NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7038 8.4244 119.2199 53.5577 38.8352 172.5487 3 V 4.1083 7.6929 123.1792 58.3206 31.5773 171.2387 4 P 3.9625 0.0000 0.0000 62.4640 32.6065 177.0746 5 A 4.1200 8.6037 125.9916 54.3662 18.5779 177.8236 6 E 4.3092 7.9024 111.9865 57.2265 30.5749 176.5201 7 L 4.2596 7.2516 118.8599 54.5117 42.6809 176.4106 8 K 4.8084 8.2703 119.4110 55.3358 35.0017 175.2987 9 Y 5.2097 8.9105 119.2100 56.4116 42.5661 174.8604 10 S 5.1099 8.7565 116.5094 56.5262 65.7909 175.3478 11 K 4.2079 8.8373 119.3068 58.6304 31.9304 177.7590 12 E 4.5245 8.1396 117.1738 56.1904 29.7922 175.3767 13 H 4.4069 8.3244 115.4247 57.1162 26.5802 174.3715 14 E 5.0803 7.9698 117.7026 55.0481 31.8154 175.4290 15 W 5.1467 8.3812 118.7512 54.6185 32.2937 174.0434 16 L 5.1697 8.8908 121.9376 53.4586 45.1726 174.8357 17 R 5.0129 9.2994 126.3851 54.2886 33.1505 174.1192 18 K 4.0033 8.8344 127.8559 56.0987 33.2117 175.9960 19 E 4.4588 8.6913 126.6488 54.2229 31.8012 176.8463 20 A 3.9802 8.2374 122.3169 54.8145 18.4771 178.1290 21 D 4.4962 7.9466 113.4606 53.3910 39.7650 177.4686 22 G 3.7767 8.0076 109.3153 45.5422 0.0000 173.8597 23 T 4.3647 7.5700 110.3057 61.3481 71.2311 172.8576 24 Y 5.0907 8.9498 118.6349 56.5427 41.2818 175.4097 25 T 4.7865 8.9984 120.7422 62.3572 70.8711 173.9466 26 V 4.1142 7.7635 124.8849 59.9954 34.7768 174.8642 27 G 3.8034 5.5466 112.4691 45.1470 0.0000 170.8111 28 I 5.1343 8.1222 112.6947 59.1280 40.1517 175.8633 29 T 4.3057 8.6962 114.2918 60.9503 70.0635 175.1344 30 E 3.8563 8.6538 122.1196 59.9297 29.3434 178.4172 31 H 4.1782 8.5231 117.2710 59.1497 29.9705 176.7605 32 A 3.9681 8.1752 122.7903 55.3760 18.3479 179.7202 33 Q 3.9971 8.2577 116.0428 59.3029 28.4266 178.4666 34 E 3.9688 8.0783 119.9416 59.1896 29.5551 178.8819 35 L 4.0913 7.8080 118.1670 57.8531 41.7621 179.3414 36 L 4.1328 7.6857 117.9057 57.7351 42.0788 178.4411 37 G 3.7828 8.3449 105.6590 44.4510 0.0000 171.8503 38 D 4.3800 8.4565 119.2073 54.5153 41.2632 175.4638 39 M 4.6386 8.5316 124.3195 55.4815 33.1208 175.2864 40 V 4.3424 8.6914 125.2092 64.1749 34.0373 175.7746 41 F 4.9930 7.8422 120.6891 56.9725 42.8906 172.8773 42 V 4.2813 7.6957 125.4443 60.8297 33.7847 173.9984 43 D 4.2158 8.2564 128.6332 53.2958 41.9303 175.2151 44 L 4.7587 8.1819 126.3168 52.7884 43.2481 174.9137 45 P 4.3664 0.0000 0.0000 62.4360 32.7287 175.1517 46 E 4.1545 8.4119 121.0362 55.0451 30.2725 175.9109 47 V 3.8190 8.1846 126.4302 64.4195 32.0808 175.9649 48 G 3.9616 9.1550 116.0547 44.8916 0.0000 173.6885 49 A 4.1631 7.8201 122.2741 52.3754 19.6322 176.4662 50 T 4.9679 8.3914 117.7430 62.0728 70.3311 174.5804 51 V 4.6837 8.8589 119.1431 59.6881 36.0612 175.1167 52 S 4.7865 9.3572 119.2583 56.5131 64.3699 173.8955 53 A 4.1391 8.4873 126.4885 54.4894 18.2724 178.4197 54 G 3.9966 9.4080 112.2819 44.9292 0.0000 173.5581 55 D 4.7288 8.2554 121.2410 54.0498 42.0274 175.5151 56 D 4.7789 8.8546 123.4882 53.6604 39.8080 175.6697 57 C 4.7644 9.0394 115.4289 57.4575 31.6636 172.9724 58 A 4.6710 7.4347 120.4263 51.0462 22.9638 174.9453 59 V 4.6907 8.4635 117.7106 61.1717 35.3758 173.8128 60 A 4.8865 8.8997 129.1020 50.1338 21.6367 175.0714 61 E 5.1114 9.2668 122.4605 54.6806 32.9377 175.8495 62 S 5.0162 8.8255 120.1489 56.2753 65.9584 175.2261 63 V 3.5296 8.0899 111.0009 63.2482 30.9138 175.5562 *65 A 4.3182 7.6766 122.1869 52.2035 20.3131 175.4304 66 A 5.0845 8.1590 118.3417 51.1210 22.2755 175.9610 67 S 4.6700 9.1804 114.9172 56.3233 66.2750 173.3112 68 D 4.7506 8.8155 125.6076 54.6210 41.6190 175.6379 69 I 4.4680 