NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2442 0.0000 0.0000 62.5334 32.5529 175.4469 3 R 4.1133 8.4339 122.0878 54.4427 30.2258 174.7921 4 A 4.3984 8.0736 131.0816 50.2222 18.2928 176.1523 5 K 4.2115 7.8656 120.3132 56.3662 33.6778 178.3216 6 T 3.9088 8.4889 116.5216 66.5486 69.4616 176.4289 7 G 3.7139 7.7191 109.5066 46.4349 0.0000 175.0091 8 V 3.5457 8.9591 121.5430 66.7229 31.3770 179.7442 9 V 2.6548 6.3449 113.3197 62.2490 34.6855 176.9628 10 R 3.8062 8.4302 117.5499 59.8107 30.2892 178.0367 11 R 3.9440 7.6745 118.0192 59.6877 30.0026 178.3493 12 R 3.8920 7.9772 116.9546 59.5000 29.6980 178.7639 13 K 3.8464 8.0188 117.9814 60.0736 32.1311 179.1315 14 H 4.1597 8.1951 116.1437 58.8465 28.6855 177.7810 15 K 3.9295 8.3251 120.5361 59.3791 31.6003 179.0330 16 K 3.8254 7.8230 117.7818 60.0273 31.9973 178.8106 17 I 3.7667 7.3195 119.0095 64.5105 36.9534 178.3522 18 L 3.8392 7.8816 119.2877 58.1437 41.2588 179.9526 19 K 3.8922 8.1304 117.3912 58.7095 31.8118 178.6836 20 L 4.2073 8.9739 119.8618 56.6278 42.0467 178.0999 21 A 3.6310 7.2480 118.2724 51.3032 18.2505 177.2121 22 K 3.7387 6.6012 117.0785 58.3414 32.5892 176.2798 23 G 4.0619 8.9022 111.0427 45.7629 0.0000 173.3109 24 Y 4.7980 7.0028 115.7348 57.5207 40.0547 178.2174 25 W 4.5818 9.4532 133.3306 58.8943 30.9088 177.6164 26 G 4.3350 9.4102 114.1939 44.9431 0.0000 175.9116 27 L 4.2691 8.8411 126.3898 55.4588 41.4896 178.4161 28 R 4.1047 8.0555 119.3414 58.3656 30.1227 177.6391 29 S 4.7745 8.1038 109.0540 57.4389 64.4592 174.4234 30 K 4.2415 7.9182 119.8342 57.8126 33.7923 176.4376 31 S 4.2093 8.3378 117.7887 58.2148 62.0912 175.2175 *32 F 4.2674 8.6741 124.0649 57.7263 37.8727 171.8483 33 R 4.7443 8.8266 116.7229 57.3464 34.3849 177.5882 34 K 3.9642 8.2515 117.9338 59.0086 31.9032 178.8427 35 A 4.6819 7.9763 121.9437 54.6734 18.0974 179.0487 36 R 3.5021 7.8392 115.0297 59.7242 30.2821 177.6600 37 E 4.0909 7.9471 117.7783 60.0024 29.4739 179.4168 38 T 3.7718 7.8421 115.2810 66.9510 68.4472 176.5560 39 L 4.0241 7.8017 120.3947 57.5770 41.4916 179.4193 40 F 4.6572 7.6186 117.6539 60.6306 38.7936 177.3239 41 A 3.5748 7.9992 119.2024 55.0392 18.2531 178.9079 42 A 4.3196 8.0029 119.5920 55.5896 18.5047 179.7359 43 G 3.7453 8.8058 104.6648 48.4207 0.0000 175.4278 44 N 4.4049 8.2563 119.5059 55.8299 38.3413 176.9410 45 Y 4.3605 8.6808 119.0425 61.4584 38.1909 178.8608 46 A 3.8026 8.3005 121.2810 55.1782 18.2618 179.1941 47 Y 3.9636 7.9917 117.6738 60.8028 38.9832 177.9239 48 A 3.8874 8.5099 122.0057 55.6407 18.5858 179.4111 49 H 4.2654 9.1464 115.4536 58.4665 28.1905 178.1203 50 R 3.7742 7.6929 120.8060 59.4168 29.8476 178.6112 51 K 3.5583 7.3011 116.8957 59.2437 32.1398 179.2861 52 R 3.9272 8.0159 118.9190 58.9021 29.9952 178.6286 53 R 3.6260 7.8788 119.7768 59.1407 29.9465 178.1487 54 K 3.7291 7.2448 118.0229 59.4715 32.2582 178.5172 55 R 4.2530 8.0569 114.1609 57.1334 29.8060 177.8351 56 D 4.3974 7.9222 120.3865 56.5423 40.7462 178.0006 57 F 4.1796 7.4793 117.5523 59.4343 39.0995 177.9256 58 R 3.7523 7.1144 117.6218 59.7919 29.8653 178.3803 59 R 3.9377 7.6032 117.0210 58.5393 30.0965 177.9299 60 L 3.8057 7.8639 119.7874 58.7660 42.0154 178.9608 61 W 4.4198 8.3973 119.0295 59.1792 28.9233 178.8951 62 I 3.6693 7.9242 118.2417 64.3288 36.6463 177.9947 63 V 3.5167 7.7144 118.9893 66.2535 31.2547 177.8221 64 R 3.9148 7.7819 117.1280 60.3462 30.0046 178.2776 65 I 3.5863 8.3813 118.2485 64.8813 37.0701 177.6487 66 N 4.3406 9.3763 116.9785 57.1835 38.9647 176.6730 67 A 4.0061 8.3619 121.7058 55.4354 18.5926 179.2054 68 A 4.0910 8.3605 119.4012 55.2580 18.5582 178.9870 69 C 4.4332 8.7678 111.4402 59.4310 29.9920 175.4136 70 R 5.0343 8.6053 123.2520 58.1232 29.7541 176.9212 71 Q 4.5556 7.4957 115.6066 56.2853 28.9648 175.3534 72 H 4.8838 8.0109 116.9353 56.1689 29.0959 174.9536 73 G 4.2893 8.1367 115.4533 45.4639 0.0000 176.6997 74 L 4.3566 7.4728 118.7316 53.9657 42.8067 174.8493 75 N 5.2539 8.2052 115.7798 50.9791 41.1958 174.2498 76 Y 4.1922 8.7810 120.1718 61.0885 38.2839 177.9542 77 S 4.2210 8.4489 115.3888 62.5061 63.0768 176.7762 78 T 3.9564 8.9945 118.4348 67.2495 68.1768 176.1495 79 F 4.0126 8.6088 119.6356 