NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5040 8.1633 118.3337 55.2022 33.3242 173.6525 2 I 4.5702 8.2843 121.9334 59.4732 39.0188 173.7693 3 R 4.5515 9.6835 127.7688 55.2909 32.9212 175.1878 4 T 5.0069 8.3652 118.6429 62.5177 69.8807 174.0098 5 M 5.0224 9.0287 126.2235 52.8266 36.3412 174.8871 6 L 3.3369 8.7412 123.9313 55.6442 41.8524 176.4651 7 Q 4.4844 9.2030 129.4668 58.7162 30.2350 175.6416 8 G 4.1834 7.8881 103.2532 46.6556 0.0000 172.0022 9 K 4.9986 8.6051 118.4296 55.6604 36.6482 174.8620 10 L 4.8988 8.8317 122.4876 53.7018 43.6841 175.4347 11 H 4.4737 9.3447 126.4516 54.6179 30.4768 175.0373 12 R 3.9529 8.0836 127.0592 57.1699 26.7716 176.4653 13 V 3.8598 7.4668 114.2425 61.0814 34.0402 177.9110 14 K 4.9414 8.8338 126.3772 53.6652 33.5182 177.7652 15 V 3.8558 8.6942 124.3342 63.1725 31.9625 176.3225 16 T 4.5516 9.2426 121.7541 62.8202 69.9771 173.9108 17 H 4.9134 8.0155 116.9821 53.5739 33.0482 173.9086 18 A 5.0070 8.2592 124.4717 51.8925 19.2540 176.3490 *19 D 4.7950 9.1579 125.9133 51.9639 41.7458 180.8971 20 L 4.4594 8.8875 126.2628 55.5955 41.0871 174.2522 *21 H 5.0035 7.9665 117.2056 56.3081 28.6302 180.3989 *22 Y 4.4478 8.2026 121.5805 57.5119 38.8805 178.4311 23 E 4.3673 8.5200 112.2858 56.5263 28.6862 181.1639 24 G 4.0501 7.6118 105.4665 45.6665 0.0000 173.1671 25 S 4.4400 8.2788 109.0943 57.6479 65.2191 173.7209 26 A 3.8369 7.5585 122.5089 50.7593 19.8462 175.8879 27 C 4.8232 8.3751 119.1219 57.6788 33.7923 172.4354 28 A 4.9336 8.6351 128.8324 51.0346 20.3914 175.8874 29 I 4.8497 8.5381 123.1137 59.3625 41.4967 174.1095 30 D 4.4764 8.3078 125.6646 54.2179 41.1304 177.3103 31 Q 3.9777 8.8290 127.5806 59.6814 29.0221 178.3971 32 D 4.4273 8.5256 119.8941 57.3618 40.8240 178.8897 33 F 4.5613 8.1713 118.2746 60.6631 39.0823 177.5866 34 L 4.0395 8.1046 118.1468 58.0595 41.0481 179.1423 35 D 4.3880 8.5495 118.7492 57.4962 40.5747 178.8733 36 A 4.0629 7.9142 119.4893 54.5689 18.6151 178.6309 37 A 4.5321 8.2082 117.2596 51.4207 18.9854 178.4576 38 G 4.1120 7.3538 103.1446 45.8275 0.0000 173.9118 39 I 4.3081 7.4899 119.7157 60.3417 38.1715 175.5435 40 L 4.6578 8.9515 124.8169 52.4490 43.4963 175.7607 41 E 4.0557 8.6251 121.6007 58.4563 29.6567 176.9129 42 N 4.5539 9.5405 122.1527 53.5452 37.0624 173.7049 43 E 4.4027 8.1196 120.3533 55.2426 31.0525 175.7901 44 A 4.7757 8.7230 128.3653 52.5056 19.2269 176.6750 45 I 4.8318 8.9638 114.7232 59.2580 41.7041 173.7952 46 D 5.1870 8.8740 123.4401 52.6752 43.4578 175.4275 47 I 4.3752 8.2769 123.1064 59.0015 40.4173 174.3950 48 W 5.0836 8.7210 127.2339 54.8962 31.8585 174.3878 49 N 5.0642 9.3905 125.6481 52.6274 38.6720 175.8030 50 V 3.6523 8.8104 128.3291 66.3405 31.8135 177.8684 51 T 4.1004 8.3908 116.7346 65.9721 68.4430 174.8951 52 N 4.8100 8.3262 114.6417 51.7696 38.2100 175.6138 53 G 4.0149 8.6261 107.4879 45.4971 0.0000 174.2736 54 K 4.3307 8.3537 120.1609 56.6903 33.3260 176.2550 55 R 5.4910 8.6563 122.0858 54.6288 33.5839 174.4528 56 F 5.1038 9.0270 117.6403 56.1389 42.0727 172.9587 57 S 5.0336 8.7242 114.1633 57.2547 66.1093 174.1562 58 T 4.5346 8.6153 119.4200 61.7759 72.3593 171.5232 59 Y 5.2955 8.3106 116.4967 55.1048 42.4460 174.5060 60 A 5.0837 8.8847 122.1945 51.0524 20.7495 176.5042 61 I 5.0824 8.5568 113.8571 58.7022 41.7036 174.4153 62 A 4.6422 9.3092 125.2702 51.9127 19.1290 177.0762 63 A 4.6334 8.7635 123.4559 49.4518 22.2853 175.5730 64 E 4.0121 8.6602 119.0353 56.7093 30.5692 176.6037 65 R 4.1449 8.4363 126.6550 57.7014 30.7058 176.4248 66 G 4.0482 8.4302 114.5587 45.4404 0.0000 174.8268 67 S 4.0790 7.2748 113.0963 59.3641 63.2120 175.3219 68 R 3.7213 8.2278 118.1455 56.7585 28.0613 175.8294 69 I 4.0812 7.0261 118.9204 61.1330 38.7347 175.2699 70 I 4.5994 8.3790 126.0603 59.7410 40.5298 174.0923 71 S 5.0545 9.0448 123.1518 56.1726 64.6119 174.5000 72 V 4.4574 8.3342 120.9182 60.9281 32.3951 175.8202 73 N 4.1795 7.6708 118.3721 54.9698 39.4927 173.3003 74 G 3.8538 8.2714 108.6297 44.2955 0.0000 174.2888 75 A 4.0504 8.8393 120.3062 54.8925 18.4194 179.4010 76 A 3.8807 7.8809 117.3829 53.4918 18.4382 178.8081 77 A 4.0373 7.5740 