NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4864 8.2893 120.3259 55.7048 33.3787 173.9621 2 R 4.3655 7.8364 115.4315 53.9580 32.0336 172.8074 3 L 4.1281 9.1210 122.3810 55.1334 43.6540 177.4402 4 L 4.4497 8.5694 126.4721 56.8269 42.8646 176.1420 5 H 5.0472 7.4189 109.8138 55.4688 31.2548 172.7643 6 T 4.6112 8.4274 115.5858 61.9302 71.1933 172.9435 7 M 4.8562 8.5805 126.0486 53.8314 33.9757 174.8575 8 L 4.5357 8.4529 125.5331 52.7558 45.6056 175.8783 9 R 4.5024 8.3507 121.9530 55.7300 30.8796 176.2185 10 V 4.7133 8.7690 116.5513 59.6371 34.5863 176.3612 11 G 3.8486 9.3608 111.0932 47.0673 0.0000 173.2144 12 D 4.4738 7.9307 118.5984 51.5203 43.6167 174.7574 13 L 3.9191 8.0556 128.8862 58.7532 42.0110 178.5420 14 Q 4.0415 7.9281 118.5364 58.9657 29.1605 177.9743 15 R 3.9141 8.3718 119.8606 59.6837 30.0903 178.7620 16 S 4.3321 8.2645 114.7199 61.6560 62.8373 176.5050 17 I 3.8155 8.2821 122.9650 64.6647 36.8347 177.9618 18 D 4.4059 8.5312 119.8786 57.4411 40.7022 178.6797 19 F 4.0084 8.1388 120.3130 61.7005 39.4070 176.7015 20 Y 3.9590 8.3611 116.5087 61.1492 37.6011 178.6461 21 T 4.6139 8.1248 112.0707 64.0206 69.1490 177.3087 22 K 3.9638 8.3521 122.2456 58.0658 32.5543 178.6869 23 V 3.7616 7.5129 116.8396 64.7195 31.8608 176.6108 24 L 4.1072 7.3997 116.6766 54.7506 41.8605 177.7607 25 G 3.9374 7.8983 106.4068 45.9858 0.0000 173.5101 26 M 4.2266 7.8982 120.4848 54.3166 34.2686 175.0402 27 K 4.8501 8.6061 118.0509 54.4621 36.2425 176.0809 28 L 4.2938 8.4958 125.3969 55.1271 41.7095 176.3354 29 L 4.4209 9.2328 128.5262 57.0344 42.5619 177.5992 30 R 4.6384 7.4768 112.6243 56.0922 31.7621 173.5549 31 T 5.5039 8.5807 109.5841 60.7131 72.4659 172.5562 32 S 4.9268 9.0054 115.8642 57.5862 66.8948 172.8809 33 E 5.1848 8.6901 117.7379 54.7489 32.8244 174.4414 34 N 4.6956 9.0839 121.6358 51.0434 40.5603 173.0163 35 P 4.2754 0.0000 0.0000 65.5872 32.0404 177.6051 36 E 3.7431 8.1214 118.7122 58.9696 29.3829 176.9547 37 Y 4.3366 8.5212 113.3556 57.1060 39.2325 175.2593 38 K 2.0000 7.2744 119.5024 55.9441 29.6966 173.4488 39 Y 4.7569 5.3700 115.9896 55.7888 42.1565 175.5381 40 S 5.4601 9.8986 115.9779 56.9711 67.2780 173.2432 41 L 5.4096 9.4746 122.0199 53.0322 45.8702 175.4848 42 A 5.0972 8.5392 122.4517 50.4804 22.7082 174.8693 43 F 5.0781 9.7918 122.1590 55.8671 41.2976 175.4085 44 V 4.8681 8.2900 117.0644 59.7693 35.2104 175.1099 45 G 4.1382 8.2975 109.4467 46.3723 0.0000 173.2310 46 Y 4.8442 8.5379 115.5716 57.5614 38.1489 175.5419 47 G 4.1084 7.4043 107.4058 43.8635 0.0000 171.6475 48 P 4.4169 0.0000 0.0000 62.4146 31.4128 177.3399 49 E 4.0713 8.8311 119.7015 59.8231 29.5459 179.6080 50 T 4.0530 7.8742 107.3953 63.5278 69.2182 174.7561 51 E 4.4450 7.4418 121.0962 56.9038 31.0103 175.0581 52 E 4.7289 8.4215 116.0438 54.3403 33.7527 174.1642 53 A 4.6993 8.3554 121.0523 51.8983 20.1338 177.2904 54 V 4.6206 8.5477 113.6078 59.8344 36.4668 173.8626 55 I 4.8192 8.4533 121.2158 59.9883 40.0676 174.6013 56 E 4.2438 9.0462 128.2212 54.3436 31.4969 174.3389 57 L 4.7420 8.5307 128.1965 53.6602 43.6676 175.6423 58 T 4.9538 8.6487 121.2844 61.7995 71.3257 172.6478 59 Y 5.1053 9.2427 128.2934 55.9747 41.3410 173.9121 60 N 4.8931 7.9793 121.9659 51.3170 40.3102 174.9909 61 W 4.3257 8.1347 124.2221 58.7216 29.4613 176.9086 62 G 3.9076 8.9443 111.5341 45.3805 0.0000 173.1113 63 V 4.0315 7.6974 120.4454 61.4373 31.2897 174.7630 64 D 5.2284 8.3813 125.2644 52.0527 40.0046 175.4689 65 K 4.5033 7.0863 119.1850 55.6543 35.0559 173.9782 66 Y 4.6852 8.1269 121.0654 56.4237 42.0724 174.3875 67 E 4.4925 8.6194 120.3863 54.6500 30.0455 176.1524 68 L 3.8226 8.6033 127.1852 