61.7052 39.5287 177.3540 80 I 2.9368 7.6767 118.6116 64.7155 36.9813 177.9461 81 H 4.2501 7.8115 118.0899 59.1560 29.7692 177.4843 82 G 3.5565 8.4526 107.8810 47.6599 0.0000 174.9046 83 L 3.9279 8.4782 123.7826 57.8228 41.7380 179.1316 84 K 3.8031 7.8770 117.9293 59.5011 32.3248 178.0080 85 K 3.8839 9.8700 118.0393 60.1491 32.0286 177.3454 86 A 4.1393 8.3134 120.6233 50.0159 19.3172 176.2384 87 G 3.3588 5.5178 112.9124 43.6621 0.0000 172.2102 88 I 4.3391 6.9979 114.7110 59.6783 39.2322 176.6365 89 E 3.9834 8.7935 125.4523 57.4347 29.4074 177.5549 90 V 3.6346 7.2213 119.1095 63.5494 32.1604 175.0138 91 D 4.4950 8.8569 123.7450 55.7124 40.9570 173.0069 92 R 3.0603 7.7877 114.0778 60.4497 28.5244 178.5847 93 K 3.9679 7.6593 118.1113 58.5028 33.8782 176.4389 94 N 2.0000 7.7455 120.5813 55.7599 38.7316 175.6025 95 L 4.0509 7.9106 115.4909 55.0618 42.2673 176.9466 96 A 4.8229 7.8229 124.4455 51.4929 18.0303 177.6030 97 D 4.6863 7.3691 120.7914 53.3431 41.4226 178.9511 98 L 4.3505 7.7749 118.9250 57.3302 41.7222 178.3267 99 A 3.3282 7.5636 120.0866 54.2707 17.9605 177.6218 100 V 3.9585 7.9173 114.6542 64.1851 33.0364 175.5999 101 R 4.1810 7.5545 117.6913 56.2909 31.4152 176.1844 102 E 4.4496 9.0739 121.6534 57.4608 25.8326 174.1917 103 P 4.5114 0.0000 0.0000 65.8003 31.8987 177.9383 104 Q 4.0521 8.1794 117.9550 59.0290 28.5958 178.9297 105 V 3.6273 7.6939 119.1452 65.7281 31.5682 177.6459 106 F 4.2173 8.3747 119.7836 61.4029 39.2880 176.5042 107 A 3.8428 8.6485 120.4174 55.6389 18.1461 178.8290 108 E 3.7751 8.0309 116.4558 59.7756 29.5265 179.4891 109 L 3.8618 8.4018 118.7058 58.4126 41.8877 179.5058 110 V 2.9352 7.4959 117.6064 66.5312 31.2320 177.3608 111 E 3.8014 8.0115 116.8808 59.8881 29.2686 179.7070 112 R 3.8742 7.7998 117.2823 59.3502 30.3625 178.6084 113 A 4.2852 8.0407 120.5990 54.6321 18.7801 179.2709 114 K 4.2340 8.3237 113.0077 58.1964 32.5288 177.9146 115 A 4.3298 7.9308 122.2833 53.1947 19.5015 177.6115 116 A 4.6434 7.9688 120.3866 52.8460 19.4390 177.4702 117 Q 4.4339 8.3633 117.6924 56.4681 30.7919 176.5326 118 G 4.0052 8.1992 111.9691 45.6062 0.0000 173.4060 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 P 0.00 4.24 0.00 2.19 2.12 0.00 3.71 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 1.88 1.96 0.00 3 R 8.43 4.11 0.00 1.86 1.89 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 4 A 8.07 4.40 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 5 K 7.87 4.21 0.00 1.88 1.83 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 6 T 8.49 3.91 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 7 G 7.72 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 8 V 8.96 3.55 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 6.34 2.65 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 0.88 0.00 0.00 0.95 0.00 0.00 10 R 8.43 3.81 0.00 1.90 1.95 0.00 3.30 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 11 R 7.67 3.94 0.00 1.90 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 1.70 0.00 12 R 7.98 3.89 0.00 2.15 1.96 0.00 3.20 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 13 K 8.02 3.85 0.00 1.78 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.61 7.81 14 H 8.20 4.16 0.00 3.49 3.31 0.00 5.65 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 15 K 8.33 3.93 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.71 7.81 16 K 7.82 3.83 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.69 7.81 17 I 7.32 3.77 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 1.71 1.10 0.85 0.00 0.00 18 L 7.88 3.84 0.00 1.83 1.72 0.90 0.77 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 19 K 8.13 3.89 0.00 1.89 1.83 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.67 7.81 20 L 8.97 4.21 0.00 1.66 1.64 0.89 0.78 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 21 A 7.25 3.63 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.60 3.74 0.00 1.61 1.69 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 23 G 8.90 4.06 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 0.00 24 Y 7.00 4.80 0.00 3.11 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 25 W 9.45 4.58 0.00 3.34 2.74 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 