118.4678 54.4057 18.4969 178.8291 78 H 4.2350 7.7284 113.2188 57.5459 28.8806 175.6356 79 C 4.5670 7.5825 116.1801 59.3914 29.7508 173.6480 80 A 4.8406 7.5027 120.5287 50.8484 21.8850 175.2543 81 S 4.8629 8.9764 116.7446 55.9775 65.9416 174.4403 82 V 4.0435 8.0135 121.8345 63.2200 31.6505 176.3269 83 G 4.0366 9.0573 112.1978 45.3134 0.0000 173.7595 84 D 4.5380 7.8931 120.0335 54.6328 42.1161 175.6977 85 I 4.6705 8.5752 123.7031 60.7395 38.8324 175.4508 86 V 5.0631 8.9872 119.2175 59.7116 36.5264 174.2550 87 I 4.8961 8.7910 122.9904 59.6721 40.0501 174.7812 88 I 4.5960 8.3220 127.0359 59.3293 39.8536 174.5694 89 A 5.0853 8.5329 128.3956 49.9303 22.6633 174.7424 90 S 5.0805 8.4802 113.8797 56.5032 66.7706 172.9266 91 F 5.2752 8.7979 118.2347 55.9186 42.3656 174.6736 92 V 4.6881 8.8376 114.7735 59.7656 35.8192 174.5217 93 T 5.6037 8.2889 111.7433 59.9560 71.1690 173.1250 94 M 4.5595 8.0264 118.2726 53.8110 34.5076 172.2314 95 P 4.6687 0.0000 0.0000 62.6967 32.4713 176.8936 96 D 4.3716 8.9604 121.1636 57.9308 40.7716 178.8834 97 E 3.9689 8.1146 117.5034 59.4674 30.0529 178.1937 98 E 4.1779 8.1799 117.9059 59.2564 29.5537 178.8672 99 A 4.1653 8.2554 120.8584 55.2084 18.1657 179.8127 100 R 4.0731 7.8907 115.5932 58.4451 30.1424 177.5190 101 T 4.5676 7.5252 105.5054 60.3513 69.6654 174.0189 102 W 4.2844 7.8272 132.6049 58.0542 31.1118 175.0669 103 R 4.1478 6.4410 124.1340 53.2458 31.4184 173.2196 104 P 4.5924 0.0000 0.0000 62.9358 32.6674 175.6244 105 N 4.6668 8.9786 119.5964 52.2253 39.7839 174.2393 106 V 4.6424 8.2804 123.7564 60.7452 34.1079 174.2640 107 A 4.5097 8.5905 129.4832 50.2825 21.5171 174.7285 108 Y 4.9353 8.0919 119.5685 56.4024 40.6648 174.8138 109 F 5.3823 8.6863 121.9533 56.4181 42.9186 174.8830 110 E 4.7907 8.9503 118.6800 54.3010 34.2201 178.7223 111 G 3.7085 8.8268 109.7822 47.6835 0.0000 176.7052 112 D 4.5967 8.8291 120.5822 53.5679 39.3553 174.9124 113 N 4.1697 7.9836 114.9469 54.7240 37.0771 175.4172 114 E 4.4712 8.2364 114.1525 55.0234 30.5579 177.9399 115 M 3.9161 8.7319 127.2341 54.6390 33.0573 176.7007 116 K 4.1505 8.2008 126.5004 54.7924 31.8947 173.9889 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 M 8.16 4.50 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 I 8.28 4.57 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.23 0.93 0.00 0.00 3 R 9.68 4.55 0.00 1.69 1.83 0.00 3.28 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 4 T 8.37 5.01 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 1.21 0.00 0.00 5 M 9.03 5.02 0.00 1.87 1.56 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 6 L 8.74 3.34 0.00 1.57 1.65 0.46 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.20 4.48 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 8 G 7.89 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 9 K 8.61 5.00 0.00 1.81 1.74 0.00 1.35 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.29 7.81 10 L 8.83 4.90 0.00 1.49 1.54 0.95 1.07 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 11 H 9.34 4.47 0.00 3.06 3.21 0.00 5.91 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.08 3.95 0.00 2.01 1.98 0.00 3.21 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.24 0.00 13 V 7.47 3.86 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 -0.81 0.00 0.00 0.73 0.00 0.00 14 K 8.83 4.94 0.00 1.49 1.58 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.24 7.81 15 V 8.69 3.86 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 0.90 0.00 0.00 0.97 0.00 0.00 16 T 9.24 4.55 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 1.45 0.00 0.00 17 H 8.02 4.91 0.00 3.06 3.38 0.00 5.91 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 18 A 8.26 5.01 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 *19 D 9.16 4.80 0.00 2.37 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 20 L 8.89 4.46 0.00 1.66 1.60 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 7.97 5.00 0.00 2.90 2.93 0.00 7.13 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 *22 Y 8.20 4.45 0.00 2.30 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 0.00 0.00 0.00 0.00 23 E 8.52 4.37 0.00 