56.2006 42.3568 178.1746 69 G 3.9535 8.0437 106.4566 45.0123 0.0000 172.5252 70 T 4.4712 8.2802 105.8513 61.2911 69.8396 175.1376 71 A 4.1035 8.0824 125.2738 55.3034 18.9417 177.4508 72 Y 4.1473 8.0863 115.5703 58.0974 38.6079 175.1426 73 G 3.4266 6.8546 116.3938 44.9318 0.0000 174.7630 74 H 4.4715 6.0114 115.6243 54.6954 31.7631 172.9268 75 I 4.8014 8.0726 118.2015 59.5524 40.3246 174.8522 76 A 5.3163 8.7619 127.0499 50.2248 21.2711 175.6287 77 L 5.0368 9.2570 121.3849 52.7911 45.9937 176.1726 78 S 5.0299 8.5345 115.9493 58.0825 64.6447 173.6615 79 V 4.4405 8.2757 113.6283 60.0376 35.7132 176.4261 80 D 4.1748 8.7757 122.8387 56.7834 41.2570 176.8842 81 N 4.9043 7.7691 117.1608 50.7671 41.2240 174.2309 82 A 3.9408 9.1969 131.2546 55.0703 18.6187 178.7639 83 A 3.9209 8.0212 118.7565 55.3449 18.4144 179.2944 84 E 3.8142 8.8932 117.8377 59.3429 29.7659 178.7214 85 A 3.9441 7.9910 120.7440 55.4473 18.3649 179.1730 86 C 4.0207 8.3970 115.4852 63.1670 27.9783 176.3423 87 E 3.9468 8.0949 119.7890 59.2713 28.8515 179.3264 88 K 3.9371 7.9714 118.3740 59.5551 32.5802 178.5644 89 I 3.9342 8.2795 120.6114 64.4551 36.8846 178.6990 90 R 4.0865 8.1418 115.5307 58.6409 29.1848 177.8221 91 Q 4.5984 7.4928 116.1161 55.2689 29.5604 175.2306 92 N 5.0321 8.2619 117.5943 52.7864 39.5834 175.5055 93 G 3.9814 8.9062 106.2783 44.9674 0.0000 173.4697 94 G 4.3262 7.5236 106.5223 45.1180 0.0000 172.0811 95 N 5.0411 8.4819 116.8695 52.4036 42.9259 174.4762 96 V 4.4648 8.5344 126.6482 62.2371 31.8375 175.0804 97 T 4.3873 8.7887 118.4214 62.5291 70.8274 174.5637 98 R 4.5669 8.4974 122.4157 53.9992 32.6705 174.7709 99 E 4.5272 9.0210 125.8330 56.1688 30.4358 177.0930 100 A 4.2797 8.7764 124.3650 52.3646 18.9971 177.2010 101 G 4.1366 8.5815 109.1752 44.8978 0.0000 170.9784 102 P 5.1264 0.0000 0.0000 62.4814 32.3525 176.4141 103 V 3.9444 8.3960 121.3938 60.6346 32.4008 175.9461 104 K 3.9058 8.6461 122.2088 58.5072 32.2137 177.1610 105 G 3.9065 9.3186 110.6065 45.7077 0.0000 172.5199 106 G 4.2415 8.4119 108.0339 44.3147 0.0000 172.3503 107 T 4.4918 8.1982 106.2628 61.3974 70.5901 174.5023 108 T 3.9757 7.7574 120.5603 63.7448 69.7088 173.3730 109 V 4.5298 8.4262 127.0516 62.3892 33.0690 174.7535 110 I 5.2251 8.8563 120.3310 59.7942 41.7732 173.4321 111 A 5.0218 8.3556 122.2313 51.0780 23.1582 175.2097 112 F 5.1273 9.0876 117.4366 55.9478 42.9580 175.0429 113 V 5.2203 9.1237 115.5190 60.1018 36.9819 173.8135 114 E 5.3765 9.4588 120.2249 54.8652 33.5784 176.7442 115 D 4.1160 8.7642 122.8216 51.3964 41.2759 175.2850 116 P 4.2131 0.0000 0.0000 65.2413 31.2049 177.1023 117 D 4.5739 8.5269 116.3766 53.9511 40.9923 177.3601 118 G 3.9172 8.1090 108.3371 44.9235 0.0000 173.6274 119 Y 4.4660 7.8483 118.1923 57.9977 39.1229 175.4335 120 K 4.8978 9.1027 123.1937 56.3450 33.9957 175.8932 121 I 4.9807 9.2222 124.6305 59.5829 41.3027 173.7590 122 E 4.3598 9.3755 127.9276 54.3045 31.8195 174.2443 123 L 4.9823 8.4568 127.2734 53.1559 44.1914 175.3736 124 I 4.7315 8.4977 125.2786 59.0681 39.7484 174.7494 125 E 4.0292 9.1069 130.0197 56.5654 29.5496 175.4915 126 E 3.3896 9.1347 124.8079 60.1462 29.1113 177.6967 *134 G 3.7624 7.7990 112.1415 45.2954 0.0000 172.2514 135 N 4.4742 8.2671 121.1855 52.8886 37.1948 174.7220 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 8.29 4.49 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 R 7.84 4.37 0.00 1.95 1.85 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 3 L 9.12 4.13 0.00 1.63 1.63 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.57 4.45 0.00 1.54 1.68 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.42 5.05 0.00 3.23 3.33 