NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 D 4.7393 8.3493 119.5685 52.9978 41.3290 175.2031 -2 P 4.6157 0.0000 0.0000 64.0703 31.5888 174.1754 -1 F 4.8914 7.8375 116.9795 57.8930 40.2498 177.4650 0 T 4.3634 7.5588 111.9540 59.3438 68.2573 172.5042 -1 L 4.6114 7.6975 118.4795 55.2930 43.0498 179.2650 0 H 4.7434 7.8288 116.5540 52.5438 27.4573 171.9043 4 I 4.3051 8.6397 123.4557 58.9871 40.4664 173.6507 5 E 4.5157 8.6358 130.8358 55.5302 30.3217 175.2303 6 F 5.3874 9.1677 125.7481 55.9616 42.7634 174.4344 7 I 5.3785 8.9781 122.1283 59.5281 39.4594 175.9240 8 T 3.7017 7.6924 116.8381 59.5932 71.2085 174.7482 9 D 4.3114 8.6079 119.9952 56.6496 39.1742 177.1708 10 L 4.2277 7.7721 116.6221 54.2979 41.6388 177.5343 11 G 3.8211 8.1675 107.2344 45.2227 0.0000 174.2408 12 A 3.9687 7.2908 123.1585 51.6999 18.9500 177.0855 13 K 4.3504 8.2423 122.5949 55.2618 32.4514 175.7056 14 V 4.3382 8.5029 127.8490 61.1968 34.1353 174.2164 15 T 4.8214 8.6107 125.1671 62.6913 69.8287 174.3256 16 V 4.4228 8.6704 126.7665 61.0101 33.8278 174.4933 17 D 4.9320 8.8456 128.1161 54.3202 41.4830 175.7420 18 V 4.3932 8.1027 122.4525 60.9130 33.5783 175.1497 19 E 4.0425 9.1506 128.3870 59.0536 30.0606 176.4115 20 S 4.6647 7.6655 110.0422 57.3392 65.2762 176.3647 21 A 3.9752 8.4821 124.1572 55.6499 17.9528 178.8954 22 D 4.5882 8.0253 111.8758 53.6443 39.6403 176.7097 23 K 4.5329 8.1794 117.1615 55.8076 33.9331 177.5868 24 L 3.9561 8.1074 122.0346 58.5434 41.8443 178.8015 25 L 4.0524 7.9534 117.9805 57.9987 41.6030 179.0855 26 D 4.3698 8.1312 118.2197 57.3676 40.8453 179.0500 27 V 3.6742 7.8003 118.0191 66.1951 31.7423 177.7489 28 Q 4.2668 8.5423 118.3989 59.5981 28.6405 180.0875 29 R 3.9176 8.4521 119.0029 59.1308 29.8463 178.6003 30 Q 3.6976 7.9092 118.3498 59.7280 29.4025 178.0921 31 Y 3.4128 7.9424 117.0956 59.9335 37.7722 178.3783 32 G 4.2446 8.0313 110.9781 47.9825 0.0000 176.4710 33 R 4.1084 7.7050 121.2914 59.9797 29.4401 179.5742 34 L 4.5857 7.2005 114.8673 55.0612 42.0977 177.3467 35 G 4.0826 7.9984 107.9889 44.6690 0.0000 173.9704 36 W 4.9400 7.9122 119.1468 56.7701 30.0537 175.4919 37 T 5.1252 9.1292 112.0936 60.1939 72.4339 172.5895 38 S 4.7066 8.5292 116.0742 57.8770 65.0988 174.7869 39 G 3.8798 8.9705 116.1312 45.0060 0.0000 171.7653 40 E 4.6275 8.2148 117.1099 54.2785 31.4555 176.1933 41 V 3.2334 8.0417 120.9885 61.8227 32.2555 174.3622 42 P 4.2769 0.0000 0.0000 61.8555 31.9171 176.1648 43 V 3.6074 8.2646 115.1137 63.3416 31.6863 176.3481 44 G 4.1573 9.1150 113.0383 46.3179 0.0000 173.5126 45 G 3.9241 8.1072 108.3381 44.1454 0.0000 174.0584 46 Y 4.0073 8.1112 117.0008 58.1061 39.2645 175.7718 47 Q 4.5051 8.0445 120.4141 54.3666 30.9702 174.9350 48 F 5.2889 8.1138 122.3998 54.4525 42.8193 173.5739 49 P 4.7779 0.0000 0.0000 62.4462 32.3737 177.3413 50 L 4.2145 8.6145 123.4912 57.9664 41.8465 179.2067 51 E 4.0933 8.1844 116.9507 59.1206 29.5726 178.5334 52 N 4.5014 8.0441 116.6613 55.8579 38.3029 176.6554 53 E 3.9564 7.6631 121.1920 58.6431 29.8046 177.4363 54 P 4.5428 0.0000 0.0000 64.2809 32.8222 176.4232 55 D 4.7477 8.5064 117.6036 51.6318 39.3201 174.2503 56 F 4.5066 7.6773 121.4261 56.6496 41.0702 174.3565 57 D 4.1979 7.5271 127.8318 53.9233 40.3342 176.6352 58 W 4.3310 8.5505 127.9274 58.7387 29.2258 178.1318 59 S 4.3084 8.2092 114.0021 60.6370 62.3133 176.1422 60 L 4.0793 7.5072 122.5984 56.6610 41.2061 177.7367 61 I 4.4597 7.5442 109.8291 60.4475 37.8673 175.7133 62 G 3.9271 8.6450 106.6422 46.4391 0.0000 173.2923 63 A 5.8784 8.4063 119.9947 49.1501 21.9139 177.0420 64 R 4.7684 8.3289 116.7902 54.6957 33.2746 175.3559 65 