2.07 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 0.00 2.08 1.82 0.00 24 G 7.61 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 0.00 0.00 0.00 0.00 25 S 8.28 4.44 0.00 3.98 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 26 A 7.56 3.84 0.53 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 27 C 8.38 4.82 0.00 2.97 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 28 A 8.64 4.93 1.18 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 29 I 8.54 4.85 1.86 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 1.10 0.73 1.01 0.00 0.00 30 D 8.31 4.48 0.00 2.06 1.54 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 31 Q 8.83 3.98 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 32 D 8.53 4.43 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 33 F 8.17 4.56 0.00 3.16 3.10 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 34 L 8.10 4.04 0.00 1.88 1.97 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.55 4.39 0.00 2.92 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 36 A 7.91 4.06 1.37 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 0.00 0.00 37 A 8.21 4.53 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 38 G 7.35 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 39 I 7.49 4.31 1.88 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 1.27 0.75 0.96 0.00 0.00 40 L 8.95 4.66 0.00 1.68 1.58 0.94 0.60 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 41 E 8.63 4.06 0.00 1.92 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 2.33 2.48 0.00 42 N 9.54 4.55 0.00 2.89 2.93 0.00 0.00 7.00 7.52 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 43 E 8.12 4.40 0.00 2.14 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 2.32 2.29 0.00 44 A 8.72 4.78 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 45 I 8.96 4.83 1.72 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 1.20 0.81 0.87 0.00 0.00 46 D 8.87 5.19 0.00 2.04 2.24 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 47 I 8.28 4.38 0.56 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.28 0.66 0.00 0.00 48 W 8.72 5.08 0.00 3.32 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 49 N 9.39 5.06 0.00 2.95 3.04 0.00 0.00 6.41 7.37 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 50 V 8.81 3.65 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 0.83 0.00 0.00 1.00 0.00 0.00 51 T 8.39 4.10 4.42 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 1.23 0.00 0.00 52 N 8.33 4.81 0.00 2.82 2.91 0.00 0.00 7.13 7.09 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 53 G 8.63 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 0.00 0.00 0.00 54 K 8.35 4.33 0.00 1.99 1.91 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.56 7.81 55 R 8.66 5.49 0.00 1.79 2.09 0.00 3.15 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 56 F 9.03 5.10 0.00 3.08 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 57 S 8.72 5.03 0.00 3.80 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 58 T 8.62 4.53 4.37 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 1.21 0.00 0.00 59 Y 8.31 5.30 0.00 3.13 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 60 A 8.88 5.08 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 61 I 8.56 5.08 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.00 1.03 0.00 0.00 62 A 9.31 4.64 1.33 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 0.00 0.00 63 A 8.76 4.63 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 64 E 8.66 4.01 0.00 2.02 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 2.31 0.00 65 R 8.44 4.14 0.00 1.76 1.78 0.00 3.27 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 66 G 8.43 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 0.00 0.00 0.00 0.00 67 S 7.27 4.08 0.00 3.93 3.94 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 0.00 0.00 0.00 68 R 8.23 3.72 0.00 2.01 2.19 0.00 3.38 0.00 0.00 3.48 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 69 I 7.03 4.08 1.74 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 1.15 0.68 0.79 0.00 0.00 70 I 8.38 4.60 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.03 