0.00 5.47 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 6 T 8.43 4.61 4.20 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 1.17 0.00 0.00 7 M 8.58 4.86 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 8 L 8.45 4.54 0.00 1.03 0.47 0.18 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.35 4.50 0.00 0.67 0.90 0.00 2.59 0.00 0.00 2.88 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.30 0.00 10 V 8.77 4.71 2.34 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 0.80 0.00 0.00 1.10 0.00 0.00 11 G 9.36 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 12 D 7.93 4.47 0.00 2.66 2.51 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 13 L 8.06 3.92 0.00 1.70 1.51 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.93 4.04 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 15 R 8.37 3.91 0.00 2.21 2.14 0.00 3.15 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 1.65 1.71 0.00 16 S 8.26 4.33 0.00 4.15 4.17 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 17 I 8.28 3.82 2.05 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 1.56 0.78 0.96 0.00 0.00 18 D 8.53 4.41 0.00 2.95 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 19 F 8.14 4.01 0.00 3.09 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 20 Y 8.36 3.96 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.61 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 1.26 0.00 0.00 22 K 8.35 3.96 0.00 1.84 1.89 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.38 7.81 23 V 7.51 3.76 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 0.43 0.00 0.00 0.84 0.00 0.00 24 L 7.40 4.11 0.00 1.80 1.75 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.90 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 0.00 0.00 0.00 26 M 7.90 4.23 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.96 0.00 27 K 8.61 4.85 0.00 1.66 1.66 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.36 7.81 28 L 8.50 4.29 0.00 1.67 1.63 1.03 1.02 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 29 L 9.23 4.42 0.00 1.66 1.71 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.48 4.64 0.00 1.85 1.96 0.00 2.78 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.56 0.00 31 T 8.58 5.50 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 1.28 0.00 0.00 32 S 9.01 4.93 0.00 3.98 4.08 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 33 E 8.69 5.18 0.00 2.30 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 0.00 2.27 2.44 0.00 34 N 9.08 4.70 0.00 2.10 1.42 0.00 0.00 6.79 7.62 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 35 P 0.00 4.28 0.00 2.25 2.39 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 36 E 8.12 3.74 0.00 1.63 1.63 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 1.47 1.75 0.00 37 Y 8.52 4.34 0.00 3.05 3.09 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 38 K 7.27 2.00 0.00 1.75 1.56 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.24 7.81 39 Y 5.37 4.76 0.00 3.01 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 40 S 9.90 5.46 0.00 4.16 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 41 L 9.47 5.41 0.00 1.64 1.24 1.26 0.55 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 42 A 8.54 5.10 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 43 F 9.79 5.08 0.00 2.93 2.96 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 44 V 8.29 4.87 2.02 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 0.74 0.00 0.00 0.72 0.00 0.00 45 G 8.30 4.14 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 0.00 0.00 0.00 46 Y 8.54 4.84 0.00 3.03 2.96 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 