26 G 9.41 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 27 L 8.84 4.27 0.00 1.76 1.72 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.06 4.10 0.00 2.06 2.12 0.00 3.18 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 29 S 8.10 4.77 0.00 4.01 4.03 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 30 K 7.92 4.24 0.00 1.73 1.85 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.29 7.81 31 S 8.34 4.21 0.00 3.84 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 *32 F 8.67 4.27 0.00 2.34 2.17 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 33 R 8.83 4.74 0.00 1.89 2.13 0.00 2.77 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 34 K 8.25 3.96 0.00 2.04 1.94 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.63 7.81 35 A 7.98 4.68 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 36 R 7.84 3.50 0.00 1.69 2.04 0.00 3.30 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.28 0.00 37 E 7.95 4.09 0.00 2.26 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 2.46 2.52 0.00 38 T 7.84 3.77 4.38 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 0.54 0.00 0.00 39 L 7.80 4.02 0.00 1.64 1.67 0.88 1.28 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 40 F 7.62 4.66 0.00 3.27 2.92 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 41 A 8.00 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.00 4.32 1.47 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 0.00 0.00 43 G 8.81 3.75 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 0.00 0.00 0.00 44 N 8.26 4.40 0.00 2.70 2.86 0.00 0.00 7.13 7.06 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 45 Y 8.68 4.36 0.00 3.11 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 46 A 8.30 3.80 1.47 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 0.00 0.00 47 Y 7.99 3.96 0.00 3.14 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 48 A 8.51 3.89 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 49 H 9.15 4.27 0.00 3.13 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.69 3.77 0.00 2.24 1.80 0.00 3.05 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 51 K 7.30 3.56 0.00 1.67 1.73 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.14 1.08 7.81 52 R 8.02 3.93 0.00 1.90 2.04 0.00 3.26 0.00 0.00 3.03 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 53 R 7.88 3.63 0.00 1.72 1.88 0.00 2.95 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.83 0.00 54 K 7.24 3.73 0.00 1.68 1.84 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.56 7.81 55 R 8.06 4.25 0.00 1.93 2.10 0.00 2.72 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 56 D 7.92 4.40 0.00 2.43 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 57 F 7.48 4.18 0.00 2.26 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 0.00 0.00 0.00 58 R 7.11 3.75 0.00 1.85 2.05 0.00 3.09 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 59 R 7.60 3.94 0.00 1.86 1.97 0.00 3.08 0.00 0.00 3.04 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 60 L 7.86 3.81 0.00 1.74 1.36 0.80 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.40 4.42 0.00 3.51 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 62 I 7.92 3.67 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.75 0.20 0.00 0.00 63 V 7.71 3.52 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 1.09 0.00 0.00 0.91 0.00 0.00 64 R 7.78 3.91 0.00 2.26 1.99 0.00 3.26 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 65 I 8.38 3.59 2.40 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 1.45 0.00 0.00 66 N 9.38 4.34 0.00 2.97 3.09 0.00 0.00 7.24 8.21 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 67 A 8.36 4.01 1.39 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 0.00 0.00 0.00 68 A 8.36 4.09 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 69 C 8.77 4.43 0.00 2.77 3.37 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 70 R 8.61 5.03 0.00 2.10 2.19 0.00 3.14 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 1.68 1.55 0.00 71 Q 7.50 4.56 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.17 0.00 0.00 0.00 0.00 0.00 2.59 2.37 0.00 72 H 8.01 4.88 0.00 2.99 3.15 0.00 5.64 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 