NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3929 8.1127 119.7034 55.6228 31.9216 175.7099 3 V 3.3797 8.6303 119.6535 64.4625 31.3029 175.0564 4 E 4.0771 8.8215 117.7872 58.9811 30.3381 177.3469 5 D 4.5014 8.1095 119.0945 55.7974 41.5026 176.9121 6 V 4.2530 7.3013 118.8339 60.4975 31.4310 176.4186 *8 V 3.8245 7.4459 118.8590 64.0124 32.5255 175.2908 9 T 4.3367 8.4442 116.3940 62.6840 69.8844 175.0851 10 D 4.6119 7.7805 122.8089 53.1417 39.5954 175.1059 11 V 4.1801 7.4449 115.0037 59.9004 33.5778 175.6336 12 D 4.8594 8.4602 122.9740 54.2152 42.0918 175.5324 13 T 5.2483 8.4490 111.8673 60.0953 72.2480 172.8387 14 I 4.7033 8.5011 121.4604 59.2963 41.9876 173.8496 15 D 4.9503 8.7424 127.7301 54.0538 41.9487 176.9391 16 I 3.8128 8.4563 124.5484 63.8275 38.0988 176.8345 17 T 4.3735 8.0332 108.2028 61.9001 69.3117 174.6892 18 A 4.3228 8.0965 126.7597 52.2421 19.3829 176.2318 19 S 5.1262 8.8136 114.6070 56.2520 66.9917 175.2838 20 L 4.0420 8.4294 121.2038 57.4048 41.0758 179.4765 21 E 3.9119 7.9565 119.8643 59.2096 29.4351 178.5313 22 D 4.3379 7.8999 118.6283 57.2777 41.0833 178.6749 23 V 3.5830 7.7077 118.4895 65.7709 31.4249 177.8085 24 L 3.9795 8.1928 120.3624 58.1964 41.9767 178.9127 25 R 3.8872 8.1766 118.6693 59.6458 30.1156 178.1784 26 N 4.4756 8.5081 116.4963 56.3291 38.4634 176.8991 27 Y 4.4532 7.8932 122.0639 60.3530 38.7955 177.9954 28 V 3.3671 7.9143 118.0006 65.7755 31.6951 177.2773 29 E 4.2705 8.5101 117.5111 57.7293 28.7115 176.9342 30 N 4.7958 7.8376 112.7688 51.9344 39.9883 174.5484 31 A 3.4571 7.8866 119.6805 52.9418 16.4380 177.8731 32 K 4.4232 7.5492 117.4735 56.8903 32.2967 178.2500 33 G 3.8101 8.7818 113.6952 47.0618 0.0000 172.0130 34 S 5.0747 7.4991 112.2225 58.1472 65.7377 174.5217 35 S 4.8510 8.8029 115.3505 57.0157 67.7863 173.6666 36 V 4.3194 8.8917 124.2851 62.3962 32.7369 175.2878 37 V 4.4244 8.8697 129.0970 62.7059 32.9702 174.7227 38 V 4.9205 8.9391 127.4238 60.9031 34.8404 173.9690 39 K 4.5531 9.0470 128.8965 54.4568 34.4262 175.8786 40 E 3.9511 9.7403 129.8942 57.5628 26.8527 176.0136 41 G 3.9186 8.1686 103.2634 45.5084 0.0000 172.8201 42 V 4.3243 7.5170 120.2260 60.5992 33.3313 174.8719 43 R 4.5695 8.5667 126.5432 56.3703 30.3326 176.6407 44 V 4.3515 9.0680 115.1104 60.0957 33.6064 175.3568 45 G 4.0443 6.8627 105.3696 46.4499 0.0000 171.2661 46 I 5.3661 8.6317 119.7479 59.0611 41.1543 175.6093 47 V 4.8721 8.8059 127.1382 60.2312 34.9044 174.6736 48 T 5.1809 9.1245 112.2814 59.1323 72.1770 174.8963 49 T 3.8053 8.4834 111.9726 64.2123 68.2933 176.4312 50 W 3.9232 8.0580 131.3917 60.4219 30.6664 177.6040 51 D 4.2961 8.0212 118.5815 57.1567 40.1564 178.9416 52 V 3.4436 7.4783 118.3176 65.8582 31.5566 177.6066 53 L 3.6879 7.7509 120.1570 58.1207 41.9010 178.7713 54 E 3.6554 7.9243 118.4307 59.2374 29.2812 179.2485 55 A 4.1731 7.7352 122.1302 54.5838 18.4069 179.7378 56 I 3.5425 7.8367 118.2279 64.4900 36.9471 178.5163 57 A 3.9576 7.8743 120.6435 54.8967 18.2767 178.7953 58 E 4.2206 7.8391 114.4933 56.3552 29.8131 177.5035 59 G 3.8472 7.7022 106.9919 46.1244 0.0000 173.8109 60 D 4.3904 7.9781 119.3828 53.5948 41.6015 175.4902 61 D 4.7119 8.3916 121.4762 53.2839 40.8594 177.0744 62 L 3.9251 8.5917 127.6991 57.7465 41.8817 179.6001 63 A 4.0789 7.9872 120.5223 54.5215 18.3801 178.0830 64 E 4.1378 7.9324 113.8420 57.0949 30.2656 176.4952 65 V 3.9695 7.2146 119.1519 61.2240 31.7589 175.3101 66 K 4.5447 8.6896 127.9065 55.4918 33.1390 178.9263 67 V 3.5882 8.5670 115.9038 64.0538 31.6321 178.8783 68 W 4.3923 7.8004 115.6137 58.8228 28.2433 177.1560 69 E 4.0023 7.1977 118.2904 58.2441 29.2381 177.4511 70 V 4.2753 7.0564 110.8329 59.0709 31.8358 174.5374 *72 E 4.2051 7.7160 121.1571 56.4590 31.1653 175.6036 73 R 4.4777 8.0149 119.6090 57.8818 34.2019 176.4499 74 D 4.3488 8.3243 116.5913 57.4000 41.1853 177.5932 75 L 4.2895 7.8532 115.3262 56.1031 42.2063 177.4545 76 V 4.5528 7.8720 112.3357 61.0428 33.0688 174.7869 77 T 5.1398 7.9197 110.5127 60.1880 70.6858 173.4512 78 I 4.7127 8.6398 123.6609 59.2984 42.4415 174.0076 79 S 4.9720 8.5276 121.1612 57.0173 63.5981 173.2732 80 P 4.4244 0.0000 0.0000 65.0552 31.3851 178.2998 81 