NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.9225 8.5445 116.4696 55.6169 30.5061 172.7519 *-1 H 4.4137 8.4904 117.9614 54.8207 28.9662 173.9202 0 H 5.0843 9.3888 124.0885 54.1185 31.9942 173.8005 0 R 4.6943 9.1988 126.3885 55.1185 33.8942 176.0005 3 V 4.5456 9.0149 123.6895 61.0726 34.7432 173.6902 4 E 4.9047 9.1667 129.2824 54.8777 31.8693 174.5179 5 L 4.6579 8.6150 126.1314 52.9474 44.4580 175.4788 6 L 4.5213 8.1825 125.4387 53.3170 43.2159 176.6890 7 F 5.1929 8.2980 124.2204 55.3544 40.7634 175.9610 8 E 4.1272 8.8433 118.0252 59.1093 29.2981 178.2774 9 S 4.6020 8.2078 111.7238 57.5162 64.0272 173.8226 10 G 3.9940 7.3372 107.6661 46.2854 0.0000 171.4496 11 K 5.2558 8.8412 117.5081 56.4325 35.8944 174.3968 12 C 4.9316 9.0461 115.3602 57.2540 34.0052 172.4813 13 V 4.9328 8.9866 118.9481 61.0092 34.0789 174.1857 14 I 5.0223 9.0207 121.2049 59.1676 41.0125 173.8775 15 D 5.2988 9.3897 124.0762 52.8109 43.1154 174.6365 16 L 5.2731 8.6510 125.6892 53.0225 44.7966 175.6868 17 N 4.8450 9.0493 121.9859 52.4738 39.5710 175.3381 18 E 4.2979 9.1218 127.6045 57.6592 29.9534 177.4383 19 E 4.0378 8.3973 117.6136 59.4850 29.9888 177.4892 20 Y 4.5933 7.5812 117.4660 57.1706 39.7100 175.9223 21 E 3.9499 9.6429 126.0270 59.5882 29.8283 179.8340 22 V 3.4779 7.6987 118.5475 64.5496 31.3815 178.4413 23 V 3.6266 7.7482 118.4674 65.8337 31.3026 177.8862 24 K 4.0107 7.8195 117.0065 59.6402 32.0523 179.0149 25 L 4.1739 8.0390 119.1970 57.5968 41.5005 179.4655 26 L 4.0545 8.0759 119.1096 57.6379 41.1297 179.1145 27 K 4.1122 8.2607 119.5934 60.0847 31.8311 178.4854 28 E 3.9075 8.0011 117.3613 58.5023 29.4897 178.4680 29 K 4.3643 7.9532 116.9433 56.2734 33.0244 177.1267 30 I 4.0046 6.9079 120.8550 60.3138 37.5482 173.8640 31 P 4.7830 0.0000 0.0000 62.1112 32.3569 175.1608 32 F 5.0562 7.9643 115.8895 55.9916 41.6674 172.3496 33 E 5.0726 8.8815 117.5328 55.1632 33.2282 175.6171 34 S 4.6371 8.5705 114.7435 57.6954 66.2033 172.1581 35 V 4.7915 8.2564 117.7738 61.3705 34.3092 175.8724 36 V 4.4417 8.7147 127.4933 62.2018 33.3826 174.3502 37 N 5.5087 8.8639 123.3352 51.4897 42.4977 173.3461 38 T 5.1856 8.8949 110.8149 60.0954 71.5123 174.4118 39 W 5.1178 9.1727 133.4799 56.5095 32.4491 175.5674 40 G 3.6569 8.0598 117.9436 46.8122 0.0000 173.1177 41 E 3.8913 8.5127 117.0699 55.9784 28.7710 175.5032 42 E 4.8733 7.7720 119.0403 54.3969 33.5561 174.7540 43 I 5.1208 8.6017 127.3244 59.9456 39.7570 174.2878 44 Y 5.8314 9.4265 123.7495 55.1334 41.9342 173.7914 45 F 5.3348 8.0328 113.9970 55.6231 41.2594 173.6059 46 S 5.0494 8.9622 115.6335 58.7230 63.9560 173.0269 47 T 4.7577 8.4997 111.1724 58.8493 71.8409 171.9751 48 P 4.4043 0.0000 0.0000 62.9949 31.1458 175.7285 49 V 4.1411 7.3512 119.0357 61.2845 32.8141 174.4544 50 N 4.8739 8.7201 125.6875 51.7543 39.6230 173.6107 51 V 4.3476 8.6151 125.4444 61.1505 33.7812 175.3159 52 Q 4.1048 8.9845 129.6127 59.2115 29.1115 177.8023 53 K 4.2441 7.5770 117.5494 54.1438 32.9318 177.7380 *55 E 4.5149 8.5542 113.0444 57.8191 31.9408 175.8627 56 N 5.2476 8.4028 116.0728 51.4812 38.1252 172.3085 57 P 5.0640 0.0000 0.0000 62.8914 33.2906 177.8077 58 R 4.7073 9.1682 121.3677 54.7287 33.9955 175.7107 59 E 4.5206 8.9890 120.8764 56.2971 30.4999 175.9745 60 V 4.5930 7.2675 118.0770 61.3144 34.7102 174.1845 61 V 4.5138 8.3342 119.2255 59.7223 35.8485 174.4509 62 E 4.7075 9.5309 120.9504 54.3631 32.2143 176.3117 63 I 3.9283 8.2699 122.6295 63.4494 37.7567 176.8071 64 G 4.1165 9.6510 114.1285 45.1383 0.0000 173.0861 65 D 4.9895 8.2836 120.2273 54.3811 42.4379 175.3823 66 V 4.9189 8.9437 