8.2650 121.7453 59.7124 40.4777 174.2553 70 Y 5.2673 9.2048 124.0582 55.7295 40.9990 175.5426 71 A 4.3871 8.9390 124.9056 51.8575 18.7475 177.2173 72 P 4.4835 0.0000 0.0000 64.6907 31.9225 176.7946 73 V 4.5339 7.2337 109.1031 59.1896 35.8220 175.1491 74 S 4.6071 9.6212 118.0961 57.7628 63.9301 175.5835 75 G 4.1095 7.3667 108.9129 46.1234 0.0000 170.0206 76 E 5.0985 7.8490 121.6470 54.2136 32.5427 176.7507 77 I 4.4101 8.8399 128.5239 61.8458 37.5613 176.7459 78 V 4.5364 8.8532 120.1375 61.5253 33.3457 175.7295 79 A 4.8325 7.7684 120.5050 51.0646 22.4375 175.4607 80 V 4.8525 8.3214 111.7377 59.0763 36.1617 176.6465 81 N 3.9362 8.3104 122.3294 52.1648 37.5473 175.4044 82 D 4.2884 8.3006 127.2204 55.6596 39.6282 178.0504 83 A 4.0106 7.7400 122.1128 55.0246 18.0368 179.3477 84 L 4.0937 7.6921 116.4862 57.4006 41.6541 179.3089 85 S 4.2645 7.6810 115.0923 61.4441 62.7988 175.6719 86 D 4.6491 7.9403 119.6956 55.4377 42.7033 177.0381 87 S 4.9819 8.3208 113.4086 54.7979 63.3721 173.2713 88 P 4.3293 0.0000 0.0000 65.1576 31.2692 177.9906 89 E 4.0359 8.1939 117.1095 58.6686 29.2716 178.6227 90 L 4.1016 7.9215 121.8146 57.1084 41.3388 179.3615 91 V 3.5961 7.7532 117.8997 65.6549 31.4445 177.6745 92 N 4.9934 8.1240 116.8573 55.8726 38.8598 177.1214 93 S 4.3874 8.1612 115.6142 60.3259 64.5005 173.9780 94 E 4.9562 8.4889 121.1373 53.9325 30.0203 174.3526 95 P 4.2170 0.0000 0.0000 65.4179 31.9152 177.6214 96 Y 4.0580 7.6610 113.3267 57.4093 40.3132 174.9985 97 A 4.6162 8.1497 120.7375 52.3193 18.8991 178.7410 98 G 3.8742 6.4609 114.1054 47.6819 0.0000 174.9122 99 G 3.9914 8.3474 108.8427 44.8852 0.0000 174.0527 100 W 4.5771 8.1290 116.9539 57.1457 28.8047 175.4321 101 I 4.1820 8.7329 120.3183 62.6332 38.8910 175.4668 102 F 5.6805 7.5891 114.3347 55.8973 41.5862 172.7648 103 K 5.1650 9.6078 118.1634 54.6140 35.7834 175.3787 104 I 4.9980 9.0409 124.1059 59.1196 41.6211 174.1786 105 K 4.7317 9.0588 130.9306 54.9814 32.8049 175.4470 106 A 4.8035 8.8101 130.4760 52.2542 18.5460 177.1482 107 S 4.4144 8.8313 116.3126 59.4621 64.5580 174.6803 108 D 4.4878 7.7466 120.0062 52.4667 41.7350 174.8684 109 E 4.1455 8.5834 125.4622 57.6448 29.7138 178.3013 110 S 4.2737 8.0863 115.0421 60.7918 63.0540 175.9786 111 E 4.0615 8.3706 122.4837 58.7501 29.2344 178.7051 112 L 3.9665 7.7027 119.3011 57.5511 41.3920 178.7271 113 E 4.2244 8.0423 116.9429 58.0065 29.5661 178.0334 114 S 4.5576 7.8173 113.9595 57.8255 63.5096 173.5630 115 L 4.7750 6.9376 121.4944 53.0804 43.8532 176.1411 116 L 4.6106 9.0522 121.4404 54.3611 43.3783 176.7799 117 D 5.1919 8.6700 122.0019 52.4103 41.4625 176.9913 118 A 4.0203 8.9908 120.2339 55.7652 18.2102 179.9132 119 T 3.8159 7.9557 107.4482 64.7826 68.8364 176.5468 120 A 3.9872 8.3852 123.6936 55.1122 18.4334 178.9821 121 Y 3.9258 8.3191 118.3317 60.7471 38.9151 177.9416 122 E 3.7706 8.4955 119.6952 59.3985 29.3420 179.2571 123 A 3.9425 7.7051 119.6006 54.9099 18.8259 179.0223 124 L 3.9484 8.0708 119.1979 58.3183 41.6458 179.2341 125 L 3.7507 7.5800 118.8015 57.8165 41.2822 179.4213 126 E 4.0327 7.7993 116.8798 58.8482 29.4212 178.3268 127 D 4.5626 7.5374 117.0078 55.3292 41.3032 176.0321 128 E 4.1132 7.5747 123.5974 56.2842 29.6517 175.9216 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 N 8.42 4.70 0.00 2.78 3.04 0.00 0.00 6.70 6.83 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 3 V 7.69 4.11 2.22 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 0.67 0.00 0.00 1.03 0.00 0.00 4 P 0.00 3.96 0.00 1.80 1.65 0.00 3.10 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.47 0.00 