73 G 8.14 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 0.00 0.00 0.00 0.00 74 L 7.47 4.36 0.00 1.91 1.85 0.86 0.20 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 75 N 8.21 5.25 0.00 3.01 3.04 0.00 0.00 5.59 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 76 Y 8.78 4.19 0.00 3.42 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 77 S 8.45 4.22 0.00 4.00 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 78 T 8.99 3.96 4.47 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 1.30 0.00 0.00 79 F 8.61 4.01 0.00 3.04 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 80 I 7.68 2.94 1.44 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 -0.36 0.69 0.00 0.00 81 H 7.81 4.25 0.00 3.21 3.49 0.00 5.79 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 82 G 8.45 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.48 3.93 0.00 1.78 1.58 1.11 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.88 3.80 0.00 1.92 1.92 0.00 1.76 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.47 7.81 85 K 9.87 3.88 0.00 1.56 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.49 7.81 86 A 8.31 4.14 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 87 G 5.52 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.00 4.34 1.86 0.00 0.00 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 1.39 0.69 0.90 0.00 0.00 89 E 8.79 3.98 0.00 2.00 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 0.00 2.39 2.24 0.00 90 V 7.22 3.63 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 0.72 0.00 0.00 0.92 0.00 0.00 91 D 8.86 4.50 0.00 2.95 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 3.06 0.00 2.02 1.73 0.00 3.12 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 93 K 7.66 3.97 0.00 2.16 2.56 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.35 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.75 1.70 7.81 94 N 7.75 2.00 0.00 1.44 2.28 0.00 0.00 7.40 7.35 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 95 L 7.91 4.05 0.00 1.77 1.58 0.83 0.84 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 96 A 7.82 4.82 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.37 4.69 0.00 2.74 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 98 L 7.77 4.35 0.00 1.71 1.87 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.56 3.33 0.37 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 0.00 100 V 7.92 3.96 2.15 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 0.78 0.00 0.00 0.85 0.00 0.00 101 R 7.55 4.18 0.00 1.88 1.82 0.00 3.25 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 102 E 9.07 4.45 0.00 2.20 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 0.00 2.27 2.19 0.00 103 P 0.00 4.51 0.00 2.33 2.34 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 104 Q 8.18 4.05 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 105 V 7.69 3.63 2.27 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 0.99 0.00 0.00 0.96 0.00 0.00 106 F 8.37 4.22 0.00 3.12 3.26 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 0.00 107 A 8.65 3.84 1.39 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 0.00 0.00 0.00 108 E 8.03 3.78 0.00 2.17 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 2.32 2.52 0.00 109 L 8.40 3.86 0.00 1.68 1.80 1.08 0.90 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 0.00 110 V 7.50 2.94 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 0.71 0.00 0.00 0.16 0.00 0.00 111 E 8.01 3.80 0.00 2.12 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 2.38 2.44 0.00 112 R 7.80 3.87 0.00 1.94 2.03 0.00 3.29 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 113 A 8.04 4.29 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 0.00 0.00 114 K 8.32 4.23 0.00 1.84 1.89 0.00 1.49 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.41 7.81 115 A 7.93 4.33 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 0.00 116 A 7.97 4.64 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 0.00 117 Q 8.36 4.43 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 118 G 8.20 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 * Residues marked with a * may have inaccurate shift predictions.