NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 5.4990 8.2032 119.7510 55.7241 31.3693 174.0164 2 L 4.2354 8.7628 125.6257 57.3824 40.9570 174.8397 3 V 3.7449 8.8989 119.3381 66.0762 32.0213 177.6513 4 Q 4.2320 7.9836 117.4166 58.6167 28.6351 178.0215 5 F 4.5579 8.5167 122.0455 61.3962 39.5138 176.7245 6 N 4.4244 8.4884 116.7504 56.3831 38.8033 177.0528 7 G 3.8462 7.8852 106.1035 47.4199 0.0000 175.9617 8 M 4.1014 7.8917 120.9281 58.6081 32.0007 178.7172 9 I 3.6190 7.4973 119.8727 64.5550 36.9897 178.7812 10 R 3.7554 7.7210 117.4304 58.9446 29.5781 178.1783 11 C 4.4587 8.0646 118.7914 60.0225 43.5869 175.7657 12 T 4.0897 8.1856 110.1552 63.0532 69.2685 174.2338 13 I 4.4625 8.4350 122.7473 58.2698 38.4432 173.8074 14 P 4.2520 0.0000 0.0000 65.4480 31.3550 178.4812 15 G 3.7335 8.0005 104.3956 46.7838 0.0000 173.5451 16 S 4.6791 7.5612 114.4634 57.6424 64.6770 174.5719 17 I 4.4047 8.3277 122.9627 58.7948 36.8874 174.5147 18 P 4.3482 0.0000 0.0000 65.4062 31.7590 178.6555 19 W 4.5700 8.5318 113.6249 57.9844 28.2449 176.0095 20 W 4.4882 7.5052 127.7332 59.0625 31.7102 176.4658 21 D 4.0209 7.8508 116.2775 56.7217 40.2543 176.7872 22 Y 4.6058 7.5920 114.9555 57.7870 38.0954 176.3428 23 S 4.7060 7.6927 112.6416 58.3042 63.9235 173.9636 24 D 4.6822 7.1478 116.8789 54.1559 42.6482 172.9384 25 Y 4.7544 8.5222 122.7644 56.1876 42.4303 174.8606 26 G 4.2362 8.2734 116.3041 46.4598 0.0000 173.6915 27 C 4.3260 9.0240 115.3716 57.8753 41.0128 174.3820 28 Y 4.4460 8.6572 114.6677 57.6418 39.4004 175.0611 29 C 4.5577 8.5350 118.6134 59.4146 39.6431 172.3159 30 G 4.3503 9.1086 109.9451 42.5267 0.0000 172.0111 31 S 3.9700 8.5712 114.0861 59.9453 62.7118 175.4441 32 G 3.9041 8.6132 116.6359 46.8852 0.0000 172.4713 33 G 4.8770 8.1168 113.6081 45.9512 0.0000 171.4850 34 S 4.6233 7.2965 115.1024 58.8671 65.4426 178.3413 35 G 3.8410 8.8163 107.3105 46.2765 0.0000 173.1375 36 T 4.6474 8.2180 116.9425 59.1267 68.7428 171.7344 37 P 4.4581 0.0000 0.0000 63.1903 31.5802 177.5045 38 V 3.9553 8.7474 117.7343 64.0196 32.3131 175.9262 39 D 4.4384 7.2662 117.3586 51.8019 41.1940 175.5364 40 E 4.1253 9.0573 115.7842 59.3952 29.9392 179.0728 41 L 3.9345 7.8755 119.8890 58.0982 42.2440 177.9097 42 D 4.5002 9.0228 118.4207 57.7940 41.1051 178.4622 43 R 3.9269 7.7498 117.3903 59.6571 30.0144 177.7251 44 C 4.3607 8.2453 116.4012 60.3283 41.1623 175.3318 45 C 4.3760 8.2805 117.4083 59.1995 35.0587 176.0193 46 Q 3.3765 7.7771 121.3408 58.8906 28.7160 177.8112 47 V 3.4801 7.7289 119.2946 66.2196 31.5199 177.3171 48 H 3.9144 8.2158 117.7981 59.3173 29.6830 176.7438 49 D 4.3027 8.1992 120.6374 57.6606 40.6342 178.7640 50 N 4.3654 8.0126 116.6126 56.3603 38.3741 176.5023 51 C 4.3487 8.2797 119.9569 60.2080 42.9718 175.4299 52 Y 3.8593 8.0764 118.1537 61.2924 37.1856 178.4487 53 T 4.3879 7.8365 116.9577 65.6189 68.3189 176.3327 54 Q 4.2205 8.4369 120.0231 57.9797 28.7467 177.6525 55 A 4.2210 7.7915 121.4852 53.9409 18.5742 178.4262 56 Q 4.4167 7.4663 114.6118 56.1824 28.7344 176.9467 57 Q 4.6365 7.5480 115.1983 55.3981 30.7002 175.9379 58 L 4.3051 7.1775 118.0935 53.5302 42.6392 176.6734 59 T 3.7691 8.3292 111.4806 63.3427 69.1728 174.7428 60 E 3.5847 8.8290 118.6810 57.3286 27.3753 173.5056 61 C 4.4941 7.6674 122.6212 54.8149 47.6206 172.9129 *67 S 4.5889 8.7754 119.6757 57.3126 62.0241 171.9781 68 P 3.6964 0.0000 0.0000 65.8176 31.0293 177.6866 69 Y 4.3406 7.2647 116.3368 60.8299 38.1331 177.7273 70 S 3.9687 7.5731 111.2449 59.7842 63.8911 173.1163 71 K 3.6887 7.7482 122.8313 56.1524 31.5843 175.6753 72 R 4.1343 8.3773 126.9869 55.9203 30.7072 174.7964 73 Y 5.0571 7.8930 122.1206 55.0837 41.2584 174.2804 74 S 5.1644 9.9967 115.5716 56.9500 65.1417 172.9285 75 Y 5.2801 8.3424 120.2229 56.3339 41.0036 172.9037 76 D 4.7173 9.4847 119.3546 52.5976 45.2413 173.8692 77 C 4.9874 8.6667 122.3536 55.0287 39.8861 172.9633 78 S 4.5048 8.9981 122.9528 56.7177 62.5918 172.8704 79 E 3.6986 9.6360 119.7118 57.3172 27.4521 175.8035 80 G 3.9860 8.2844 110.2303 46.0237 0.0000 170.7755 81 T 4.6460 7.5522 110.5257 59.7838 71.1897 173.2945 82 L 5.2963 8.5219 125.2218 53.7527 43.7690 176.0907 83 T 4.5192 8.6773 