122.4238 61.2533 33.8766 174.6402 67 G 4.7425 9.3783 115.1325 44.6461 0.0000 170.9306 68 Y 5.1632 9.0686 124.4367 55.5158 41.1584 174.2240 69 W 4.8581 8.5690 135.0000 55.0397 31.4896 174.2206 70 P 3.9326 0.0000 0.0000 64.8862 31.1024 177.2924 71 P 3.7133 0.0000 0.0000 64.5678 31.0281 177.1537 72 G 3.9779 6.7139 103.3909 44.1496 0.0000 172.9473 73 K 3.5939 7.5083 118.0358 57.1810 30.5520 174.0091 74 A 5.2931 7.3627 118.8247 50.1521 21.8853 176.9738 75 L 4.6746 8.1525 122.1853 54.4340 43.3329 175.8026 76 C 5.0810 9.3954 120.9713 57.8269 31.8276 172.7967 77 L 4.8239 8.8213 124.3144 53.0139 43.9786 175.4762 78 F 5.0212 9.0055 124.0057 55.9121 40.3271 175.9173 79 F 4.9020 8.4400 118.2777 55.8925 38.7014 176.0882 80 G 4.1754 6.8867 104.7298 46.2555 0.0000 172.8027 81 K 4.0554 7.7701 119.0032 56.2445 32.7960 176.9637 82 T 4.2626 7.8287 112.7736 59.5080 70.8653 173.3135 83 P 4.0593 0.0000 0.0000 62.4684 29.3927 176.5266 *85 S 4.0793 7.6161 114.1219 59.0116 63.6043 173.4743 86 D 4.6906 8.5413 123.5438 53.2994 40.2295 176.0937 87 D 4.8878 7.8448 116.4444 54.0675 40.8403 175.6379 88 K 4.4707 7.3997 117.1872 55.9038 36.0452 175.5107 89 I 4.0151 8.2132 121.3187 60.6345 37.8236 174.9519 90 Q 4.9475 8.2722 129.3405 53.1717 30.5710 173.6168 91 P 4.5966 0.0000 0.0000 62.2214 32.2853 176.1653 92 A 4.2896 8.6541 122.4738 55.3358 18.1839 177.4543 93 S 4.8295 7.6775 106.4815 56.6417 66.3982 173.8134 94 A 4.4135 8.7461 121.6921 52.8307 18.6618 177.3724 95 V 4.7038 8.3947 113.4018 59.3494 35.8841 174.8671 96 N 4.8946 9.3784 123.2887 53.1285 39.6651 174.6315 97 V 4.4618 8.3676 128.6346 62.8686 31.2974 175.4968 98 I 3.8793 8.3976 121.8507 60.4889 39.4819 175.5012 99 G 4.4808 7.2855 107.6991 46.7449 0.0000 172.0349 100 K 5.2894 8.2841 117.8396 54.7692 37.0507 176.0943 101 I 4.5216 8.9831 125.5493 61.5523 36.8655 176.1369 102 V 4.4501 8.9426 120.5586 61.4572 33.9330 176.0445 103 E 4.5582 7.9348 118.7479 55.4180 34.2628 176.2496 104 G 3.9027 8.9568 110.0938 45.7753 0.0000 175.0121 105 L 3.8884 8.1594 126.2366 58.5151 42.1013 179.7060 106 E 4.0759 8.0080 112.9512 58.2196 30.1940 180.2341 107 D 4.5048 7.9475 117.4261 57.5959 41.3172 178.7470 108 L 3.5480 7.4045 119.6793 57.0675 41.5624 179.2862 109 K 4.0440 7.3617 116.2877 58.7499 32.6736 177.6915 110 K 4.1860 7.6297 117.9569 56.9881 32.5401 176.8573 111 I 3.9611 7.0914 121.1194 60.6598 37.6265 175.5451 112 K 4.5062 8.6127 124.8239 54.3894 33.6695 175.8941 113 D 4.3810 8.5027 121.5561 56.6017 41.0769 177.5276 114 G 3.9871 9.0134 112.3152 44.9884 0.0000 173.6748 115 E 4.3813 7.7407 119.5579 56.0289 30.4231 176.8064 116 K 4.7043 9.3193 122.9849 56.3933 33.7465 176.4168 117 V 4.4997 8.5546 121.9193 59.7737 34.7340 174.0007 118 A 4.5921 8.4527 126.0292 50.1119 21.2918 175.5151 119 V 4.2485 8.1848 123.4161 61.1446 33.2733 174.8804 120 R 4.5370 8.5101 126.1512 53.9009 34.8268 174.7781 121 F 4.6800 8.2022 119.4721 57.2440 39.5688 175.4812 122 A 4.2252 8.7785 124.7492 52.5244 18.6523 177.7937 123 S 4.4770 8.8119 115.6372 59.1850 63.7670 174.8137 124 S 4.2334 7.7281 119.9602 58.3996 62.9438 173.6878 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 H 8.54 4.92 0.00 3.20 3.34 0.00 5.49 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-1 H 8.49 4.41 0.00 2.71 3.00 0.00 7.18 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 9.39 5.08 0.00 3.05 3.50 0.00 5.70 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 R 9.20 4.69 0.00 1.62 2.10 0.00 2.21 0.00 0.00 3.22 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 3 V 9.01 4.55 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 