47 G 7.40 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 48 P 0.00 4.42 0.00 2.22 2.19 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 49 E 8.83 4.07 0.00 1.98 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 2.36 2.24 0.00 50 T 7.87 4.05 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 1.19 0.00 0.00 51 E 7.44 4.44 0.00 2.28 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 0.00 2.26 2.25 0.00 52 E 8.42 4.73 0.00 1.90 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 0.00 2.26 2.43 0.00 53 A 8.36 4.70 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 54 V 8.55 4.62 2.36 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 0.77 0.00 0.00 1.10 0.00 0.00 55 I 8.45 4.82 1.54 0.00 0.00 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 1.00 0.62 0.55 0.00 0.00 56 E 9.05 4.24 0.00 1.42 1.45 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 1.65 1.47 0.00 57 L 8.53 4.74 0.00 1.46 1.50 0.85 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.65 4.95 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 1.00 0.00 0.00 59 Y 9.24 5.11 0.00 3.12 3.01 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 60 N 7.98 4.89 0.00 2.71 2.66 0.00 0.00 6.54 7.55 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 61 W 8.13 4.33 0.00 3.32 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 62 G 8.94 3.91 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 0.00 0.00 0.00 63 V 7.70 4.03 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 0.27 0.00 0.00 0.89 0.00 0.00 64 D 8.38 5.23 0.00 2.90 2.94 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 65 K 7.09 4.50 0.00 1.60 1.54 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.46 7.81 66 Y 8.13 4.69 0.00 2.90 2.80 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 67 E 8.62 4.49 0.00 1.98 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 2.24 2.29 0.00 68 L 8.60 3.82 0.00 1.48 1.68 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.04 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 0.00 0.00 0.00 70 T 8.28 4.47 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 71 A 8.08 4.10 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 72 Y 8.09 4.15 0.00 2.96 3.03 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 73 G 6.85 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 0.00 0.00 0.00 0.00 74 H 6.01 4.47 0.00 3.31 3.35 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.07 4.80 2.04 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 1.27 0.84 1.03 0.00 0.00 76 A 8.76 5.32 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 77 L 9.26 5.04 0.00 1.58 1.64 1.14 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.53 5.03 0.00 3.97 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 79 V 8.28 4.44 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 0.96 0.00 0.00 80 D 8.78 4.17 0.00 2.63 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 81 N 7.77 4.90 0.00 2.66 2.62 0.00 0.00 7.08 7.93 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 82 A 9.20 3.94 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 83 A 8.02 3.92 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 84 E 8.89 3.81 0.00 2.01 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 2.29 2.32 0.00 85 A 7.99 3.94 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 86 C 8.40 4.02 0.00 3.22 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 87 E 8.09 3.95 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 88 K 7.97 3.94 0.00 1.81 1.94 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.45 7.81 89 I 8.28 3.93 2.12 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 