R 4.0458 8.0056 117.4319 57.8514 30.5660 176.9729 82 A 4.2651 7.6893 121.5095 52.0778 19.1172 177.2270 83 T 4.4583 9.0160 112.0511 61.1441 71.1109 176.2010 84 I 3.6463 8.1617 122.3637 64.4083 37.0336 178.5956 85 K 3.8866 7.9404 119.9776 59.5656 32.1177 178.5701 86 E 4.3005 8.4607 119.9899 58.7282 29.0976 179.2279 87 A 3.9266 7.8663 119.8756 55.0705 18.5393 179.1804 88 A 3.9771 7.9637 118.4038 55.3178 18.5914 179.3547 89 E 4.0730 8.5105 117.5063 59.1810 29.5372 180.0069 90 K 4.0593 7.9872 118.6384 56.6269 32.1932 178.8147 *92 V 3.9396 7.7833 118.6804 62.2540 33.2053 177.1719 93 K 3.8903 8.2972 119.7862 59.1087 32.0030 176.9500 94 N 4.5871 8.1495 113.0406 52.1337 39.2760 174.8313 95 V 3.2300 7.0658 117.6024 64.2186 30.3624 172.7461 96 V 4.4587 7.1294 110.3550 59.4262 35.6245 176.1448 97 W 4.5127 8.6175 131.0178 58.7158 31.8345 175.8016 98 R 5.1975 7.9233 116.5562 54.6061 33.8332 174.4099 99 L 4.9964 8.8503 121.4369 52.8425 45.7424 175.8680 100 L 4.4774 8.9605 123.3352 54.5421 43.3380 175.9177 101 V 4.6599 8.8530 123.9441 61.3568 33.2500 173.9543 102 E 5.2456 8.9177 129.0975 54.4454 32.1157 174.8230 103 E 4.5872 8.9771 126.2575 55.9080 33.0495 174.6711 104 D 4.3233 9.5606 124.3248 55.7486 38.4014 174.3264 105 D 4.5516 8.4331 114.8973 54.6709 39.2124 173.9423 106 E 4.7337 7.8530 118.7594 54.1282 32.4567 175.3357 107 I 4.3353 8.2911 122.9416 61.4043 37.2823 175.9024 108 I 4.2922 8.5591 119.2818 60.3332 38.9214 175.4146 109 G 4.0196 7.0923 108.4140 46.6637 0.0000 171.7319 110 V 5.0334 8.6727 118.9250 61.0784 34.8062 174.9847 111 I 4.5783 8.8179 127.0397 59.2000 40.9845 174.0122 112 S 5.0694 9.6306 123.1031 55.9450 65.2887 174.5651 113 A 3.5140 7.7831 126.9091 55.3627 17.6467 180.4534 114 T 3.9132 7.2972 114.3036 67.0118 68.5796 176.4276 115 D 4.3475 7.9781 120.6368 57.4265 40.8586 179.0070 116 I 3.6712 7.4783 119.7404 64.3073 36.9696 178.3395 117 L 3.9774 7.9660 119.1023 57.8570 41.5106 179.4858 118 R 4.0575 7.9795 116.8578 59.2220 30.0692 178.7099 119 A 4.1115 7.9056 119.6799 54.7088 18.4273 177.8134 120 K 4.1809 7.9636 121.8521 56.8780 32.4369 176.4041 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 2 R 8.11 4.39 0.00 1.88 2.15 0.00 3.11 0.00 0.00 3.52 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 3 V 8.63 3.38 2.32 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 0.92 0.00 0.00 0.96 0.00 0.00 4 E 8.82 4.08 0.00 2.13 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 0.00 2.45 2.28 0.00 5 D 8.11 4.50 0.00 2.79 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 6 V 7.30 4.25 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 0.76 0.00 0.00 0.93 0.00 0.00 *8 V 7.45 3.82 2.20 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 1.15 0.00 0.00 0.95 0.00 0.00 9 T 8.44 4.34 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 1.27 0.00 0.00 10 D 7.78 4.61 0.00 2.67 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 11 V 7.44 4.18 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 0.84 0.00 0.00 0.95 0.00 0.00 12 D 8.46 4.86 0.00 2.64 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 13 T 8.45 5.25 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 1.23 0.00 0.00 14 I 8.50 4.70 1.90 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 1.14 1.65 0.94 0.00 0.00 15 D 8.74 4.95 0.00 2.88 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 16 I 8.46 3.81 2.06 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 1.57 1.13 0.95 0.00 0.00 17 T 8.03 4.37 4.32 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 1.31 0.00 0.00 18 A 8.10 4.32 1.41 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 0.00 0.00 19 S 8.81 5.13 0.00 4.27 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 20 L 8.43 4.04 0.00 1.80 1.70 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.96 3.91 0.00 2.04 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 0.00 2.30 2.34 0.00 22 D 7.90 4.34 0.00 2.91 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 23 V 7.71 3.58 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 0.98 0.00 0.00 0.93 0.00 0.00 24 L 8.19 3.98 0.00 1.84 1.83 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.18 