0.90 0.00 0.00 1.02 0.00 0.00 4 E 9.17 4.90 0.00 2.04 1.71 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 2.13 2.39 0.00 5 L 8.61 4.66 0.00 1.27 0.77 1.22 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.18 4.52 0.00 1.42 1.45 0.81 0.69 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 7 F 8.30 5.19 0.00 3.00 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 8 E 8.84 4.13 0.00 2.14 2.01 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 2.34 2.29 0.00 9 S 8.21 4.60 0.00 3.81 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 10 G 7.34 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 11 K 8.84 5.26 0.00 1.71 1.76 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.40 7.81 12 C 9.05 4.93 0.00 3.28 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 13 V 8.99 4.93 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 1.18 0.00 0.00 1.00 0.00 0.00 14 I 9.02 5.02 1.97 0.00 0.00 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 1.38 1.13 1.02 0.00 0.00 15 D 9.39 5.30 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.65 5.27 0.00 1.65 1.66 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17 N 9.05 4.85 0.00 2.74 2.94 0.00 0.00 6.84 7.96 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 18 E 9.12 4.30 0.00 2.16 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 2.36 2.34 0.00 19 E 8.40 4.04 0.00 1.68 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 2.26 2.31 0.00 20 Y 7.58 4.59 0.00 3.16 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 21 E 9.64 3.95 0.00 2.06 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 2.30 2.35 0.00 22 V 7.70 3.48 1.55 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 0.56 0.00 0.00 0.04 0.00 0.00 23 V 7.75 3.63 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 1.19 0.00 0.00 1.11 0.00 0.00 24 K 7.82 4.01 0.00 1.96 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.77 7.81 25 L 8.04 4.17 0.00 1.66 1.68 0.88 0.70 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 26 L 8.08 4.05 0.00 2.01 1.86 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.26 4.11 0.00 2.12 2.12 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.77 7.81 28 E 8.00 3.91 0.00 2.15 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 2.38 2.39 0.00 29 K 7.95 4.36 0.00 1.84 1.77 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.55 1.52 7.81 30 I 6.91 4.00 1.45 0.00 0.00 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 1.11 0.72 -0.03 0.00 0.00 31 P 0.00 4.78 0.00 2.02 1.96 0.00 3.42 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 32 F 7.96 5.06 0.00 3.09 3.27 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 33 E 8.88 5.07 0.00 1.82 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 2.13 2.20 0.00 34 S 8.57 4.64 0.00 4.17 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 4.79 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 0.88 0.00 0.00 0.93 0.00 0.00 36 V 8.71 4.44 2.26 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 0.93 0.00 0.00 1.08 0.00 0.00 37 N 8.86 5.51 0.00 1.44 2.21 0.00 0.00 6.56 6.60 0.00 0.00 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 T 8.89 5.19 4.33 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 1.24 0.00 0.00 39 W 9.17 5.12 0.00 3.36 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 40 G 8.06 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.51 3.89 0.00 1.41 1.12 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 2.12 2.04 0.00 42 E 7.77 4.87 0.00 1.95 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 2.09 1.47 0.00 43 I 8.60 5.12 2.