119.1407 62.1257 72.3602 172.6799 84 C 5.0677 8.9432 125.0366 55.5627 40.1998 173.5632 85 K 3.9500 8.3389 123.6992 55.8948 32.5335 177.6256 86 A 4.5667 7.9439 124.0038 51.0591 17.5318 176.5554 87 D 4.7643 7.5663 118.0026 54.4751 46.8721 177.0558 88 N 4.3701 8.3040 116.3075 53.7147 39.2081 175.4421 89 D 4.7350 8.4265 122.8151 52.4431 42.8790 175.9500 90 E 3.8623 8.7016 118.4016 60.1495 29.5375 179.9281 91 C 4.2972 8.2203 117.4284 59.6385 41.8855 174.7857 92 A 4.0710 7.9095 121.7995 55.3274 17.8801 179.4042 93 A 3.8887 8.0366 118.9042 55.2579 18.4423 179.5092 94 F 3.9743 7.9009 118.9962 61.6510 39.6084 177.4698 95 V 3.3703 8.3700 118.0952 66.0244 31.1181 177.1864 96 C 2.7629 8.2990 118.7533 58.9500 42.9755 174.9845 97 D 4.0172 7.8346 119.7683 57.3593 40.8915 177.3689 98 C 3.9254 7.8471 117.1104 60.3699 37.4136 176.1083 99 D 3.7630 7.6146 119.6035 56.8040 40.3389 178.8523 100 R 3.7151 7.9282 119.6287 59.4132 30.1880 178.7662 101 V 3.4652 7.8695 118.0877 65.7318 31.3835 177.8601 102 A 3.6315 7.6901 119.8448 55.0644 18.1187 179.2437 103 A 3.3673 8.1535 119.8852 55.2099 18.1772 179.6477 104 I 3.7762 7.4013 109.6435 63.2297 38.2386 177.2965 105 C 4.3932 7.7586 120.9127 59.5066 37.7313 175.2408 106 F 4.1906 8.3432 119.5886 60.7249 38.3037 177.5199 107 A 4.1813 7.6708 118.7294 54.4783 18.1418 178.9183 108 G 3.8177 7.7952 102.0879 44.5150 0.0000 173.9976 109 A 4.5148 7.0681 123.3453 50.3439 19.8890 175.2224 110 P 4.4396 0.0000 0.0000 62.4478 32.3397 175.5819 111 Y 4.2288 8.5609 122.6578 56.7191 38.6707 174.8848 112 N 4.7117 9.3687 127.5338 51.4479 38.4109 175.9375 113 K 3.8721 8.5987 124.4809 59.4776 32.3087 179.2684 114 E 3.9417 7.9654 116.3000 58.4155 29.7254 177.0140 115 N 4.3909 8.1382 116.2841 52.6556 38.6340 174.1076 116 I 4.0398 6.7716 120.0215 60.9877 38.5827 175.3271 117 N 4.3635 8.9329 125.5853 54.0316 37.6620 174.8575 *118 I 4.1599 7.1690 113.5950 59.0892 37.2570 178.4021 119 D 4.6399 8.2195 122.9425 53.3046 39.5047 176.6356 120 T 3.7853 8.4234 114.9064 64.7934 68.8994 177.6444 121 T 3.8253 7.4810 111.5820 63.3489 68.9703 174.0231 122 T 4.3756 7.8419 110.8317 62.7897 70.3460 175.5276 123 R 4.1644 7.7518 118.2976 57.0535 30.5735 175.8439 124 C 4.5197 7.8122 120.2330 56.9770 42.0351 173.6516 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 H 8.20 5.50 0.00 3.11 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.76 4.24 0.00 2.11 1.99 1.39 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.90 3.74 1.93 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 1.07 0.00 0.00 0.92 0.00 0.00 4 Q 7.98 4.23 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 5 F 8.52 4.56 0.00 3.32 3.40 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 6 N 8.49 4.42 0.00 3.20 3.11 0.00 0.00 7.07 7.73 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 7 G 7.89 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 8 M 7.89 4.10 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.04 0.00 9 I 7.50 3.62 1.74 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.49 0.87 0.00 0.00 10 R 7.72 3.76 0.00 2.12 2.05 0.00 3.40 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 11 C 8.06 4.46 0.00 3.30 3.35 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 12 T 8.19 4.09 4.21 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 1.25 0.00 0.00 13 I 8.43 4.46 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.10 0.94 0.00 0.00 14 P 0.00 4.25 0.00 2.04 2.13 0.00 3.68 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 2.04 2.10 0.00 15 G 8.00 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.56 4.68 0.00 4.06 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 17 I 8.33 4.40 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 0.28 0.00 0.00 18 P 0.00 4.35 0.00 2.66 2.14 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.20 0.00 19 W 8.53 4.57 0.00 3.67 3.47 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 20 W 7.51 4.49 0.00 1.80 2.40 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 21 D 7.85 4.02 0.00 1.88 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 0.00 0.00 0.00 22 Y 7.59 4.61 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.69 