3.89 0.00 2.01 2.08 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 26 N 8.51 4.48 0.00 2.97 2.91 0.00 0.00 6.70 8.33 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 27 Y 7.89 4.45 0.00 3.09 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 28 V 7.91 3.37 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 0.97 0.00 0.00 29 E 8.51 4.27 0.00 2.01 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 2.30 2.44 0.00 30 N 7.84 4.80 0.00 2.94 2.78 0.00 0.00 6.83 7.40 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 31 A 7.89 3.46 1.31 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 0.00 0.00 0.00 32 K 7.55 4.42 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.56 7.81 33 G 8.78 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 0.00 0.00 0.00 34 S 7.50 5.07 0.00 4.00 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 35 S 8.80 4.85 0.00 3.78 3.76 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 36 V 8.89 4.32 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 0.98 0.00 0.00 0.96 0.00 0.00 37 V 8.87 4.42 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 0.87 0.00 0.00 0.98 0.00 0.00 38 V 8.94 4.92 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 0.91 0.00 0.00 0.95 0.00 0.00 39 K 9.05 4.55 0.00 1.87 1.63 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.40 7.81 40 E 9.74 3.95 0.00 2.10 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 2.22 2.22 0.00 41 G 8.17 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 42 V 7.52 4.32 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 1.07 0.00 0.00 0.93 0.00 0.00 43 R 8.57 4.57 0.00 1.86 1.88 0.00 3.31 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 44 V 9.07 4.35 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 0.76 0.00 0.00 1.00 0.00 0.00 45 G 6.86 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 46 I 8.63 5.37 1.90 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 1.32 1.18 0.97 0.00 0.00 47 V 8.81 4.87 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 0.82 0.00 0.00 0.98 0.00 0.00 48 T 9.12 5.18 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 1.27 0.00 0.00 49 T 8.48 3.81 3.80 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 0.54 0.00 0.00 50 W 8.06 3.92 0.00 3.45 3.12 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 51 D 8.02 4.30 0.00 2.89 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 52 V 7.48 3.44 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 0.92 0.00 0.00 53 L 7.75 3.69 0.00 1.40 0.99 0.71 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.92 3.66 0.00 2.02 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 2.12 1.87 0.00 55 A 7.74 4.17 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 56 I 7.84 3.54 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.84 0.00 0.00 57 A 7.87 3.96 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 58 E 7.84 4.22 0.00 2.05 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 2.37 2.42 0.00 59 G 7.70 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 60 D 7.98 4.39 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.39 4.71 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.59 3.93 0.00 1.71 1.75 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.99 4.08 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 64 E 7.93 4.14 0.00 2.06 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 2.41 2.36 0.00 65 V 7.21 3.97 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 0.80 0.00 0.00 0.83 0.00 0.00 66 K 8.69 4.54 0.00 0.79 1.48 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.66 7.81 67 V 8.57 3.59 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 0.87 0.00 0.00 1.09 0.00 0.00 68 W 7.80 4.39 0.00 3.51 3.23 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 69 E 7.20 4.00 0.00 1.66 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 1.47 1.47 0.00 70 V 7.06 4.28 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 0.61 0.00 0.00 0.86 0.00 0.00 *72 E 7.72 4.21 0.00 2.09 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 2.34 2.49 0.00 73 R 8.01 4.48 0.00 1.93 1.81 0.00 3.44 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 