5 A 8.60 4.12 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 6 E 7.90 4.31 0.00 2.05 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 2.14 2.19 0.00 7 L 7.25 4.26 0.00 1.01 1.15 0.28 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.27 4.81 0.00 1.65 1.68 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.54 7.81 9 Y 8.91 5.21 0.00 2.93 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 10 S 8.76 5.11 0.00 3.92 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 11 K 8.84 4.21 0.00 1.78 1.92 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.51 7.81 12 E 8.14 4.52 0.00 2.09 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 2.05 2.37 0.00 13 H 8.32 4.41 0.00 3.57 3.70 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.97 5.08 0.00 2.01 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 2.39 2.30 0.00 15 W 8.38 5.15 0.00 3.08 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 16 L 8.89 5.17 0.00 1.63 1.45 0.88 0.60 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 17 R 9.30 5.01 0.00 2.12 2.00 0.00 3.07 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 18 K 8.83 4.00 0.00 1.59 1.60 0.00 1.23 0.00 0.00 0.67 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 1.26 7.81 19 E 8.69 4.46 0.00 1.96 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 2.10 2.20 0.00 20 A 8.24 3.98 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 21 D 7.95 4.50 0.00 2.73 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 22 G 8.01 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 0.00 0.00 0.00 23 T 7.57 4.36 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 1.20 0.00 0.00 24 Y 8.95 5.09 0.00 2.91 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 25 T 9.00 4.79 4.44 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 1.26 0.00 0.00 26 V 7.76 4.11 0.67 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 0.80 0.00 0.00 0.41 0.00 0.00 27 G 5.55 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 0.00 0.00 0.00 0.00 28 I 8.12 5.13 1.92 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 1.41 0.76 0.92 0.00 0.00 29 T 8.70 4.31 4.62 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 1.53 0.00 0.00 30 E 8.65 3.86 0.00 2.30 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 2.42 2.54 0.00 31 H 8.52 4.18 0.00 3.41 3.52 0.00 5.93 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.18 3.97 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.26 4.00 0.00 2.50 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 34 E 8.08 3.97 0.00 2.18 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 2.36 2.50 0.00 35 L 7.81 4.09 0.00 1.70 1.69 0.80 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.69 4.13 0.00 1.63 1.72 0.92 1.01 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 37 G 8.34 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 0.00 0.00 0.00 38 D 8.46 4.38 0.00 2.72 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 39 M 8.53 4.64 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 40 V 8.69 4.34 2.25 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 0.85 0.00 0.00 0.94 0.00 0.00 41 F 7.84 4.99 0.00 3.08 2.85 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 42 V 7.70 4.28 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 0.62 0.00 0.00 0.77 0.00 0.00 43 D 8.26 4.22 0.00 2.62 2.45 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 0.00 44 L 8.18 4.76 0.00 1.47 1.47 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.37 0.00 1.79 1.82 0.00 3.63 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.02 