4.71 0.00 4.09 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 0.00 24 D 7.15 4.68 0.00 2.58 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 0.00 0.00 0.00 0.00 25 Y 8.52 4.75 0.00 2.82 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 26 G 8.27 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 27 C 9.02 4.33 0.00 2.59 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 28 Y 8.66 4.45 0.00 3.24 3.08 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 29 C 8.54 4.56 0.00 3.34 3.30 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 30 G 9.11 4.35 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 0.00 31 S 8.57 3.97 0.00 3.87 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 32 G 8.61 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 0.00 0.00 0.00 33 G 8.12 4.88 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 34 S 7.30 4.62 0.00 3.96 3.84 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 0.00 0.00 0.00 35 G 8.82 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.22 4.65 4.30 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 1.23 0.00 0.00 37 P 0.00 4.46 0.00 2.30 2.26 0.00 3.77 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 38 V 8.75 3.96 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 0.67 0.00 0.00 1.00 0.00 0.00 39 D 7.27 4.44 0.00 2.75 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 40 E 9.06 4.13 0.00 2.09 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 2.39 2.38 0.00 41 L 7.88 3.93 0.00 1.60 1.50 0.23 0.02 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 42 D 9.02 4.50 0.00 3.11 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 43 R 7.75 3.93 0.00 2.04 2.17 0.00 3.14 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 44 C 8.25 4.36 0.00 3.48 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.28 4.38 0.00 3.35 3.46 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 0.00 0.00 0.00 46 Q 7.78 3.38 0.00 1.26 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.89 0.00 0.00 0.00 0.00 0.00 2.05 1.41 0.00 47 V 7.73 3.48 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 0.88 0.00 0.00 0.91 0.00 0.00 48 H 8.22 3.91 0.00 3.27 3.36 0.00 5.65 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 49 D 8.20 4.30 0.00 3.02 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 50 N 8.01 4.37 0.00 2.73 2.86 0.00 0.00 6.71 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 51 C 8.28 4.35 0.00 3.05 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 52 Y 8.08 3.86 0.00 3.18 2.84 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 0.00 0.00 0.00 53 T 7.84 4.39 4.43 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 1.26 0.00 0.00 54 Q 8.44 4.22 0.00 2.48 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 55 A 7.79 4.22 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.47 4.42 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 57 Q 7.55 4.64 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 58 L 7.18 4.31 0.00 1.65 1.48 0.68 0.52 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 59 T 8.33 3.77 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 60 E 8.83 3.58 0.00 1.99 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 2.22 2.34 0.00 61 C 7.67 4.49 0.00 3.06 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 *67 S 8.78 4.59 0.00 3.93 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 68 P 0.00 3.70 0.00 0.49 1.00 0.00 3.54 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.55 0.00 69 Y 7.26 4.34 0.00 3.08 3.07 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 70 S 7.57 3.97 0.00 4.01 3.98 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 71 K 7.75 3.69 0.00 1.73 1.89 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.52 7.81 72 R 8.38 4.13 0.00 1.79 1.79 0.00 3.22 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 73 Y 7.89 5.06 0.00 3.24 3.06 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 74 S 10.00 5.16 0.00 3.92 4.09 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 75 Y 8.34 5.28 0.00 3.14 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 76 D 9.48 4.72 0.00 2.59 2.49 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 