K 4.4014 8.6485 124.6377 55.4426 32.6605 176.0422 66 W 5.1112 8.3906 132.2570 56.3971 33.8312 173.6532 67 T 4.2209 8.6405 123.8410 61.1168 68.9195 174.6860 68 N 4.2164 7.3432 124.4083 50.5590 39.1791 172.6869 69 P 4.2206 0.0000 0.0000 64.1433 32.0448 178.0223 70 E 3.8249 8.7938 120.5937 55.7518 27.2917 174.4039 71 G 4.0295 8.2361 101.9599 44.0541 0.0000 170.5500 72 E 4.5402 8.5253 123.0453 54.4834 32.6915 174.9284 73 E 4.2318 8.3889 125.0018 55.4440 31.4085 175.7333 *75 I 4.0074 8.0431 114.3419 60.9279 39.4632 174.1831 76 L 5.1942 8.8778 126.7655 53.9050 43.6503 175.7241 77 H 4.8527 9.3578 123.5763 55.9331 32.5586 173.4853 78 R 3.5736 9.5713 128.2370 57.5094 27.2996 177.2280 79 G 3.8576 8.2836 101.6141 46.0877 0.0000 172.8611 80 H 4.9285 7.9794 116.3972 53.5649 31.3235 172.9004 81 A 5.2271 8.4015 125.4997 51.0647 20.3063 176.0654 82 Y 4.8588 8.6778 122.8525 56.7579 41.3725 176.0921 83 R 4.7573 8.4461 121.6034 54.8561 33.1894 175.2902 84 R 4.5784 8.5715 123.7958 55.6784 31.1901 176.0358 85 R 4.5993 8.8442 122.9450 54.9537 32.5627 174.8095 86 E 4.7229 8.8826 123.6198 56.0729 30.7499 175.8038 87 L 4.6120 8.5815 122.2650 54.6477 45.8811 177.5079 88 E 4.2379 8.2772 115.2573 55.4728 30.9568 175.9310 *90 V 3.8557 8.2284 127.4021 62.9306 32.3763 174.5293 91 D 4.8734 7.9776 125.2375 53.2443 44.1311 170.8835 92 S 5.3083 8.4193 114.8458 57.3154 66.8096 173.2368 93 R 5.0895 8.8188 122.3340 54.9760 34.1366 173.5623 94 K 5.8394 9.3388 125.5881 53.7644 34.9537 175.7455 *96 K 4.4080 8.5953 125.4203 56.9688 34.4336 175.6876 97 L 4.4153 8.2133 120.1928 53.6065 41.5200 175.2397 98 P 4.7080 0.0000 0.0000 61.7971 34.0770 176.2606 99 A 4.7558 8.1073 128.5495 53.4161 17.2963 177.2870 100 A 4.2320 8.4943 122.6640 52.0059 20.3237 179.9779 101 V 3.7900 8.9389 120.0777 61.1537 31.1808 167.3265 102 K 4.7888 8.1469 122.6280 54.1233 35.9766 174.4380 *103 Y 4.6369 8.7589 127.8390 57.0558 44.4730 174.4135 104 S 4.4077 9.1901 114.9103 58.7298 64.1605 177.3166 105 R 4.3437 8.3906 118.0651 57.3564 28.5787 177.0484 106 G 4.0409 10.4226 112.7921 44.5242 0.0000 171.5978 107 A 4.8110 7.4528 121.0152 51.3918 22.2362 176.2417 108 K 4.7804 8.7999 123.5890 53.2472 34.8258 176.2235 109 N 5.2775 8.6552 122.2246 50.6531 39.7573 175.7680 110 T 3.8517 8.6209 121.5599 67.2145 69.7526 175.1398 111 D 5.2079 8.1456 119.6316 53.0592 43.9935 174.5977 112 P 5.1910 0.0000 0.0000 60.0535 33.9915 174.2945 113 E 5.5403 8.2251 118.2972 54.1019 29.1091 175.1947 114 H 4.5290 8.2069 119.5059 56.1520 30.0827 178.1157 115 V 3.9658 7.7844 120.2225 61.2840 32.1225 174.3313 116 R 4.5744 8.1572 123.5359 55.2201 33.6266 174.3324 117 E 4.1223 8.6664 115.2736 55.8821 29.9479 171.8513 118 K 3.9420 8.6933 126.8492 55.0139 31.0840 173.6843 119 A 3.6666 8.5997 127.3143 53.1526 17.4911 177.8232 120 D 3.9345 8.1975 117.4139 54.9249 39.6510 172.2530 121 G 3.9328 8.1370 104.2197 47.3865 0.0000 175.3198 122 E 3.8700 8.1356 118.4635 59.5365 29.2994 178.7534 123 F 4.4293 7.4420 118.0398 59.0969 39.1198 176.1781 124 E 4.5268 7.9669 119.6164 56.0663 30.7972 182.9616 *125 Y 4.0147 8.0732 118.2565 61.4844 35.6031 177.1374 126 V 3.6638 6.8382 125.3221 63.0848 32.5128 173.8407 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 D 8.35 4.74 0.00 2.71 2.58 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 -2 P 0.00 4.62 0.00 1.85 1.94 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.69 0.00 -1 F 7.84 4.89 0.00 3.01 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 0 T 7.56 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 1.28 0.00 0.00 -1 L 7.70 4.61 0.00 1.49 1.62 