0.89 0.00 0.00 71 S 9.04 5.05 0.00 3.74 3.62 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 72 V 8.33 4.46 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 0.85 0.00 0.00 0.97 0.00 0.00 73 N 7.67 4.18 0.00 2.64 2.80 0.00 0.00 7.02 7.94 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 74 G 8.27 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 75 A 8.84 4.05 1.35 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 76 A 7.88 3.88 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 77 A 7.57 4.04 1.37 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 0.00 0.00 78 H 7.73 4.24 0.00 3.00 3.31 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 7.58 4.57 0.00 1.93 2.42 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 80 A 7.50 4.84 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 81 S 8.98 4.86 0.00 3.85 3.74 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 82 V 8.01 4.04 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 0.68 0.00 0.00 0.92 0.00 0.00 83 G 9.06 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 84 D 7.89 4.54 0.00 2.85 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 85 I 8.58 4.67 1.89 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 1.23 0.73 0.91 0.00 0.00 86 V 8.99 5.06 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 0.95 0.00 0.00 0.93 0.00 0.00 87 I 8.79 4.90 2.16 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 1.07 0.00 0.00 88 I 8.32 4.60 1.74 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 0.96 0.65 0.75 0.00 0.00 89 A 8.53 5.09 0.59 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 0.00 0.00 0.00 0.00 0.00 90 S 8.48 5.08 0.00 4.07 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 91 F 8.80 5.28 0.00 2.86 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 92 V 8.84 4.69 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 0.72 0.00 0.00 0.45 0.00 0.00 93 T 8.29 5.60 4.19 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 1.19 0.00 0.00 94 M 8.03 4.56 0.00 1.83 2.22 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 95 P 0.00 4.67 0.00 2.19 2.02 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 96 D 8.96 4.37 0.00 2.90 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 97 E 8.11 3.97 0.00 2.01 1.98 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 2.32 2.37 0.00 98 E 8.18 4.18 0.00 2.21 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 2.45 2.40 0.00 99 A 8.26 4.17 1.42 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 0.00 100 R 7.89 4.07 0.00 1.99 2.05 0.00 3.13 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 101 T 7.53 4.57 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 1.24 0.00 0.00 102 W 7.83 4.28 0.00 3.38 3.25 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 0.00 103 R 6.44 4.15 0.00 1.46 1.24 0.00 3.12 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.38 0.00 104 P 0.00 4.59 0.00 2.07 2.27 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 105 N 8.98 4.67 0.00 2.73 2.95 0.00 0.00 6.67 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 0.00 106 V 8.28 4.64 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 -0.04 0.00 0.00 0.83 0.00 0.00 107 A 8.59 4.51 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 0.00 108 Y 8.09 4.94 0.00 2.82 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 0.00 109 F 8.69 5.38 0.00 3.08 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 0.00 110 E 8.95 4.79 0.00 1.60 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 2.12 2.10 0.00 111 G 8.83 3.71 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 0.00 0.00 0.00 112 D 8.83 4.60 0.00 2.66 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 0.00 113 N 7.98 4.17 0.00 3.03 3.07 0.00 0.00 7.10 7.66 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 0.00 114 E 8.24 4.47 0.00 1.91 1.84 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 2.22 2.11 0.00 115 M 8.73 3.92 0.00 1.85 1.80 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 1.52 2.14 0.00 116 K 8.20 4.15 0.00 1.83 1.55 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.