.13 4.00 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 90 A 8.34 4.14 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 0.00 0.00 91 A 8.44 3.39 0.63 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 0.00 0.00 92 E 8.40 3.91 0.00 2.10 2.21 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 2.37 2.39 0.00 93 A 7.77 4.10 1.57 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 0.00 0.00 94 W 8.56 4.04 0.00 3.22 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 95 L 8.84 4.24 0.00 1.89 1.88 1.15 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.02 4.21 0.00 4.07 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 97 R 7.52 4.35 0.00 1.73 1.80 0.00 3.22 0.00 0.00 3.29 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 98 H 7.37 4.69 0.00 2.52 2.94 0.00 5.84 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 99 P 0.00 4.23 0.00 2.13 2.09 0.00 3.49 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 2.06 2.04 0.00 100 E 8.15 3.90 0.00 1.95 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 1.89 2.10 0.00 101 H 8.40 5.00 0.00 3.44 3.53 0.00 5.65 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 0.00 102 A 8.13 3.90 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 *104 S 7.74 4.36 0.00 3.91 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 0.00 105 E 8.81 4.22 0.00 2.06 1.80 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 2.29 2.30 0.00 106 L 8.52 5.13 0.00 1.65 1.60 1.15 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.46 4.62 0.00 1.75 1.55 0.00 3.03 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 108 F 8.68 4.96 0.00 2.20 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 0.00 0.00 0.00 109 D 9.26 5.56 0.00 2.50 2.54 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 A 8.98 5.34 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 0.00 111 I 8.59 4.77 1.76 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 1.11 0.74 0.69 0.00 0.00 112 L 8.77 4.80 0.00 1.42 1.43 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.87 4.62 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.99 0.87 0.00 0.00 114 A 8.31 4.95 1.15 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 0.00 0.00 115 P 0.00 4.33 0.00 2.04 2.11 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 116 N 7.59 5.02 0.00 2.60 2.72 0.00 0.00 6.70 7.70 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 0.00 117 T 7.35 4.37 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 1.17 0.00 0.00 118 A 8.25 4.20 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 0.00 119 P 0.00 4.28 0.00 1.00 1.67 0.00 3.59 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 120 R 8.50 4.28 0.00 1.79 1.67 0.00 3.04 0.00 0.00 3.06 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 121 H 8.66 4.95 0.00 3.14 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.14 4.72 0.00 1.61 1.63 0.93 1.03 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 0.00 123 P 0.00 4.47 0.00 2.03 1.94 0.00 3.88 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 124 G 9.02 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 0.00 0.00 0.00 0.00 125 A 8.25 4.26 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 0.00 126 F 7.49 5.02 0.00 3.03 2.92 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 0.00 127 D 8.84 4.73 0.00 2.69 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 0.00 128 A 8.45 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.73 4.22 4.57 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 1.28 0.00 0.00 130 P 0.00 4.49 0.00 2.24 2.04 0.00 3.89 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 1.97 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.