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 1.04 0.00 0.00 44 Y 9.43 5.83 0.00 2.88 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 45 F 8.03 5.33 0.00 3.12 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 46 S 8.96 5.05 0.00 3.97 4.01 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 47 T 8.50 4.76 4.12 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 1.49 0.00 0.00 48 P 0.00 4.40 0.00 2.02 1.99 0.00 2.51 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 49 V 7.35 4.14 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 0.65 0.00 0.00 0.90 0.00 0.00 50 N 8.72 4.87 0.00 2.67 2.70 0.00 0.00 6.89 7.71 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 51 V 8.62 4.35 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 0.87 0.00 0.00 0.83 0.00 0.00 52 Q 8.98 4.10 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 53 K 7.58 4.24 0.00 1.77 1.65 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.03 7.81 *55 E 8.55 4.51 0.00 2.34 2.31 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 2.34 2.47 0.00 56 N 8.40 5.25 0.00 2.95 2.63 0.00 0.00 6.90 7.43 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 57 P 0.00 5.06 0.00 2.13 2.05 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 58 R 9.17 4.71 0.00 1.61 1.96 0.00 3.25 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 59 E 8.99 4.52 0.00 1.93 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 2.24 2.27 0.00 60 V 7.27 4.59 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 0.76 0.00 0.00 0.89 0.00 0.00 61 V 8.33 4.51 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 0.39 0.00 0.00 0.12 0.00 0.00 62 E 9.53 4.71 0.00 2.12 1.85 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 2.23 2.41 0.00 63 I 8.27 3.93 1.92 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 1.40 0.49 1.00 0.00 0.00 64 G 9.65 4.12 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 0.00 0.00 0.00 65 D 8.28 4.99 0.00 2.79 2.70 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 66 V 8.94 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 1.07 0.00 0.00 1.04 0.00 0.00 67 G 9.38 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.07 5.16 0.00 3.06 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 69 W 8.57 4.86 0.00 3.21 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 70 P 0.00 3.93 0.00 2.01 2.22 0.00 3.45 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 71 P 0.00 3.71 0.00 0.49 1.44 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.55 0.00 72 G 6.71 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 0.00 0.00 0.00 73 K 7.51 3.59 0.00 2.06 2.08 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.24 7.81 74 A 7.36 5.29 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.67 0.00 0.64 1.27 1.08 0.90 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 76 C 9.40 5.08 0.00 2.77 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 0.00 0.00 0.00 0.00 77 L 8.82 4.82 0.00 1.66 1.69 1.24 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.01 5.02 0.00 3.15 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 79 F 8.44 4.90 0.00 3.02 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 80 G 6.89 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.77 4.06 0.00 1.72 1.59 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.35 7.81 82 T 7.83 4.26 3.43 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 1.28 0.00 0.00 83 P 0.00 4.06 0.00 1.43 1.75 0.00 2.20 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.48 0.00 *85 S 7.62 4.08 0.00 3.93 