74 D 8.32 4.35 0.00 2.67 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 75 L 7.85 4.29 0.00 1.68 1.89 0.93 0.84 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 76 V 7.87 4.55 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 0.77 0.00 0.00 0.98 0.00 0.00 77 T 7.92 5.14 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 1.28 0.00 0.00 78 I 8.64 4.71 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.65 0.95 0.00 0.00 79 S 8.53 4.97 0.00 3.94 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 80 P 0.00 4.42 0.00 2.42 2.28 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 81 R 8.01 4.05 0.00 1.82 2.02 0.00 3.33 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 82 A 7.69 4.27 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 83 T 9.02 4.46 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 1.20 0.00 0.00 84 I 8.16 3.65 1.84 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 1.50 0.91 0.86 0.00 0.00 85 K 7.94 3.89 0.00 1.79 1.78 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.50 7.81 86 E 8.46 4.30 0.00 2.28 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 2.31 2.16 0.00 87 A 7.87 3.93 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 88 A 7.96 3.98 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 89 E 8.51 4.07 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 2.30 2.48 0.00 90 K 7.99 4.06 0.00 1.80 1.85 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.42 7.81 *92 V 7.78 3.94 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 0.88 0.00 0.00 0.93 0.00 0.00 93 K 8.30 3.89 0.00 1.79 1.80 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.40 7.81 94 N 8.15 4.59 0.00 2.85 2.80 0.00 0.00 7.17 7.15 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 95 V 7.07 3.23 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 0.49 0.00 0.00 0.93 0.00 0.00 96 V 7.13 4.46 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 0.78 0.00 0.00 0.97 0.00 0.00 97 W 8.62 4.51 0.00 3.38 3.05 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 98 R 7.92 5.20 0.00 1.74 1.79 0.00 3.31 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 99 L 8.85 5.00 0.00 1.49 1.58 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.96 4.48 0.00 1.58 1.59 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.85 4.66 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 0.91 0.00 0.00 0.92 0.00 0.00 102 E 8.92 5.25 0.00 1.98 1.77 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 2.20 2.31 0.00 103 E 8.98 4.59 0.00 1.96 1.70 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 2.20 2.27 0.00 104 D 9.56 4.32 0.00 2.84 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 0.00 105 D 8.43 4.55 0.00 2.84 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 0.00 106 E 7.85 4.73 0.00 2.01 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 2.21 2.42 0.00 107 I 8.29 4.34 1.88 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 1.48 0.48 0.92 0.00 0.00 108 I 8.56 4.29 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 1.27 0.63 0.97 0.00 0.00 109 G 7.09 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 0.00 0.00 0.00 110 V 8.67 5.03 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 0.83 0.00 0.00 0.95 0.00 0.00 111 I 8.82 4.58 1.84 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 1.03 1.54 0.93 0.00 0.00 112 S 9.63 5.07 0.00 3.92 3.83 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 0.00 113 A 7.78 3.51 -0.42 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 0.00 114 T 7.30 3.91 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 1.32 0.00 0.00 115 D 7.98 4.35 0.00 2.78 2.79 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 0.00 116 I 7.48 3.67 1.83 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 1.55 0.78 0.81 0.00 0.00 117 L 7.97 3.98 0.00 1.64 1.74 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.98 4.06 0.00 1.92 2.00 0.00 3.20 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 119 A 7.91 4.11 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 0.00 120 K 7.96 4.18 0.00 1.73 1.86 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.