0.00 46 E 8.41 4.15 0.00 2.03 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 2.34 2.33 0.00 47 V 8.18 3.82 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 0.86 0.00 0.00 0.97 0.00 0.00 48 G 9.15 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 0.00 0.00 0.00 49 A 7.82 4.16 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 50 T 8.39 4.97 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 1.21 0.00 0.00 51 V 8.86 4.68 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 0.69 0.00 0.00 1.01 0.00 0.00 52 S 9.36 4.79 0.00 4.00 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 53 A 8.49 4.14 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 54 G 9.41 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 0.00 0.00 0.00 55 D 8.26 4.73 0.00 2.71 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 56 D 8.85 4.78 0.00 2.44 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 57 C 9.04 4.76 0.00 2.58 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 58 A 7.43 4.67 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 59 V 8.46 4.69 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 1.04 0.00 0.00 0.92 0.00 0.00 60 A 8.90 4.89 1.17 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 0.00 0.00 61 E 9.27 5.11 0.00 2.13 1.90 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 2.26 2.32 0.00 62 S 8.83 5.02 0.00 3.96 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 63 V 8.09 3.53 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 0.72 0.00 0.00 0.94 0.00 0.00 *65 A 7.68 4.32 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 66 A 8.16 5.08 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.18 4.67 0.00 3.86 3.64 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 68 D 8.82 4.75 0.00 2.40 1.91 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 69 I 8.26 4.47 1.89 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 1.19 0.78 0.99 0.00 0.00 70 Y 9.20 5.27 0.00 2.84 2.87 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 71 A 8.94 4.39 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 72 P 0.00 4.48 0.00 1.97 2.08 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 73 V 7.23 4.53 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 0.54 0.00 0.00 0.76 0.00 0.00 74 S 9.62 4.61 0.00 3.90 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 75 G 7.37 4.11 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 0.00 76 E 7.85 5.10 0.00 2.07 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 2.22 2.26 0.00 77 I 8.84 4.41 1.98 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.51 0.92 0.00 0.00 78 V 8.85 4.54 2.12 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 0.73 0.00 0.00 0.98 0.00 0.00 79 A 7.77 4.83 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 4.85 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 0.82 0.00 0.00 0.92 0.00 0.00 81 N 8.31 3.94 0.00 1.44 1.86 0.00 0.00 7.13 8.09 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 82 D 8.30 4.29 0.00 2.96 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 83 A 7.74 4.01 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 84 L 7.69 4.09 0.00 1.50 1.59 0.74 0.65 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 85 S 7.68 4.26 0.00 3.96 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 86 D 7.94 4.65 0.00 2.63 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 87 S 8.32 4.98 0.00 3.95 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 88 P 0.00 4.33 0.00 2.23 2.36 0.00 3.81 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 2.08 2.23 