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.83 4.74 0.00 3.36 3.01 0.00 7.83 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.64 4.31 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 1.45 0.89 0.00 0.00 5 E 8.64 4.52 0.00 1.96 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 2.23 2.31 0.00 6 F 9.17 5.39 0.00 3.14 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 7 I 8.98 5.38 1.90 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 0.95 1.84 0.90 0.00 0.00 8 T 7.69 3.70 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 -0.38 0.00 0.00 9 D 8.61 4.31 0.00 2.84 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 10 L 7.77 4.23 0.00 1.57 1.68 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.17 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 12 A 7.29 3.97 1.11 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 13 K 8.24 4.35 0.00 1.74 1.73 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.40 7.81 14 V 8.50 4.34 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 1.05 0.00 0.00 0.74 0.00 0.00 15 T 8.61 4.82 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 16 V 8.67 4.42 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 0.97 0.00 0.00 0.75 0.00 0.00 17 D 8.85 4.93 0.00 2.65 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 18 V 8.10 4.39 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 0.84 0.00 0.00 1.01 0.00 0.00 19 E 9.15 4.04 0.00 1.98 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 2.29 2.30 0.00 20 S 7.67 4.66 0.00 3.98 3.90 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 21 A 8.48 3.98 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 22 D 8.03 4.59 0.00 2.80 2.77 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 23 K 8.18 4.53 0.00 1.94 1.83 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.33 7.81 24 L 8.11 3.96 0.00 1.86 1.75 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.95 4.05 0.00 1.79 1.72 1.05 1.09 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 26 D 8.13 4.37 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 27 V 7.80 3.67 2.36 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 1.32 0.00 0.00 1.10 0.00 0.00 28 Q 8.54 4.27 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 29 R 8.45 3.92 0.00 1.95 1.92 0.00 3.10 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 30 Q 7.91 3.70 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 1.44 2.01 0.00 31 Y 7.94 3.41 0.00 2.44 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 0.00 0.00 0.00 32 G 8.03 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 0.00 0.00 0.00 0.00 33 R 7.70 4.11 0.00 1.95 1.86 0.00 3.26 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 1.58 1.54 0.00 34 L 7.20 4.59 0.00 1.16 1.57 0.41 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.00 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 0.00 0.00 0.00 36 W 7.91 4.94 0.00 2.96 2.99 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 9.13 5.13 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 1.39 0.00 0.00 38 S 8.53 4.71 0.00 3.56 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 39 G 8.97 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 40 E 8.21 4.63 0.00 1.94 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 2.24 2.22 0.00 41 V 8.04 3.