1.50 0.65 1.16 0.00 0.00 90 R 8.14 4.09 0.00 1.99 2.11 0.00 3.27 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.69 0.00 91 Q 7.49 4.60 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.46 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 92 N 8.26 5.03 0.00 2.80 2.78 0.00 0.00 7.13 7.20 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 93 G 8.91 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 94 G 7.52 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 0.00 0.00 0.00 0.00 95 N 8.48 5.04 0.00 2.86 2.62 0.00 0.00 7.22 7.11 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 96 V 8.53 4.46 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 0.94 0.00 0.00 1.00 0.00 0.00 97 T 8.79 4.39 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 1.25 0.00 0.00 98 R 8.50 4.57 0.00 2.01 2.10 0.00 3.23 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 99 E 9.02 4.53 0.00 1.92 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 2.34 2.29 0.00 100 A 8.78 4.28 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 0.00 101 G 8.58 4.14 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 0.00 0.00 0.00 102 P 0.00 5.13 0.00 2.09 2.07 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 103 V 8.40 3.94 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 0.97 0.00 0.00 0.96 0.00 0.00 104 K 8.65 3.91 0.00 1.78 1.84 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.49 7.81 105 G 9.32 3.91 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 0.00 0.00 0.00 106 G 8.41 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 0.00 107 T 8.20 4.49 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 0.00 108 T 7.76 3.98 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 1.19 0.00 0.00 109 V 8.43 4.53 2.18 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 1.01 0.00 0.00 0.99 0.00 0.00 110 I 8.86 5.23 1.77 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 1.17 0.72 0.87 0.00 0.00 111 A 8.36 5.02 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 0.00 112 F 9.09 5.13 0.00 3.05 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 0.00 113 V 9.12 5.22 2.29 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 0.79 0.00 0.00 1.13 0.00 0.00 114 E 9.46 5.38 0.00 1.84 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 0.00 2.39 2.28 0.00 115 D 8.76 4.12 0.00 2.02 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 0.00 116 P 0.00 4.21 0.00 2.00 2.06 0.00 3.07 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 117 D 8.53 4.57 0.00 2.87 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 0.00 118 G 8.11 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 0.00 119 Y 7.85 4.47 0.00 3.44 3.03 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 0.00 120 K 9.10 4.90 0.00 2.03 1.93 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.64 1.48 7.81 121 I 9.22 4.98 2.02 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.08 1.08 0.00 0.00 122 E 9.38 4.36 0.00 1.32 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 1.71 1.47 0.00 123 L 8.46 4.98 0.00 1.52 1.50 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.50 4.73 1.82 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 1.01 0.58 0.87 0.00 0.00 125 E 9.11 4.03 0.00 2.01 1.83 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 2.29 2.26 0.00 126 E 9.13 3.39 0.00 1.85 1.82 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 2.48 2.54 0.00 *134 G 7.80 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 0.00 0.00 0.00 135 N 8.27 4.47 0.00 2.84 2.82 0.00 0.00 6.15 7.56 0.00 0.00 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.