0.00 89 E 8.19 4.04 0.00 2.18 2.25 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 2.36 2.35 0.00 90 L 7.92 4.10 0.00 1.78 1.76 0.90 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 91 V 7.75 3.60 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 0.81 0.00 0.00 0.97 0.00 0.00 92 N 8.12 4.99 0.00 2.88 2.86 0.00 0.00 7.31 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 93 S 8.16 4.39 0.00 4.08 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 94 E 8.49 4.96 0.00 2.12 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 2.25 2.25 0.00 95 P 0.00 4.22 0.00 1.75 2.17 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.00 96 Y 7.66 4.06 0.00 2.79 2.43 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 97 A 8.15 4.62 1.23 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 0.00 0.00 98 G 6.46 3.87 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 0.00 99 G 8.35 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 0.00 100 W 8.13 4.58 0.00 3.68 3.44 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 0.00 101 I 8.73 4.18 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 0.97 0.00 0.00 102 F 7.59 5.68 0.00 3.20 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 0.00 103 K 9.61 5.17 0.00 1.77 1.70 0.00 1.38 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.17 7.81 104 I 9.04 5.00 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 2.04 1.00 0.00 0.00 105 K 9.06 4.73 0.00 1.92 1.74 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.43 7.81 106 A 8.81 4.80 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 0.00 107 S 8.83 4.41 0.00 3.90 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 0.00 108 D 7.75 4.49 0.00 2.73 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 0.00 109 E 8.58 4.15 0.00 2.08 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 2.49 2.44 0.00 110 S 8.09 4.27 0.00 3.99 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 0.00 111 E 8.37 4.06 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 2.31 2.38 0.00 112 L 7.70 3.97 0.00 1.75 1.71 0.98 0.62 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 0.00 113 E 8.04 4.22 0.00 2.07 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 2.45 2.49 0.00 114 S 7.82 4.56 0.00 3.98 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 0.00 115 L 6.94 4.77 0.00 1.70 1.74 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.05 4.61 0.00 1.96 1.76 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.67 5.19 0.00 2.88 2.88 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 0.00 118 A 8.99 4.02 1.53 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 0.00 0.00 119 T 7.96 3.82 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 0.00 120 A 8.39 3.99 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 0.00 121 Y 8.32 3.93 0.00 2.84 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 0.00 122 E 8.50 3.77 0.00 2.15 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 2.28 2.51 0.00 123 A 7.71 3.94 1.32 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 0.00 0.00 124 L 8.07 3.95 0.00 1.74 1.57 0.89 0.70 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 0.00 125 L 7.58 3.75 0.00 1.65 1.46 0.75 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.80 4.03 0.00 2.04 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 2.28 2.45 0.00 127 D 7.54 4.56 0.00 2.77 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 0.00 128 E 7.57 4.11 0.00 1.96 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 2.34 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.