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.99 0.00 0.00 42 P 0.00 4.28 0.00 2.03 1.81 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 43 V 8.26 3.61 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 0.65 0.00 0.00 0.89 0.00 0.00 44 G 9.12 4.16 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 0.00 45 G 8.11 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 46 Y 8.11 4.01 0.00 2.72 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 0.00 0.00 0.00 47 Q 8.04 4.51 0.00 1.74 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 48 F 8.11 5.29 0.00 2.70 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 49 P 0.00 4.78 0.00 2.30 2.40 0.00 3.93 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 50 L 8.61 4.21 0.00 1.99 1.74 0.94 1.17 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 51 E 8.18 4.09 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 2.33 2.43 0.00 52 N 8.04 4.50 0.00 3.01 2.89 0.00 0.00 6.41 7.33 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 53 E 7.66 3.96 0.00 2.09 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 2.40 2.45 0.00 54 P 0.00 4.54 0.00 2.09 2.14 0.00 3.87 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 2.05 2.17 0.00 55 D 8.51 4.75 0.00 2.74 2.77 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 56 F 7.68 4.51 0.00 2.51 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 0.00 0.00 0.00 0.00 57 D 7.53 4.20 0.00 2.57 2.16 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 58 W 8.55 4.33 0.00 3.47 3.37 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 59 S 8.21 4.31 0.00 4.04 4.13 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 60 L 7.51 4.08 0.00 1.34 1.61 0.65 0.73 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 61 I 7.54 4.46 1.91 0.00 0.00 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 1.52 0.94 0.46 0.00 0.00 62 G 8.64 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 63 A 8.41 5.88 1.48 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 0.00 0.00 64 R 8.33 4.77 0.00 1.87 2.01 0.00 2.98 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 65 K 8.65 4.40 0.00 1.56 1.64 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.01 7.81 66 W 8.39 5.11 0.00 3.18 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 67 T 8.64 4.22 4.14 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 0.00 0.00 1.05 0.00 0.00 68 N 7.34 4.22 0.00 2.42 1.65 0.00 0.00 6.30 7.75 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 69 P 0.00 4.22 0.00 2.06 2.05 0.00 3.71 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 2.09 2.20 0.00 70 E 8.79 3.82 0.00 2.08 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 0.00 2.15 2.26 0.00 71 G 8.24 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 72 E 8.53 4.54 0.00 1.80 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 0.00 2.09 2.16 0.00 73 E 8.39 4.23 0.00 1.84 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 2.22 2.23 0.00 *75 I 8.04 4.01 1.13 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.63 0.26 0.00 0.00 76 L 8.88 5.19 0.00 1.65 1.64 0.25 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 H 9.36 4.85 0.00 3.23 3.33 0.00 5.73 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 9.57 3.57 0.00 2.09 2.00 0.00 3.44 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 79 G 8.28 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 0.00 0.00 0.00 80 H 7.98 4.93 0.00 3.46 2.84 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.40 5.23 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 82 Y 8.68 4.86 0.00 2.81 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 83 R 8.45 4.76 0.00 1.47 1.75 0.00 3.24 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 1.52 1.15 0.00 84 R 8.57 4.58 0.00 1.84 1.88 0.00 3.24 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 85 R 8.84 4.60 0.00 1.90 2.00 0.00 2.84 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 86 E 8.88 