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 86 D 8.54 4.69 0.00 2.73 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 87 D 7.84 4.89 0.00 2.72 2.75 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 0.00 0.00 0.00 88 K 7.40 4.47 0.00 1.69 1.75 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.36 7.81 89 I 8.21 4.02 1.93 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 1.17 0.69 0.86 0.00 0.00 90 Q 8.27 4.95 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.04 0.00 0.00 0.00 0.00 0.00 2.22 2.51 0.00 91 P 0.00 4.60 0.00 2.42 2.01 0.00 3.86 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 1.93 1.74 0.00 92 A 8.65 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.68 4.83 0.00 3.94 3.96 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 0.00 0.00 0.00 94 A 8.75 4.41 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 95 V 8.39 4.70 2.26 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 0.98 0.00 0.00 0.98 0.00 0.00 96 N 9.38 4.89 0.00 2.88 2.79 0.00 0.00 6.96 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 97 V 8.37 4.46 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 0.84 0.00 0.00 0.91 0.00 0.00 98 I 8.40 3.88 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.57 0.55 0.00 0.00 99 G 7.29 4.48 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 0.00 100 K 8.28 5.29 0.00 1.85 1.72 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.35 1.28 7.81 101 I 8.98 4.52 1.96 0.00 0.00 1.00 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 0.58 1.01 0.00 0.00 102 V 8.94 4.45 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 0.80 0.00 0.00 1.03 0.00 0.00 103 E 7.93 4.56 0.00 1.88 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 2.31 2.33 0.00 104 G 8.96 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 0.00 105 L 8.16 3.89 0.00 1.76 1.71 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.01 4.08 0.00 2.03 1.85 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 2.23 1.90 0.00 107 D 7.95 4.50 0.00 3.05 2.70 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 0.00 108 L 7.40 3.55 0.00 0.74 0.69 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.36 4.04 0.00 1.89 1.90 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.41 7.81 110 K 7.63 4.19 0.00 1.73 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 111 I 7.09 3.96 1.50 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 0.52 0.00 0.00 112 K 8.61 4.51 0.00 1.77 1.69 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.52 7.81 113 D 8.50 4.38 0.00 2.64 2.63 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 0.00 114 G 9.01 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 0.00 115 E 7.74 4.38 0.00 1.94 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 2.48 2.44 0.00 116 K 9.32 4.70 0.00 1.66 1.66 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.37 7.81 117 V 8.55 4.50 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 -0.13 0.00 0.00 0.05 0.00 0.00 118 A 8.45 4.59 1.06 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 0.00 0.00 119 V 8.18 4.25 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 0.00 0.00 0.56 0.00 0.00 0.30 0.00 0.00 120 R 8.51 4.54 0.00 1.56 1.64 0.00 3.23 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.61 0.00 121 F 8.20 4.68 0.00 2.99 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 0.00 122 A 8.78 4.23 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 0.00 123 S 8.81 4.48 0.00 3.88 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 0.00 124 S 7.73 4.23 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.