0.00 77 C 8.67 4.99 0.00 3.11 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 78 S 9.00 4.50 0.00 3.93 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 79 E 9.64 3.70 0.00 2.15 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 2.21 2.29 0.00 80 G 8.28 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 81 T 7.55 4.65 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 82 L 8.52 5.30 0.00 1.53 1.67 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.68 4.52 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 1.22 0.00 0.00 84 C 8.94 5.07 0.00 2.81 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 85 K 8.34 3.95 0.00 1.65 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.50 1.55 7.81 86 A 7.94 4.57 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 87 D 7.57 4.76 0.00 2.66 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 88 N 8.30 4.37 0.00 2.75 2.88 0.00 0.00 6.94 8.06 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 89 D 8.43 4.74 0.00 2.88 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 90 E 8.70 3.86 0.00 2.03 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 2.30 2.33 0.00 91 C 8.22 4.30 0.00 3.02 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 92 A 7.91 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.04 3.89 1.46 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 0.00 0.00 0.00 0.00 0.00 94 F 7.90 3.97 0.00 3.18 3.14 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 0.00 95 V 8.37 3.37 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 0.87 0.00 0.00 0.89 0.00 0.00 96 C 8.30 2.76 0.00 2.33 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 97 D 7.83 4.02 0.00 2.81 2.30 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 98 C 7.85 3.93 0.00 3.05 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 99 D 7.61 3.76 0.00 2.49 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 0.00 100 R 7.93 3.72 0.00 1.82 1.89 0.00 3.22 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 101 V 7.87 3.47 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 0.86 0.00 0.00 0.86 0.00 0.00 102 A 7.69 3.63 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 0.00 103 A 8.15 3.37 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 0.00 104 I 7.40 3.78 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.86 0.00 0.00 105 C 7.76 4.39 0.00 3.24 3.29 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 0.00 106 F 8.34 4.19 0.00 2.89 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 0.00 107 A 7.67 4.18 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 0.00 108 G 7.80 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 0.00 109 A 7.07 4.51 1.29 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 0.00 110 P 0.00 4.44 0.00 2.24 2.10 0.00 3.79 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 2.03 1.98 0.00 111 Y 8.56 4.23 0.00 2.92 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 0.00 112 N 9.37 4.71 0.00 2.75 3.23 0.00 0.00 6.62 8.34 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 0.00 113 K 8.60 3.87 0.00 1.82 1.88 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.68 7.81 114 E 7.97 3.94 0.00 1.82 1.92 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 2.26 2.32 0.00 115 N 8.14 4.39 0.00 1.77 1.92 0.00 0.00 6.77 7.21 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 0.00 116 I 6.77 4.04 1.75 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 1.01 0.04 0.71 0.00 0.00 117 N 8.93 4.36 0.00 2.58 2.69 0.00 0.00 7.03 7.82 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 *118 I 7.17 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.91 0.00 0.00 119 D 8.22 4.64 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 3.79 4.15 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 1.17 0.00 0.00 121 T 7.48 3.83 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 1.19 0.00 0.00 122 T 7.84 4.38 4.21 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 1.28 0.00 0.00 123 R 7.75 4.16 0.00 1.90 1.95 0.00 3.04 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 124 C 7.81 4.52 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.