4.72 0.00 1.89 1.94 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 2.33 2.36 0.00 87 L 8.58 4.61 0.00 1.71 1.51 0.92 0.61 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 88 E 8.28 4.24 0.00 1.94 1.72 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 2.13 1.84 0.00 *90 V 8.23 3.86 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 0.90 0.00 0.00 0.95 0.00 0.00 91 D 7.98 4.87 0.00 2.35 2.44 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 0.00 92 S 8.42 5.31 0.00 3.75 3.78 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 93 R 8.82 5.09 0.00 1.85 1.84 0.00 3.07 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 1.56 1.64 0.00 94 K 9.34 5.84 0.00 1.75 1.76 0.00 1.81 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.50 0.00 0.00 0.00 0.00 1.51 1.65 7.81 *96 K 8.60 4.41 0.00 1.56 1.47 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.27 7.81 97 L 8.21 4.42 0.00 1.69 1.49 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.71 0.00 2.02 2.04 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 99 A 8.11 4.76 1.24 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 0.00 0.00 100 A 8.49 4.23 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 0.00 101 V 8.94 3.79 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 0.69 0.00 0.00 0.93 0.00 0.00 102 K 8.15 4.79 0.00 1.72 1.57 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 0.95 7.81 *103 Y 8.76 4.64 0.00 2.28 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 0.00 0.00 0.00 104 S 9.19 4.41 0.00 3.62 3.69 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 0.00 105 R 8.39 4.34 0.00 1.82 1.79 0.00 3.27 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.00 106 G 10.42 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 0.00 107 A 7.45 4.81 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 0.00 108 K 8.80 4.78 0.00 1.52 1.56 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.21 7.81 109 N 8.66 5.28 0.00 2.84 2.99 0.00 0.00 6.28 7.22 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 0.00 110 T 8.62 3.85 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 1.07 0.00 0.00 111 D 8.15 5.21 0.00 2.32 2.47 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 0.00 112 P 0.00 5.19 0.00 2.14 2.13 0.00 3.55 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 113 E 8.23 5.54 0.00 1.89 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 2.21 2.08 0.00 114 H 8.21 4.53 0.00 3.04 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.78 3.97 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 0.71 0.00 0.00 0.93 0.00 0.00 116 R 8.16 4.57 0.00 1.79 1.89 0.00 3.36 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 117 E 8.67 4.12 0.00 1.99 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 0.00 2.23 1.86 0.00 118 K 8.69 3.94 0.00 1.72 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 119 A 8.60 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.20 3.93 0.00 2.78 2.65 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 0.00 0.00 0.00 0.00 121 G 8.14 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 0.00 122 E 8.14 3.87 0.00 2.04 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 1.91 1.58 0.00 123 F 7.44 4.43 0.00 3.11 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 0.00 124 E 7.97 4.53 0.00 1.98 1.73 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 2.26 2.12 0.00 *125 Y 8.07 4.01 0.00 2.28 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 0.00 0.00 0.00 126 V 6.84 3.66 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 0.85 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.